A0A3Q0KNA3_SCHMA Loading...

Putative double-stranded rna-binding protein zn72d

AlphaFold DB , UniProt , Accession A0A3Q0KNA3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 958 aa.

						>A0A3Q0KNA3_SCHMA|A0A3Q0KNA3
MNQFGHQYNVQPPPTFYTSDMNSFGSAVQRPEHRSFSFEVPPQDFQSTPPLRSDSGYSLCPSQYYSRPGIVPSTDETCVNFAEQLPTTSEVNENRNVVLDYQNQFGLRVPPEIPSWMTLNSSANHFYTDIQKYTSQPNPTPQSVYTGIPVHYNRTPENSTFQNRGRVRTPGPFKGNRGSLRNRPNQGTHAGNTTSTTTTTKEPSVFYCDICKVSCAGPLAFKDHESGQRHKKRLSQVEAIEKLKQEVSNDGNSSLIINSASRELRCELCDVGCTGADSYTAHLSGRQHQRTLKLHKELGKPIPETDDPLVPAIVADMIATAVDDAKPGEADENKTNPTENTFMKHIDLKQLTGPELPAVGQEYLETIINSNSKTVKYRCKLCDCEFSNPDSRECHLRGRRHRQQYKKKVDPSFIVDPNPGNQLRRKVIAAKEKKAKRNEPKQNTSSFPSFSTLRNSNMTGNCMIGIPYDRISAQVPRIYTPQTTNKSLESRYISSKHTSLLPTAWEVQAMMLAVTICERSLKCVSNYILKQVRSKLDLCDTTIFAKSCDDDNNLNESEEKVGERLLCGVVRVGALGKNLLLRGEHSAELVLICSKWPTKELTSYVSTSITKLMESLESRLQYTVTAEPTMGTITVVVSCSDPSLLNKSDISEVNLKPACKENESAIWPTITLVINLTSPVVVQKNEDAPEDKNEIPPVIQRLIVNGHPIPKEKCIKSIDALDHASWFQHITSGGPILLISRILRDFIQSNEYWIELNEFDVEVHLDHLLSLEYNMMRNMLSVPSDFFHPCKLLRRFFESMANGYLFFAIKHSSNSNNTEDSPRENNIPVACTKPFYVTISNGISDEVCEKITVSAQQIVRQIAFNQLYKVLGMEPLNSPQNSDFVQSGGKREQNSDVSQGQNTSEVECSTDDMKQHNNASVANGTETQECTTEALKIESECTPAKRTRLVTANSKSSI
					

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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	38.6	Very low	34.7	Very low	242 Å²	242	168.1 Å²	168.1	100%	1.192	84%	0.837	S	S	*	*				0	109.2	0	-83.5	168.2	157.6	0	0	106.5
2	N	28.3	Very low	34.9	Very low	149 Å²	149	164.2 Å²	164.2	80%	0.797	83%	0.833	S	S	*	*			trans	-104.4	165.9	176.1	-68.3	0.7	0	0	0	108.7
3	Q	35.2	Very low	35.6	Very low	171 Å²	171	160.8 Å²	160.8	80%	0.799	83%	0.829	S	S	*	*			trans	67.8	140.3	-179.6	-53	164.4	-5.5	0	0	112.4
4	F	38	Very low	35.7	Very low	190 Å²	190	157 Å²	157	83%	0.833	82%	0.819	S	S	*	*			cis	-112.2	157	6.7	-75.7	-106.5	0	0	0	111.9
5	G	32.2	Very low	35.7	Very low	65 Å²	65	155.5 Å²	155.5	67%	0.67	82%	0.82	S	S	*	*			trans	-125.2	155.1	162.3	0	0	0	0	0	109.7
6	H	38.9	Very low	35.8	Very low	181 Å²	181	158.1 Å²	158.1	84%	0.838	82%	0.823	S	S	*	*			trans	-132.1	148.6	159.7	-96	-69	0	0	0	109.2
7	Q	36.2	Very low	35.6	Very low	167 Å²	167	157.4 Å²	157.4	78%	0.78	81%	0.808	S	S	*	*			trans	-83.5	140.2	-167.8	-59.7	140.4	-63.5	0	0	111.4
8	Y	33.3	Very low	35.6	Very low	240 Å²	240	155.3 Å²	155.3	94%	0.941	80%	0.804	S	S	*	*			trans	-130.5	126	141.7	-86.7	-80.8	0	0	0	108
9	N	30.5	Very low	35.6	Very low	146 Å²	146	152 Å²	152	78%	0.781	80%	0.796	S	S	*	*			trans	-126.7	118	-177.2	-179.4	21.7	0	0	0	107.8
10	V	35.4	Very low	35.6	Very low	131 Å²	131	150.5 Å²	150.5	79%	0.794	79%	0.788	S	S	*	*			trans	-138.5	136.9	175.8	-176	0	0	0	0	107.8
11	Q	35.3	Very low	35.7	Very low	167 Å²	167	149.3 Å²	149.3	78%	0.78	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-85.4	157	-161.1	-61	154.8	-76.5	0	0	113.6
12	P	36.4	Very low	35.5	Very low	121 Å²	121	144.3 Å²	144.3	79%	0.786	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-77.2	141.3	157.6	33.3	-32.3	0	0	0	111.1
13	P	44.6	Very low	35.8	Very low	121 Å²	121	141.2 Å²	141.2	79%	0.786	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-77.1	161	168	32.4	-33.5	0	0	0	111.9
14	P	37.6	Very low	35.8	Very low	107 Å²	107	142.9 Å²	142.9	70%	0.695	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-96.4	157.8	-155.3	36.7	-37.2	0	0	0	115.9	F16	P14-F16 HydrophobicContact CG-CE2 4.4Å
15	T	34.3	Very low	35.6	Very low	135 Å²	135	136.9 Å²	136.9	83%	0.828	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-75.4	133.6	160.8	47.5	0	0	0	0	111.2
16	F	37.5	Very low	35.7	Very low	196 Å²	196	140.1 Å²	140.1	86%	0.86	76%	0.757	S	S	*	*			trans	-113.8	142.8	159.9	-93.2	-91.7	0	0	0	109.5	P14	P14-F16 HydrophobicContact CG-CE2 4.4Å
17	Y	32.3	Very low	35.3	Very low	147 Å²	147	135.5 Å²	135.5	58%	0.576	75%	0.751	S	S	*	*			trans	-135	142.1	178.4	-126.3	-77.7	0	0	0	107.3	T931	Y17-T931 WeakPolarHBondContact CE2-OG1 3.39Å; Y17-T931 WeakPolarHBondContact OH-CG2 3.35Å; Y17-T931 PolarHBondContact OH-OG1 2.96Å; Y17-T931 VanDerWaalsContact OH-OG1 3.09Å
18	T	36.4	Very low	35.3	Very low	119 Å²	119	133.1 Å²	133.1	73%	0.73	75%	0.747	S	S	*	*			trans	155.1	127.2	143	46.4	0	0	0	0	111.7
19	S	36	Very low	35.4	Very low	93 Å²	93	130.5 Å²	130.5	65%	0.65	74%	0.744	S	S	*	*			trans	35.6	138	134.8	70.7	0	0	0	0	121.4
20	D	35.9	Very low	35.4	Very low	122 Å²	122	133.7 Å²	133.7	65%	0.652	75%	0.745	S	S	*	*			cis	-173.6	177.8	-10.9	-141.4	-28.1	0	0	0	112.1
21	M	36.8	Very low	35.4	Very low	126 Å²	126	133.7 Å²	133.7	62%	0.621	75%	0.747	S	S	*	*			trans	63.6	121.7	156.8	-65.2	-64.8	104.4	0	0	121
22	N	34	Very low	35	Very low	137 Å²	137	132.7 Å²	132.7	73%	0.733	74%	0.743	S	S	*	*				39.9	138.9	126.9	-54.2	-20.4	0	0	0	119.8
23	S	35.8	Very low	34.9	Very low	84 Å²	84	134.4 Å²	134.4	59%	0.587	74%	0.74	S	S	*	*			cis	-174.9	164.4	24.1	-143.3	0	0	0	0	110.7
24	F	35	Very low	34.3	Very low	206 Å²	206	138.2 Å²	138.2	90%	0.904	74%	0.739	S	S	*	*			trans	42.4	133.7	164.4	-55.6	-72.2	0	0	0	119.3
25	G	32.4	Very low	33.8	Very low	63 Å²	63	138.4 Å²	138.4	65%	0.649	74%	0.742	S	S	*	*			cis	142.5	148.9	10.1	0	0	0	0	0	109.5
26	S	34.1	Very low	33.6	Very low	133 Å²	133	142.2 Å²	142.2	93%	0.93	75%	0.748	S	S	*	*			trans	63.1	145.2	-176.1	-54	0	0	0	0	115.3
27	A	31.4	Very low	33.1	Very low	85 Å²	85	137.7 Å²	137.7	70%	0.702	74%	0.741	S	S	*	*			cis	172.7	-165.3	-12	0	0	0	0	0	104.9
28	V	35.5	Very low	32.9	Very low	117 Å²	117	139.9 Å²	139.9	71%	0.709	75%	0.753	S	S	*	*			trans	84.8	99.5	159.5	-167.6	0	0	0	0	118.4
29	Q	36.4	Very low	32.5	Very low	184 Å²	184	142.8 Å²	142.8	86%	0.86	76%	0.759	S	S	*	*			trans	73.9	126.1	140.9	-66.1	167.1	-14.2	0	0	122.6
30	R	30.2	Very low	32.4	Very low	214 Å²	214	143.9 Å²	143.9	81%	0.808	76%	0.761	S	S	*	*			trans	-74	164.1	152.7	-60.1	180	176	179.4	-1.1	110.1
31	P	36	Very low	32.2	Very low	130 Å²	130	143 Å²	143	84%	0.844	76%	0.762	S	S	*	*				-140.1	177	94.5	37.2	-23.2	0	0	0	114.9
32	E	27.4	Very low	31.9	Very low	147 Å²	147	143 Å²	143	69%	0.687	77%	0.771	S	S	*	*			trans	-91.3	157.8	-177.4	-53.8	171.7	177.1	0	0	112.7
33	H	32.3	Very low	31.9	Very low	157 Å²	157	145.3 Å²	145.3	73%	0.727	78%	0.778	S	S	*	*				-177.4	154.8	122.3	-112.1	-37.4	0	0	0	117
34	R	32.2	Very low	31.6	Very low	201 Å²	201	148.7 Å²	148.7	76%	0.758	79%	0.789	S	S	*	*			trans	70.7	86.9	146.2	-71	168.5	-168.9	-141.8	-1.9	120
35	S	27.4	Very low	31.4	Very low	110 Å²	110	149 Å²	149	77%	0.769	79%	0.791	S	S	*	*				14.9	130.3	113.6	-34.7	0	0	0	0	119
36	F	30.1	Very low	31.2	Very low	215 Å²	215	154.1 Å²	154.1	94%	0.943	80%	0.798	S	S	*	*			trans	-124.9	109.6	149	-106.4	-89.2	0	0	0	109.1
37	S	27.6	Very low	30.8	Very low	102 Å²	102	152.6 Å²	152.6	71%	0.713	79%	0.787	S	S	*	*			trans	-85.1	143.4	168.8	-58.9	0	0	0	0	109.5
38	F	29	Very low	30.7	Very low	192 Å²	192	155.3 Å²	155.3	84%	0.842	80%	0.795	S	S	*	*			trans	-115.7	87.7	168.9	-159.8	-90.6	0	0	0	109.1	V40	F38-V40 HydrophobicContact CD1-CG2 3.86Å; F38-V40 HydrophobicContact CE1-CG2 3.75Å
39	E	27.5	Very low	30.7	Very low	181 Å²	181	155.2 Å²	155.2	85%	0.846	80%	0.797	S	S	*	*			trans	-76.6	142.6	171	-67.6	-176.8	122.6	0	0	110.2
40	V	34.2	Very low	30.7	Very low	116 Å²	116	151.7 Å²	151.7	70%	0.703	79%	0.79	S	S	*	*			trans	-122.4	129.9	171.2	179.8	0	0	0	0	106.9	F38	F38-V40 HydrophobicContact CD1-CG2 3.86Å; F38-V40 HydrophobicContact CE1-CG2 3.75Å
41	P	31.1	Very low	30.6	Very low	104 Å²	104	149.5 Å²	149.5	68%	0.675	79%	0.793	S	S	*	*			trans	-84.1	160.3	-152.6	32.1	-38	0	0	0	114.6
42	P	30.2	Very low	30.2	Very low	124 Å²	124	153 Å²	153	81%	0.805	79%	0.79	S	S	*	*			trans	-74.8	140.9	172.4	32.2	-34.8	0	0	0	111.7
43	Q	34.7	Very low	30.3	Very low	186 Å²	186	151.5 Å²	151.5	87%	0.869	80%	0.795	S	S	*	*			trans	-142.6	121.3	163.6	-70.7	-167.5	-18.1	0	0	110.5
44	D	27.9	Very low	30	Very low	155 Å²	155	150 Å²	150	83%	0.829	79%	0.793	S	S	*	*			trans	-74.7	138.2	172.5	-57.5	-85.5	0	0	0	111.6
45	F	31	Very low	30	Very low	213 Å²	213	145.5 Å²	145.5	93%	0.934	79%	0.792	S	S	*	*			trans	-152.1	159.4	148.1	-110.7	-74.2	0	0	0	111.3
46	Q	28.3	Very low	29.9	Very low	170 Å²	170	143.6 Å²	143.6	79%	0.794	79%	0.79	S	S	*	*			trans	-97.3	149.1	-152.5	-63.8	174.9	-27.5	0	0	115.6
47	S	27.4	Very low	30	Very low	102 Å²	102	143.4 Å²	143.4	71%	0.713	78%	0.784	S	S	*	*			trans	56.6	104.6	145.8	60	0	0	0	0	120.5
48	T	28.4	Very low	30	Very low	141 Å²	141	144.5 Å²	144.5	87%	0.865	79%	0.792	S	S	*	*				-170.3	136.4	118.5	14.6	0	0	0	0	112.4
49	P	36.2	Very low	30	Very low	116 Å²	116	141.3 Å²	141.3	75%	0.753	78%	0.783	S	S	*	*			trans	-94.8	-177.9	163.1	40.8	-35.4	0	0	0	110.4
50	P	35	Very low	29.9	Very low	110 Å²	110	136.9 Å²	136.9	71%	0.714	77%	0.771	S	S	*	*			cis	-130.5	179.4	-0.8	41.7	-26.2	0	0	0	114.5
51	L	29.1	Very low	29.8	Very low	167 Å²	167	135.2 Å²	135.2	87%	0.874	76%	0.763	S	S	*	*				179.6	128.6	119.5	-97.6	165.3	0	0	0	111.1
52	R	26.4	Very low	29.9	Very low	205 Å²	205	135.1 Å²	135.1	77%	0.774	76%	0.764	S	S	*	*			trans	-85.7	148.6	166.7	-79.7	-170.5	179.3	-173.4	2.2	110.4	D54	R52-D54 IonicContact NH1-OD1 3.51Å; R52-D54 IonicContact NH1-OD2 3.9Å
53	S	31.2	Very low	30	Very low	114 Å²	114	136.8 Å²	136.8	80%	0.797	76%	0.762	S	S	*	*			trans	-133.4	116.3	145.1	52.1	0	0	0	0	107.9
54	D	25.7	Very low	29.9	Very low	127 Å²	127	136.7 Å²	136.7	68%	0.679	76%	0.755	S	S	*	*			trans	-83.3	124.3	-171.3	-67.3	-70.7	0	0	0	111.1	R52	R52-D54 IonicContact NH1-OD1 3.51Å; R52-D54 IonicContact NH1-OD2 3.9Å
55	S	31.9	Very low	30.2	Very low	105 Å²	105	134 Å²	134	73%	0.734	73%	0.733	S	S	*	*			trans	-146.8	52	170.3	49.9	0	0	0	0	111.5	Y57	S55-Y57 PolarHBondContact O-N 3.5Å
56	G	25.9	Very low	30.1	Very low	71 Å²	71	128.5 Å²	128.5	73%	0.732	72%	0.721	S	S	*	*			trans	-75.2	115.4	-179	0	0	0	0	0	113.4
57	Y	32.2	Very low	30.1	Very low	210 Å²	210	131.3 Å²	131.3	82%	0.824	73%	0.725	S	S	*	*			trans	-123.2	50.2	164.4	-76.2	-74.8	0	0	0	111.7	S55 L59	S55-Y57 PolarHBondContact O-N 3.5Å; Y57-L59 HydrophobicContact CD1-CD1 4.39Å; Y57-L59 PolarHBondContact O-N 2.81Å
58	S	25.8	Very low	30.1	Very low	125 Å²	125	132.9 Å²	132.9	87%	0.874	73%	0.733	S	S	*	*			trans	-80.1	96.3	159.3	-174	0	0	0	0	108.4
59	L	29.1	Very low	30	Very low	125 Å²	125	129.3 Å²	129.3	65%	0.654	72%	0.723	S	S	*	*			trans	-134.3	95	179.1	-100.6	163.1	0	0	0	109.5	Y57 P61	Y57-L59 HydrophobicContact CD1-CD1 4.39Å; Y57-L59 PolarHBondContact O-N 2.81Å; L59-P61 VanDerWaalsContact O-CD 3.23Å; L59-P61 WeakPolarHBondContact O-CD 3.41Å
60	C	25.3	Very low	29.6	Very low	89 Å²	89	131.7 Å²	131.7	60%	0.601	73%	0.728	S	S	*	*			trans	-69.7	115.8	176.6	-168.1	0	0	0	0	109.9	S62	C60-S62 PolarHBondContact O-N 2.68Å
61	P	32.4	Very low	29.2	Very low	80 Å²	80	132.9 Å²	132.9	52%	0.519	73%	0.733	S	S	.	*			trans	-82	31.3	-168.9	-13.9	31.6	0	0	0	115.8	L59 Q63 Y64	L59-P61 VanDerWaalsContact O-CD 3.23Å; L59-P61 WeakPolarHBondContact O-CD 3.41Å; P61-Q63 PolarHBondContact O-N 2.67Å; P61-Y64 HydrophobicContact CB-CD2 3.7Å; P61-Y64 HydrophobicContact CB-CE2 3.98Å; P61-Y64 WeakPolarHBondContact O-CD2 3.23Å
62	S	34.1	Very low	29.1	Very low	102 Å²	102	130.5 Å²	130.5	71%	0.713	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-12.8	-178.3	56.8	0	0	0	0	114.5	C60	C60-S62 PolarHBondContact O-N 2.68Å
63	Q	31.1	Very low	29.3	Very low	159 Å²	159	126.3 Å²	126.3	74%	0.743	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	0.4	-175.7	-64.7	-177.5	-18.9	0	0	114.9	P61 Y65	P61-Q63 PolarHBondContact O-N 2.67Å; Q63-Y65 VanDerWaalsContact C-N 3.32Å; Q63-Y65 PolarHBondContact O-N 2.68Å
64	Y	34.3	Very low	29.2	Very low	185 Å²	185	126.3 Å²	126.3	73%	0.725	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-0.3	-169.5	-78.1	-92.8	0	0	0	115.7	P61	P61-Y64 HydrophobicContact CB-CD2 3.7Å; P61-Y64 HydrophobicContact CB-CE2 3.98Å; P61-Y64 WeakPolarHBondContact O-CD2 3.23Å
65	Y	33.5	Very low	29.5	Very low	97 Å²	97	127.7 Å²	127.7	38%	0.38	73%	0.732	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.3	16.8	175.3	-78.1	-63.8	0	0	0	114.7	Q63 R67 I827 F835	Q63-Y65 VanDerWaalsContact C-N 3.32Å; Q63-Y65 PolarHBondContact O-N 2.68Å; Y65-R67 PolarHBondContact O-N 2.83Å; Y65-I827 HydrophobicContact CD1-CD1 3.75Å; Y65-I827 HydrophobicContact CD1-CG1 4.45Å; Y65-I827 HydrophobicContact CD2-CD1 4.02Å; Y65-I827 HydrophobicContact CE1-CD1 4.44Å; Y65-I827 HydrophobicContact CE2-CG2 4.5Å; Y65-I827 HydrophobicContact CG-CD1 3.51Å; Y65-F835 HydrophobicContact CE2-CZ 4.07Å
66	S	27.9	Very low	29.3	Very low	98 Å²	98	131.3 Å²	131.3	69%	0.685	74%	0.738	S	S	*	*			trans	-82.3	109.6	169.9	-63.4	0	0	0	0	111.3
67	R	29.8	Very low	29.6	Very low	230 Å²	230	134.9 Å²	134.9	87%	0.868	75%	0.746	S	S	*	*			trans	-59.3	144.3	171	-84.4	-177.7	167.7	-171.1	-3	111.4	Y65 G69	Y65-R67 PolarHBondContact O-N 2.83Å; R67-G69 PolarHBondContact O-N 3.44Å
68	P	27.5	Very low	29.4	Very low	135 Å²	135	130.4 Å²	130.4	88%	0.877	74%	0.744	S	S	*	*	S	Bend	trans	-65.9	117.5	163.5	-18.1	31.8	0	0	0	111.6
69	G	26.2	Very low	29.6	Very low	65 Å²	65	130.9 Å²	130.9	67%	0.67	74%	0.741	S	S	*	*			trans	76.4	79.7	145.1	0	0	0	0	0	119.5	R67	R67-G69 PolarHBondContact O-N 3.44Å
70	I	27.6	Very low	29.5	Very low	167 Å²	167	131.8 Å²	131.8	86%	0.856	75%	0.746	S	S	*	*				-132.5	119.5	129.5	-58.3	-178.1	0	0	0	106.7
71	V	26.8	Very low	29.6	Very low	134 Å²	134	138 Å²	138	81%	0.812	76%	0.764	S	S	*	*			trans	-110.6	117.4	175.1	-179.2	0	0	0	0	108
72	P	25.6	Very low	29.4	Very low	118 Å²	118	138.3 Å²	138.3	77%	0.766	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-80.1	119.9	171.9	31.1	-30.4	0	0	0	109.8
73	S	31.6	Very low	29.2	Very low	116 Å²	116	141.4 Å²	141.4	81%	0.811	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-94.9	134.9	159.4	-167.6	0	0	0	0	108.2
74	T	28.9	Very low	29.3	Very low	115 Å²	115	141.5 Å²	141.5	71%	0.706	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-75.9	149.4	168.6	56.2	0	0	0	0	110
75	D	32.2	Very low	28.9	Very low	155 Å²	155	139.1 Å²	139.1	83%	0.829	78%	0.775	S	S	*	*				-171.4	163.4	107.4	-86.4	-3.2	0	0	0	109.9
76	E	28.3	Very low	28.8	Very low	182 Å²	182	139.6 Å²	139.6	85%	0.85	79%	0.791	S	S	*	*			trans	-97.4	149.9	-167.6	-54.2	-179.3	146.1	0	0	113.1
77	T	32.1	Very low	28.9	Very low	146 Å²	146	139.8 Å²	139.8	90%	0.896	79%	0.788	S	S	*	*				-177	160.7	124.2	21.5	0	0	0	0	113.3
78	C	27.1	Very low	29	Very low	116 Å²	116	135.9 Å²	135.9	78%	0.784	79%	0.79	S	S	*	*			trans	-86.4	-177	178.7	-63.3	0	0	0	0	111.3
79	V	30.9	Very low	29.1	Very low	134 Å²	134	134.5 Å²	134.5	81%	0.812	78%	0.783	S	S	*	*			cis	-157.4	173.3	29.7	-140.5	0	0	0	0	112.3
80	N	26.5	Very low	29.5	Very low	144 Å²	144	140.8 Å²	140.8	77%	0.77	80%	0.795	S	S	*	*			trans	-77.7	165.5	-179.4	-48.8	-63.2	0	0	0	114.8
81	F	27.4	Very low	29.5	Very low	221 Å²	221	138.6 Å²	138.6	97%	0.969	79%	0.789	S	S	*	*				-165.2	166.6	119.5	-108.7	-75	0	0	0	110.8
82	A	27.3	Very low	29.9	Very low	85 Å²	85	139.6 Å²	139.6	70%	0.702	79%	0.79	S	S	*	*			trans	-142.2	175.2	-173	0	0	0	0	0	111.3
83	E	31.3	Very low	30.1	Very low	168 Å²	168	141.7 Å²	141.7	79%	0.785	79%	0.79	S	S	*	*			trans	-178.8	144.9	138.8	-102.3	-171.4	136.7	0	0	117.4
84	Q	31.9	Very low	30.2	Very low	161 Å²	161	142.4 Å²	142.4	75%	0.752	78%	0.784	S	S	*	*			trans	69.6	161.8	143.2	-63.5	-174.5	29.1	0	0	125
85	L	26.7	Very low	30.3	Very low	134 Å²	134	146.7 Å²	146.7	70%	0.702	79%	0.788	S	S	*	*			trans	-154.8	-156	-159.7	-106.8	169	0	0	0	108.1
86	P	32.1	Very low	30	Very low	108 Å²	108	146.1 Å²	146.1	70%	0.701	79%	0.785	S	S	*	*			cis	-141.4	-177.5	7.2	46.2	-26.1	0	0	0	119.3
87	T	28.8	Very low	29.9	Very low	102 Å²	102	143.8 Å²	143.8	63%	0.626	78%	0.782	S	S	*	*			trans	-16.2	160.7	160	58.7	0	0	0	0	125.8
88	T	32.6	Very low	29.7	Very low	148 Å²	148	143.1 Å²	143.1	91%	0.908	78%	0.778	S	S	*	*			trans	-160	166.2	135.9	2.7	0	0	0	0	110.3
89	S	30.1	Very low	29.6	Very low	106 Å²	106	144.8 Å²	144.8	74%	0.741	78%	0.778	S	S	*	*			trans	-145.7	165.7	-160.5	52.8	0	0	0	0	114.6
90	E	33.2	Very low	29.4	Very low	196 Å²	196	145.7 Å²	145.7	92%	0.916	78%	0.778	S	S	*	*			trans	-167.3	167.9	146.5	-115.8	172	-144.3	0	0	113.2
91	V	28.8	Very low	29.4	Very low	121 Å²	121	149 Å²	149	73%	0.733	78%	0.782	S	S	*	*			trans	-146.8	145.4	-156.5	173.2	0	0	0	0	112.1
92	N	34.7	Very low	29.6	Very low	155 Å²	155	146.2 Å²	146.2	83%	0.829	77%	0.771	S	S	*	*			trans	-176	168.7	134.6	-107.5	-70	0	0	0	116.6
93	E	30	Very low	29.7	Very low	162 Å²	162	148 Å²	148	76%	0.757	77%	0.769	S	S	*	*			trans	-105	165.7	-162.6	-42.6	177.8	127.8	0	0	115.1
94	N	32.5	Very low	29.5	Very low	131 Å²	131	148.4 Å²	148.4	70%	0.701	77%	0.771	S	S	*	*				-179.3	116.9	127.2	-103.8	-75.3	0	0	0	116.1
95	R	33	Very low	29.4	Very low	206 Å²	206	151 Å²	151	78%	0.777	78%	0.78	S	S	*	*			trans	51.8	110.8	134.1	-65.3	179.5	179	167.7	0	123.8
96	N	25.9	Very low	29.3	Very low	143 Å²	143	148.2 Å²	148.2	77%	0.765	78%	0.784	S	S	*	*				88.9	146.9	117.6	-65.1	-1.8	0	0	0	124.1
97	V	25.3	Very low	29.2	Very low	133 Å²	133	151.5 Å²	151.5	81%	0.806	80%	0.795	S	S	*	*			trans	70.1	100.7	161.3	-140.1	0	0	0	0	119.9
98	V	28.4	Very low	29.1	Very low	131 Å²	131	156.1 Å²	156.1	79%	0.794	80%	0.801	S	S	*	*				175.8	137.5	102.3	161	0	0	0	0	107.4
99	L	24.2	Very low	29	Very low	151 Å²	151	155.3 Å²	155.3	79%	0.791	80%	0.795	S	S	*	*			trans	-93.5	127.5	176.2	-80.2	160.5	0	0	0	110.8	Y101	L99-Y101 HydrophobicContact CD2-CD2 4.04Å; L99-Y101 HydrophobicContact CD2-CE2 3.95Å
100	D	26.4	Very low	29	Very low	153 Å²	153	155.6 Å²	155.6	82%	0.818	79%	0.794	S	S	*	*			trans	-146	112.4	161.2	-155.5	-3.1	0	0	0	108.4
101	Y	27	Very low	28.8	Very low	215 Å²	215	151.5 Å²	151.5	84%	0.843	79%	0.785	S	S	*	*			trans	-103	105.5	-168.3	-113.2	-87.2	0	0	0	110.4	L99	L99-Y101 HydrophobicContact CD2-CD2 4.04Å; L99-Y101 HydrophobicContact CD2-CE2 3.95Å
102	Q	31.1	Very low	29.1	Very low	161 Å²	161	154.5 Å²	154.5	75%	0.752	79%	0.791	S	S	*	*			trans	-124.2	137.3	175.1	-128.8	168.7	31	0	0	111.1	Q104	Q102-Q104 PolarHBondContact O-N 3.1Å
103	N	29.5	Very low	29.1	Very low	123 Å²	123	154.6 Å²	154.6	66%	0.658	79%	0.79	S	S	*	*			trans	-65.6	126.4	-156.4	-95.1	-51.6	0	0	0	115.2	E652	N103-E652 PolarHBondContact ND2-OE2 3.01Å
104	Q	26.9	Very low	29.2	Very low	177 Å²	177	151.9 Å²	151.9	83%	0.827	79%	0.786	S	S	*	*			trans	-111.9	80.2	174.6	-66.6	-166.2	25.1	0	0	112.7	Q102	Q102-Q104 PolarHBondContact O-N 3.1Å
105	F	29.5	Very low	29	Very low	215 Å²	215	151.7 Å²	151.7	94%	0.943	80%	0.795	S	S	*	*			trans	-139.7	78	160.8	-83.3	-70.1	0	0	0	111.1
106	G	24.8	Very low	29.2	Very low	75 Å²	75	151.8 Å²	151.8	77%	0.773	80%	0.796	S	S	*	*			trans	-103.9	81.8	-176.7	0	0	0	0	0	114.3
107	L	30	Very low	29.5	Very low	177 Å²	177	152.1 Å²	152.1	93%	0.927	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-72.8	128.5	165.1	-83.3	165.6	0	0	0	110.1
108	R	27.7	Very low	29.6	Very low	200 Å²	200	151.6 Å²	151.6	76%	0.755	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-79.1	126	-170.5	-68.6	-178.3	-179.1	168.6	2.6	112.6
109	V	29.9	Very low	29.5	Very low	131 Å²	131	153 Å²	153	79%	0.794	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-79.8	127.1	160.7	-178.9	0	0	0	0	109.5
110	P	30.6	Very low	29.8	Very low	111 Å²	111	153.9 Å²	153.9	72%	0.721	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-73.5	139.1	170.9	-14.7	30.1	0	0	0	111.6
111	P	29.6	Very low	29.7	Very low	111 Å²	111	151.6 Å²	151.6	72%	0.721	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-87.4	173.3	173.8	36.3	-35.9	0	0	0	113.3
112	E	34.1	Very low	29.8	Very low	184 Å²	184	147.2 Å²	147.2	86%	0.86	80%	0.796	S	S	*	*			trans	90.1	111.2	164.6	-55	-171.5	-164.1	0	0	118.4
113	I	34.7	Very low	29.9	Very low	157 Å²	157	142.7 Å²	142.7	81%	0.805	79%	0.786	S	S	*	*			trans	-111.2	127.9	162.4	-61.2	174.7	0	0	0	107.2
114	P	32.2	Very low	30	Very low	104 Å²	104	142.6 Å²	142.6	68%	0.675	79%	0.786	S	S	*	*			trans	-62.6	146.9	-178.4	-27	36.5	0	0	0	115.5	W116	P114-W116 PolarHBondContact O-N 3.03Å; P114-W116 VanDerWaalsContact O-N 3.1Å
115	S	28.1	Very low	30.3	Very low	127 Å²	127	140.9 Å²	140.9	89%	0.888	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	60.2	-161.2	63.2	0	0	0	0	115.7
116	W	37.7	Very low	30.5	Very low	209 Å²	209	135.4 Å²	135.4	79%	0.792	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	-6.8	171.3	69.9	-90.4	0	0	0	114.9	P114 T118	P114-W116 PolarHBondContact O-N 3.03Å; P114-W116 VanDerWaalsContact O-N 3.1Å; W116-T118 VanDerWaalsContact C-N 3.3Å; W116-T118 PolarHBondContact O-N 3.26Å
117	M	31.8	Very low	31	Very low	150 Å²	150	137.5 Å²	137.5	74%	0.739	74%	0.739	S	S	*	*			trans	-77	74.9	171.2	-70.4	-166.1	-178.2	0	0	112.3
118	T	28.2	Very low	31.2	Very low	122 Å²	122	132.4 Å²	132.4	75%	0.748	72%	0.715	S	S	*	*			trans	-149.7	140.6	161.3	-58.3	0	0	0	0	108.4	W116	W116-T118 VanDerWaalsContact C-N 3.3Å; W116-T118 PolarHBondContact O-N 3.26Å
119	L	25.9	Very low	31.5	Very low	159 Å²	159	125.5 Å²	125.5	83%	0.832	69%	0.693	S	S	*	*	S	Bend	trans	78.3	69.2	-172.4	-49.3	175.1	0	0	0	115.9
120	N	30	Very low	31.7	Very low	171 Å²	171	121.8 Å²	121.8	91%	0.914	67%	0.668	S	S	*	*				-160.1	152.7	115.7	-99	-31.3	0	0	0	111.1
121	S	24.8	Very low	31.9	Very low	105 Å²	105	123 Å²	123	73%	0.734	66%	0.664	S	S	*	*			trans	-99.7	160.8	-165	-169.9	0	0	0	0	113.8
122	S	28.5	Very low	32.2	Very low	123 Å²	123	123.6 Å²	123.6	86%	0.86	66%	0.656	S	S	*	*	S	Bend	trans	81.8	11.2	153.1	-44.5	0	0	0	0	119.7
123	A	32.7	Very low	32.1	Very low	66 Å²	66	124.2 Å²	124.2	55%	0.545	65%	0.651	S	S	.	*	S	Bend	trans	-127	-38.5	174.5	0	0	0	0	0	115.9	H125	A123-H125 VanDerWaalsContact C-N 3.28Å; A123-H125 PolarHBondContact O-N 3.33Å
124	N	32.1	Very low	32	Very low	121 Å²	121	119.7 Å²	119.7	65%	0.647	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	14.9	-159.8	-65.4	4.8	0	0	0	116.9	T128	N124-T128 PolarHBondContact O-OG1 3.33Å; N124-T128 VanDerWaalsContact O-OG1 3.12Å
125	H	32.8	Very low	31.8	Very low	140 Å²	140	118.7 Å²	118.7	65%	0.648	63%	0.626	S	S	*	*	H	α-helix	trans	-80.2	-24.3	176.6	-103.1	-73.3	0	0	0	113.9	A123 Y127 D129	A123-H125 VanDerWaalsContact C-N 3.28Å; A123-H125 PolarHBondContact O-N 3.33Å; H125-Y127 PolarHBondContact O-N 3.14Å; H125-D129 IonicContact CE1-OD2 3.77Å; H125-D129 IonicContact CG-OD2 3.54Å; H125-D129 IonicContact ND1-OD2 3.61Å; H125-D129 PolarHBondContact ND1-OD2 2.88Å
126	F	34	Very low	32.1	Very low	101 Å²	101	116.7 Å²	116.7	44%	0.443	60%	0.603	S	S	.	*	H	α-helix	trans	-62.7	-41	-171.2	-98.9	-107.1	0	0	0	114.6	I130 S494	F126-I130 VanDerWaalsContact O-CD1 3.27Å; F126-I130 WeakPolarHBondContact O-CD1 3.45Å; F126-I130 WeakPolarHBondContact O-CG1 3.37Å; F126-S494 WeakPolarHBondContact CE1-OG 3.43Å
127	Y	36.2	Very low	31.7	Very low	119 Å²	119	112.4 Å²	112.4	47%	0.467	60%	0.602	S	S	.	*	H	α-helix	trans	-90.3	-29.1	-177.4	-84.9	-78.9	0	0	0	114.1	H125 Q131	H125-Y127 PolarHBondContact O-N 3.14Å; Y127-Q131 PolarHBondContact O-N 3.06Å
128	T	33.8	Very low	31.5	Very low	69 Å²	69	110.4 Å²	110.4	42%	0.423	60%	0.595	S	S	.	*	H	α-helix	trans	-80.6	-18.3	-171.4	52.6	0	0	0	0	114.1	N124 K132	N124-T128 PolarHBondContact O-OG1 3.33Å; N124-T128 VanDerWaalsContact O-OG1 3.12Å; T128-K132 WeakPolarHBondContact O-CE 3.36Å
129	D	32.9	Very low	31.6	Very low	56 Å²	56	108.3 Å²	108.3	30%	0.299	58%	0.583	S	S	.	*	H	α-helix	trans	-91.3	-29.1	172.9	-71	-52.7	0	0	0	112.7	H125 Q131 K132 Y133	H125-D129 IonicContact CE1-OD2 3.77Å; H125-D129 IonicContact CG-OD2 3.54Å; H125-D129 IonicContact ND1-OD2 3.61Å; H125-D129 PolarHBondContact ND1-OD2 2.88Å; D129-Q131 PolarHBondContact O-N 3.14Å; D129-K132 PolarHBondContact O-N 3.16Å; D129-K132 IonicContact OD1-NZ 3.81Å; D129-K132 PolarHBondContact OD1-NZ 3.12Å; D129-Y133 WeakPolarHBondContact O-CD2 3.33Å
130	I	35.5	Very low	31.9	Very low	52 Å²	52	104.9 Å²	104.9	27%	0.267	57%	0.569	S	S	.	*	H	α-helix	trans	-59.9	-47.4	172.9	-65.5	173.9	0	0	0	110.6	F126 K132 Y133 T134 L738	F126-I130 VanDerWaalsContact O-CD1 3.27Å; F126-I130 WeakPolarHBondContact O-CD1 3.45Å; F126-I130 WeakPolarHBondContact O-CG1 3.37Å; I130-K132 PolarHBondContact O-N 3.19Å; I130-Y133 PolarHBondContact O-N 2.85Å; I130-T134 HydrophobicContact CG2-CG2 4.24Å; I130-T134 PolarHBondContact O-N 3.47Å; I130-T134 PolarHBondContact O-OG1 3.27Å; I130-L738 HydrophobicContact CD1-CD1 4.15Å
131	Q	33.8	Very low	31.8	Very low	137 Å²	137	98.8 Å²	98.8	64%	0.64	54%	0.538	S	S	*	.	H	α-helix	trans	-59.7	-20	179.7	-73.9	-176.3	-20.4	0	0	114.2	Y127 D129 S135	Y127-Q131 PolarHBondContact O-N 3.06Å; D129-Q131 PolarHBondContact O-N 3.14Å; Q131-S135 VanDerWaalsContact O-CB 3.31Å; Q131-S135 WeakPolarHBondContact O-CB 3.29Å; Q131-S135 PolarHBondContact O-N 3.15Å; Q131-S135 PolarHBondContact O-OG 3.26Å
132	K	35.7	Very low	32.1	Very low	124 Å²	124	98.2 Å²	98.2	54%	0.539	52%	0.524	S	S	.	.	H	α-helix	trans	-81.1	-19.7	178.3	-64.5	171.3	-168.4	157.1	0	113.9	T128 D129 I130 S135	T128-K132 WeakPolarHBondContact O-CE 3.36Å; D129-K132 PolarHBondContact O-N 3.16Å; D129-K132 IonicContact OD1-NZ 3.81Å; D129-K132 PolarHBondContact OD1-NZ 3.12Å; I130-K132 PolarHBondContact O-N 3.19Å; K132-S135 WeakPolarHBondContact CA-OG 3.35Å; K132-S135 PolarHBondContact O-OG 3.24Å
133	Y	32.9	Very low	32.3	Very low	197 Å²	197	92.8 Å²	92.8	77%	0.773	49%	0.486	S	S	*	.	H	α-helix	trans	-103	-15.1	176.1	-64.2	-73.6	0	0	0	112.4	D129 I130	D129-Y133 WeakPolarHBondContact O-CD2 3.33Å; I130-Y133 PolarHBondContact O-N 2.85Å
134	T	33.1	Very low	32.8	Very low	61 Å²	61	92.8 Å²	92.8	37%	0.374	48%	0.479	S	S	.	.	S	Bend	trans	-101	10.6	172.5	67.6	0	0	0	0	113.7	I130 Q136	I130-T134 HydrophobicContact CG2-CG2 4.24Å; I130-T134 PolarHBondContact O-N 3.47Å; I130-T134 PolarHBondContact O-OG1 3.27Å; T134-Q136 PolarHBondContact O-N 2.8Å
135	S	27.9	Very low	33.3	Very low	83 Å²	83	88 Å²	88	58%	0.58	45%	0.452	S	S	*	.			trans	-81.7	56	-176.8	12.1	0	0	0	0	113.4	Q131 K132	Q131-S135 VanDerWaalsContact O-CB 3.31Å; Q131-S135 WeakPolarHBondContact O-CB 3.29Å; Q131-S135 PolarHBondContact O-N 3.15Å; Q131-S135 PolarHBondContact O-OG 3.26Å; K132-S135 WeakPolarHBondContact CA-OG 3.35Å; K132-S135 PolarHBondContact O-OG 3.24Å
136	Q	32.8	Very low	33.3	Very low	85 Å²	85	84.3 Å²	84.3	40%	0.397	44%	0.44	S	S	.	.	S	Bend	trans	-73.6	141	147	-66.6	-167	22.8	0	0	108	T134 N138 M511	T134-Q136 PolarHBondContact O-N 2.8Å; Q136-N138 PolarHBondContact O-N 2.87Å; Q136-M511 PolarHBondContact NE2-SD 3.45Å; Q136-M511 VanDerWaalsContact NE2-SD 3.38Å
137	P	29.5	Very low	33	Very low	120 Å²	120	83.6 Å²	83.6	78%	0.779	46%	0.461	S	S	*	.			trans	-71.3	103.9	176.4	28.7	-32.5	0	0	0	109	P139	P137-P139 WeakPolarHBondContact O-CD 3.39Å
138	N	29	Very low	32.6	Very low	108 Å²	108	83.4 Å²	83.4	58%	0.578	47%	0.467	S	S	*	.			trans	-50.2	112.2	177.1	-98.1	-3.2	0	0	0	111	Q136	Q136-N138 PolarHBondContact O-N 2.87Å
139	P	29.7	Very low	32.4	Very low	77 Å²	77	83.2 Å²	83.2	50%	0.5	47%	0.467	S	S	.	.			trans	-77.8	133.7	157.7	1.4	19.7	0	0	0	106.9	P137	P137-P139 WeakPolarHBondContact O-CD 3.39Å
140	T	31.3	Very low	32.4	Very low	87 Å²	87	83.4 Å²	83.4	53%	0.534	47%	0.47	S	S	.	.			trans	-58.6	164.3	152.8	40.3	0	0	0	0	109.2	Q142	T140-Q142 PolarHBondContact O-N 3.06Å
141	P	28.3	Very low	32.2	Very low	43 Å²	43	87.7 Å²	87.7	28%	0.279	49%	0.488	S	S	.	.	S	Bend	trans	-66.1	76.6	175.8	26.8	-35	0	0	0	111.6	V570	P141-V570 HydrophobicContact CB-CG1 4.01Å
142	Q	31.8	Very low	32.3	Very low	94 Å²	94	85.5 Å²	85.5	44%	0.439	48%	0.475	S	S	.	.	B	Isolated β-bridge	trans	-88.2	133.3	173.7	-67.8	-174.8	-35.5	0	0	108.5	T140 V144	T140-Q142 PolarHBondContact O-N 3.06Å; Q142-V144 PolarHBondContact O-N 2.79Å
143	S	32.6	Very low	32	Very low	9 Å²	9	85.6 Å²	85.6	6%	0.063	48%	0.481	C	S	.	.			trans	-64.2	129.9	166.3	164.6	0	0	0	0	109.7	Y145 T146 C567	S143-Y145 PolarHBondContact O-N 2.72Å; S143-Y145 WeakPolarHBondContact OG-CA 2.89Å; S143-Y145 WeakPolarHBondContact OG-CB 3.46Å; S143-Y145 WeakPolarHBondContact OG-CD2 3.49Å; S143-Y145 PolarHBondContact OG-N 2.97Å; S143-T146 WeakPolarHBondContact CB-OG1 3.45Å; S143-T146 PolarHBondContact O-N 3.03Å; S143-T146 PolarHBondContact OG-N 3.23Å; S143-C567 PolarHBondContact OG-O 3.12Å
144	V	42.6	Very low	31.7	Very low	65 Å²	65	83.3 Å²	83.3	39%	0.394	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	1.3	170.2	-168.3	0	0	0	0	112.2	Q142 K522	Q142-V144 PolarHBondContact O-N 2.79Å; V144-K522 HydrophobicContact CG1-CD 4.47Å; V144-K522 WeakPolarHBondContact O-CE 3.06Å; V144-K522 PolarHBondContact O-NZ 2.98Å
145	Y	43.2	Very low	31.6	Very low	20 Å²	20	85.4 Å²	85.4	8%	0.078	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-24.2	-172.9	-51.5	-99.8	0	0	0	113.7	S143 L521 K522 S525 C567 V569	S143-Y145 PolarHBondContact O-N 2.72Å; S143-Y145 WeakPolarHBondContact OG-CA 2.89Å; S143-Y145 WeakPolarHBondContact OG-CB 3.46Å; S143-Y145 WeakPolarHBondContact OG-CD2 3.49Å; S143-Y145 PolarHBondContact OG-N 2.97Å; Y145-L521 WeakPolarHBondContact OH-CB 3.32Å; Y145-L521 PolarHBondContact OH-O 2.85Å; Y145-K522 HydrophobicContact CD1-CD 3.72Å; Y145-K522 HydrophobicContact CE1-CB 4.34Å; Y145-K522 HydrophobicContact CE1-CD 3.65Å; Y145-K522 HydrophobicContact CG-CD 4.45Å; Y145-K522 PolarHBondContact OH-N 2.86Å; Y145-S525 WeakPolarHBondContact CD1-OG 3.07Å; Y145-C567 WeakPolarHBondContact CB-O 3.38Å; Y145-V569 HydrophobicContact CE2-CB 4.17Å; Y145-V569 HydrophobicContact CE2-CG2 3.86Å; Y145-V569 WeakPolarHBondContact OH-CG2 3.17Å
146	T	33.1	Very low	31.7	Very low	64 Å²	64	87.1 Å²	87.1	39%	0.393	49%	0.493	S	S	.	.			trans	-127.4	121.2	173.1	55.3	0	0	0	0	108.7	S143 I148	S143-T146 WeakPolarHBondContact CB-OG1 3.45Å; S143-T146 PolarHBondContact O-N 3.03Å; S143-T146 PolarHBondContact OG-N 3.23Å; T146-I148 PolarHBondContact O-N 2.82Å
147	G	28.1	Very low	31.6	Very low	85 Å²	85	90.3 Å²	90.3	88%	0.876	51%	0.508	S	S	*	.	S	Bend	trans	-69.9	28.3	178.5	0	0	0	0	0	114.7
148	I	26.7	Very low	31.5	Very low	116 Å²	116	91.9 Å²	91.9	60%	0.595	51%	0.51	S	S	*	.	S	Bend	trans	-128.5	131.8	-170.7	-54.7	171.5	0	0	0	106	T146 V150	T146-I148 PolarHBondContact O-N 2.82Å; I148-V150 PolarHBondContact O-N 3.17Å
149	P	29.3	Very low	31.6	Very low	65 Å²	65	91.5 Å²	91.5	42%	0.422	52%	0.516	S	S	.	.	B	Isolated β-bridge	trans	-58	128.5	170.1	-20.6	32.5	0	0	0	110.4	H151	P149-H151 VanDerWaalsContact C-N 3.32Å; P149-H151 PolarHBondContact O-N 3.2Å
150	V	32.9	Very low	31.5	Very low	60 Å²	60	93.5 Å²	93.5	36%	0.364	53%	0.527	S	S	.	.			trans	-75.9	87.4	-177.9	-174.8	0	0	0	0	109.1	I148 Y152	I148-V150 PolarHBondContact O-N 3.17Å; V150-Y152 HydrophobicContact CG1-CD1 4.1Å; V150-Y152 HydrophobicContact CG1-CE1 3.63Å; V150-Y152 HydrophobicContact CG1-CE2 4.32Å; V150-Y152 PolarHBondContact O-N 2.93Å
151	H	32.8	Very low	31.5	Very low	141 Å²	141	98.6 Å²	98.6	65%	0.653	54%	0.542	S	S	*	.			trans	-75.1	107.5	170.5	-93.8	-85.3	0	0	0	109.7	P149 N153	P149-H151 VanDerWaalsContact C-N 3.32Å; P149-H151 PolarHBondContact O-N 3.2Å; H151-N153 PolarHBondContact O-N 2.69Å
152	Y	34.8	Very low	31.6	Very low	92 Å²	92	103.5 Å²	103.5	36%	0.361	56%	0.561	S	S	.	*			trans	-75.2	68.8	171.4	-48.2	-83.8	0	0	0	110.7	V150 R154 N826	V150-Y152 HydrophobicContact CG1-CD1 4.1Å; V150-Y152 HydrophobicContact CG1-CE1 3.63Å; V150-Y152 HydrophobicContact CG1-CE2 4.32Å; V150-Y152 PolarHBondContact O-N 2.93Å; Y152-R154 PolarHBondContact O-N 2.78Å; Y152-R154 VanDerWaalsContact O-N 3.09Å; Y152-N826 WeakPolarHBondContact CB-OD1 3.35Å; Y152-N826 WeakPolarHBondContact CD2-OD1 3.38Å
153	N	29.1	Very low	31.6	Very low	126 Å²	126	106.9 Å²	106.9	67%	0.674	58%	0.582	S	S	*	*			trans	-76.9	90.8	168.9	-74.1	0.4	0	0	0	108.7	H151 T155	H151-N153 PolarHBondContact O-N 2.69Å; N153-T155 PolarHBondContact O-N 2.83Å; N153-T155 VanDerWaalsContact O-N 3.11Å
154	R	27.6	Very low	31.4	Very low	148 Å²	148	117.5 Å²	117.5	56%	0.558	62%	0.621	S	S	*	*			trans	-66	107	164.3	-173.2	-173.3	-100.5	-130.3	4.5	107.2	Y152	Y152-R154 PolarHBondContact O-N 2.78Å; Y152-R154 VanDerWaalsContact O-N 3.09Å
155	T	29.7	Very low	30.9	Very low	106 Å²	106	118 Å²	118	65%	0.65	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-61.5	131	177.8	41.2	0	0	0	0	110.4	N153 E157	N153-T155 PolarHBondContact O-N 2.83Å; N153-T155 VanDerWaalsContact O-N 3.11Å; T155-E157 PolarHBondContact O-N 3.47Å
156	P	31.1	Very low	30.4	Very low	119 Å²	119	128.2 Å²	128.2	77%	0.773	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-67.2	117.3	170.3	-17.4	31.2	0	0	0	109.8	N158	P156-N158 PolarHBondContact O-N 3.44Å
157	E	30.4	Very low	30.3	Very low	152 Å²	152	131 Å²	131	71%	0.71	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-76.1	117	171.2	-70.3	175.3	-177.2	0	0	109	T155 S159	T155-E157 PolarHBondContact O-N 3.47Å; E157-S159 VanDerWaalsContact C-N 3.27Å; E157-S159 PolarHBondContact O-N 3.4Å
158	N	28.2	Very low	30.6	Very low	152 Å²	152	138.6 Å²	138.6	81%	0.813	70%	0.696	S	S	*	*			trans	-74.1	75.5	179.6	-83.9	-24.6	0	0	0	111.6	P156 T160	P156-N158 PolarHBondContact O-N 3.44Å; N158-T160 PolarHBondContact O-N 3.38Å; N158-T160 PolarHBondContact O-OG1 3.3Å
159	S	31.4	Very low	31	Very low	100 Å²	100	139.1 Å²	139.1	70%	0.699	71%	0.705	S	S	*	*			trans	-65.8	102.5	173.5	63.1	0	0	0	0	110.5	E157 F161	E157-S159 VanDerWaalsContact C-N 3.27Å; E157-S159 PolarHBondContact O-N 3.4Å; S159-F161 PolarHBondContact O-N 3.41Å
160	T	27.7	Very low	31.4	Very low	120 Å²	120	142.2 Å²	142.2	74%	0.736	73%	0.726	S	S	*	*			trans	-75	78.7	-171.2	-57.3	0	0	0	0	112.2	N158 Q162	N158-T160 PolarHBondContact O-N 3.38Å; N158-T160 PolarHBondContact O-OG1 3.3Å; T160-Q162 PolarHBondContact O-N 2.9Å
161	F	30.9	Very low	31.3	Very low	193 Å²	193	142.6 Å²	142.6	85%	0.846	74%	0.741	S	S	*	*			trans	-91.2	100.3	174.1	-107.8	-83.4	0	0	0	112.2	S159	S159-F161 PolarHBondContact O-N 3.41Å
162	Q	29.4	Very low	31.9	Very low	146 Å²	146	141.7 Å²	141.7	68%	0.682	75%	0.748	S	S	*	*			trans	-72.2	129.6	171.5	-58.6	-177.7	14.3	0	0	110.5	T160	T160-Q162 PolarHBondContact O-N 2.9Å
163	N	32.3	Very low	32	Very low	165 Å²	165	148 Å²	148	88%	0.882	78%	0.777	S	S	*	*			trans	-146.2	142.1	154.7	-117.4	-44.5	0	0	0	111.4
164	R	27.7	Very low	32.1	Very low	232 Å²	232	151.8 Å²	151.8	88%	0.875	79%	0.788	S	S	*	*			trans	-118.2	129.1	-162.1	-76.6	176.3	166.9	167.4	-3.9	113.5
165	G	32.1	Very low	32.4	Very low	75 Å²	75	148.5 Å²	148.5	77%	0.773	80%	0.8	S	S	*	*			trans	120.6	165.4	146.7	0	0	0	0	0	116.9
166	R	32.3	Very low	32.7	Very low	235 Å²	235	151.2 Å²	151.2	89%	0.887	81%	0.811	S	S	*	*			cis	-161.7	103.7	-22.9	-178.1	-173.9	-109.5	-150.1	-0.7	111
167	V	31.8	Very low	32.7	Very low	124 Å²	124	157.1 Å²	157.1	75%	0.752	82%	0.817	S	S	*	*			trans	29.8	122.8	140.8	-161.8	0	0	0	0	119.8
168	R	34.7	Very low	33	Very low	243 Å²	243	153.1 Å²	153.1	92%	0.917	82%	0.817	S	S	*	*				-172.6	156.9	120.3	-100.6	161.9	-171	-161.7	-1.2	116.2
169	T	35	Very low	33.3	Very low	128 Å²	128	151 Å²	151	79%	0.785	81%	0.814	S	S	*	*			trans	-99.3	-165.9	-174.4	51.1	0	0	0	0	111.1
170	P	36.7	Very low	33.7	Very low	130 Å²	130	152.9 Å²	152.9	84%	0.844	82%	0.816	S	S	*	*			cis	-125.8	-159.7	-2.7	43.9	-25	0	0	0	112.5
171	G	32.4	Very low	34	Very low	67 Å²	67	157.3 Å²	157.3	69%	0.691	82%	0.819	S	S	*	*			cis	177.2	-179.8	9.1	0	0	0	0	0	111.2
172	P	44.3	Very low	34.4	Very low	123 Å²	123	156 Å²	156	80%	0.799	82%	0.82	S	S	*	*			trans	-112.6	159.7	-166.2	39.9	-33.1	0	0	0	116.8
173	F	36.4	Very low	34.8	Very low	223 Å²	223	160 Å²	160	98%	0.978	83%	0.829	S	S	*	*			trans	-148.2	166.5	171	-110.9	-85.8	0	0	0	115.3
174	K	33	Very low	35.4	Very low	207 Å²	207	156.8 Å²	156.8	90%	0.9	82%	0.818	S	S	*	*			trans	-128.4	156.9	-174.4	-76.6	179.2	174.3	175.4	0	113.4
175	G	32.8	Very low	35.7	Very low	78 Å²	78	152.3 Å²	152.3	80%	0.804	81%	0.811	S	S	*	*			trans	109.5	158.1	161.1	0	0	0	0	0	115.1
176	N	35.4	Very low	36.1	Very low	164 Å²	164	157.3 Å²	157.3	88%	0.877	81%	0.814	S	S	*	*			cis	-153.8	-178.2	-5.1	-162.5	6.6	0	0	0	111.5
177	R	32.9	Very low	36.5	Very low	242 Å²	242	149.8 Å²	149.8	91%	0.913	81%	0.81	S	S	*	*			trans	-94.4	156.7	-168.1	-57.3	171.7	174.7	168	-3.6	116.4
178	G	35.5	Very low	36.7	Very low	68 Å²	68	149.4 Å²	149.4	70%	0.701	81%	0.809	S	S	*	*			trans	167.2	120.7	158.3	0	0	0	0	0	109.5
179	S	34.7	Very low	36.9	Very low	108 Å²	108	146.6 Å²	146.6	76%	0.755	81%	0.805	S	S	*	*			cis	62.1	118.3	48.8	-150.1	0	0	0	0	111.1
180	L	39.4	Very low	36.9	Very low	140 Å²	140	145.5 Å²	145.5	73%	0.733	81%	0.81	S	S	*	*				-153.4	155.1	54.6	-80	156	0	0	0	115.1
181	R	34.9	Very low	37	Very low	213 Å²	213	143.1 Å²	143.1	80%	0.804	81%	0.808	S	S	*	*			trans	9.6	140.6	135.2	-53.8	176	-176.1	171.8	0	117.7
182	N	39.1	Very low	37	Very low	164 Å²	164	147.2 Å²	147.2	88%	0.877	81%	0.814	S	S	*	*				-158.3	179.2	62.8	-117.7	-23.8	0	0	0	115.7
183	R	37	Very low	36.6	Very low	230 Å²	230	147.1 Å²	147.1	87%	0.868	81%	0.812	S	S	*	*			trans	-115.1	-156.4	-167.6	-148.6	-165.6	144.3	-178.1	-5.7	112.3
184	P	44.8	Very low	36.5	Very low	99 Å²	99	142.4 Å²	142.4	64%	0.643	80%	0.801	S	S	*	*			trans	-113	-176.7	-133.6	42.9	-25.7	0	0	0	114.8
185	N	35.5	Very low	36.4	Very low	137 Å²	137	137.5 Å²	137.5	73%	0.733	79%	0.793	S	S	*	*				-159.9	178.4	122.5	-144.3	-5.9	0	0	0	114
186	Q	40.4	Very low	36.3	Very low	180 Å²	180	139.7 Å²	139.7	84%	0.841	79%	0.791	S	S	*	*			trans	-87.4	159.9	-174.3	-59.4	147.8	85.5	0	0	113.3
187	G	39.1	Very low	36.1	Very low	78 Å²	78	137.6 Å²	137.6	80%	0.804	78%	0.784	S	S	*	*			trans	-169	122.8	166	0	0	0	0	0	111.1
188	T	36.6	Very low	36	Very low	116 Å²	116	132.1 Å²	132.1	71%	0.712	78%	0.778	S	S	*	*			trans	-90	147.4	179.5	43.8	0	0	0	0	111.8
189	H	39	Very low	35.9	Very low	183 Å²	183	135.9 Å²	135.9	85%	0.847	79%	0.787	S	S	*	*				174.3	172.2	113.5	-90	-64.2	0	0	0	111.4
190	A	35	Very low	35.8	Very low	106 Å²	106	137.4 Å²	137.4	88%	0.876	79%	0.792	S	S	*	*			trans	-94.1	153.8	-166.1	0	0	0	0	0	113.9
191	G	38	Very low	35.8	Very low	79 Å²	79	140.6 Å²	140.6	81%	0.814	80%	0.8	S	S	*	*			trans	-168.5	142.1	172.2	0	0	0	0	0	109.3
192	N	33.9	Very low	36.2	Very low	154 Å²	154	139.1 Å²	139.1	82%	0.824	80%	0.802	S	S	*	*			trans	-104.6	157.1	-163.9	-113.8	-10.9	0	0	0	114.2
193	T	34.7	Very low	37	Very low	121 Å²	121	137.1 Å²	137.1	74%	0.742	80%	0.798	S	S	*	*			trans	74.1	146.5	150.5	40.6	0	0	0	0	122.8
194	T	34.5	Very low	38.2	Very low	123 Å²	123	130.1 Å²	130.1	76%	0.755	79%	0.785	S	S	*	*			trans	74.1	91.7	152.9	41.9	0	0	0	0	122.2
195	S	31.6	Very low	39.6	Very low	104 Å²	104	130.2 Å²	130.2	73%	0.727	78%	0.784	S	S	*	*				98.2	127.8	116.8	79.4	0	0	0	0	122.3
196	T	30.1	Very low	41.9	Very low	124 Å²	124	127 Å²	127	76%	0.761	76%	0.763	S	S	*	*			trans	83.7	150.7	148	-24.5	0	0	0	0	120.4
197	T	32.1	Very low	43.9	Very low	120 Å²	120	124 Å²	124	74%	0.736	75%	0.745	S	S	*	*			trans	80.1	90.4	169	58.8	0	0	0	0	120.8
198	T	30.2	Very low	46.3	Very low	128 Å²	128	120.4 Å²	120.4	79%	0.785	71%	0.707	S	S	*	*				41.7	119.2	125.7	55.6	0	0	0	0	121.8
199	T	33.5	Very low	48.5	Very low	146 Å²	146	120.7 Å²	120.7	90%	0.896	71%	0.705	S	S	*	*			trans	-158.9	147	132.8	12.8	0	0	0	0	110.2
200	T	32.6	Very low	50.7	Low	141 Å²	141	114.9 Å²	114.9	87%	0.865	68%	0.679	S	S	*	*			trans	-82.1	142.2	178.8	43.1	0	0	0	0	112
201	K	38.4	Very low	53	Low	207 Å²	207	110.2 Å²	110.2	90%	0.9	64%	0.64	S	S	*	*			trans	-130.1	125.5	165.3	-81.8	-177.4	174	175.1	0	109.8
202	E	44.1	Very low	55.2	Low	181 Å²	181	112.6 Å²	112.6	85%	0.846	63%	0.628	S	S	*	*			trans	-68.4	148.5	178	-60.9	176.3	126	0	0	111	S204	E202-S204 PolarHBondContact O-N 2.95Å; E202-S204 VanDerWaalsContact O-N 3.1Å
203	P	55.6	Low	57.3	Low	122 Å²	122	107.8 Å²	107.8	79%	0.792	60%	0.604	S	S	*	*			trans	-70.2	105.7	173.9	29	-33.2	0	0	0	109.8	V205	P203-V205 PolarHBondContact O-N 3.26Å
204	S	61.7	Low	59.8	Low	83 Å²	83	105 Å²	105	58%	0.58	59%	0.589	S	S	*	*			trans	-65.7	105.8	179.4	47.1	0	0	0	0	111.6	E202 F206	E202-S204 PolarHBondContact O-N 2.95Å; E202-S204 VanDerWaalsContact O-N 3.1Å; S204-F206 VanDerWaalsContact O-CD2 3.27Å; S204-F206 WeakPolarHBondContact O-CD2 3.49Å; S204-F206 WeakPolarHBondContact O-CE2 3.44Å
205	V	75.6	Confident	62.2	Low	102 Å²	102	99.5 Å²	99.5	62%	0.618	56%	0.556	S	S	*	*			trans	-74.3	125.7	169.6	-179.1	0	0	0	0	108.4	P203	P203-V205 PolarHBondContact O-N 3.26Å
206	F	82.9	Confident	64.6	Low	68 Å²	68	99.3 Å²	99.3	30%	0.298	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.4	142.9	174.5	-72.7	-106.4	0	0	0	108.3	S204 S214 C215 P218 F221	S204-F206 VanDerWaalsContact O-CD2 3.27Å; S204-F206 WeakPolarHBondContact O-CD2 3.49Å; S204-F206 WeakPolarHBondContact O-CE2 3.44Å; F206-S214 CarbonylContact O-C 3.54Å; F206-S214 WeakPolarHBondContact O-CA 3.38Å; F206-C215 HydrophobicContact CB-CB 4.36Å; F206-C215 PolarHBondContact N-O 3.37Å; F206-C215 PolarHBondContact O-N 3.21Å; F206-P218 HydrophobicContact CE1-CB 4.47Å; F206-P218 HydrophobicContact CE1-CG 4.5Å; F206-P218 HydrophobicContact CE2-CB 4.3Å; F206-P218 HydrophobicContact CE2-CG 3.68Å; F206-P218 HydrophobicContact CZ-CB 4.08Å; F206-P218 HydrophobicContact CZ-CG 3.66Å; F206-F221 HydrophobicContact CB-CB 3.76Å; F206-F221 HydrophobicContact CB-CD2 3.61Å; F206-F221 HydrophobicContact CB-CE2 4.36Å; F206-F221 HydrophobicContact CB-CG 3.73Å; F206-F221 HydrophobicContact CD1-CB 4.33Å; F206-F221 HydrophobicContact CD1-CD1 4.26Å; F206-F221 HydrophobicContact CD1-CG 4.19Å; F206-F221 HydrophobicContact CG-CB 4.14Å; F206-F221 HydrophobicContact CG-CG 4.27Å
207	Y	83.1	Confident	67.2	Low	117 Å²	117	94.1 Å²	94.1	46%	0.459	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.7	-176.7	-179.5	-98.7	0	0	0	111	D209 K212 F221	Y207-D209 WeakPolarHBondContact CD1-OD1 3.44Å; Y207-D209 WeakPolarHBondContact CE1-OD1 3.4Å; Y207-K212 WeakPolarHBondContact OH-CA 3.27Å; Y207-F221 WeakPolarHBondContact O-CE2 3.49Å
208	C	88.4	Confident	69.8	Low	3 Å²	3	92.6 Å²	92.6	2%	0.02	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	106.4	179.1	-179	0	0	0	0	111.3	I210 C211 K212 V213 F221 H224 H230	C208-I210 VanDerWaalsContact C-N 3.28Å; C208-I210 PolarHBondContact O-N 2.89Å; C208-C211 HydrophobicContact CB-CB 4.24Å; C208-C211 PolarHBondContact O-N 2.79Å; C208-C211 VanDerWaalsContact O-N 3.11Å; C208-K212 WeakPolarHBondContact O-CA 3.16Å; C208-K212 PolarHBondContact O-N 2.93Å; C208-V213 PolarHBondContact N-O 3.33Å; C208-F221 HydrophobicContact CB-CE2 3.91Å; C208-H224 WeakPolarHBondContact CB-NE2 3.49Å; C208-H224 PolarHBondContact SG-NE2 3.05Å; C208-H230 PolarHBondContact SG-CE1 3.27Å; C208-H230 PolarHBondContact SG-ND1 3.47Å
209	D	83.8	Confident	72.5	Confident	123 Å²	123	93 Å²	93	66%	0.658	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-33.4	179.7	-62.3	-48	0	0	0	113.6	Y207 C211	Y207-D209 WeakPolarHBondContact CD1-OD1 3.44Å; Y207-D209 WeakPolarHBondContact CE1-OD1 3.4Å; D209-C211 VanDerWaalsContact C-N 3.32Å
210	I	84.6	Confident	75	Confident	61 Å²	61	88 Å²	88	31%	0.313	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-31.5	178.2	-63.4	144.6	0	0	0	111.4	C208 R233 L234	C208-I210 VanDerWaalsContact C-N 3.28Å; C208-I210 PolarHBondContact O-N 2.89Å; I210-R233 HydrophobicContact CG2-CB 3.63Å; I210-L234 HydrophobicContact CD1-CD2 3.48Å; I210-L234 VanDerWaalsContact CD1-CD2 3.48Å; I210-L234 HydrophobicContact CD1-CG 4.1Å; I210-L234 HydrophobicContact CG1-CD2 4.29Å
211	C	84.2	Confident	77.8	Confident	8 Å²	8	83.2 Å²	83.2	5%	0.054	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-13.2	-173.6	-76.9	0	0	0	0	115.8	C208 D209 V213 H224 R233	C208-C211 HydrophobicContact CB-CB 4.24Å; C208-C211 PolarHBondContact O-N 2.79Å; C208-C211 VanDerWaalsContact O-N 3.11Å; D209-C211 VanDerWaalsContact C-N 3.32Å; C211-V213 HydrophobicContact CB-CB 4.39Å; C211-V213 HydrophobicContact CB-CG2 4.03Å; C211-H224 VanDerWaalsContact CB-CE1 3.43Å; C211-H224 WeakPolarHBondContact CB-CE1 3.49Å; C211-H224 VanDerWaalsContact CB-NE2 3.34Å; C211-H224 WeakPolarHBondContact CB-NE2 3.46Å; C211-H224 PolarHBondContact SG-NE2 2.78Å; C211-R233 VanDerWaalsContact CA-NH1 3.25Å; C211-R233 PolarHBondContact O-NH1 2.85Å; C211-R233 VanDerWaalsContact SG-CD 3.52Å; C211-R233 PolarHBondContact SG-NH1 2.88Å
212	K	83.8	Confident	80.3	Confident	128 Å²	128	80.2 Å²	80.2	56%	0.557	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	45.3	-168	-56.5	179.3	179.9	177.1	0	112.7	Y207 C208 E263	Y207-K212 WeakPolarHBondContact OH-CA 3.27Å; C208-K212 WeakPolarHBondContact O-CA 3.16Å; C208-K212 PolarHBondContact O-N 2.93Å; K212-E263 IonicContact NZ-OE1 2.68Å; K212-E263 PolarHBondContact NZ-OE1 2.99Å
213	V	78.8	Confident	82.4	Confident	53 Å²	53	77 Å²	77	32%	0.321	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	128.8	-177.3	175.9	0	0	0	0	110.7	C208 C211	C208-V213 PolarHBondContact N-O 3.33Å; C211-V213 HydrophobicContact CB-CB 4.39Å; C211-V213 HydrophobicContact CB-CG2 4.03Å
214	S	85.4	Confident	84.1	Confident	62 Å²	62	73.1 Å²	73.1	43%	0.434	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	131	166.6	40.7	0	0	0	0	111.1	F206	F206-S214 CarbonylContact O-C 3.54Å; F206-S214 WeakPolarHBondContact O-CA 3.38Å
215	C	85.2	Confident	85.6	Confident	9 Å²	9	73.2 Å²	73.2	6%	0.061	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	131.5	-178.7	-63.4	0	0	0	0	109.9	F206 G217 A220 F221	F206-C215 HydrophobicContact CB-CB 4.36Å; F206-C215 PolarHBondContact N-O 3.37Å; F206-C215 PolarHBondContact O-N 3.21Å; C215-G217 VanDerWaalsContact C-N 3.33Å; C215-G217 PolarHBondContact O-N 2.93Å; C215-A220 HydrophobicContact CB-CB 4.26Å; C215-F221 HydrophobicContact CB-CB 3.96Å; C215-F221 HydrophobicContact CB-CD2 4.13Å
216	A	83.3	Confident	86.3	Confident	99 Å²	99	72.7 Å²	72.7	82%	0.818	40%	0.401	S	S	*	.	S	Bend	trans	-77.1	80.3	179.7	0	0	0	0	0	111.3
217	G	83.8	Confident	86.5	Confident	16 Å²	16	70.8 Å²	70.8	17%	0.165	40%	0.4	C	S	.	.	S	Bend	trans	90.7	175.1	176	0	0	0	0	0	115.5	C215 L219 A220 F221	C215-G217 VanDerWaalsContact C-N 3.33Å; C215-G217 PolarHBondContact O-N 2.93Å; G217-L219 PolarHBondContact O-N 3.28Å; G217-A220 PolarHBondContact O-N 3.15Å; G217-F221 PolarHBondContact O-N 3.25Å; G217-F221 VanDerWaalsContact O-N 3.17Å
218	P	87	Confident	86.6	Confident	87 Å²	87	73.7 Å²	73.7	57%	0.565	42%	0.418	S	S	*	.	H	α-helix	trans	-67.5	-34.3	-165.8	-16.6	27	0	0	0	114.3	F206 F221 K222	F206-P218 HydrophobicContact CE1-CB 4.47Å; F206-P218 HydrophobicContact CE1-CG 4.5Å; F206-P218 HydrophobicContact CE2-CB 4.3Å; F206-P218 HydrophobicContact CE2-CG 3.68Å; F206-P218 HydrophobicContact CZ-CB 4.08Å; F206-P218 HydrophobicContact CZ-CG 3.66Å; P218-F221 PolarHBondContact O-N 3.45Å; P218-K222 PolarHBondContact O-N 3.36Å
219	L	85.7	Confident	86.3	Confident	136 Å²	136	84.2 Å²	84.2	71%	0.712	46%	0.457	S	S	*	.	H	α-helix	trans	-68.5	-49.7	180	-70.3	168.8	0	0	0	110.9	G217 F221 K222 D223	G217-L219 PolarHBondContact O-N 3.28Å; L219-F221 PolarHBondContact O-N 3.26Å; L219-K222 PolarHBondContact O-N 3.01Å; L219-K222 VanDerWaalsContact O-N 3.08Å; L219-D223 PolarHBondContact O-N 3.43Å
220	A	86.1	Confident	86.6	Confident	42 Å²	42	78.7 Å²	78.7	35%	0.347	43%	0.427	S	S	.	.	H	α-helix	trans	-59.7	-30.9	175.4	0	0	0	0	0	112.6	C215 G217 H224	C215-A220 HydrophobicContact CB-CB 4.26Å; G217-A220 PolarHBondContact O-N 3.15Å; A220-H224 VanDerWaalsContact O-CB 3.28Å; A220-H224 WeakPolarHBondContact O-CB 3.29Å; A220-H224 PolarHBondContact O-N 2.95Å
221	F	92.4	Very high	86.8	Confident	40 Å²	40	83.1 Å²	83.1	18%	0.175	44%	0.444	C	S	.	.	H	α-helix	trans	-69.7	-45	173.3	-171.5	-104.4	0	0	0	112.5	F206 Y207 C208 C215 G217 P218 L219 D223 H224 E225	F206-F221 HydrophobicContact CB-CB 3.76Å; F206-F221 HydrophobicContact CB-CD2 3.61Å; F206-F221 HydrophobicContact CB-CE2 4.36Å; F206-F221 HydrophobicContact CB-CG 3.73Å; F206-F221 HydrophobicContact CD1-CB 4.33Å; F206-F221 HydrophobicContact CD1-CD1 4.26Å; F206-F221 HydrophobicContact CD1-CG 4.19Å; F206-F221 HydrophobicContact CG-CB 4.14Å; F206-F221 HydrophobicContact CG-CG 4.27Å; Y207-F221 WeakPolarHBondContact O-CE2 3.49Å; C208-F221 HydrophobicContact CB-CE2 3.91Å; C215-F221 HydrophobicContact CB-CB 3.96Å; C215-F221 HydrophobicContact CB-CD2 4.13Å; G217-F221 PolarHBondContact O-N 3.25Å; G217-F221 VanDerWaalsContact O-N 3.17Å; P218-F221 PolarHBondContact O-N 3.45Å; L219-F221 PolarHBondContact O-N 3.26Å; F221-D223 PolarHBondContact O-N 3.24Å; F221-H224 WeakPolarHBondContact O-CA 3.45Å; F221-H224 VanDerWaalsContact O-CB 3.31Å; F221-H224 WeakPolarHBondContact O-CB 3.36Å; F221-H224 PolarHBondContact O-N 2.91Å; F221-H224 VanDerWaalsContact O-N 3.13Å; F221-E225 HydrophobicContact CD1-CG 4.31Å; F221-E225 HydrophobicContact CE1-CG 4.02Å; F221-E225 WeakPolarHBondContact CE1-OE1 3.34Å; F221-E225 HydrophobicContact CZ-CG 4.26Å; F221-E225 WeakPolarHBondContact O-CG 3.28Å; F221-E225 PolarHBondContact O-N 3.22Å
222	K	90.2	Very high	86.8	Confident	144 Å²	144	90 Å²	90	63%	0.626	47%	0.473	S	S	*	.	H	α-helix	trans	-67.2	-35.6	177.6	-165.1	174.2	-175.8	178.5	0	113.1	P218 L219 H224 S226	P218-K222 PolarHBondContact O-N 3.36Å; L219-K222 PolarHBondContact O-N 3.01Å; L219-K222 VanDerWaalsContact O-N 3.08Å; K222-H224 VanDerWaalsContact C-N 3.31Å; K222-S226 WeakPolarHBondContact O-CB 3.47Å; K222-S226 PolarHBondContact O-N 2.93Å; K222-S226 VanDerWaalsContact O-N 3.1Å; K222-S226 PolarHBondContact O-OG 3.37Å
223	D	89.8	Confident	86.8	Confident	115 Å²	115	88.9 Å²	88.9	62%	0.615	47%	0.465	S	S	*	.	H	α-helix	trans	-68.9	-31.4	172.3	-67.9	-11.9	0	0	0	111.5	L219 F221 S226 G227	L219-D223 PolarHBondContact O-N 3.43Å; F221-D223 PolarHBondContact O-N 3.24Å; D223-S226 WeakPolarHBondContact CA-OG 3.28Å; D223-S226 PolarHBondContact O-OG 3.39Å; D223-G227 PolarHBondContact O-N 2.83Å
224	H	91	Very high	87.2	Confident	39 Å²	39	89.9 Å²	89.9	18%	0.181	47%	0.469	C	S	.	.	H	α-helix	trans	-68.5	-49.4	171.8	172	91.5	0	0	0	112.1	C208 C211 A220 F221 K222 S226 G227 H230	C208-H224 WeakPolarHBondContact CB-NE2 3.49Å; C208-H224 PolarHBondContact SG-NE2 3.05Å; C211-H224 VanDerWaalsContact CB-CE1 3.43Å; C211-H224 WeakPolarHBondContact CB-CE1 3.49Å; C211-H224 VanDerWaalsContact CB-NE2 3.34Å; C211-H224 WeakPolarHBondContact CB-NE2 3.46Å; C211-H224 PolarHBondContact SG-NE2 2.78Å; A220-H224 VanDerWaalsContact O-CB 3.28Å; A220-H224 WeakPolarHBondContact O-CB 3.29Å; A220-H224 PolarHBondContact O-N 2.95Å; F221-H224 WeakPolarHBondContact O-CA 3.45Å; F221-H224 VanDerWaalsContact O-CB 3.31Å; F221-H224 WeakPolarHBondContact O-CB 3.36Å; F221-H224 PolarHBondContact O-N 2.91Å; F221-H224 VanDerWaalsContact O-N 3.13Å; K222-H224 VanDerWaalsContact C-N 3.31Å; H224-S226 VanDerWaalsContact C-N 3.33Å; H224-S226 PolarHBondContact O-N 3.12Å; H224-G227 PolarHBondContact O-N 3.28Å; H224-G227 VanDerWaalsContact O-N 3.1Å; H224-H230 AromaticContact CD2-ND1 3.39Å; H224-H230 PolarHBondContact CD2-ND1 3.42Å; H224-H230 AromaticContact NE2-ND1 3.18Å; H224-H230 PolarHBondContact NE2-ND1 2.95Å; H224-H230 VanDerWaalsContact NE2-ND1 3.18Å; H224-H230 WeakPolarHBondContact O-CB 3.4Å
225	E	92.2	Very high	86.9	Confident	86 Å²	86	90.6 Å²	90.6	40%	0.402	47%	0.473	S	S	.	.	H	α-helix	trans	-60.9	-39.2	-180	-71	-179.9	132	0	0	112.6	F221 G227 H230	F221-E225 HydrophobicContact CD1-CG 4.31Å; F221-E225 HydrophobicContact CE1-CG 4.02Å; F221-E225 WeakPolarHBondContact CE1-OE1 3.34Å; F221-E225 HydrophobicContact CZ-CG 4.26Å; F221-E225 WeakPolarHBondContact O-CG 3.28Å; F221-E225 PolarHBondContact O-N 3.22Å; E225-G227 VanDerWaalsContact C-N 3.26Å; E225-G227 PolarHBondContact O-N 2.91Å; E225-H230 PolarHBondContact O-CD2 3.22Å; E225-H230 VanDerWaalsContact O-CD2 3.24Å
226	S	89.8	Confident	86.4	Confident	91 Å²	91	93.3 Å²	93.3	64%	0.636	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-10.4	176.9	55.7	0	0	0	0	114.2	K222 D223 H224	K222-S226 WeakPolarHBondContact O-CB 3.47Å; K222-S226 PolarHBondContact O-N 2.93Å; K222-S226 VanDerWaalsContact O-N 3.1Å; K222-S226 PolarHBondContact O-OG 3.37Å; D223-S226 WeakPolarHBondContact CA-OG 3.28Å; D223-S226 PolarHBondContact O-OG 3.39Å; H224-S226 VanDerWaalsContact C-N 3.33Å; H224-S226 PolarHBondContact O-N 3.12Å
227	G	88.9	Confident	86.2	Confident	27 Å²	27	91.1 Å²	91.1	28%	0.278	46%	0.462	S	S	.	.	S	Bend	trans	-70.7	140.6	-179.6	0	0	0	0	0	114.1	D223 H224 E225 R229 H230 K231	D223-G227 PolarHBondContact O-N 2.83Å; H224-G227 PolarHBondContact O-N 3.28Å; H224-G227 VanDerWaalsContact O-N 3.1Å; E225-G227 VanDerWaalsContact C-N 3.26Å; E225-G227 PolarHBondContact O-N 2.91Å; G227-R229 PolarHBondContact O-N 3.31Å; G227-H230 WeakPolarHBondContact O-CB 3.32Å; G227-H230 PolarHBondContact O-N 2.89Å; G227-K231 PolarHBondContact O-N 3Å
228	Q	84	Confident	86.2	Confident	179 Å²	179	95.2 Å²	95.2	84%	0.836	48%	0.476	S	S	*	.	H	α-helix	trans	-51.5	-34.9	-179.8	-71.7	-175.8	-12.6	0	0	114.1	K231 K232	Q228-K231 PolarHBondContact O-N 2.89Å; Q228-K232 PolarHBondContact O-N 3.31Å
229	R	83.2	Confident	85.7	Confident	224 Å²	224	93.5 Å²	93.5	85%	0.845	47%	0.47	S	S	*	.	H	α-helix	trans	-65.8	-40.1	178	-67.8	-175.8	178.8	-173.5	-0.4	112.5	G227 R233	G227-R229 PolarHBondContact O-N 3.31Å; R229-R233 PolarHBondContact O-N 3.04Å
230	H	89.5	Confident	85.1	Confident	7 Å²	7	91.1 Å²	91.1	3%	0.032	46%	0.457	C	S	.	.	H	α-helix	trans	-69.6	-47.4	175.8	-178.6	108.8	0	0	0	110	C208 H224 E225 G227 K232 R233 L234	C208-H230 PolarHBondContact SG-CE1 3.27Å; C208-H230 PolarHBondContact SG-ND1 3.47Å; H224-H230 AromaticContact CD2-ND1 3.39Å; H224-H230 PolarHBondContact CD2-ND1 3.42Å; H224-H230 AromaticContact NE2-ND1 3.18Å; H224-H230 PolarHBondContact NE2-ND1 2.95Å; H224-H230 VanDerWaalsContact NE2-ND1 3.18Å; H224-H230 WeakPolarHBondContact O-CB 3.4Å; E225-H230 PolarHBondContact O-CD2 3.22Å; E225-H230 VanDerWaalsContact O-CD2 3.24Å; G227-H230 WeakPolarHBondContact O-CB 3.32Å; G227-H230 PolarHBondContact O-N 2.89Å; H230-K232 VanDerWaalsContact C-N 3.3Å; H230-K232 PolarHBondContact O-N 2.81Å; H230-R233 PolarHBondContact O-N 2.72Å; H230-L234 VanDerWaalsContact CD2-CD1 3.49Å; H230-L234 WeakPolarHBondContact CD2-CD1 3.3Å; H230-L234 WeakPolarHBondContact NE2-CD1 3.47Å; H230-L234 PolarHBondContact O-N 3.42Å
231	K	89.1	Confident	84.6	Confident	153 Å²	153	94.2 Å²	94.2	67%	0.665	46%	0.464	S	S	*	.	H	α-helix	trans	-57	-37.6	177.6	-168.6	171.1	-176.9	175.3	0	113.5	G227 Q228 S235	G227-K231 PolarHBondContact O-N 3Å; Q228-K231 PolarHBondContact O-N 2.89Å; K231-S235 PolarHBondContact O-N 3.34Å
232	K	84	Confident	83.9	Confident	154 Å²	154	97.1 Å²	97.1	67%	0.67	48%	0.477	S	S	*	.	H	α-helix	trans	-67.5	-39.7	174.5	-169.2	173.9	-177.3	179.3	0	112.4	Q228 H230 Q236	Q228-K232 PolarHBondContact O-N 3.31Å; H230-K232 VanDerWaalsContact C-N 3.3Å; H230-K232 PolarHBondContact O-N 2.81Å; K232-Q236 PolarHBondContact O-N 3.04Å
233	R	83	Confident	82.8	Confident	103 Å²	103	94.1 Å²	94.1	39%	0.389	47%	0.467	S	S	.	.	H	α-helix	trans	-70.2	-36.2	177.3	-76.2	173.1	166.7	178.3	-11.1	112.8	I210 C211 R229 H230 Q236 V237	I210-R233 HydrophobicContact CG2-CB 3.63Å; C211-R233 VanDerWaalsContact CA-NH1 3.25Å; C211-R233 PolarHBondContact O-NH1 2.85Å; C211-R233 VanDerWaalsContact SG-CD 3.52Å; C211-R233 PolarHBondContact SG-NH1 2.88Å; R229-R233 PolarHBondContact O-N 3.04Å; H230-R233 PolarHBondContact O-N 2.72Å; R233-Q236 WeakPolarHBondContact O-CB 3.17Å; R233-Q236 PolarHBondContact O-N 2.77Å; R233-V237 WeakPolarHBondContact O-CG2 3.33Å; R233-V237 PolarHBondContact O-N 3.5Å
234	L	86.9	Confident	81.7	Confident	75 Å²	75	94 Å²	94	39%	0.393	46%	0.461	S	S	.	.	H	α-helix	trans	-54.8	-55.6	171.7	-90.8	174.3	0	0	0	111.5	I210 H230 Q236 V237 E238	I210-L234 HydrophobicContact CD1-CD2 3.48Å; I210-L234 VanDerWaalsContact CD1-CD2 3.48Å; I210-L234 HydrophobicContact CD1-CG 4.1Å; I210-L234 HydrophobicContact CG1-CD2 4.29Å; H230-L234 VanDerWaalsContact CD2-CD1 3.49Å; H230-L234 WeakPolarHBondContact CD2-CD1 3.3Å; H230-L234 WeakPolarHBondContact NE2-CD1 3.47Å; H230-L234 PolarHBondContact O-N 3.42Å; L234-Q236 PolarHBondContact O-N 3.1Å; L234-V237 PolarHBondContact O-N 2.94Å; L234-V237 VanDerWaalsContact O-N 3.09Å; L234-E238 PolarHBondContact O-N 2.79Å
235	S	80.3	Confident	80.6	Confident	76 Å²	76	98.5 Å²	98.5	53%	0.531	48%	0.482	S	S	.	.	H	α-helix	trans	-58.7	-34.1	179.7	172.1	0	0	0	0	112.9	K231 A239	K231-S235 PolarHBondContact O-N 3.34Å; S235-A239 WeakPolarHBondContact O-CB 3.42Å; S235-A239 PolarHBondContact O-N 2.9Å; S235-A239 VanDerWaalsContact O-N 3.1Å
236	Q	74.4	Confident	78.9	Confident	67 Å²	67	100.4 Å²	100.4	31%	0.313	49%	0.491	S	S	.	.	H	α-helix	trans	-69.4	-40.7	175.4	-177.5	176	18.7	0	0	112.9	K232 R233 L234 I240 T274	K232-Q236 PolarHBondContact O-N 3.04Å; R233-Q236 WeakPolarHBondContact O-CB 3.17Å; R233-Q236 PolarHBondContact O-N 2.77Å; L234-Q236 PolarHBondContact O-N 3.1Å; Q236-I240 HydrophobicContact CG-CD1 4.33Å; Q236-I240 WeakPolarHBondContact O-CD1 3.42Å; Q236-I240 VanDerWaalsContact O-CG1 3.3Å; Q236-I240 WeakPolarHBondContact O-CG1 3.48Å; Q236-I240 PolarHBondContact O-N 3.04Å; Q236-T274 PolarHBondContact NE2-O 3.15Å; Q236-T274 PolarHBondContact OE1-O 3.05Å
237	V	80.1	Confident	77.3	Confident	52 Å²	52	101.6 Å²	101.6	32%	0.315	49%	0.494	S	S	.	.	H	α-helix	trans	-68.2	-43.6	175.5	173.4	0	0	0	0	110.6	R233 L234 A239 I240 E241	R233-V237 WeakPolarHBondContact O-CG2 3.33Å; R233-V237 PolarHBondContact O-N 3.5Å; L234-V237 PolarHBondContact O-N 2.94Å; L234-V237 VanDerWaalsContact O-N 3.09Å; V237-A239 VanDerWaalsContact C-N 3.32Å; V237-A239 PolarHBondContact O-N 3.33Å; V237-I240 PolarHBondContact O-N 2.88Å; V237-I240 VanDerWaalsContact O-N 3.11Å; V237-E241 HydrophobicContact CG1-CG 4.46Å; V237-E241 PolarHBondContact O-N 3.44Å
238	E	82.5	Confident	75.4	Confident	102 Å²	102	104.8 Å²	104.8	48%	0.477	51%	0.512	S	S	.	.	H	α-helix	trans	-59.3	-41.1	177.9	-168.6	-168.9	153.7	0	0	112.1	L234 E241 K242	L234-E238 PolarHBondContact O-N 2.79Å; E238-E241 PolarHBondContact O-N 3.41Å; E238-K242 WeakPolarHBondContact O-CG 3.38Å; E238-K242 PolarHBondContact O-N 2.98Å; E238-K242 WeakPolarHBondContact OE1-CE 3.24Å; E238-K242 IonicContact OE1-NZ 2.99Å; E238-K242 PolarHBondContact OE1-NZ 3.31Å
239	A	76.3	Confident	73.8	Confident	51 Å²	51	103 Å²	103	42%	0.421	51%	0.509	S	S	.	.	H	α-helix	trans	-63.4	-41.1	174.4	0	0	0	0	0	112.5	S235 V237 E241 K242 L243	S235-A239 WeakPolarHBondContact O-CB 3.42Å; S235-A239 PolarHBondContact O-N 2.9Å; S235-A239 VanDerWaalsContact O-N 3.1Å; V237-A239 VanDerWaalsContact C-N 3.32Å; V237-A239 PolarHBondContact O-N 3.33Å; A239-E241 VanDerWaalsContact C-N 3.34Å; A239-K242 PolarHBondContact O-N 2.82Å; A239-L243 WeakPolarHBondContact O-CG 3.47Å; A239-L243 PolarHBondContact O-N 2.97Å
240	I	73	Confident	71.9	Confident	86 Å²	86	99.4 Å²	99.4	44%	0.441	51%	0.506	S	S	.	.	H	α-helix	trans	-67.8	-33.8	177.2	-67.5	164.8	0	0	0	111.5	Q236 V237 K244	Q236-I240 HydrophobicContact CG-CD1 4.33Å; Q236-I240 WeakPolarHBondContact O-CD1 3.42Å; Q236-I240 VanDerWaalsContact O-CG1 3.3Å; Q236-I240 WeakPolarHBondContact O-CG1 3.48Å; Q236-I240 PolarHBondContact O-N 3.04Å; V237-I240 PolarHBondContact O-N 2.88Å; V237-I240 VanDerWaalsContact O-N 3.11Å; I240-K244 WeakPolarHBondContact O-CG 3.36Å; I240-K244 PolarHBondContact O-N 3.2Å
241	E	76.6	Confident	69.3	Low	108 Å²	108	102.9 Å²	102.9	51%	0.505	54%	0.543	S	S	.	.	H	α-helix	trans	-74.7	-34.7	177.4	-71.5	-170.7	156.5	0	0	113	V237 E238 A239 K244 Q245	V237-E241 HydrophobicContact CG1-CG 4.46Å; V237-E241 PolarHBondContact O-N 3.44Å; E238-E241 PolarHBondContact O-N 3.41Å; A239-E241 VanDerWaalsContact C-N 3.34Å; E241-K244 PolarHBondContact O-N 3.35Å; E241-Q245 WeakPolarHBondContact O-CG 3.4Å; E241-Q245 PolarHBondContact O-N 2.74Å
242	K	77.5	Confident	66.7	Low	100 Å²	100	103.3 Å²	103.3	44%	0.435	55%	0.553	S	S	.	*	H	α-helix	trans	-62.4	-49.9	172	-72.3	172.7	-173.8	170.7	0	111.7	E238 A239 K244 Q245 E246	E238-K242 WeakPolarHBondContact O-CG 3.38Å; E238-K242 PolarHBondContact O-N 2.98Å; E238-K242 WeakPolarHBondContact OE1-CE 3.24Å; E238-K242 IonicContact OE1-NZ 2.99Å; E238-K242 PolarHBondContact OE1-NZ 3.31Å; A239-K242 PolarHBondContact O-N 2.82Å; K242-K244 PolarHBondContact O-N 3.31Å; K242-K244 VanDerWaalsContact O-N 3.16Å; K242-Q245 PolarHBondContact O-N 3.43Å; K242-E246 PolarHBondContact O-N 3.15Å
243	L	65.9	Low	64.5	Low	82 Å²	82	101.3 Å²	101.3	43%	0.429	56%	0.558	S	S	.	*	H	α-helix	trans	-56.8	-33.1	175	-70	170.2	0	0	0	112.7	A239 V247	A239-L243 WeakPolarHBondContact O-CG 3.47Å; A239-L243 PolarHBondContact O-N 2.97Å; L243-V247 WeakPolarHBondContact O-CB 3.3Å; L243-V247 VanDerWaalsContact O-CG2 3.22Å; L243-V247 WeakPolarHBondContact O-CG2 3.35Å; L243-V247 PolarHBondContact O-N 3.42Å
244	K	68.4	Low	62	Low	111 Å²	111	101.9 Å²	101.9	48%	0.483	58%	0.578	S	S	.	*	H	α-helix	trans	-72.2	-35.8	173.9	-76.9	178.4	177.2	-170.9	0	113.7	I240 E241 K242 S248	I240-K244 WeakPolarHBondContact O-CG 3.36Å; I240-K244 PolarHBondContact O-N 3.2Å; E241-K244 PolarHBondContact O-N 3.35Å; K242-K244 PolarHBondContact O-N 3.31Å; K242-K244 VanDerWaalsContact O-N 3.16Å; K244-S248 PolarHBondContact O-N 2.66Å; K244-S248 PolarHBondContact O-OG 2.81Å
245	Q	67.3	Low	59.7	Low	135 Å²	135	104.7 Å²	104.7	63%	0.631	59%	0.593	S	S	*	*	H	α-helix	trans	-71.1	-39.8	177.6	-70.7	174.9	21.5	0	0	111.1	E241 K242 S248	E241-Q245 WeakPolarHBondContact O-CG 3.4Å; E241-Q245 PolarHBondContact O-N 2.74Å; K242-Q245 PolarHBondContact O-N 3.43Å; Q245-S248 WeakPolarHBondContact O-CB 2.96Å; Q245-S248 PolarHBondContact O-N 3.05Å
246	E	55.9	Low	57.7	Low	126 Å²	126	108.6 Å²	108.6	59%	0.589	61%	0.606	S	S	*	*	H	α-helix	trans	-65.1	-40.4	177.1	-71.6	158.4	-168.9	0	0	111.8	K242 S248	K242-E246 PolarHBondContact O-N 3.15Å; E246-S248 PolarHBondContact O-N 2.88Å
247	V	56	Low	56	Low	115 Å²	115	111 Å²	111	70%	0.697	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-6.8	175.5	172.2	0	0	0	0	113.6	L243	L243-V247 WeakPolarHBondContact O-CB 3.3Å; L243-V247 VanDerWaalsContact O-CG2 3.22Å; L243-V247 WeakPolarHBondContact O-CG2 3.35Å; L243-V247 PolarHBondContact O-N 3.42Å
248	S	50.2	Low	53.9	Low	95 Å²	95	115.2 Å²	115.2	66%	0.664	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-5.3	-174.5	-66.7	0	0	0	0	115.8	K244 Q245 E246	K244-S248 PolarHBondContact O-N 2.66Å; K244-S248 PolarHBondContact O-OG 2.81Å; Q245-S248 WeakPolarHBondContact O-CB 2.96Å; Q245-S248 PolarHBondContact O-N 3.05Å; E246-S248 PolarHBondContact O-N 2.88Å
249	N	50.4	Low	51.6	Low	141 Å²	141	115 Å²	115	75%	0.754	65%	0.65	S	S	*	*	S	Bend	trans	-100	-32.1	-174.9	-75.2	-29	0	0	0	114.9	G251	N249-G251 PolarHBondContact O-N 2.74Å
250	D	42.7	Very low	50	Low	149 Å²	149	117.2 Å²	117.2	80%	0.797	67%	0.669	S	S	*	*			trans	-95.4	90.7	-174	-71.4	-43.7	0	0	0	112.1	N252	D250-N252 VanDerWaalsContact C-N 3.33Å; D250-N252 PolarHBondContact O-N 3.45Å
251	G	35.5	Very low	48.7	Very low	79 Å²	79	117.1 Å²	117.1	81%	0.814	68%	0.676	S	S	*	*			trans	-74.3	68.4	-173.9	0	0	0	0	0	115.4	N249	N249-G251 PolarHBondContact O-N 2.74Å
252	N	34.6	Very low	47.8	Very low	163 Å²	163	122.3 Å²	122.3	87%	0.872	69%	0.691	S	S	*	*			trans	-162	66.5	163.9	-116.9	-12.6	0	0	0	116.3	D250	D250-N252 VanDerWaalsContact C-N 3.33Å; D250-N252 PolarHBondContact O-N 3.45Å
253	S	37	Very low	46.9	Very low	111 Å²	111	122.8 Å²	122.8	78%	0.776	70%	0.695	S	S	*	*			trans	-166.2	133.3	144.3	-169	0	0	0	0	111.6	L255	S253-L255 PolarHBondContact O-N 2.96Å
254	S	31.4	Very low	47	Very low	116 Å²	116	122.6 Å²	122.6	81%	0.811	69%	0.694	S	S	*	*			trans	-96.7	89.7	-174.7	59.1	0	0	0	0	112.7
255	L	38.7	Very low	47.5	Very low	134 Å²	134	123.2 Å²	123.2	70%	0.702	69%	0.693	S	S	*	*			trans	-104.1	124.8	170.2	-72.4	172	0	0	0	111.3	S253 I257	S253-L255 PolarHBondContact O-N 2.96Å; L255-I257 PolarHBondContact O-N 2.96Å
256	I	37.3	Very low	48.3	Very low	157 Å²	157	117 Å²	117	81%	0.805	66%	0.664	S	S	*	*			trans	-79.5	90.4	-178.8	-59.3	176.8	0	0	0	109.5	N258	I256-N258 PolarHBondContact O-N 3.33Å
257	I	37.9	Very low	49.2	Very low	118 Å²	118	116.3 Å²	116.3	61%	0.605	66%	0.661	S	S	*	*			trans	-72.8	97.1	174.5	-56.6	177.4	0	0	0	109.3	L255 S259	L255-I257 PolarHBondContact O-N 2.96Å; I257-S259 VanDerWaalsContact C-N 3.27Å; I257-S259 PolarHBondContact O-N 3.29Å; I257-S259 PolarHBondContact O-OG 3.18Å
258	N	36.4	Very low	50.5	Low	140 Å²	140	111.5 Å²	111.5	75%	0.749	63%	0.632	S	S	*	*			trans	-62.3	85.1	172.6	-91.9	-21.3	0	0	0	111	I256 A260	I256-N258 PolarHBondContact O-N 3.33Å; N258-A260 PolarHBondContact O-N 3.37Å
259	S	34	Very low	52.1	Low	97 Å²	97	108.6 Å²	108.6	68%	0.678	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	18.5	-163.5	-66.7	0	0	0	0	115.6	I257	I257-S259 VanDerWaalsContact C-N 3.27Å; I257-S259 PolarHBondContact O-N 3.29Å; I257-S259 PolarHBondContact O-OG 3.18Å
260	A	42.3	Very low	53.5	Low	99 Å²	99	106.5 Å²	106.5	82%	0.818	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-28.5	-179.8	0	0	0	0	0	113.6	N258	N258-A260 PolarHBondContact O-N 3.37Å
261	S	46.6	Very low	55.2	Low	84 Å²	84	102.3 Å²	102.3	59%	0.587	58%	0.579	S	S	*	*			trans	-86.6	123.7	174.1	-171.4	0	0	0	0	111.1	E263	S261-E263 PolarHBondContact OG-N 3.4Å; S261-E263 PolarHBondContact OG-O 3.48Å; S261-E263 VanDerWaalsContact OG-O 3.13Å
262	R	56.9	Low	57.3	Low	216 Å²	216	100.9 Å²	100.9	82%	0.815	57%	0.565	S	S	*	*			trans	-109.4	17.3	168.7	-64.9	-173.9	179	-173.3	-2.3	111.9
263	E	59.6	Low	59.6	Low	110 Å²	110	93.8 Å²	93.8	51%	0.514	53%	0.528	S	S	.	.	S	Bend	trans	-129.5	124.5	-168.7	-72	164.5	-152.3	0	0	109.1	K212 S261 R265	K212-E263 IonicContact NZ-OE1 2.68Å; K212-E263 PolarHBondContact NZ-OE1 2.99Å; S261-E263 PolarHBondContact OG-N 3.4Å; S261-E263 PolarHBondContact OG-O 3.48Å; S261-E263 VanDerWaalsContact OG-O 3.13Å; E263-R265 VanDerWaalsContact C-N 3.26Å; E263-R265 PolarHBondContact O-N 3.39Å
264	L	68.8	Low	61.4	Low	79 Å²	79	93.8 Å²	93.8	41%	0.414	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	74.6	-176.3	-72.4	163.6	0	0	0	110	C273 G275 Y279	L264-C273 HydrophobicContact CB-CB 4.1Å; L264-C273 VanDerWaalsContact O-CB 3.26Å; L264-C273 WeakPolarHBondContact O-CB 3.17Å; L264-C273 PolarHBondContact O-N 3.16Å; L264-G275 VanDerWaalsContact CD1-C 3.48Å; L264-Y279 HydrophobicContact CB-CD2 4.09Å; L264-Y279 HydrophobicContact CB-CG 4.5Å; L264-Y279 WeakPolarHBondContact O-CD2 3.39Å
265	R	77.6	Confident	63.6	Low	124 Å²	124	88.8 Å²	88.8	47%	0.468	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	138.4	-180	-164.4	-179.8	-168.7	145.8	-5	110.8	E263 D270 V271 Y279	E263-R265 VanDerWaalsContact C-N 3.26Å; E263-R265 PolarHBondContact O-N 3.39Å; R265-D270 IonicContact CZ-OD1 2.69Å; R265-D270 IonicContact CZ-OD2 3.58Å; R265-D270 IonicContact NE-OD1 3.68Å; R265-D270 PolarHBondContact NE-OD1 3.19Å; R265-D270 IonicContact NH2-OD1 3.62Å; R265-D270 PolarHBondContact NH2-OD1 2.99Å; R265-D270 IonicContact NH2-OD2 3.29Å; R265-D270 PolarHBondContact NH2-OD2 3.01Å; R265-V271 WeakPolarHBondContact CA-O 3.29Å; R265-Y279 WeakPolarHBondContact O-CE2 3.43Å
266	C	83.9	Confident	65.4	Low	3 Å²	3	85.5 Å²	85.5	2%	0.02	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	107.6	167	174.3	0	0	0	0	109.7	L268 C269 D270 V271 Y279 H282 H288	C266-L268 PolarHBondContact O-N 3Å; C266-L268 VanDerWaalsContact O-N 3.15Å; C266-C269 PolarHBondContact O-N 3.01Å; C266-D270 WeakPolarHBondContact O-CA 3.48Å; C266-D270 PolarHBondContact O-N 2.98Å; C266-V271 PolarHBondContact N-O 3.15Å; C266-Y279 HydrophobicContact CB-CE2 3.95Å; C266-H282 VanDerWaalsContact CB-CD2 3.5Å; C266-H282 WeakPolarHBondContact CB-CD2 3.44Å; C266-H282 WeakPolarHBondContact CB-NE2 3.47Å; C266-H282 PolarHBondContact SG-NE2 3.32Å; C266-H282 VanDerWaalsContact SG-NE2 3.36Å; C266-H288 PolarHBondContact SG-CE1 3.29Å; C266-H288 PolarHBondContact SG-ND1 3.21Å
267	E	76.3	Confident	67.3	Low	112 Å²	112	83.9 Å²	83.9	52%	0.523	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-31.5	-178.3	-57.3	-54.1	124.4	0	0	113.4	C269	E267-C269 PolarHBondContact O-N 2.98Å
268	L	81.5	Confident	69.3	Low	15 Å²	15	80.1 Å²	80.1	8%	0.079	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-15.6	178	-68.1	177.4	0	0	0	115.3	C266 T291 L292 I302 P303	C266-L268 PolarHBondContact O-N 3Å; C266-L268 VanDerWaalsContact O-N 3.15Å; L268-T291 WeakPolarHBondContact O-CG2 3.44Å; L268-L292 HydrophobicContact CD1-CD2 3.46Å; L268-L292 VanDerWaalsContact CD1-CD2 3.46Å; L268-L292 HydrophobicContact CD1-CG 3.84Å; L268-I302 HydrophobicContact CD1-CG2 4.32Å; L268-I302 HydrophobicContact CD2-CG2 4.16Å; L268-P303 HydrophobicContact CD2-CG 3.85Å
269	C	83.8	Confident	71.6	Confident	33 Å²	33	75.9 Å²	75.9	22%	0.223	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.2	-3.5	-174	-75.9	0	0	0	0	113.8	C266 E267 V271 H282 T291	C266-C269 PolarHBondContact O-N 3.01Å; E267-C269 PolarHBondContact O-N 2.98Å; C269-V271 HydrophobicContact CB-CG2 4.13Å; C269-V271 PolarHBondContact O-N 3Å; C269-H282 WeakPolarHBondContact CB-NE2 3.34Å; C269-T291 PolarHBondContact SG-OG1 3.28Å
270	D	81	Confident	73.9	Confident	98 Å²	98	75.2 Å²	75.2	52%	0.524	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	22.6	-176.4	-129.1	27.3	0	0	0	115.5	R265 C266	R265-D270 IonicContact CZ-OD1 2.69Å; R265-D270 IonicContact CZ-OD2 3.58Å; R265-D270 IonicContact NE-OD1 3.68Å; R265-D270 PolarHBondContact NE-OD1 3.19Å; R265-D270 IonicContact NH2-OD1 3.62Å; R265-D270 PolarHBondContact NH2-OD1 2.99Å; R265-D270 IonicContact NH2-OD2 3.29Å; R265-D270 PolarHBondContact NH2-OD2 3.01Å; C266-D270 WeakPolarHBondContact O-CA 3.48Å; C266-D270 PolarHBondContact O-N 2.98Å
271	V	77.3	Confident	76	Confident	60 Å²	60	73.4 Å²	73.4	36%	0.364	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	114.4	-178.6	179.4	0	0	0	0	111	R265 C266 C269 C273	R265-V271 WeakPolarHBondContact CA-O 3.29Å; C266-V271 PolarHBondContact N-O 3.15Å; C269-V271 HydrophobicContact CB-CG2 4.13Å; C269-V271 PolarHBondContact O-N 3Å; V271-C273 PolarHBondContact O-N 3.02Å
272	G	81.2	Confident	78.1	Confident	50 Å²	50	70.7 Å²	70.7	52%	0.515	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	108.7	167.6	0	0	0	0	0	111.9
273	C	82.1	Confident	79.6	Confident	13 Å²	13	63.3 Å²	63.3	9%	0.088	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	145.8	178.8	-59.2	0	0	0	0	111.4	L264 V271 Y279	L264-C273 HydrophobicContact CB-CB 4.1Å; L264-C273 VanDerWaalsContact O-CB 3.26Å; L264-C273 WeakPolarHBondContact O-CB 3.17Å; L264-C273 PolarHBondContact O-N 3.16Å; V271-C273 PolarHBondContact O-N 3.02Å; C273-Y279 HydrophobicContact CB-CD2 4.01Å
274	T	74.9	Confident	80.8	Confident	111 Å²	111	61.8 Å²	61.8	68%	0.681	37%	0.366	S	S	*	.	S	Bend	trans	-93.9	11	-172.1	53.2	0	0	0	0	114.6	Q236 S278	Q236-T274 PolarHBondContact NE2-O 3.15Å; Q236-T274 PolarHBondContact OE1-O 3.05Å; T274-S278 PolarHBondContact N-OG 2.87Å
275	G	77.7	Confident	81.7	Confident	11 Å²	11	59.1 Å²	59.1	11%	0.113	36%	0.357	C	S	.	.	S	Bend	trans	163.3	165.3	-177.7	0	0	0	0	0	111.9	L264 D277 S278 Y279	L264-G275 VanDerWaalsContact CD1-C 3.48Å; G275-D277 PolarHBondContact O-N 3.26Å; G275-S278 PolarHBondContact N-OG 3.49Å; G275-S278 PolarHBondContact O-N 3.02Å; G275-S278 PolarHBondContact O-OG 3.5Å; G275-Y279 PolarHBondContact O-N 2.78Å
276	A	76.8	Confident	82.2	Confident	66 Å²	66	62.6 Å²	62.6	55%	0.545	37%	0.371	S	S	.	.	H	α-helix	trans	-53.5	-51.2	-174.1	0	0	0	0	0	112.6	S278 Y279 T280	A276-S278 PolarHBondContact O-N 3.25Å; A276-Y279 CarbonylContact O-C 3.6Å; A276-Y279 WeakPolarHBondContact O-CA 3.49Å; A276-Y279 WeakPolarHBondContact O-CB 3.11Å; A276-Y279 PolarHBondContact O-N 3.26Å; A276-T280 PolarHBondContact O-N 3.42Å; A276-T280 PolarHBondContact O-OG1 3.37Å
277	D	76.9	Confident	82.1	Confident	122 Å²	122	70 Å²	70	65%	0.652	41%	0.405	S	S	*	.	H	α-helix	trans	-55.5	-36.6	177.8	-32.6	-35	0	0	0	112.8	G275 T280 A281	G275-D277 PolarHBondContact O-N 3.26Å; D277-T280 PolarHBondContact O-OG1 3.35Å; D277-A281 WeakPolarHBondContact O-CB 3.18Å; D277-A281 PolarHBondContact O-N 2.9Å
278	S	79.4	Confident	82.7	Confident	40 Å²	40	64.9 Å²	64.9	28%	0.28	38%	0.381	S	S	.	.	H	α-helix	trans	-77.3	-23.1	178.1	62.7	0	0	0	0	112.9	T274 G275 A276 H282	T274-S278 PolarHBondContact N-OG 2.87Å; G275-S278 PolarHBondContact N-OG 3.49Å; G275-S278 PolarHBondContact O-N 3.02Å; G275-S278 PolarHBondContact O-OG 3.5Å; A276-S278 PolarHBondContact O-N 3.25Å; S278-H282 VanDerWaalsContact O-CB 3.23Å; S278-H282 WeakPolarHBondContact O-CB 3.41Å; S278-H282 PolarHBondContact O-N 2.97Å
279	Y	86.1	Confident	83	Confident	51 Å²	51	68.9 Å²	68.9	20%	0.2	40%	0.399	C	S	.	.	H	α-helix	trans	-79.2	-45.8	173.2	-168.4	-102.7	0	0	0	110.8	L264 R265 C266 C273 G275 A276 A281 H282 L283	L264-Y279 HydrophobicContact CB-CD2 4.09Å; L264-Y279 HydrophobicContact CB-CG 4.5Å; L264-Y279 WeakPolarHBondContact O-CD2 3.39Å; R265-Y279 WeakPolarHBondContact O-CE2 3.43Å; C266-Y279 HydrophobicContact CB-CE2 3.95Å; C273-Y279 HydrophobicContact CB-CD2 4.01Å; G275-Y279 PolarHBondContact O-N 2.78Å; A276-Y279 CarbonylContact O-C 3.6Å; A276-Y279 WeakPolarHBondContact O-CA 3.49Å; A276-Y279 WeakPolarHBondContact O-CB 3.11Å; A276-Y279 PolarHBondContact O-N 3.26Å; Y279-A281 PolarHBondContact O-N 3.44Å; Y279-H282 WeakPolarHBondContact O-CA 3.32Å; Y279-H282 WeakPolarHBondContact O-CB 3.48Å; Y279-H282 PolarHBondContact O-N 3.27Å; Y279-L283 HydrophobicContact CD1-CD1 3.97Å; Y279-L283 HydrophobicContact CD1-CG 4.25Å; Y279-L283 HydrophobicContact CE1-CD1 3.66Å; Y279-L283 HydrophobicContact CE1-CD2 4.3Å; Y279-L283 HydrophobicContact CE1-CG 4.07Å; Y279-L283 WeakPolarHBondContact O-CG 3.49Å; Y279-L283 PolarHBondContact O-N 3.31Å
280	T	81.9	Confident	83	Confident	83 Å²	83	76.1 Å²	76.1	51%	0.509	42%	0.422	S	S	.	.	H	α-helix	trans	-65.6	-37.8	174.6	56.4	0	0	0	0	112	A276 D277 H282 S284	A276-T280 PolarHBondContact O-N 3.42Å; A276-T280 PolarHBondContact O-OG1 3.37Å; D277-T280 PolarHBondContact O-OG1 3.35Å; T280-H282 VanDerWaalsContact C-N 3.29Å; T280-H282 PolarHBondContact O-N 3.1Å; T280-S284 WeakPolarHBondContact O-CB 3.39Å; T280-S284 PolarHBondContact O-N 3.05Å; T280-S284 PolarHBondContact O-OG 3.25Å
281	A	85.4	Confident	83.2	Confident	60 Å²	60	73.2 Å²	73.2	50%	0.496	41%	0.408	S	S	.	.	H	α-helix	trans	-68.2	-24.2	169.7	0	0	0	0	0	113.6	D277 Y279 S284 G285	D277-A281 WeakPolarHBondContact O-CB 3.18Å; D277-A281 PolarHBondContact O-N 2.9Å; Y279-A281 PolarHBondContact O-N 3.44Å; A281-S284 WeakPolarHBondContact CA-OG 3.38Å; A281-G285 PolarHBondContact O-N 3.27Å
282	H	90.4	Very high	83.6	Confident	27 Å²	27	71.7 Å²	71.7	13%	0.125	40%	0.397	C	S	.	.	H	α-helix	trans	-74.2	-51.7	171.3	173.8	78.3	0	0	0	111.3	C266 C269 S278 Y279 T280 S284 G285 H288	C266-H282 VanDerWaalsContact CB-CD2 3.5Å; C266-H282 WeakPolarHBondContact CB-CD2 3.44Å; C266-H282 WeakPolarHBondContact CB-NE2 3.47Å; C266-H282 PolarHBondContact SG-NE2 3.32Å; C266-H282 VanDerWaalsContact SG-NE2 3.36Å; C269-H282 WeakPolarHBondContact CB-NE2 3.34Å; S278-H282 VanDerWaalsContact O-CB 3.23Å; S278-H282 WeakPolarHBondContact O-CB 3.41Å; S278-H282 PolarHBondContact O-N 2.97Å; Y279-H282 WeakPolarHBondContact O-CA 3.32Å; Y279-H282 WeakPolarHBondContact O-CB 3.48Å; Y279-H282 PolarHBondContact O-N 3.27Å; T280-H282 VanDerWaalsContact C-N 3.29Å; T280-H282 PolarHBondContact O-N 3.1Å; H282-S284 PolarHBondContact O-N 3.33Å; H282-G285 WeakPolarHBondContact O-CA 3.23Å; H282-G285 PolarHBondContact O-N 2.87Å; H282-H288 AromaticContact CD2-ND1 3.67Å; H282-H288 AromaticContact NE2-CG 3.88Å; H282-H288 AromaticContact NE2-ND1 3.26Å; H282-H288 PolarHBondContact NE2-ND1 3.25Å; H282-H288 WeakPolarHBondContact O-CB 3.39Å
283	L	88.4	Confident	83.7	Confident	62 Å²	62	72.5 Å²	72.5	33%	0.325	39%	0.386	S	S	.	.	H	α-helix	trans	-59.2	-43.8	179.6	-64.4	-178.1	0	0	0	112.1	Y279 G285 H288	Y279-L283 HydrophobicContact CD1-CD1 3.97Å; Y279-L283 HydrophobicContact CD1-CG 4.25Å; Y279-L283 HydrophobicContact CE1-CD1 3.66Å; Y279-L283 HydrophobicContact CE1-CD2 4.3Å; Y279-L283 HydrophobicContact CE1-CG 4.07Å; Y279-L283 WeakPolarHBondContact O-CG 3.49Å; Y279-L283 PolarHBondContact O-N 3.31Å; L283-G285 PolarHBondContact O-N 3.11Å; L283-H288 WeakPolarHBondContact CD2-CE1 3.47Å; L283-H288 PolarHBondContact O-CD2 3.4Å
284	S	86.4	Confident	83.7	Confident	78 Å²	78	76.1 Å²	76.1	55%	0.545	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-4.9	173.6	59.3	0	0	0	0	114	T280 A281 H282 Q289	T280-S284 WeakPolarHBondContact O-CB 3.39Å; T280-S284 PolarHBondContact O-N 3.05Å; T280-S284 PolarHBondContact O-OG 3.25Å; A281-S284 WeakPolarHBondContact CA-OG 3.38Å; H282-S284 PolarHBondContact O-N 3.33Å; S284-Q289 PolarHBondContact O-NE2 3.48Å
285	G	86.9	Confident	83.9	Confident	22 Å²	22	73.3 Å²	73.3	23%	0.227	38%	0.384	C	S	.	.	S	Bend	trans	-75.1	139.5	-177.8	0	0	0	0	0	113.2	A281 H282 L283 Q287 H288 Q289	A281-G285 PolarHBondContact O-N 3.27Å; H282-G285 WeakPolarHBondContact O-CA 3.23Å; H282-G285 PolarHBondContact O-N 2.87Å; L283-G285 PolarHBondContact O-N 3.11Å; G285-Q287 PolarHBondContact O-N 2.77Å; G285-H288 PolarHBondContact O-N 3.3Å; G285-Q289 PolarHBondContact O-N 3.11Å
286	R	87.9	Confident	84.1	Confident	198 Å²	198	78.6 Å²	78.6	75%	0.747	40%	0.403	S	S	*	.	H	α-helix	trans	-52	-25.5	178.6	-71.4	-179.4	174.4	175.6	-2.3	114.9	R290	R286-R290 WeakPolarHBondContact O-CD 3.36Å; R286-R290 VanDerWaalsContact O-CG 3.23Å; R286-R290 WeakPolarHBondContact O-CG 3.2Å; R286-R290 PolarHBondContact O-N 3.3Å
287	Q	82.9	Confident	84.2	Confident	157 Å²	157	80.1 Å²	80.1	73%	0.734	40%	0.399	S	S	*	.	H	α-helix	trans	-78.5	-44.5	178	-171.2	154.6	-20.5	0	0	111.6	G285 R290 T291	G285-Q287 PolarHBondContact O-N 2.77Å; Q287-R290 PolarHBondContact O-N 3.11Å; Q287-T291 PolarHBondContact O-N 2.7Å; Q287-T291 VanDerWaalsContact O-N 3.15Å; Q287-T291 PolarHBondContact O-OG1 3.15Å
288	H	88.7	Confident	84	Confident	5 Å²	5	79 Å²	79	2%	0.023	39%	0.393	C	S	.	.	H	α-helix	trans	-62.7	-46.3	173.7	-177.8	92.1	0	0	0	111.6	C266 H282 L283 G285 R290 T291 L292	C266-H288 PolarHBondContact SG-CE1 3.29Å; C266-H288 PolarHBondContact SG-ND1 3.21Å; H282-H288 AromaticContact CD2-ND1 3.67Å; H282-H288 AromaticContact NE2-CG 3.88Å; H282-H288 AromaticContact NE2-ND1 3.26Å; H282-H288 PolarHBondContact NE2-ND1 3.25Å; H282-H288 WeakPolarHBondContact O-CB 3.39Å; L283-H288 WeakPolarHBondContact CD2-CE1 3.47Å; L283-H288 PolarHBondContact O-CD2 3.4Å; G285-H288 PolarHBondContact O-N 3.3Å; H288-R290 VanDerWaalsContact C-N 3.25Å; H288-R290 PolarHBondContact O-N 3.22Å; H288-T291 PolarHBondContact O-N 3.03Å; H288-L292 VanDerWaalsContact CD2-CD1 3.5Å; H288-L292 WeakPolarHBondContact CD2-CD1 3.47Å; H288-L292 VanDerWaalsContact NE2-CD1 3.3Å; H288-L292 WeakPolarHBondContact NE2-CD1 3.48Å; H288-L292 PolarHBondContact O-N 3.04Å
289	Q	86.2	Confident	83.2	Confident	100 Å²	100	80.5 Å²	80.5	47%	0.467	42%	0.415	S	S	.	.	H	α-helix	trans	-56.4	-36.5	175.5	-69.4	175.4	-19.3	0	0	113.1	S284 G285 K293	S284-Q289 PolarHBondContact O-NE2 3.48Å; G285-Q289 PolarHBondContact O-N 3.11Å; Q289-K293 WeakPolarHBondContact O-CB 3.25Å; Q289-K293 PolarHBondContact O-N 2.75Å
290	R	85	Confident	82.2	Confident	185 Å²	185	83.8 Å²	83.8	70%	0.698	43%	0.43	S	S	*	.	H	α-helix	trans	-68.1	-42.7	174.2	-79.1	170.5	-179.9	178.2	0.5	112.3	R286 Q287 H288 K293 L294	R286-R290 WeakPolarHBondContact O-CD 3.36Å; R286-R290 VanDerWaalsContact O-CG 3.23Å; R286-R290 WeakPolarHBondContact O-CG 3.2Å; R286-R290 PolarHBondContact O-N 3.3Å; Q287-R290 PolarHBondContact O-N 3.11Å; H288-R290 VanDerWaalsContact C-N 3.25Å; H288-R290 PolarHBondContact O-N 3.22Å; R290-K293 PolarHBondContact O-N 3.22Å; R290-L294 WeakPolarHBondContact O-CB 3.41Å; R290-L294 PolarHBondContact O-N 3.39Å
291	T	84.2	Confident	81.2	Confident	37 Å²	37	85.6 Å²	85.6	23%	0.227	44%	0.443	C	S	.	.	H	α-helix	trans	-69.7	-42	179.2	-44.7	0	0	0	0	111.8	L268 C269 Q287 H288 K293 L294 H295	L268-T291 WeakPolarHBondContact O-CG2 3.44Å; C269-T291 PolarHBondContact SG-OG1 3.28Å; Q287-T291 PolarHBondContact O-N 2.7Å; Q287-T291 VanDerWaalsContact O-N 3.15Å; Q287-T291 PolarHBondContact O-OG1 3.15Å; H288-T291 PolarHBondContact O-N 3.03Å; T291-K293 VanDerWaalsContact C-N 3.32Å; T291-K293 PolarHBondContact O-N 2.85Å; T291-L294 PolarHBondContact O-N 3.15Å; T291-H295 PolarHBondContact O-CD2 3.43Å; T291-H295 PolarHBondContact O-N 3.36Å
292	L	86	Confident	79.9	Confident	27 Å²	27	85 Å²	85	14%	0.141	43%	0.431	C	S	.	.	H	α-helix	trans	-51.7	-51.4	168.7	-97.8	176.1	0	0	0	111.2	L268 H288 L294 H295 K296	L268-L292 HydrophobicContact CD1-CD2 3.46Å; L268-L292 VanDerWaalsContact CD1-CD2 3.46Å; L268-L292 HydrophobicContact CD1-CG 3.84Å; H288-L292 VanDerWaalsContact CD2-CD1 3.5Å; H288-L292 WeakPolarHBondContact CD2-CD1 3.47Å; H288-L292 VanDerWaalsContact NE2-CD1 3.3Å; H288-L292 WeakPolarHBondContact NE2-CD1 3.48Å; H288-L292 PolarHBondContact O-N 3.04Å; L292-L294 PolarHBondContact O-N 2.86Å; L292-H295 PolarHBondContact O-N 3.43Å; L292-K296 WeakPolarHBondContact O-CG 3.29Å; L292-K296 PolarHBondContact O-N 2.99Å
293	K	84.4	Confident	78.4	Confident	67 Å²	67	86.6 Å²	86.6	29%	0.291	44%	0.444	S	S	.	.	H	α-helix	trans	-65.5	-39.6	-179	-157.3	-173.4	-170	-140.8	0	112	Q289 R290 T291 H295 K296 E297 D390	Q289-K293 WeakPolarHBondContact O-CB 3.25Å; Q289-K293 PolarHBondContact O-N 2.75Å; R290-K293 PolarHBondContact O-N 3.22Å; T291-K293 VanDerWaalsContact C-N 3.32Å; T291-K293 PolarHBondContact O-N 2.85Å; K293-H295 PolarHBondContact O-N 3.01Å; K293-K296 CarbonylContact O-C 3.56Å; K293-K296 PolarHBondContact O-N 3.39Å; K293-E297 WeakPolarHBondContact CD-OE1 3.31Å; K293-E297 WeakPolarHBondContact CE-OE1 3.35Å; K293-E297 HydrophobicContact CG-CG 4.38Å; K293-E297 IonicContact NZ-OE1 3.93Å; K293-E297 PolarHBondContact NZ-OE1 2.95Å; K293-E297 WeakPolarHBondContact O-CB 3.4Å; K293-E297 WeakPolarHBondContact O-CG 3.4Å; K293-E297 PolarHBondContact O-N 3.09Å; K293-D390 IonicContact NZ-OD1 3.66Å; K293-D390 PolarHBondContact NZ-OD1 3.11Å; K293-D390 IonicContact NZ-OD2 3.87Å; K293-D390 PolarHBondContact NZ-OD2 3.39Å
294	L	82	Confident	76.8	Confident	90 Å²	90	92.9 Å²	92.9	47%	0.471	47%	0.472	S	S	.	.	H	α-helix	trans	-63.7	-39.5	176.4	-175.3	64.8	0	0	0	111.9	R290 T291 L292 E297 L298	R290-L294 WeakPolarHBondContact O-CB 3.41Å; R290-L294 PolarHBondContact O-N 3.39Å; T291-L294 PolarHBondContact O-N 3.15Å; L292-L294 PolarHBondContact O-N 2.86Å; L294-E297 PolarHBondContact O-N 2.96Å; L294-L298 HydrophobicContact CD1-CD1 3.87Å; L294-L298 HydrophobicContact CD1-CG 4.03Å; L294-L298 HydrophobicContact CD2-CD1 4.47Å; L294-L298 HydrophobicContact CG-CD1 3.81Å; L294-L298 HydrophobicContact CG-CG 4.31Å; L294-L298 VanDerWaalsContact O-CB 3.23Å; L294-L298 WeakPolarHBondContact O-CB 3.32Å; L294-L298 WeakPolarHBondContact O-CG 3.24Å; L294-L298 PolarHBondContact O-N 3.21Å
295	H	77.9	Confident	75	Confident	51 Å²	51	92.2 Å²	92.2	24%	0.236	47%	0.465	C	S	.	.	H	α-helix	trans	-67.3	-40.7	173.5	-82.4	-122.4	0	0	0	111.9	T291 L292 K293 L298 G299 I302	T291-H295 PolarHBondContact O-CD2 3.43Å; T291-H295 PolarHBondContact O-N 3.36Å; L292-H295 PolarHBondContact O-N 3.43Å; K293-H295 PolarHBondContact O-N 3.01Å; H295-L298 PolarHBondContact O-N 2.9Å; H295-G299 PolarHBondContact O-N 3.28Å; H295-I302 HydrophobicContact CB-CD1 4.4Å; H295-I302 HydrophobicContact CB-CG1 3.87Å
296	K	82.1	Confident	72.8	Confident	122 Å²	122	95.9 Å²	95.9	53%	0.53	48%	0.479	S	S	.	.	H	α-helix	trans	-62.6	-38.4	173.5	-69.4	178.8	-177	-178.9	0	112.1	L292 K293 I302 D306	L292-K296 WeakPolarHBondContact O-CG 3.29Å; L292-K296 PolarHBondContact O-N 2.99Å; K293-K296 CarbonylContact O-C 3.56Å; K293-K296 PolarHBondContact O-N 3.39Å; K296-I302 HydrophobicContact CB-CD1 4.44Å; K296-I302 HydrophobicContact CD-CD1 4.08Å; K296-I302 VanDerWaalsContact CE-CD1 3.44Å; K296-I302 HydrophobicContact CG-CD1 3.3Å; K296-D306 IonicContact NZ-OD2 2.88Å; K296-D306 PolarHBondContact NZ-OD2 3.49Å
297	E	79	Confident	70.5	Confident	99 Å²	99	92.1 Å²	92.1	46%	0.463	47%	0.474	S	S	.	.	H	α-helix	trans	-77.8	-25.2	177.3	-72.4	179.7	-173	0	0	113.3	K293 L294 N388	K293-E297 WeakPolarHBondContact CD-OE1 3.31Å; K293-E297 WeakPolarHBondContact CE-OE1 3.35Å; K293-E297 HydrophobicContact CG-CG 4.38Å; K293-E297 IonicContact NZ-OE1 3.93Å; K293-E297 PolarHBondContact NZ-OE1 2.95Å; K293-E297 WeakPolarHBondContact O-CB 3.4Å; K293-E297 WeakPolarHBondContact O-CG 3.4Å; K293-E297 PolarHBondContact O-N 3.09Å; L294-E297 PolarHBondContact O-N 2.96Å; E297-N388 PolarHBondContact OE1-ND2 2.68Å; E297-N388 PolarHBondContact OE2-ND2 2.85Å; E297-N388 VanDerWaalsContact OE2-ND2 3.15Å
298	L	73.4	Confident	68.3	Low	97 Å²	97	88.3 Å²	88.3	51%	0.508	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	0	179.5	-71.7	178.2	0	0	0	115	L294 H295 K300	L294-L298 HydrophobicContact CD1-CD1 3.87Å; L294-L298 HydrophobicContact CD1-CG 4.03Å; L294-L298 HydrophobicContact CD2-CD1 4.47Å; L294-L298 HydrophobicContact CG-CD1 3.81Å; L294-L298 HydrophobicContact CG-CG 4.31Å; L294-L298 VanDerWaalsContact O-CB 3.23Å; L294-L298 WeakPolarHBondContact O-CB 3.32Å; L294-L298 WeakPolarHBondContact O-CG 3.24Å; L294-L298 PolarHBondContact O-N 3.21Å; H295-L298 PolarHBondContact O-N 2.9Å; L298-K300 HydrophobicContact CB-CG 4.28Å; L298-K300 PolarHBondContact O-N 3.24Å; L298-K300 VanDerWaalsContact O-N 3.1Å
299	G	63	Low	65.7	Low	72 Å²	72	94.3 Å²	94.3	74%	0.742	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	14.5	178.4	0	0	0	0	0	115.2	H295	H295-G299 PolarHBondContact O-N 3.28Å
300	K	64.8	Low	63.5	Low	120 Å²	120	94.2 Å²	94.2	52%	0.522	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-80	140.9	177.6	-65.7	-177.4	179.3	-177.1	0	109.3	L298 I302	L298-K300 HydrophobicContact CB-CG 4.28Å; L298-K300 PolarHBondContact O-N 3.24Å; L298-K300 VanDerWaalsContact O-N 3.1Å; K300-I302 PolarHBondContact O-N 2.93Å; K300-I302 VanDerWaalsContact O-N 3.16Å
301	P	61.2	Low	61.6	Low	122 Å²	122	89.6 Å²	89.6	79%	0.792	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-56.3	125.6	175.6	23.9	-33.2	0	0	0	109.6
302	I	58.2	Low	59.7	Low	47 Å²	47	89.9 Å²	89.9	24%	0.241	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-84.2	116.6	173.7	-66.2	164	0	0	0	104.8	L268 H295 K296 K300 E304	L268-I302 HydrophobicContact CD1-CG2 4.32Å; L268-I302 HydrophobicContact CD2-CG2 4.16Å; H295-I302 HydrophobicContact CB-CD1 4.4Å; H295-I302 HydrophobicContact CB-CG1 3.87Å; K296-I302 HydrophobicContact CB-CD1 4.44Å; K296-I302 HydrophobicContact CD-CD1 4.08Å; K296-I302 VanDerWaalsContact CE-CD1 3.44Å; K296-I302 HydrophobicContact CG-CD1 3.3Å; K300-I302 PolarHBondContact O-N 2.93Å; K300-I302 VanDerWaalsContact O-N 3.16Å; I302-E304 PolarHBondContact O-N 3.03Å
303	P	57.2	Low	57.6	Low	60 Å²	60	93.6 Å²	93.6	39%	0.39	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-55.3	130.6	175.9	22.6	-34.3	0	0	0	109.6	L268 T305	L268-P303 HydrophobicContact CD2-CG 3.85Å; P303-T305 VanDerWaalsContact C-N 3.29Å; P303-T305 PolarHBondContact O-N 2.79Å; P303-T305 PolarHBondContact O-OG1 2.76Å
304	E	56.4	Low	55.7	Low	195 Å²	195	93 Å²	93	91%	0.911	52%	0.521	S	S	*	.	S	Bend	trans	-64.1	86.3	-172.5	-66.6	178.1	152.4	0	0	111	I302	I302-E304 PolarHBondContact O-N 3.03Å
305	T	48.3	Very low	54.2	Low	64 Å²	64	91.4 Å²	91.4	39%	0.393	52%	0.521	S	S	.	.			trans	-136.3	9.5	-179.4	39.3	0	0	0	0	112.2	P303 D307	P303-T305 VanDerWaalsContact C-N 3.29Å; P303-T305 PolarHBondContact O-N 2.79Å; P303-T305 PolarHBondContact O-OG1 2.76Å; T305-D307 PolarHBondContact O-N 2.81Å
306	D	41.1	Very low	52.8	Low	99 Å²	99	94.3 Å²	94.3	53%	0.529	54%	0.538	S	S	.	.			trans	-80.4	1.5	169.4	-85	-8.2	0	0	0	111.8	K296 P308	K296-D306 IonicContact NZ-OD2 2.88Å; K296-D306 PolarHBondContact NZ-OD2 3.49Å; D306-P308 WeakPolarHBondContact O-CD 3.36Å
307	D	39.5	Very low	51.2	Low	119 Å²	119	94.7 Å²	94.7	64%	0.636	54%	0.543	S	S	*	.			trans	-95.5	110.6	-173.7	-128	-8.8	0	0	0	112.9	T305 L309	T305-D307 PolarHBondContact O-N 2.81Å; D307-L309 VanDerWaalsContact C-N 3.29Å; D307-L309 PolarHBondContact O-N 2.86Å; D307-L309 VanDerWaalsContact O-N 3.16Å
308	P	36	Very low	49.8	Very low	77 Å²	77	95.5 Å²	95.5	50%	0.5	55%	0.55	S	S	.	.			trans	-89.4	29.8	-168.2	37.4	-38	0	0	0	114.4	D306 V310 P311 A312	D306-P308 WeakPolarHBondContact O-CD 3.36Å; P308-V310 PolarHBondContact O-N 2.96Å; P308-P311 WeakPolarHBondContact O-CD 3.44Å; P308-A312 HydrophobicContact CB-CB 4.31Å; P308-A312 PolarHBondContact O-N 2.98Å
309	L	33.9	Very low	48.6	Very low	130 Å²	130	94.2 Å²	94.2	68%	0.681	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	14.3	-165.2	-73.6	170.9	0	0	0	116.8	D307	D307-L309 VanDerWaalsContact C-N 3.29Å; D307-L309 PolarHBondContact O-N 2.86Å; D307-L309 VanDerWaalsContact O-N 3.16Å
310	V	40.6	Very low	47.7	Very low	98 Å²	98	96.4 Å²	96.4	59%	0.594	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.6	-45.6	167.3	-171.7	0	0	0	0	112	P308 V314	P308-V310 PolarHBondContact O-N 2.96Å; V310-V314 WeakPolarHBondContact O-CG2 3.41Å
311	P	45.2	Very low	46.7	Very low	89 Å²	89	94.5 Å²	94.5	58%	0.578	56%	0.558	S	S	*	*	H	α-helix	trans	-72.7	-30	-174.7	-20.9	35.3	0	0	0	114.9	P308 A315	P308-P311 WeakPolarHBondContact O-CD 3.44Å; P311-A315 VanDerWaalsContact O-CB 3.32Å; P311-A315 WeakPolarHBondContact O-CB 3.44Å; P311-A315 PolarHBondContact O-N 3.32Å
312	A	43.6	Very low	45.9	Very low	43 Å²	43	94.1 Å²	94.1	36%	0.355	55%	0.554	S	S	.	*	H	α-helix	trans	-70.5	-48	-173.5	0	0	0	0	0	112.7	P308 V314 A315 D316	P308-A312 HydrophobicContact CB-CB 4.31Å; P308-A312 PolarHBondContact O-N 2.98Å; A312-V314 VanDerWaalsContact C-N 3.3Å; A312-V314 PolarHBondContact O-N 3.11Å; A312-A315 WeakPolarHBondContact O-CB 3.39Å; A312-A315 PolarHBondContact O-N 3.44Å; A312-A315 VanDerWaalsContact O-N 3.1Å; A312-D316 PolarHBondContact O-N 2.94Å
313	I	42.1	Very low	45	Very low	104 Å²	104	99.1 Å²	99.1	53%	0.533	58%	0.581	S	S	.	*	H	α-helix	trans	-61	-42.2	178.5	-60.7	170	0	0	0	110.2	A315 M317	I313-A315 VanDerWaalsContact C-N 3.34Å; I313-A315 PolarHBondContact O-N 3.45Å; I313-M317 HydrophobicContact CG2-CG 4.47Å; I313-M317 HydrophobicContact CG2-SD 3.83Å; I313-M317 WeakPolarHBondContact O-CB 3.26Å; I313-M317 VanDerWaalsContact O-CG 3.25Å; I313-M317 WeakPolarHBondContact O-CG 3.4Å; I313-M317 PolarHBondContact O-N 3.39Å
314	V	44.9	Very low	44.1	Very low	55 Å²	55	104.2 Å²	104.2	33%	0.333	61%	0.605	S	S	.	*	H	α-helix	trans	-67.5	-33.5	176.6	177.7	0	0	0	0	111.8	V310 A312 I318	V310-V314 WeakPolarHBondContact O-CG2 3.41Å; A312-V314 VanDerWaalsContact C-N 3.3Å; A312-V314 PolarHBondContact O-N 3.11Å; V314-I318 HydrophobicContact CG1-CD1 3.83Å; V314-I318 WeakPolarHBondContact O-CB 3.47Å; V314-I318 WeakPolarHBondContact O-CD1 3.36Å; V314-I318 WeakPolarHBondContact O-CG1 3.41Å; V314-I318 PolarHBondContact O-N 3.37Å
315	A	50.3	Low	43.1	Very low	56 Å²	56	99.9 Å²	99.9	46%	0.463	60%	0.603	S	S	.	*	H	α-helix	trans	-69	-46.5	175.3	0	0	0	0	0	112.4	P311 A312 I313 I318 A319	P311-A315 VanDerWaalsContact O-CB 3.32Å; P311-A315 WeakPolarHBondContact O-CB 3.44Å; P311-A315 PolarHBondContact O-N 3.32Å; A312-A315 WeakPolarHBondContact O-CB 3.39Å; A312-A315 PolarHBondContact O-N 3.44Å; A312-A315 VanDerWaalsContact O-N 3.1Å; I313-A315 VanDerWaalsContact C-N 3.34Å; I313-A315 PolarHBondContact O-N 3.45Å; A315-I318 PolarHBondContact O-N 2.89Å; A315-A319 WeakPolarHBondContact O-CB 3.4Å; A315-A319 PolarHBondContact O-N 3.17Å
316	D	48.3	Very low	42.5	Very low	112 Å²	112	106.6 Å²	106.6	60%	0.599	63%	0.626	S	S	*	*	H	α-helix	trans	-65.6	-41.3	178.7	-79.1	-10.5	0	0	0	111.8	A312 I318 A319 T320	A312-D316 PolarHBondContact O-N 2.94Å; D316-I318 VanDerWaalsContact C-N 3.26Å; D316-I318 PolarHBondContact O-N 2.99Å; D316-A319 PolarHBondContact O-N 2.94Å; D316-A319 VanDerWaalsContact O-N 3.14Å; D316-T320 WeakPolarHBondContact O-CG2 3.46Å; D316-T320 PolarHBondContact O-N 2.83Å; D316-T320 PolarHBondContact O-OG1 2.92Å; D316-T320 VanDerWaalsContact O-OG1 3.07Å
317	M	48.1	Very low	42.3	Very low	131 Å²	131	107.5 Å²	107.5	65%	0.645	64%	0.638	S	S	*	*	H	α-helix	trans	-68.7	-21.6	176.8	-67	-179.8	81.5	0	0	113.6	I313	I313-M317 HydrophobicContact CG2-CG 4.47Å; I313-M317 HydrophobicContact CG2-SD 3.83Å; I313-M317 WeakPolarHBondContact O-CB 3.26Å; I313-M317 VanDerWaalsContact O-CG 3.25Å; I313-M317 WeakPolarHBondContact O-CG 3.4Å; I313-M317 PolarHBondContact O-N 3.39Å
318	I	50.4	Low	42	Very low	116 Å²	116	105.5 Å²	105.5	60%	0.595	65%	0.645	S	S	*	*	H	α-helix	trans	-83.5	-31.4	170.6	-71.4	170.4	0	0	0	111	V314 A315 D316	V314-I318 HydrophobicContact CG1-CD1 3.83Å; V314-I318 WeakPolarHBondContact O-CB 3.47Å; V314-I318 WeakPolarHBondContact O-CD1 3.36Å; V314-I318 WeakPolarHBondContact O-CG1 3.41Å; V314-I318 PolarHBondContact O-N 3.37Å; A315-I318 PolarHBondContact O-N 2.89Å; D316-I318 VanDerWaalsContact C-N 3.26Å; D316-I318 PolarHBondContact O-N 2.99Å
319	A	48.2	Very low	41.8	Very low	69 Å²	69	111.3 Å²	111.3	57%	0.57	67%	0.665	S	S	*	*	H	α-helix	trans	-73.1	-33.2	177.1	0	0	0	0	0	113.2	A315 D316 A321	A315-A319 WeakPolarHBondContact O-CB 3.4Å; A315-A319 PolarHBondContact O-N 3.17Å; D316-A319 PolarHBondContact O-N 2.94Å; D316-A319 VanDerWaalsContact O-N 3.14Å; A319-A321 VanDerWaalsContact C-N 3.34Å; A319-A321 PolarHBondContact O-N 2.74Å
320	T	44.2	Very low	41.9	Very low	118 Å²	118	109.7 Å²	109.7	72%	0.724	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	0.4	-178.5	54.2	0	0	0	0	114.9	D316	D316-T320 WeakPolarHBondContact O-CG2 3.46Å; D316-T320 PolarHBondContact O-N 2.83Å; D316-T320 PolarHBondContact O-OG1 2.92Å; D316-T320 VanDerWaalsContact O-OG1 3.07Å
321	A	44.2	Very low	41.6	Very low	80 Å²	80	112.1 Å²	112.1	66%	0.661	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	15.2	-171.7	0	0	0	0	0	115.3	A319	A319-A321 VanDerWaalsContact C-N 3.34Å; A319-A321 PolarHBondContact O-N 2.74Å
322	V	43.5	Very low	41	Very low	115 Å²	115	114.1 Å²	114.1	70%	0.697	68%	0.682	S	S	*	*	S	Bend	trans	-123.8	-20.2	-169.6	-171.1	0	0	0	0	114.5
323	D	38.9	Very low	40.6	Very low	151 Å²	151	117.6 Å²	117.6	81%	0.807	69%	0.694	S	S	*	*	S	Bend	trans	-113.1	61.2	-174.1	-80.9	-54.1	0	0	0	113.5
324	D	38.6	Very low	40.3	Very low	167 Å²	167	119.8 Å²	119.8	89%	0.893	70%	0.7	S	S	*	*			trans	-160.7	79.3	165	-121.7	-24.8	0	0	0	115.5
325	A	35.5	Very low	39.7	Very low	105 Å²	105	123.5 Å²	123.5	87%	0.868	72%	0.723	S	S	*	*			trans	-166.9	134.8	156.8	0	0	0	0	0	112.1
326	K	36	Very low	38.9	Very low	205 Å²	205	128.1 Å²	128.1	89%	0.891	74%	0.74	S	S	*	*			trans	-111.2	-180	-176.2	-123.8	-159.2	164.3	-177.9	0	112.3
327	P	36	Very low	38.4	Very low	118 Å²	118	127.9 Å²	127.9	77%	0.766	75%	0.745	S	S	*	*				-122.5	-175.4	-129.6	39.6	-20.3	0	0	0	115.3
328	G	34.1	Very low	37.8	Very low	76 Å²	76	128 Å²	128	78%	0.784	75%	0.753	S	S	*	*			trans	-151.5	141.3	170.8	0	0	0	0	0	113.9
329	E	32.1	Very low	37.1	Very low	199 Å²	199	130.6 Å²	130.6	93%	0.93	76%	0.762	S	S	*	*			trans	-60.5	160.5	179	-66.9	155.9	151.1	0	0	113.9
330	A	34.5	Very low	36.6	Very low	96 Å²	96	134.9 Å²	134.9	79%	0.793	78%	0.776	S	S	*	*			cis	-149.7	-159.3	-4.4	0	0	0	0	0	107.9
331	D	34.9	Very low	36	Very low	149 Å²	149	135.6 Å²	135.6	80%	0.797	78%	0.78	S	S	*	*			cis	-156.1	179.1	6.4	-169	16.9	0	0	0	110.4
332	E	33	Very low	35.4	Very low	131 Å²	131	140.8 Å²	140.8	61%	0.612	79%	0.788	S	S	*	*			trans	-85.2	157.5	-179.6	-57.9	-166.9	160.7	0	0	115.7	K334	E332-K334 IonicContact OE2-NZ 3.31Å; E332-K334 PolarHBondContact OE2-NZ 2.95Å
333	N	34.4	Very low	35.2	Very low	116 Å²	116	142.2 Å²	142.2	62%	0.62	79%	0.789	S	S	*	*				174.8	124.5	102.5	-94.7	-79.2	0	0	0	115
334	K	37.2	Very low	35.3	Very low	151 Å²	151	144.2 Å²	144.2	66%	0.657	79%	0.79	S	S	*	*				42.3	141.8	128.8	-52.2	178.8	-177.4	71.6	0	119.6	E332	E332-K334 IonicContact OE2-NZ 3.31Å; E332-K334 PolarHBondContact OE2-NZ 2.95Å
335	T	32.5	Very low	35.2	Very low	133 Å²	133	144.7 Å²	144.7	82%	0.816	79%	0.787	S	S	*	*			cis	-159.4	165.8	22	-18.9	0	0	0	0	114.7
336	N	31.8	Very low	35.4	Very low	152 Å²	152	145.7 Å²	145.7	81%	0.813	78%	0.776	S	S	*	*			trans	-77.7	-167.7	178.6	-75.7	-36.7	0	0	0	115.4
337	P	38.4	Very low	35.6	Very low	108 Å²	108	140 Å²	140	70%	0.701	76%	0.756	S	S	*	*			cis	-136.8	178.3	-43.4	34.8	-17.4	0	0	0	114.7
338	T	35	Very low	35.8	Very low	133 Å²	133	140.9 Å²	140.9	82%	0.816	75%	0.753	S	S	*	*				-173.3	137.2	123.1	17.4	0	0	0	0	115.6
339	E	35.2	Very low	36.4	Very low	170 Å²	170	145.1 Å²	145.1	79%	0.794	75%	0.75	S	S	*	*			trans	28	113.3	152.9	-59.5	-175.1	166.7	0	0	123.3
340	N	38.3	Very low	37	Very low	160 Å²	160	143.2 Å²	143.2	86%	0.856	74%	0.741	S	S	*	*				-171.1	147.9	106.2	-105.6	-79.9	0	0	0	111.1
341	T	32.8	Very low	37.4	Very low	132 Å²	132	145 Å²	145	81%	0.81	74%	0.737	S	S	*	*			trans	-142.8	113.8	-165.5	-52.4	0	0	0	0	114.4
342	F	30.4	Very low	37.6	Very low	190 Å²	190	143.1 Å²	143.1	83%	0.833	73%	0.731	S	S	*	*			trans	-156.6	136.3	155.9	-142.9	-114.6	0	0	0	113.2
343	M	40	Very low	38.2	Very low	144 Å²	144	139.6 Å²	139.6	71%	0.709	73%	0.73	S	S	*	*			trans	48.2	93.8	169.3	-64.7	-178.4	85.4	0	0	118.7	I346	M343-I346 HydrophobicContact CE-CD1 4.39Å
344	K	40.8	Very low	38.9	Very low	193 Å²	193	139.5 Å²	139.5	84%	0.839	74%	0.735	S	S	*	*			trans	-112.6	155.8	148.5	-79.9	-172	175.2	-178.8	0	109.8
345	H	37.4	Very low	39.6	Very low	177 Å²	177	139.6 Å²	139.6	82%	0.819	74%	0.738	S	S	*	*			trans	48.2	101.4	172.4	-63.8	-78.3	0	0	0	117.8
346	I	39.1	Very low	41.2	Very low	126 Å²	126	136.6 Å²	136.6	65%	0.646	72%	0.717	S	S	*	*			trans	-98.7	117.6	144.9	-65.9	171.5	0	0	0	105.6	M343	M343-I346 HydrophobicContact CE-CD1 4.39Å
347	D	39.4	Very low	43.1	Very low	86 Å²	86	134 Å²	134	46%	0.46	71%	0.708	S	S	.	*			trans	-75	126.3	177.4	-173.4	-7.6	0	0	0	109.8	K349 Q350	D347-K349 PolarHBondContact O-N 3.01Å; D347-K349 VanDerWaalsContact O-N 3.15Å; D347-K349 PolarHBondContact OD1-N 3.01Å; D347-Q350 WeakPolarHBondContact O-CB 3.45Å; D347-Q350 PolarHBondContact O-N 3.24Å
348	L	41.5	Very low	45	Very low	136 Å²	136	129.6 Å²	129.6	71%	0.712	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-63.6	-22.5	-173.3	-170.5	57.3	0	0	0	112.5	Q350 L351	L348-Q350 PolarHBondContact O-N 3.28Å; L348-Q350 VanDerWaalsContact O-N 3.16Å; L348-L351 HydrophobicContact CD1-CD1 3.88Å; L348-L351 PolarHBondContact O-N 3.3Å; L348-L351 VanDerWaalsContact O-N 3.15Å
349	K	45	Very low	47.3	Very low	166 Å²	166	124.5 Å²	124.5	72%	0.722	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-60	-19.5	172.4	-67.8	177.4	178	176.9	0	113.9	D347 T352	D347-K349 PolarHBondContact O-N 3.01Å; D347-K349 VanDerWaalsContact O-N 3.15Å; D347-K349 PolarHBondContact OD1-N 3.01Å; K349-T352 PolarHBondContact O-OG1 2.86Å; K349-T352 VanDerWaalsContact O-OG1 3.05Å
350	Q	44.9	Very low	49.6	Very low	158 Å²	158	116.5 Å²	116.5	74%	0.738	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-84.9	-5.9	178.5	-59.9	-173.5	2.9	0	0	114.1	D347 L348	D347-Q350 WeakPolarHBondContact O-CB 3.45Å; D347-Q350 PolarHBondContact O-N 3.24Å; L348-Q350 PolarHBondContact O-N 3.28Å; L348-Q350 VanDerWaalsContact O-N 3.16Å
351	L	43.1	Very low	51.8	Low	134 Å²	134	114.7 Å²	114.7	70%	0.702	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	-19.9	178.2	-81	158.7	0	0	0	113.4	L348 G353	L348-L351 HydrophobicContact CD1-CD1 3.88Å; L348-L351 PolarHBondContact O-N 3.3Å; L348-L351 VanDerWaalsContact O-N 3.15Å; L351-G353 PolarHBondContact O-N 3.05Å
352	T	39.5	Very low	54.2	Low	110 Å²	110	114 Å²	114	68%	0.675	59%	0.587	S	S	*	*	S	Bend	trans	-78.3	98.3	161.6	42.5	0	0	0	0	109.2	K349	K349-T352 PolarHBondContact O-OG1 2.86Å; K349-T352 VanDerWaalsContact O-OG1 3.05Å
353	G	45.1	Very low	56.9	Low	57 Å²	57	108.5 Å²	108.5	59%	0.588	56%	0.561	S	S	*	*			trans	-58.6	149.4	169.6	0	0	0	0	0	111.1	L351	L351-G353 PolarHBondContact O-N 3.05Å
354	P	49.8	Very low	59	Low	113 Å²	113	103.1 Å²	103.1	73%	0.734	54%	0.535	S	S	*	.			trans	-57.2	145.5	-177.8	25.3	-35	0	0	0	110.9	L356	P354-L356 PolarHBondContact O-N 3.18Å
355	E	52.8	Low	61.1	Low	154 Å²	154	97.8 Å²	97.8	72%	0.72	51%	0.513	S	S	*	.			trans	-63.4	99.5	176.7	-71.7	-157.8	109	0	0	109.9	R397	E355-R397 IonicContact OE1-CZ 3.72Å; E355-R397 IonicContact OE1-NH1 2.97Å; E355-R397 PolarHBondContact OE1-NH1 2.94Å; E355-R397 IonicContact OE1-NH2 3.97Å
356	L	64.8	Low	63.2	Low	69 Å²	69	92.9 Å²	92.9	36%	0.361	50%	0.495	S	S	.	.			trans	-61.5	121.7	-177.6	-61.3	176.3	0	0	0	109	P354 R402	P354-L356 PolarHBondContact O-N 3.18Å; L356-R402 VanDerWaalsContact C-NH2 3.33Å; L356-R402 PolarHBondContact O-NH2 2.92Å
357	P	72.8	Confident	65.2	Low	97 Å²	97	89.7 Å²	89.7	63%	0.63	48%	0.479	S	S	*	.			trans	-59.9	146.1	-171.4	22.8	-33.9	0	0	0	111.4	V359 R402	P357-V359 PolarHBondContact O-N 2.92Å; P357-R402 VanDerWaalsContact O-CZ 3.3Å; P357-R402 PolarHBondContact O-NH1 3.05Å; P357-R402 PolarHBondContact O-NH2 3.15Å
358	A	78.3	Confident	67	Low	16 Å²	16	91.4 Å²	91.4	13%	0.132	49%	0.487	C	S	.	.			trans	-73.6	108.5	179.3	0	0	0	0	0	110.2	Q361 E393 L396 R397	A358-Q361 PolarHBondContact O-NE2 3.39Å; A358-E393 HydrophobicContact CB-CG 4.49Å; A358-L396 HydrophobicContact CB-CB 3.84Å; A358-L396 HydrophobicContact CB-CD1 3.96Å; A358-R397 HydrophobicContact CB-CG 4.09Å
359	V	83.2	Confident	68.5	Low	26 Å²	26	88 Å²	88	16%	0.158	47%	0.469	C	S	.	.			trans	-98.9	144.2	-175.7	-179.2	0	0	0	0	109.9	P357 H401 Y405 F413	P357-V359 PolarHBondContact O-N 2.92Å; V359-H401 PolarHBondContact O-CD2 3.24Å; V359-H401 VanDerWaalsContact O-CD2 3.3Å; V359-H401 PolarHBondContact O-NE2 3.03Å; V359-Y405 HydrophobicContact CG1-CD1 3.76Å; V359-Y405 HydrophobicContact CG1-CD2 3.96Å; V359-Y405 HydrophobicContact CG1-CE1 3.53Å; V359-Y405 HydrophobicContact CG1-CE2 3.77Å; V359-Y405 HydrophobicContact CG1-CG 3.97Å; V359-F413 HydrophobicContact CB-CZ 4.41Å; V359-F413 HydrophobicContact CG1-CE2 4.16Å; V359-F413 HydrophobicContact CG1-CZ 4.3Å; V359-F413 HydrophobicContact CG2-CE2 4.03Å; V359-F413 HydrophobicContact CG2-CZ 3.9Å
360	G	83.4	Confident	69.6	Low	2 Å²	2	83.8 Å²	83.8	2%	0.021	46%	0.461	C	S	.	.			trans	78	34.6	178.7	0	0	0	0	0	114.2	E362 Y363 L396 Y405	G360-E362 WeakPolarHBondContact CA-OE2 3.48Å; G360-Y363 PolarHBondContact O-N 3.33Å; G360-L396 WeakPolarHBondContact O-CD2 3.21Å; G360-Y405 VanDerWaalsContact CA-CE2 3.43Å
361	Q	83.4	Confident	70.6	Confident	123 Å²	123	82.9 Å²	82.9	58%	0.575	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-63.8	-34.6	174.3	-69.8	175.4	52.7	0	0	111	A358 Y363 L364 L396	A358-Q361 PolarHBondContact O-NE2 3.39Å; Q361-Y363 PolarHBondContact O-N 3.31Å; Q361-Y363 VanDerWaalsContact O-N 3.12Å; Q361-L364 WeakPolarHBondContact O-CB 3.49Å; Q361-L364 PolarHBondContact O-N 2.9Å; Q361-L396 HydrophobicContact CB-CD1 4.35Å; Q361-L396 HydrophobicContact CG-CD1 3.49Å; Q361-L396 VanDerWaalsContact CG-CD1 3.49Å
362	E	84.1	Confident	71.4	Confident	118 Å²	118	78.6 Å²	78.6	55%	0.551	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-61.8	-12.3	175.1	69.4	-76.9	-175.4	0	0	114.3	G360 Y405	G360-E362 WeakPolarHBondContact CA-OE2 3.48Å; E362-Y405 WeakPolarHBondContact OE1-CE2 3.35Å; E362-Y405 PolarHBondContact OE1-OH 3.35Å
363	Y	86.1	Confident	72.7	Confident	74 Å²	74	83.9 Å²	83.9	29%	0.29	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-103.4	11	175.1	-61.6	-82.3	0	0	0	114	G360 Q361 K380 L381 Y405 V409	G360-Y363 PolarHBondContact O-N 3.33Å; Q361-Y363 PolarHBondContact O-N 3.31Å; Q361-Y363 VanDerWaalsContact O-N 3.12Å; Y363-K380 PolarHBondContact O-N 3.49Å; Y363-L381 HydrophobicContact CD1-CD2 3.75Å; Y363-L381 HydrophobicContact CD1-CG 4.14Å; Y363-L381 HydrophobicContact CD2-CD1 3.73Å; Y363-L381 HydrophobicContact CD2-CD2 4.3Å; Y363-L381 HydrophobicContact CD2-CG 4.15Å; Y363-L381 HydrophobicContact CE1-CD2 4.18Å; Y363-L381 HydrophobicContact CE2-CD1 4.43Å; Y363-L381 HydrophobicContact CG-CD1 3.83Å; Y363-L381 HydrophobicContact CG-CD2 3.83Å; Y363-L381 HydrophobicContact CG-CG 3.72Å; Y363-Y405 HydrophobicContact CD2-CD2 4.47Å; Y363-Y405 HydrophobicContact CD2-CE2 4.1Å; Y363-Y405 AromaticContact CE2-CE2 3.87Å; Y363-Y405 HydrophobicContact CE2-CE2 3.87Å; Y363-V409 HydrophobicContact CD2-CG2 4.21Å; Y363-V409 HydrophobicContact CE1-CG2 4.16Å; Y363-V409 HydrophobicContact CE2-CB 4.36Å; Y363-V409 HydrophobicContact CE2-CG1 3.87Å; Y363-V409 HydrophobicContact CE2-CG2 3.55Å; Y363-V409 WeakPolarHBondContact OH-CG1 3.43Å
364	L	83.6	Confident	73.9	Confident	30 Å²	30	84.6 Å²	84.6	16%	0.157	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	117.9	168	-72.4	173.6	0	0	0	111.1	Q361 R378 C379 F386 R392 L396	Q361-L364 WeakPolarHBondContact O-CB 3.49Å; Q361-L364 PolarHBondContact O-N 2.9Å; L364-R378 CarbonylContact C-O 3.59Å; L364-R378 WeakPolarHBondContact CA-O 3.33Å; L364-C379 HydrophobicContact CD2-CB 3.72Å; L364-F386 HydrophobicContact CD2-CE2 4.45Å; L364-R392 HydrophobicContact CD1-CB 3.97Å; L364-R392 HydrophobicContact CD1-CG 4.42Å; L364-R392 HydrophobicContact CD2-CB 4.46Å; L364-L396 HydrophobicContact CD1-CD1 3.68Å; L364-L396 HydrophobicContact CD1-CD2 3.99Å; L364-L396 HydrophobicContact CD1-CG 3.95Å; L364-L396 HydrophobicContact CG-CD2 4.1Å
365	E	85.1	Confident	75.2	Confident	82 Å²	82	81.4 Å²	81.4	38%	0.383	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	139.1	162.4	-80	168.9	151.3	0	0	110.1	Y377 R378 K380	E365-Y377 CarbonylContact O-C 3.55Å; E365-Y377 VanDerWaalsContact O-CA 3.29Å; E365-Y377 WeakPolarHBondContact O-CA 3.4Å; E365-R378 PolarHBondContact N-O 3.31Å; E365-R378 PolarHBondContact O-N 2.84Å; E365-K380 VanDerWaalsContact CD-NZ 3.33Å; E365-K380 WeakPolarHBondContact OE1-CE 3.21Å; E365-K380 IonicContact OE1-NZ 2.68Å; E365-K380 PolarHBondContact OE1-NZ 3.1Å; E365-K380 WeakPolarHBondContact OE2-CE 3.38Å; E365-K380 IonicContact OE2-NZ 3.81Å
366	T	82.9	Confident	76.7	Confident	73 Å²	73	77.3 Å²	77.3	45%	0.448	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	101.4	171.8	-62.1	0	0	0	0	108.4	I368 V375 K376 Y377	T366-I368 HydrophobicContact CG2-CG1 4.18Å; T366-I368 PolarHBondContact O-N 2.69Å; T366-V375 HydrophobicContact CG2-CG1 3.31Å; T366-K376 CarbonylContact C-O 3.59Å; T366-Y377 HydrophobicContact CG2-CD1 4.15Å; T366-Y377 HydrophobicContact CG2-CE1 3.77Å; T366-Y377 WeakPolarHBondContact OG1-CD1 3.37Å; T366-Y377 WeakPolarHBondContact OG1-CE1 3.43Å
367	I	80.3	Confident	77.8	Confident	59 Å²	59	75.4 Å²	75.4	30%	0.303	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	104	179.6	-57.3	171.5	0	0	0	107.1	K376 R378	I367-K376 HydrophobicContact CB-CB 4.24Å; I367-K376 PolarHBondContact N-O 2.74Å; I367-K376 PolarHBondContact O-N 3.43Å; I367-R378 HydrophobicContact CD1-CB 3.91Å
368	I	78.4	Confident	78.6	Confident	123 Å²	123	76.4 Å²	76.4	63%	0.631	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	112.8	174.2	-54.7	176.2	0	0	0	107.1	T366 S370	T366-I368 HydrophobicContact CG2-CG1 4.18Å; T366-I368 PolarHBondContact O-N 2.69Å; I368-S370 PolarHBondContact O-N 3.02Å
369	N	72.3	Confident	79.2	Confident	64 Å²	64	75.6 Å²	75.6	34%	0.342	38%	0.38	S	S	.	.			trans	-72.8	118.7	171.2	-83.4	21.8	0	0	0	108.6	N371 S372	N369-N371 PolarHBondContact O-N 3.21Å; N369-S372 WeakPolarHBondContact CB-OG 3.23Å; N369-S372 CarbonylContact O-C 3.58Å; N369-S372 PolarHBondContact O-N 3.32Å
370	S	68.5	Low	79.4	Confident	78 Å²	78	79.3 Å²	79.3	55%	0.545	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-34.7	176.7	45.7	0	0	0	0	113.1	I368	I368-S370 PolarHBondContact O-N 3.02Å
371	N	65.5	Low	79.6	Confident	138 Å²	138	79.5 Å²	79.5	74%	0.738	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-2	-171	-56.7	27.2	0	0	0	113	N369	N369-N371 PolarHBondContact O-N 3.21Å
372	S	59.1	Low	79.7	Confident	44 Å²	44	73.6 Å²	73.6	31%	0.308	37%	0.367	S	S	.	.	S	Bend	trans	-149.1	130.1	175.1	73	0	0	0	0	109.1	N369 T374	N369-S372 WeakPolarHBondContact CB-OG 3.23Å; N369-S372 CarbonylContact O-C 3.58Å; N369-S372 PolarHBondContact O-N 3.32Å; S372-T374 PolarHBondContact O-N 3.16Å; S372-T374 PolarHBondContact OG-OG1 3.28Å; S372-T374 VanDerWaalsContact OG-OG1 3.04Å
373	K	66.9	Low	79.9	Confident	221 Å²	221	73.8 Å²	73.8	96%	0.961	37%	0.372	S	S	*	.	S	Bend	trans	-68.8	24.9	-179.3	-62.5	-179.7	-179.8	175.8	0	114.4
374	T	69.9	Low	79.9	Confident	72 Å²	72	71.7 Å²	71.7	44%	0.442	37%	0.368	S	S	.	.			trans	-88.7	131.6	172.9	69.6	0	0	0	0	110.2	S372	S372-T374 PolarHBondContact O-N 3.16Å; S372-T374 PolarHBondContact OG-OG1 3.28Å; S372-T374 VanDerWaalsContact OG-OG1 3.04Å
375	V	78.5	Confident	79.9	Confident	47 Å²	47	74.6 Å²	74.6	29%	0.285	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	108	-179.9	180	0	0	0	0	108.4	T366 Y377	T366-V375 HydrophobicContact CG2-CG1 3.31Å; V375-Y377 HydrophobicContact CG1-CE1 3.87Å; V375-Y377 HydrophobicContact CG1-CE2 4.21Å
376	K	83.7	Confident	79.9	Confident	68 Å²	68	71.2 Å²	71.2	30%	0.296	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	145.3	176	-66.8	-178.7	-178.8	-177.3	0	110.3	T366 I367	T366-K376 CarbonylContact C-O 3.59Å; I367-K376 HydrophobicContact CB-CB 4.24Å; I367-K376 PolarHBondContact N-O 2.74Å; I367-K376 PolarHBondContact O-N 3.43Å
377	Y	87.5	Confident	79.9	Confident	29 Å²	29	71.5 Å²	71.5	11%	0.114	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.8	174.7	-55.5	-78.3	0	0	0	109.8	E365 T366 V375 E385 F386 P389 R392	E365-Y377 CarbonylContact O-C 3.55Å; E365-Y377 VanDerWaalsContact O-CA 3.29Å; E365-Y377 WeakPolarHBondContact O-CA 3.4Å; T366-Y377 HydrophobicContact CG2-CD1 4.15Å; T366-Y377 HydrophobicContact CG2-CE1 3.77Å; T366-Y377 WeakPolarHBondContact OG1-CD1 3.37Å; T366-Y377 WeakPolarHBondContact OG1-CE1 3.43Å; V375-Y377 HydrophobicContact CG1-CE1 3.87Å; V375-Y377 HydrophobicContact CG1-CE2 4.21Å; Y377-E385 CarbonylContact O-C 3.59Å; Y377-E385 VanDerWaalsContact O-CA 3.3Å; Y377-E385 WeakPolarHBondContact O-CA 3.32Å; Y377-F386 PolarHBondContact N-O 3.02Å; Y377-F386 WeakPolarHBondContact O-CD2 3.11Å; Y377-F386 PolarHBondContact O-N 3.2Å; Y377-P389 HydrophobicContact CE2-CB 4.43Å; Y377-R392 HydrophobicContact CD2-CB 4.25Å; Y377-R392 HydrophobicContact CD2-CG 4.04Å; Y377-R392 HydrophobicContact CE2-CG 4.41Å; Y377-R392 HydrophobicContact CG-CB 4.13Å; Y377-R392 HydrophobicContact CG-CG 4.14Å
378	R	89.2	Confident	80	Confident	117 Å²	117	71.2 Å²	71.2	44%	0.442	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.2	178.4	179.2	-176.1	-85	-154.2	-1.7	110.2	L364 E365 I367 C384 E385	L364-R378 CarbonylContact C-O 3.59Å; L364-R378 WeakPolarHBondContact CA-O 3.33Å; E365-R378 PolarHBondContact N-O 3.31Å; E365-R378 PolarHBondContact O-N 2.84Å; I367-R378 HydrophobicContact CD1-CB 3.91Å; R378-C384 WeakPolarHBondContact CA-O 3.3Å; R378-E385 HydrophobicContact CB-CG 4.36Å; R378-E385 HydrophobicContact CG-CG 4.3Å; R378-E385 IonicContact CZ-OE1 3.18Å; R378-E385 IonicContact NE-OE1 2.83Å; R378-E385 PolarHBondContact NE-OE1 3.49Å; R378-E385 IonicContact NH2-OE1 2.69Å; R378-E385 PolarHBondContact NH2-OE1 3.26Å
379	C	91.2	Very high	80.3	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	112.6	-179.4	179.9	0	0	0	0	112.6	L364 L381 C382 D383 C384 F386 H395 H401	L364-C379 HydrophobicContact CD2-CB 3.72Å; C379-L381 PolarHBondContact O-N 2.96Å; C379-C382 HydrophobicContact CB-CB 4.26Å; C379-C382 PolarHBondContact O-N 3.41Å; C379-D383 WeakPolarHBondContact O-CA 3.35Å; C379-D383 PolarHBondContact O-N 2.97Å; C379-C384 PolarHBondContact N-O 3.14Å; C379-F386 HydrophobicContact CB-CE2 4.14Å; C379-H395 PolarHBondContact SG-NE2 2.94Å; C379-H395 VanDerWaalsContact SG-NE2 3.41Å; C379-H401 PolarHBondContact SG-CE1 3.27Å; C379-H401 PolarHBondContact SG-ND1 3.49Å; C379-H401 VanDerWaalsContact SG-ND1 3.38Å
380	K	87.3	Confident	80.8	Confident	104 Å²	104	69.1 Å²	69.1	45%	0.452	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-21	179.2	-63.8	-169.7	179.4	-175.7	0	114.7	Y363 E365 K408	Y363-K380 PolarHBondContact O-N 3.49Å; E365-K380 VanDerWaalsContact CD-NZ 3.33Å; E365-K380 WeakPolarHBondContact OE1-CE 3.21Å; E365-K380 IonicContact OE1-NZ 2.68Å; E365-K380 PolarHBondContact OE1-NZ 3.1Å; E365-K380 WeakPolarHBondContact OE2-CE 3.38Å; E365-K380 IonicContact OE2-NZ 3.81Å; K380-K408 PolarHBondContact O-NZ 2.89Å
381	L	88.1	Confident	81.5	Confident	5 Å²	5	67.5 Å²	67.5	3%	0.026	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-31	178.6	-57.9	-177	0	0	0	111.9	Y363 C379 Q404 Y405 K408 V409	Y363-L381 HydrophobicContact CD1-CD2 3.75Å; Y363-L381 HydrophobicContact CD1-CG 4.14Å; Y363-L381 HydrophobicContact CD2-CD1 3.73Å; Y363-L381 HydrophobicContact CD2-CD2 4.3Å; Y363-L381 HydrophobicContact CD2-CG 4.15Å; Y363-L381 HydrophobicContact CE1-CD2 4.18Å; Y363-L381 HydrophobicContact CE2-CD1 4.43Å; Y363-L381 HydrophobicContact CG-CD1 3.83Å; Y363-L381 HydrophobicContact CG-CD2 3.83Å; Y363-L381 HydrophobicContact CG-CG 3.72Å; C379-L381 PolarHBondContact O-N 2.96Å; L381-Q404 HydrophobicContact CB-CB 4.36Å; L381-Q404 PolarHBondContact O-NE2 3.39Å; L381-Y405 HydrophobicContact CD1-CD2 3.53Å; L381-Y405 HydrophobicContact CD1-CE2 4.39Å; L381-Y405 HydrophobicContact CD1-CG 4.29Å; L381-K408 HydrophobicContact CB-CD 4.4Å; L381-K408 HydrophobicContact CD2-CB 3.92Å; L381-K408 HydrophobicContact CD2-CD 3.95Å; L381-K408 WeakPolarHBondContact O-CE 3.38Å; L381-K408 PolarHBondContact O-NZ 2.96Å; L381-V409 HydrophobicContact CD1-CG2 3.84Å; L381-V409 HydrophobicContact CD2-CG2 3.59Å; L381-V409 HydrophobicContact CG-CG2 4.39Å
382	C	86.3	Confident	82.5	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-12.4	-166.4	-66.4	0	0	0	0	115.4	C379 C384 H395 H401	C379-C382 HydrophobicContact CB-CB 4.26Å; C379-C382 PolarHBondContact O-N 3.41Å; C382-C384 VanDerWaalsContact C-N 3.27Å; C382-C384 HydrophobicContact CB-CB 4.37Å; C382-C384 PolarHBondContact O-N 3.49Å; C382-C384 PolarHBondContact O-SG 3.35Å; C382-H395 WeakPolarHBondContact CB-CE1 3.46Å; C382-H395 VanDerWaalsContact CB-NE2 3.32Å; C382-H395 WeakPolarHBondContact CB-NE2 3.41Å; C382-H395 PolarHBondContact SG-CE1 2.94Å; C382-H395 PolarHBondContact SG-NE2 3.16Å; C382-H395 VanDerWaalsContact SG-NE2 3.43Å; C382-H401 VanDerWaalsContact SG-CA 3.55Å; C382-H401 PolarHBondContact SG-ND1 2.72Å; C382-H401 VanDerWaalsContact SG-ND1 3.36Å
383	D	87.2	Confident	83.8	Confident	122 Å²	122	66.7 Å²	66.7	65%	0.652	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	43.5	178.6	-48.5	-60.2	0	0	0	111	C379 K408	C379-D383 WeakPolarHBondContact O-CA 3.35Å; C379-D383 PolarHBondContact O-N 2.97Å; D383-K408 IonicContact OD2-NZ 3.45Å; D383-K408 PolarHBondContact OD2-NZ 3.25Å
384	C	85.7	Confident	84.6	Confident	29 Å²	29	60.6 Å²	60.6	20%	0.196	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	140.4	-176.4	-67.8	0	0	0	0	110.6	R378 C379 C382 F386	R378-C384 WeakPolarHBondContact CA-O 3.3Å; C379-C384 PolarHBondContact N-O 3.14Å; C382-C384 VanDerWaalsContact C-N 3.27Å; C382-C384 HydrophobicContact CB-CB 4.37Å; C382-C384 PolarHBondContact O-N 3.49Å; C382-C384 PolarHBondContact O-SG 3.35Å; C384-F386 HydrophobicContact CB-CE1 4.04Å; C384-F386 HydrophobicContact CB-CE2 4.02Å; C384-F386 HydrophobicContact CB-CZ 3.36Å; C384-F386 WeakPolarHBondContact O-CE2 3.5Å
385	E	85.4	Confident	85.6	Confident	92 Å²	92	58.4 Å²	58.4	43%	0.43	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	150.4	174.4	-59.1	-162.8	158.3	0	0	112.7	Y377 R378	Y377-E385 CarbonylContact O-C 3.59Å; Y377-E385 VanDerWaalsContact O-CA 3.3Å; Y377-E385 WeakPolarHBondContact O-CA 3.32Å; R378-E385 HydrophobicContact CB-CG 4.36Å; R378-E385 HydrophobicContact CG-CG 4.3Å; R378-E385 IonicContact CZ-OE1 3.18Å; R378-E385 IonicContact NE-OE1 2.83Å; R378-E385 PolarHBondContact NE-OE1 3.49Å; R378-E385 IonicContact NH2-OE1 2.69Å; R378-E385 PolarHBondContact NH2-OE1 3.26Å
386	F	85.1	Confident	86.1	Confident	11 Å²	11	56.4 Å²	56.4	5%	0.048	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	123	-179.2	-40.7	-78.3	0	0	0	110.5	L364 Y377 C379 C384 R392 H395	L364-F386 HydrophobicContact CD2-CE2 4.45Å; Y377-F386 PolarHBondContact N-O 3.02Å; Y377-F386 WeakPolarHBondContact O-CD2 3.11Å; Y377-F386 PolarHBondContact O-N 3.2Å; C379-F386 HydrophobicContact CB-CE2 4.14Å; C384-F386 HydrophobicContact CB-CE1 4.04Å; C384-F386 HydrophobicContact CB-CE2 4.02Å; C384-F386 HydrophobicContact CB-CZ 3.36Å; C384-F386 WeakPolarHBondContact O-CE2 3.5Å; F386-R392 HydrophobicContact CB-CB 4.45Å; F386-R392 HydrophobicContact CD2-CB 4.08Å; F386-R392 HydrophobicContact CG-CB 4.4Å; F386-H395 HydrophobicContact CD1-CB 4.38Å; F386-H395 HydrophobicContact CE1-CB 3.63Å; F386-H395 AromaticContact CE1-CG 3.75Å; F386-H395 HydrophobicContact CE2-CB 4.05Å; F386-H395 AromaticContact CE2-CD2 3.56Å; F386-H395 AromaticContact CE2-CG 3.78Å; F386-H395 HydrophobicContact CZ-CB 3.45Å; F386-H395 VanDerWaalsContact CZ-CB 3.45Å; F386-H395 AromaticContact CZ-CD2 3.33Å; F386-H395 WeakPolarHBondContact CZ-CD2 3.41Å; F386-H395 AromaticContact CZ-CE1 3.82Å; F386-H395 AromaticContact CZ-CG 3.12Å; F386-H395 AromaticContact CZ-ND1 3.48Å; F386-H395 WeakPolarHBondContact CZ-ND1 3.14Å; F386-H395 AromaticContact CZ-NE2 3.75Å
387	S	82.6	Confident	86.2	Confident	78 Å²	78	56.9 Å²	56.9	55%	0.545	29%	0.29	S	S	.	.	S	Bend	trans	-80.3	-17.2	174.4	-49.2	0	0	0	0	113.8
388	N	81.9	Confident	86	Confident	54 Å²	54	56.7 Å²	56.7	29%	0.289	30%	0.297	S	S	.	.	S	Bend	trans	-118	140.7	-171.3	-57.6	56.5	0	0	0	111	E297 D390 S391 R392	E297-N388 PolarHBondContact OE1-ND2 2.68Å; E297-N388 PolarHBondContact OE2-ND2 2.85Å; E297-N388 VanDerWaalsContact OE2-ND2 3.15Å; N388-D390 VanDerWaalsContact C-N 3.32Å; N388-D390 PolarHBondContact O-N 3.07Å; N388-S391 WeakPolarHBondContact O-CB 3.46Å; N388-S391 PolarHBondContact O-N 3.11Å; N388-R392 PolarHBondContact O-N 3.26Å
389	P	83.8	Confident	85.8	Confident	61 Å²	61	56.8 Å²	56.8	40%	0.396	30%	0.298	S	S	.	.	H	α-helix	trans	-62.1	-35.4	-178.2	22.9	-32.1	0	0	0	113.3	Y377 S391 R392 E393	Y377-P389 HydrophobicContact CE2-CB 4.43Å; P389-S391 PolarHBondContact O-N 3.32Å; P389-R392 WeakPolarHBondContact O-CG 3.47Å; P389-R392 PolarHBondContact O-N 3.5Å; P389-E393 PolarHBondContact O-N 3.36Å
390	D	83	Confident	85.7	Confident	81 Å²	81	64.1 Å²	64.1	43%	0.433	33%	0.325	S	S	.	.	H	α-helix	trans	-63.7	-32.9	175.3	-38.7	24.1	0	0	0	111.1	K293 N388 E393 C394	K293-D390 IonicContact NZ-OD1 3.66Å; K293-D390 PolarHBondContact NZ-OD1 3.11Å; K293-D390 IonicContact NZ-OD2 3.87Å; K293-D390 PolarHBondContact NZ-OD2 3.39Å; N388-D390 VanDerWaalsContact C-N 3.32Å; N388-D390 PolarHBondContact O-N 3.07Å; D390-E393 PolarHBondContact O-N 3.33Å; D390-C394 WeakPolarHBondContact O-CB 3.49Å; D390-C394 PolarHBondContact O-N 2.86Å
391	S	83.8	Confident	85.8	Confident	44 Å²	44	59.2 Å²	59.2	31%	0.308	30%	0.304	S	S	.	.	H	α-helix	trans	-75.9	-37.8	-177.7	-75.3	0	0	0	0	112.3	N388 P389 E393 H395	N388-S391 WeakPolarHBondContact O-CB 3.46Å; N388-S391 PolarHBondContact O-N 3.11Å; P389-S391 PolarHBondContact O-N 3.32Å; S391-E393 VanDerWaalsContact C-N 3.29Å; S391-H395 VanDerWaalsContact O-CB 3.24Å; S391-H395 WeakPolarHBondContact O-CB 3.32Å; S391-H395 PolarHBondContact O-N 3.13Å
392	R	86.8	Confident	85.9	Confident	89 Å²	89	59.5 Å²	59.5	34%	0.336	31%	0.305	S	S	.	.	H	α-helix	trans	-62.3	-40.1	169.1	63	165.1	-168	-177.5	7	110.7	L364 Y377 F386 N388 P389 H395 L396	L364-R392 HydrophobicContact CD1-CB 3.97Å; L364-R392 HydrophobicContact CD1-CG 4.42Å; L364-R392 HydrophobicContact CD2-CB 4.46Å; Y377-R392 HydrophobicContact CD2-CB 4.25Å; Y377-R392 HydrophobicContact CD2-CG 4.04Å; Y377-R392 HydrophobicContact CE2-CG 4.41Å; Y377-R392 HydrophobicContact CG-CB 4.13Å; Y377-R392 HydrophobicContact CG-CG 4.14Å; F386-R392 HydrophobicContact CB-CB 4.45Å; F386-R392 HydrophobicContact CD2-CB 4.08Å; F386-R392 HydrophobicContact CG-CB 4.4Å; N388-R392 PolarHBondContact O-N 3.26Å; P389-R392 WeakPolarHBondContact O-CG 3.47Å; P389-R392 PolarHBondContact O-N 3.5Å; R392-H395 WeakPolarHBondContact O-CB 3.39Å; R392-H395 PolarHBondContact O-N 3.28Å; R392-L396 WeakPolarHBondContact O-CG 3.48Å; R392-L396 PolarHBondContact O-N 3.4Å
393	E	85.3	Confident	85.9	Confident	76 Å²	76	63.4 Å²	63.4	36%	0.355	32%	0.323	S	S	.	.	H	α-helix	trans	-75.2	-43.7	-174	-149	-147.5	154.5	0	0	112	A358 P389 D390 S391 H395 L396 R397	A358-E393 HydrophobicContact CB-CG 4.49Å; P389-E393 PolarHBondContact O-N 3.36Å; D390-E393 PolarHBondContact O-N 3.33Å; S391-E393 VanDerWaalsContact C-N 3.29Å; E393-H395 PolarHBondContact O-N 2.85Å; E393-L396 PolarHBondContact O-N 2.79Å; E393-R397 WeakPolarHBondContact O-CB 3.48Å; E393-R397 WeakPolarHBondContact O-CG 3.41Å; E393-R397 PolarHBondContact O-N 3.39Å; E393-R397 IonicContact OE1-CZ 3.18Å; E393-R397 IonicContact OE1-NE 2.88Å; E393-R397 PolarHBondContact OE1-NE 3.29Å; E393-R397 IonicContact OE1-NH2 2.9Å; E393-R397 PolarHBondContact OE1-NH2 2.8Å; E393-R397 IonicContact OE2-CZ 3.69Å; E393-R397 IonicContact OE2-NE 3.81Å; E393-R397 IonicContact OE2-NH2 2.79Å; E393-R397 PolarHBondContact OE2-NH2 2.97Å
394	C	84.6	Confident	86	Confident	93 Å²	93	59.4 Å²	59.4	63%	0.628	30%	0.3	S	S	*	.	H	α-helix	trans	-57.3	-36.4	169.8	-176.9	0	0	0	0	111.7	D390 G398	D390-C394 WeakPolarHBondContact O-CB 3.49Å; D390-C394 PolarHBondContact O-N 2.86Å; C394-G398 PolarHBondContact O-N 3.37Å
395	H	89.9	Confident	86.2	Confident	26 Å²	26	59.5 Å²	59.5	12%	0.12	30%	0.297	C	S	.	.	H	α-helix	trans	-64.9	-52.1	173	174.8	71.7	0	0	0	112.8	C379 C382 F386 S391 R392 E393 R397 G398 H401	C379-H395 PolarHBondContact SG-NE2 2.94Å; C379-H395 VanDerWaalsContact SG-NE2 3.41Å; C382-H395 WeakPolarHBondContact CB-CE1 3.46Å; C382-H395 VanDerWaalsContact CB-NE2 3.32Å; C382-H395 WeakPolarHBondContact CB-NE2 3.41Å; C382-H395 PolarHBondContact SG-CE1 2.94Å; C382-H395 PolarHBondContact SG-NE2 3.16Å; C382-H395 VanDerWaalsContact SG-NE2 3.43Å; F386-H395 HydrophobicContact CD1-CB 4.38Å; F386-H395 HydrophobicContact CE1-CB 3.63Å; F386-H395 AromaticContact CE1-CG 3.75Å; F386-H395 HydrophobicContact CE2-CB 4.05Å; F386-H395 AromaticContact CE2-CD2 3.56Å; F386-H395 AromaticContact CE2-CG 3.78Å; F386-H395 HydrophobicContact CZ-CB 3.45Å; F386-H395 VanDerWaalsContact CZ-CB 3.45Å; F386-H395 AromaticContact CZ-CD2 3.33Å; F386-H395 WeakPolarHBondContact CZ-CD2 3.41Å; F386-H395 AromaticContact CZ-CE1 3.82Å; F386-H395 AromaticContact CZ-CG 3.12Å; F386-H395 AromaticContact CZ-ND1 3.48Å; F386-H395 WeakPolarHBondContact CZ-ND1 3.14Å; F386-H395 AromaticContact CZ-NE2 3.75Å; S391-H395 VanDerWaalsContact O-CB 3.24Å; S391-H395 WeakPolarHBondContact O-CB 3.32Å; S391-H395 PolarHBondContact O-N 3.13Å; R392-H395 WeakPolarHBondContact O-CB 3.39Å; R392-H395 PolarHBondContact O-N 3.28Å; E393-H395 PolarHBondContact O-N 2.85Å; H395-R397 VanDerWaalsContact C-N 3.29Å; H395-R397 PolarHBondContact O-N 3.41Å; H395-G398 WeakPolarHBondContact O-CA 3.25Å; H395-G398 PolarHBondContact O-N 3.41Å; H395-H401 AromaticContact CD2-ND1 3.89Å; H395-H401 AromaticContact NE2-ND1 3.44Å; H395-H401 PolarHBondContact NE2-ND1 2.9Å; H395-H401 WeakPolarHBondContact O-CB 3.37Å
396	L	89.1	Confident	86.5	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-58.9	-39.8	178.1	-68.2	-179.3	0	0	0	112.4	A358 G360 Q361 L364 R392 E393 G398 H401	A358-L396 HydrophobicContact CB-CB 3.84Å; A358-L396 HydrophobicContact CB-CD1 3.96Å; G360-L396 WeakPolarHBondContact O-CD2 3.21Å; Q361-L396 HydrophobicContact CB-CD1 4.35Å; Q361-L396 HydrophobicContact CG-CD1 3.49Å; Q361-L396 VanDerWaalsContact CG-CD1 3.49Å; L364-L396 HydrophobicContact CD1-CD1 3.68Å; L364-L396 HydrophobicContact CD1-CD2 3.99Å; L364-L396 HydrophobicContact CD1-CG 3.95Å; L364-L396 HydrophobicContact CG-CD2 4.1Å; R392-L396 WeakPolarHBondContact O-CG 3.48Å; R392-L396 PolarHBondContact O-N 3.4Å; E393-L396 PolarHBondContact O-N 2.79Å; L396-G398 PolarHBondContact O-N 3.27Å; L396-H401 VanDerWaalsContact CD2-CE1 3.45Å; L396-H401 WeakPolarHBondContact CD2-CE1 3.3Å; L396-H401 VanDerWaalsContact CD2-NE2 3.28Å; L396-H401 WeakPolarHBondContact CD2-NE2 3.47Å; L396-H401 PolarHBondContact O-CD2 2.86Å
397	R	85.7	Confident	86.7	Confident	78 Å²	78	67 Å²	67	29%	0.294	33%	0.328	S	S	.	.	H	α-helix	trans	-70	-22.7	176	-65.5	-163.8	-115.5	167.9	-3.4	112.1	E355 A358 E393 H395 R402	E355-R397 IonicContact OE1-CZ 3.72Å; E355-R397 IonicContact OE1-NH1 2.97Å; E355-R397 PolarHBondContact OE1-NH1 2.94Å; E355-R397 IonicContact OE1-NH2 3.97Å; A358-R397 HydrophobicContact CB-CG 4.09Å; E393-R397 WeakPolarHBondContact O-CB 3.48Å; E393-R397 WeakPolarHBondContact O-CG 3.41Å; E393-R397 PolarHBondContact O-N 3.39Å; E393-R397 IonicContact OE1-CZ 3.18Å; E393-R397 IonicContact OE1-NE 2.88Å; E393-R397 PolarHBondContact OE1-NE 3.29Å; E393-R397 IonicContact OE1-NH2 2.9Å; E393-R397 PolarHBondContact OE1-NH2 2.8Å; E393-R397 IonicContact OE2-CZ 3.69Å; E393-R397 IonicContact OE2-NE 3.81Å; E393-R397 IonicContact OE2-NH2 2.79Å; E393-R397 PolarHBondContact OE2-NH2 2.97Å; H395-R397 VanDerWaalsContact C-N 3.29Å; H395-R397 PolarHBondContact O-N 3.41Å; R397-R402 PolarHBondContact O-NE 3.38Å; R397-R402 PolarHBondContact O-NH2 2.72Å
398	G	84.5	Confident	86.9	Confident	26 Å²	26	68.5 Å²	68.5	27%	0.268	33%	0.325	S	S	.	.	S	Bend	trans	-71	146.3	-173.3	0	0	0	0	0	116.1	C394 H395 L396 R400 H401 R402	C394-G398 PolarHBondContact O-N 3.37Å; H395-G398 WeakPolarHBondContact O-CA 3.25Å; H395-G398 PolarHBondContact O-N 3.41Å; L396-G398 PolarHBondContact O-N 3.27Å; G398-R400 VanDerWaalsContact C-N 3.33Å; G398-R400 PolarHBondContact O-N 2.95Å; G398-H401 PolarHBondContact O-N 3.44Å; G398-H401 VanDerWaalsContact O-N 3.15Å; G398-R402 PolarHBondContact O-N 3.43Å; G398-R402 VanDerWaalsContact O-N 3.12Å
399	R	85.1	Confident	87.1	Confident	118 Å²	118	68 Å²	68	45%	0.445	32%	0.323	S	S	.	.	H	α-helix	trans	-60.5	-33.7	-174.3	-169.8	173.5	-176.4	-112.6	-2.4	114.4	Q403 V415	R399-Q403 WeakPolarHBondContact O-CB 3.15Å; R399-Q403 VanDerWaalsContact O-CG 3.28Å; R399-Q403 WeakPolarHBondContact O-CG 3.29Å; R399-Q403 PolarHBondContact O-N 2.74Å; R399-V415 HydrophobicContact CG-CG1 4.35Å
400	R	87.6	Confident	87.1	Confident	154 Å²	154	67.7 Å²	67.7	58%	0.581	32%	0.319	S	S	*	.	H	α-helix	trans	-64	-45.7	176.3	176.9	173.6	171.6	179.4	-4.3	111	G398 Q403 Q404	G398-R400 VanDerWaalsContact C-N 3.33Å; G398-R400 PolarHBondContact O-N 2.95Å; R400-Q403 PolarHBondContact O-N 2.97Å; R400-Q404 WeakPolarHBondContact O-CG 3.43Å; R400-Q404 PolarHBondContact O-N 2.93Å
401	H	90.7	Very high	87.2	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-62.9	-48.4	176.8	-177.8	81.2	0	0	0	111.9	V359 C379 C382 H395 L396 G398 Q403 Q404 Y405	V359-H401 PolarHBondContact O-CD2 3.24Å; V359-H401 VanDerWaalsContact O-CD2 3.3Å; V359-H401 PolarHBondContact O-NE2 3.03Å; C379-H401 PolarHBondContact SG-CE1 3.27Å; C379-H401 PolarHBondContact SG-ND1 3.49Å; C379-H401 VanDerWaalsContact SG-ND1 3.38Å; C382-H401 VanDerWaalsContact SG-CA 3.55Å; C382-H401 PolarHBondContact SG-ND1 2.72Å; C382-H401 VanDerWaalsContact SG-ND1 3.36Å; H395-H401 AromaticContact CD2-ND1 3.89Å; H395-H401 AromaticContact NE2-ND1 3.44Å; H395-H401 PolarHBondContact NE2-ND1 2.9Å; H395-H401 WeakPolarHBondContact O-CB 3.37Å; L396-H401 VanDerWaalsContact CD2-CE1 3.45Å; L396-H401 WeakPolarHBondContact CD2-CE1 3.3Å; L396-H401 VanDerWaalsContact CD2-NE2 3.28Å; L396-H401 WeakPolarHBondContact CD2-NE2 3.47Å; L396-H401 PolarHBondContact O-CD2 2.86Å; G398-H401 PolarHBondContact O-N 3.44Å; G398-H401 VanDerWaalsContact O-N 3.15Å; H401-Q403 PolarHBondContact O-N 2.69Å; H401-Q404 CarbonylContact O-C 3.58Å; H401-Q404 PolarHBondContact O-N 2.87Å; H401-Y405 PolarHBondContact O-N 3.17Å
402	R	89	Confident	87.1	Confident	11 Å²	11	70.8 Å²	70.8	4%	0.042	34%	0.344	C	S	.	.	H	α-helix	trans	-56.4	-37	174.8	-65.2	-175.6	-167.5	-84.2	-7.8	113.1	L356 P357 R397 G398 K406 F413 V415	L356-R402 VanDerWaalsContact C-NH2 3.33Å; L356-R402 PolarHBondContact O-NH2 2.92Å; P357-R402 VanDerWaalsContact O-CZ 3.3Å; P357-R402 PolarHBondContact O-NH1 3.05Å; P357-R402 PolarHBondContact O-NH2 3.15Å; R397-R402 PolarHBondContact O-NE 3.38Å; R397-R402 PolarHBondContact O-NH2 2.72Å; G398-R402 PolarHBondContact O-N 3.43Å; G398-R402 VanDerWaalsContact O-N 3.12Å; R402-K406 PolarHBondContact O-N 2.93Å; R402-F413 HydrophobicContact CB-CE1 4.19Å; R402-F413 HydrophobicContact CG-CE1 4.41Å; R402-V415 HydrophobicContact CB-CG1 3.76Å; R402-V415 HydrophobicContact CB-CG2 4.07Å; R402-V415 VanDerWaalsContact O-CG2 3.27Å; R402-V415 WeakPolarHBondContact O-CG2 3.47Å
403	Q	87.9	Confident	87	Confident	82 Å²	82	68.6 Å²	68.6	38%	0.383	34%	0.337	S	S	.	.	H	α-helix	trans	-69.5	-36.4	173.8	-75.2	178.6	-17.4	0	0	113.2	R399 R400 H401 K407 V415	R399-Q403 WeakPolarHBondContact O-CB 3.15Å; R399-Q403 VanDerWaalsContact O-CG 3.28Å; R399-Q403 WeakPolarHBondContact O-CG 3.29Å; R399-Q403 PolarHBondContact O-N 2.74Å; R400-Q403 PolarHBondContact O-N 2.97Å; H401-Q403 PolarHBondContact O-N 2.69Å; Q403-K407 WeakPolarHBondContact O-CB 3.27Å; Q403-K407 WeakPolarHBondContact O-CG 3.35Å; Q403-K407 PolarHBondContact O-N 3.37Å; Q403-K407 VanDerWaalsContact O-N 3.15Å; Q403-V415 HydrophobicContact CG-CG1 4.08Å
404	Q	87.9	Confident	86.6	Confident	38 Å²	38	71.6 Å²	71.6	18%	0.178	35%	0.354	C	S	.	.	H	α-helix	trans	-74.9	-33.6	176.2	-67.8	-176.6	-111.3	0	0	111.3	L381 R400 H401 K407 K408	L381-Q404 HydrophobicContact CB-CB 4.36Å; L381-Q404 PolarHBondContact O-NE2 3.39Å; R400-Q404 WeakPolarHBondContact O-CG 3.43Å; R400-Q404 PolarHBondContact O-N 2.93Å; H401-Q404 CarbonylContact O-C 3.58Å; H401-Q404 PolarHBondContact O-N 2.87Å; Q404-K407 PolarHBondContact O-N 3.46Å; Q404-K408 WeakPolarHBondContact O-CB 3.29Å; Q404-K408 PolarHBondContact O-N 3.17Å
405	Y	90.9	Very high	86.2	Confident	32 Å²	32	68.6 Å²	68.6	13%	0.125	33%	0.333	C	S	.	.	H	α-helix	trans	-59.8	-50.1	168.3	-164.3	-89.6	0	0	0	111.9	V359 G360 E362 Y363 L381 H401 K407 K408 V409 D410 F413	V359-Y405 HydrophobicContact CG1-CD1 3.76Å; V359-Y405 HydrophobicContact CG1-CD2 3.96Å; V359-Y405 HydrophobicContact CG1-CE1 3.53Å; V359-Y405 HydrophobicContact CG1-CE2 3.77Å; V359-Y405 HydrophobicContact CG1-CG 3.97Å; G360-Y405 VanDerWaalsContact CA-CE2 3.43Å; E362-Y405 WeakPolarHBondContact OE1-CE2 3.35Å; E362-Y405 PolarHBondContact OE1-OH 3.35Å; Y363-Y405 HydrophobicContact CD2-CD2 4.47Å; Y363-Y405 HydrophobicContact CD2-CE2 4.1Å; Y363-Y405 AromaticContact CE2-CE2 3.87Å; Y363-Y405 HydrophobicContact CE2-CE2 3.87Å; L381-Y405 HydrophobicContact CD1-CD2 3.53Å; L381-Y405 HydrophobicContact CD1-CE2 4.39Å; L381-Y405 HydrophobicContact CD1-CG 4.29Å; H401-Y405 PolarHBondContact O-N 3.17Å; Y405-K407 PolarHBondContact O-N 2.91Å; Y405-K408 PolarHBondContact O-N 3.46Å; Y405-V409 HydrophobicContact CD1-CB 4.25Å; Y405-V409 HydrophobicContact CD2-CB 4.07Å; Y405-V409 HydrophobicContact CD2-CG1 4.4Å; Y405-V409 HydrophobicContact CD2-CG2 3.9Å; Y405-V409 HydrophobicContact CE1-CB 4.19Å; Y405-V409 HydrophobicContact CE1-CG1 4.05Å; Y405-V409 HydrophobicContact CE2-CB 3.99Å; Y405-V409 HydrophobicContact CE2-CG1 3.8Å; Y405-V409 HydrophobicContact CE2-CG2 4.01Å; Y405-V409 HydrophobicContact CG-CB 4.2Å; Y405-V409 HydrophobicContact CG-CG2 4.34Å; Y405-V409 WeakPolarHBondContact O-CA 3.49Å; Y405-V409 WeakPolarHBondContact O-CB 3.29Å; Y405-V409 PolarHBondContact O-N 3.26Å; Y405-D410 HydrophobicContact CE1-CB 4.11Å; Y405-D410 PolarHBondContact O-N 2.82Å; Y405-D410 VanDerWaalsContact O-N 3.16Å; Y405-F413 HydrophobicContact CD1-CB 4.37Å; Y405-F413 HydrophobicContact CD1-CD1 4.26Å; Y405-F413 HydrophobicContact CD1-CD2 4.44Å; Y405-F413 HydrophobicContact CD1-CG 4.09Å; Y405-F413 HydrophobicContact CE1-CD2 4.47Å; Y405-F413 HydrophobicContact CE1-CG 4.49Å
406	K	90.8	Very high	85.1	Confident	76 Å²	76	71 Å²	71	33%	0.33	35%	0.347	S	S	.	.	H	α-helix	trans	-58.9	-34.1	175.2	-170	-175	-178.6	62	0	112.9	R402 D410 P411 S412 F413 V415	R402-K406 PolarHBondContact O-N 2.93Å; K406-D410 WeakPolarHBondContact CA-O 3.32Å; K406-D410 CarbonylContact O-C 3.51Å; K406-P411 WeakPolarHBondContact CE-O 3.31Å; K406-P411 PolarHBondContact NZ-O 3.47Å; K406-P411 WeakPolarHBondContact O-CA 3.25Å; K406-S412 PolarHBondContact NZ-O 3Å; K406-F413 HydrophobicContact CB-CB 4.49Å; K406-F413 HydrophobicContact CB-CD1 4.47Å; K406-F413 WeakPolarHBondContact CD-O 3.46Å; K406-F413 WeakPolarHBondContact CE-O 3.43Å; K406-F413 WeakPolarHBondContact CG-O 3.17Å; K406-F413 PolarHBondContact NZ-O 3.41Å; K406-V415 HydrophobicContact CB-CG2 3.95Å; K406-V415 HydrophobicContact CD-CG2 4.15Å
407	K	89	Confident	83.8	Confident	184 Å²	184	74.7 Å²	74.7	80%	0.8	37%	0.371	S	S	*	.	H	α-helix	trans	-82.3	-36.9	-178.7	-78.8	-174.4	171.6	-166.3	0	114.5	Q403 Q404 Y405	Q403-K407 WeakPolarHBondContact O-CB 3.27Å; Q403-K407 WeakPolarHBondContact O-CG 3.35Å; Q403-K407 PolarHBondContact O-N 3.37Å; Q403-K407 VanDerWaalsContact O-N 3.15Å; Q404-K407 PolarHBondContact O-N 3.46Å; Y405-K407 PolarHBondContact O-N 2.91Å
408	K	87.3	Confident	82.6	Confident	110 Å²	110	74 Å²	74	48%	0.478	37%	0.373	S	S	.	.	H	α-helix	trans	-103.2	-21.3	-172	-75.6	-179	166.7	179	0	113.9	K380 L381 D383 Q404 Y405	K380-K408 PolarHBondContact O-NZ 2.89Å; L381-K408 HydrophobicContact CB-CD 4.4Å; L381-K408 HydrophobicContact CD2-CB 3.92Å; L381-K408 HydrophobicContact CD2-CD 3.95Å; L381-K408 WeakPolarHBondContact O-CE 3.38Å; L381-K408 PolarHBondContact O-NZ 2.96Å; D383-K408 IonicContact OD2-NZ 3.45Å; D383-K408 PolarHBondContact OD2-NZ 3.25Å; Q404-K408 WeakPolarHBondContact O-CB 3.29Å; Q404-K408 PolarHBondContact O-N 3.17Å; Y405-K408 PolarHBondContact O-N 3.46Å
409	V	85.5	Confident	81	Confident	43 Å²	43	77.1 Å²	77.1	26%	0.261	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122	-64.4	-169.6	-174.9	0	0	0	0	112.2	Y363 L381 Y405	Y363-V409 HydrophobicContact CD2-CG2 4.21Å; Y363-V409 HydrophobicContact CE1-CG2 4.16Å; Y363-V409 HydrophobicContact CE2-CB 4.36Å; Y363-V409 HydrophobicContact CE2-CG1 3.87Å; Y363-V409 HydrophobicContact CE2-CG2 3.55Å; Y363-V409 WeakPolarHBondContact OH-CG1 3.43Å; L381-V409 HydrophobicContact CD1-CG2 3.84Å; L381-V409 HydrophobicContact CD2-CG2 3.59Å; L381-V409 HydrophobicContact CG-CG2 4.39Å; Y405-V409 HydrophobicContact CD1-CB 4.25Å; Y405-V409 HydrophobicContact CD2-CB 4.07Å; Y405-V409 HydrophobicContact CD2-CG1 4.4Å; Y405-V409 HydrophobicContact CD2-CG2 3.9Å; Y405-V409 HydrophobicContact CE1-CB 4.19Å; Y405-V409 HydrophobicContact CE1-CG1 4.05Å; Y405-V409 HydrophobicContact CE2-CB 3.99Å; Y405-V409 HydrophobicContact CE2-CG1 3.8Å; Y405-V409 HydrophobicContact CE2-CG2 4.01Å; Y405-V409 HydrophobicContact CG-CB 4.2Å; Y405-V409 HydrophobicContact CG-CG2 4.34Å; Y405-V409 WeakPolarHBondContact O-CA 3.49Å; Y405-V409 WeakPolarHBondContact O-CB 3.29Å; Y405-V409 PolarHBondContact O-N 3.26Å
410	D	84	Confident	79.5	Confident	55 Å²	55	73.3 Å²	73.3	29%	0.294	39%	0.386	S	S	.	.			trans	-130.2	99.4	-175.6	174.7	14.2	0	0	0	111.2	Y405 K406 S412 F413	Y405-D410 HydrophobicContact CE1-CB 4.11Å; Y405-D410 PolarHBondContact O-N 2.82Å; Y405-D410 VanDerWaalsContact O-N 3.16Å; K406-D410 WeakPolarHBondContact CA-O 3.32Å; K406-D410 CarbonylContact O-C 3.51Å; D410-S412 VanDerWaalsContact CG-OG 3.24Å; D410-S412 PolarHBondContact O-N 3Å; D410-S412 VanDerWaalsContact O-N 3.14Å; D410-S412 WeakPolarHBondContact OD1-CA 3.46Å; D410-S412 VanDerWaalsContact OD1-CB 3.23Å; D410-S412 WeakPolarHBondContact OD1-CB 3.48Å; D410-S412 PolarHBondContact OD1-N 3.15Å; D410-S412 PolarHBondContact OD1-OG 2.9Å; D410-S412 PolarHBondContact OD2-OG 3.39Å; D410-F413 HydrophobicContact CB-CB 4.16Å; D410-F413 VanDerWaalsContact O-CB 3.29Å; D410-F413 WeakPolarHBondContact O-CB 3.31Å; D410-F413 PolarHBondContact O-N 2.91Å; D410-F413 VanDerWaalsContact O-N 3.14Å; D410-F413 PolarHBondContact OD1-N 2.99Å; D410-F413 PolarHBondContact OD2-N 3Å
411	P	85.8	Confident	78.2	Confident	102 Å²	102	69.9 Å²	69.9	66%	0.662	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-20.6	175.2	-26.6	36.5	0	0	0	114.8	K406	K406-P411 WeakPolarHBondContact CE-O 3.31Å; K406-P411 PolarHBondContact NZ-O 3.47Å; K406-P411 WeakPolarHBondContact O-CA 3.25Å
412	S	82.7	Confident	76.7	Confident	87 Å²	87	74.4 Å²	74.4	61%	0.608	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-33.5	176.8	83.1	0	0	0	0	112.2	K406 D410 I414	K406-S412 PolarHBondContact NZ-O 3Å; D410-S412 VanDerWaalsContact CG-OG 3.24Å; D410-S412 PolarHBondContact O-N 3Å; D410-S412 VanDerWaalsContact O-N 3.14Å; D410-S412 WeakPolarHBondContact OD1-CA 3.46Å; D410-S412 VanDerWaalsContact OD1-CB 3.23Å; D410-S412 WeakPolarHBondContact OD1-CB 3.48Å; D410-S412 PolarHBondContact OD1-N 3.15Å; D410-S412 PolarHBondContact OD1-OG 2.9Å; D410-S412 PolarHBondContact OD2-OG 3.39Å; S412-I414 PolarHBondContact O-N 3.26Å
413	F	83.4	Confident	75.3	Confident	43 Å²	43	79.4 Å²	79.4	19%	0.189	43%	0.427	C	S	.	.			trans	-46.1	123.6	-174.3	-173.8	-101.7	0	0	0	114.2	V359 R402 Y405 K406 D410 V415	V359-F413 HydrophobicContact CB-CZ 4.41Å; V359-F413 HydrophobicContact CG1-CE2 4.16Å; V359-F413 HydrophobicContact CG1-CZ 4.3Å; V359-F413 HydrophobicContact CG2-CE2 4.03Å; V359-F413 HydrophobicContact CG2-CZ 3.9Å; R402-F413 HydrophobicContact CB-CE1 4.19Å; R402-F413 HydrophobicContact CG-CE1 4.41Å; Y405-F413 HydrophobicContact CD1-CB 4.37Å; Y405-F413 HydrophobicContact CD1-CD1 4.26Å; Y405-F413 HydrophobicContact CD1-CD2 4.44Å; Y405-F413 HydrophobicContact CD1-CG 4.09Å; Y405-F413 HydrophobicContact CE1-CD2 4.47Å; Y405-F413 HydrophobicContact CE1-CG 4.49Å; K406-F413 HydrophobicContact CB-CB 4.49Å; K406-F413 HydrophobicContact CB-CD1 4.47Å; K406-F413 WeakPolarHBondContact CD-O 3.46Å; K406-F413 WeakPolarHBondContact CE-O 3.43Å; K406-F413 WeakPolarHBondContact CG-O 3.17Å; K406-F413 PolarHBondContact NZ-O 3.41Å; D410-F413 HydrophobicContact CB-CB 4.16Å; D410-F413 VanDerWaalsContact O-CB 3.29Å; D410-F413 WeakPolarHBondContact O-CB 3.31Å; D410-F413 PolarHBondContact O-N 2.91Å; D410-F413 VanDerWaalsContact O-N 3.14Å; D410-F413 PolarHBondContact OD1-N 2.99Å; D410-F413 PolarHBondContact OD2-N 3Å; F413-V415 HydrophobicContact CD1-CG2 3.79Å; F413-V415 HydrophobicContact CE1-CG2 3.96Å
414	I	77.5	Confident	74.3	Confident	139 Å²	139	83.9 Å²	83.9	71%	0.713	44%	0.441	S	S	*	.			trans	-86.6	122.4	-177.6	-59.8	176.5	0	0	0	109.5	S412	S412-I414 PolarHBondContact O-N 3.26Å
415	V	77.1	Confident	73.5	Confident	30 Å²	30	91.3 Å²	91.3	18%	0.182	47%	0.467	C	S	.	.			trans	-104.6	119.6	177.7	-175.7	0	0	0	0	109.8	R399 R402 Q403 K406 F413	R399-V415 HydrophobicContact CG-CG1 4.35Å; R402-V415 HydrophobicContact CB-CG1 3.76Å; R402-V415 HydrophobicContact CB-CG2 4.07Å; R402-V415 VanDerWaalsContact O-CG2 3.27Å; R402-V415 WeakPolarHBondContact O-CG2 3.47Å; Q403-V415 HydrophobicContact CG-CG1 4.08Å; K406-V415 HydrophobicContact CB-CG2 3.95Å; K406-V415 HydrophobicContact CD-CG2 4.15Å; F413-V415 HydrophobicContact CD1-CG2 3.79Å; F413-V415 HydrophobicContact CE1-CG2 3.96Å
416	D	65.5	Low	72.8	Confident	77 Å²	77	96.7 Å²	96.7	41%	0.412	49%	0.491	S	S	.	.			trans	-56.7	137.4	-171.4	-65.4	-68	0	0	0	114.7	N418	D416-N418 PolarHBondContact O-N 3.25Å
417	P	61.4	Low	72.1	Confident	83 Å²	83	97.4 Å²	97.4	54%	0.539	50%	0.502	S	S	.	.			trans	-74	109.4	176.1	29.5	-32.9	0	0	0	110.5
418	N	61.5	Low	71.5	Confident	63 Å²	63	92.5 Å²	92.5	34%	0.337	48%	0.483	S	S	.	.			trans	-32.8	115	-178.1	177.6	2.2	0	0	0	113.4	D416 G420 N421	D416-N418 PolarHBondContact O-N 3.25Å; N418-G420 PolarHBondContact O-N 3.38Å; N418-G420 PolarHBondContact OD1-N 3.39Å; N418-N421 WeakPolarHBondContact O-CB 3.49Å; N418-N421 PolarHBondContact O-N 2.91Å
419	P	51.5	Low	71.1	Confident	92 Å²	92	89.2 Å²	89.2	60%	0.597	48%	0.477	S	S	*	.	H	α-helix	trans	-60.9	-29.3	-176.5	23.5	-33.5	0	0	0	113.1	N421 Q422 L423	P419-N421 PolarHBondContact O-N 2.6Å; P419-Q422 WeakPolarHBondContact O-CB 3.38Å; P419-Q422 PolarHBondContact O-N 2.96Å; P419-L423 PolarHBondContact O-N 2.78Å
420	G	52.5	Low	70.7	Confident	38 Å²	38	89.7 Å²	89.7	39%	0.392	49%	0.485	S	S	.	.	H	α-helix	trans	-59.7	-33.1	174.2	0	0	0	0	0	113.3	N418 R424	N418-G420 PolarHBondContact O-N 3.38Å; N418-G420 PolarHBondContact OD1-N 3.39Å; G420-R424 WeakPolarHBondContact O-CB 3.46Å; G420-R424 PolarHBondContact O-N 3.39Å
421	N	59.6	Low	70.3	Confident	82 Å²	82	94.7 Å²	94.7	44%	0.439	50%	0.504	S	S	.	.	H	α-helix	trans	-74.1	-29.2	174	-82.4	-7.3	0	0	0	112.5	N418 P419 R425	N418-N421 WeakPolarHBondContact O-CB 3.49Å; N418-N421 PolarHBondContact O-N 2.91Å; P419-N421 PolarHBondContact O-N 2.6Å; N421-R425 WeakPolarHBondContact O-CB 3.35Å; N421-R425 WeakPolarHBondContact O-CG 3.2Å; N421-R425 PolarHBondContact O-N 3.34Å
422	Q	59.3	Low	69.9	Low	95 Å²	95	95.2 Å²	95.2	44%	0.444	50%	0.498	S	S	.	.	H	α-helix	trans	-70	-44.4	173.9	-59.2	-163.6	36.8	0	0	111.2	P419 R425 K426	P419-Q422 WeakPolarHBondContact O-CB 3.38Å; P419-Q422 PolarHBondContact O-N 2.96Å; Q422-R425 PolarHBondContact O-N 2.97Å; Q422-K426 WeakPolarHBondContact O-CG 3.36Å; Q422-K426 PolarHBondContact O-N 3.24Å
423	L	60.3	Low	69.7	Low	117 Å²	117	99.1 Å²	99.1	61%	0.613	50%	0.504	S	S	*	.	H	α-helix	trans	-60.7	-47.4	173	-82.3	162.8	0	0	0	111.3	P419 R425 K426 V427	P419-L423 PolarHBondContact O-N 2.78Å; L423-R425 PolarHBondContact O-N 3.14Å; L423-K426 PolarHBondContact O-N 2.77Å; L423-V427 WeakPolarHBondContact O-CG2 3.4Å; L423-V427 PolarHBondContact O-N 2.87Å
424	R	67	Low	69.3	Low	176 Å²	176	104.8 Å²	104.8	66%	0.664	53%	0.528	S	S	*	.	H	α-helix	trans	-58.5	-42.9	176.4	-170.9	173.8	177.4	-179.3	-0.6	112.4	G420 V427 I428	G420-R424 WeakPolarHBondContact O-CB 3.46Å; G420-R424 PolarHBondContact O-N 3.39Å; R424-V427 PolarHBondContact O-N 3.48Å; R424-I428 HydrophobicContact CG-CD1 3.99Å; R424-I428 VanDerWaalsContact O-CG1 3.27Å; R424-I428 WeakPolarHBondContact O-CG1 3.27Å; R424-I428 PolarHBondContact O-N 3.26Å
425	R	71.9	Confident	69	Low	193 Å²	193	101.1 Å²	101.1	73%	0.728	52%	0.519	S	S	*	.	H	α-helix	trans	-62.3	-46	173.3	-77.7	178.2	-179.7	178.1	-0.2	112.4	N421 Q422 L423 V427 I428 A429	N421-R425 WeakPolarHBondContact O-CB 3.35Å; N421-R425 WeakPolarHBondContact O-CG 3.2Å; N421-R425 PolarHBondContact O-N 3.34Å; Q422-R425 PolarHBondContact O-N 2.97Å; L423-R425 PolarHBondContact O-N 3.14Å; R425-V427 VanDerWaalsContact C-N 3.33Å; R425-V427 PolarHBondContact O-N 2.97Å; R425-I428 PolarHBondContact O-N 3.39Å; R425-A429 WeakPolarHBondContact O-CB 3.5Å; R425-A429 PolarHBondContact O-N 3.35Å
426	K	74.5	Confident	68.8	Low	146 Å²	146	107.7 Å²	107.7	64%	0.635	55%	0.545	S	S	*	.	H	α-helix	trans	-60.8	-40.5	177.4	-74.8	177.8	178.9	179.4	0	111.9	Q422 L423 A430	Q422-K426 WeakPolarHBondContact O-CG 3.36Å; Q422-K426 PolarHBondContact O-N 3.24Å; L423-K426 PolarHBondContact O-N 2.77Å; K426-A430 VanDerWaalsContact O-CB 3.29Å; K426-A430 WeakPolarHBondContact O-CB 3.37Å; K426-A430 PolarHBondContact O-N 3.07Å
427	V	76.2	Confident	68.8	Low	91 Å²	91	114.3 Å²	114.3	55%	0.552	56%	0.564	S	S	*	*	H	α-helix	trans	-68.5	-40.3	176.7	171.8	0	0	0	0	112.3	L423 R424 R425 A430 K431	L423-V427 WeakPolarHBondContact O-CG2 3.4Å; L423-V427 PolarHBondContact O-N 2.87Å; R424-V427 PolarHBondContact O-N 3.48Å; R425-V427 VanDerWaalsContact C-N 3.33Å; R425-V427 PolarHBondContact O-N 2.97Å; V427-A430 PolarHBondContact O-N 3.47Å; V427-K431 PolarHBondContact O-N 3.27Å
428	I	77.7	Confident	68.6	Low	80 Å²	80	117.1 Å²	117.1	41%	0.41	58%	0.575	S	S	.	*	H	α-helix	trans	-63.8	-50.5	175.2	-70.2	165.6	0	0	0	110.4	R424 R425 A430 K431 E432	R424-I428 HydrophobicContact CG-CD1 3.99Å; R424-I428 VanDerWaalsContact O-CG1 3.27Å; R424-I428 WeakPolarHBondContact O-CG1 3.27Å; R424-I428 PolarHBondContact O-N 3.26Å; R425-I428 PolarHBondContact O-N 3.39Å; I428-A430 PolarHBondContact O-N 2.87Å; I428-K431 WeakPolarHBondContact O-CA 3.4Å; I428-K431 WeakPolarHBondContact O-CB 3.46Å; I428-K431 PolarHBondContact O-N 3.03Å; I428-E432 WeakPolarHBondContact CG2-OE1 3.42Å; I428-E432 PolarHBondContact O-N 3.45Å
429	A	78	Confident	68	Low	41 Å²	41	121 Å²	121	34%	0.339	59%	0.591	S	S	.	*	H	α-helix	trans	-61	-32	177.1	0	0	0	0	0	112.8	R425 K433	R425-A429 WeakPolarHBondContact O-CB 3.5Å; R425-A429 PolarHBondContact O-N 3.35Å; A429-K433 WeakPolarHBondContact O-CB 3.43Å; A429-K433 WeakPolarHBondContact O-CG 3.37Å; A429-K433 PolarHBondContact O-N 3.47Å
430	A	77	Confident	67.7	Low	53 Å²	53	122.4 Å²	122.4	44%	0.438	60%	0.6	S	S	.	*	H	α-helix	trans	-70.8	-35.8	172.7	0	0	0	0	0	112.8	K426 V427 I428 K434	K426-A430 VanDerWaalsContact O-CB 3.29Å; K426-A430 WeakPolarHBondContact O-CB 3.37Å; K426-A430 PolarHBondContact O-N 3.07Å; V427-A430 PolarHBondContact O-N 3.47Å; I428-A430 PolarHBondContact O-N 2.87Å; A430-K434 PolarHBondContact O-N 3.26Å; A430-K434 VanDerWaalsContact O-N 3.14Å
431	K	76.6	Confident	67.4	Low	161 Å²	161	129.9 Å²	129.9	70%	0.7	62%	0.622	S	S	*	*	H	α-helix	trans	-64.7	-46.7	170.5	-93.5	-168.8	170.1	-170.9	0	111.5	V427 I428 K433 K434 A435	V427-K431 PolarHBondContact O-N 3.27Å; I428-K431 WeakPolarHBondContact O-CA 3.4Å; I428-K431 WeakPolarHBondContact O-CB 3.46Å; I428-K431 PolarHBondContact O-N 3.03Å; K431-K433 PolarHBondContact O-N 3.21Å; K431-K434 PolarHBondContact O-N 3.36Å; K431-K434 VanDerWaalsContact O-N 3.11Å; K431-A435 PolarHBondContact O-N 2.88Å
432	E	77.5	Confident	66.8	Low	112 Å²	112	135.1 Å²	135.1	52%	0.523	64%	0.644	S	S	.	*	H	α-helix	trans	-60.7	-43.4	177.8	-70.5	169.2	-173.2	0	0	112.2	I428 K434 A435 K436	I428-E432 WeakPolarHBondContact CG2-OE1 3.42Å; I428-E432 PolarHBondContact O-N 3.45Å; E432-K434 VanDerWaalsContact C-N 3.29Å; E432-K434 PolarHBondContact O-N 3.03Å; E432-A435 PolarHBondContact O-N 3.15Å; E432-K436 PolarHBondContact O-N 2.94Å
433	K	78.7	Confident	65.7	Low	170 Å²	170	138.5 Å²	138.5	74%	0.739	67%	0.665	S	S	*	*	H	α-helix	trans	-64.7	-28.7	174.2	-76.4	-175.6	177.3	-172.3	0	113.4	A429 K431	A429-K433 WeakPolarHBondContact O-CB 3.43Å; A429-K433 WeakPolarHBondContact O-CG 3.37Å; A429-K433 PolarHBondContact O-N 3.47Å; K431-K433 PolarHBondContact O-N 3.21Å
434	K	74.2	Confident	64.7	Low	161 Å²	161	139.9 Å²	139.9	70%	0.7	68%	0.678	S	S	*	*	H	α-helix	trans	-76.1	-40.9	171	-78.8	-170.3	174.3	-172.4	0	112.2	A430 K431 E432 K436 R437 N438	A430-K434 PolarHBondContact O-N 3.26Å; A430-K434 VanDerWaalsContact O-N 3.14Å; K431-K434 PolarHBondContact O-N 3.36Å; K431-K434 VanDerWaalsContact O-N 3.11Å; E432-K434 VanDerWaalsContact C-N 3.29Å; E432-K434 PolarHBondContact O-N 3.03Å; K434-K436 PolarHBondContact O-N 2.91Å; K434-R437 PolarHBondContact O-N 2.88Å; K434-R437 VanDerWaalsContact O-N 3.11Å; K434-N438 PolarHBondContact O-N 3.32Å
435	A	70.9	Confident	63.3	Low	63 Å²	63	136.9 Å²	136.9	52%	0.521	69%	0.685	S	S	.	*	H	α-helix	trans	-58.1	-49.9	176	0	0	0	0	0	111.3	K431 E432 R437 N438	K431-A435 PolarHBondContact O-N 2.88Å; E432-A435 PolarHBondContact O-N 3.15Å; A435-R437 PolarHBondContact O-N 3Å; A435-R437 VanDerWaalsContact O-N 3.08Å; A435-N438 PolarHBondContact O-N 3.06Å
436	K	73.6	Confident	61.7	Low	167 Å²	167	133.5 Å²	133.5	73%	0.726	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-5.4	176.8	-67.4	-173.9	176.4	-173.6	0	115.2	E432 K434	E432-K436 PolarHBondContact O-N 2.94Å; K434-K436 PolarHBondContact O-N 2.91Å
437	R	65.6	Low	59.9	Low	217 Å²	217	136.4 Å²	136.4	82%	0.819	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-16.6	171.1	-175.2	169.9	176.9	173.7	-0	112.6	K434 A435	K434-R437 PolarHBondContact O-N 2.88Å; K434-R437 VanDerWaalsContact O-N 3.11Å; A435-R437 PolarHBondContact O-N 3Å; A435-R437 VanDerWaalsContact O-N 3.08Å
438	N	57.6	Low	58	Low	142 Å²	142	138 Å²	138	76%	0.759	72%	0.715	S	S	*	*	S	Bend	trans	-104.2	4.8	-176.6	-74.6	21.9	0	0	0	113.5	K434 A435	K434-N438 PolarHBondContact O-N 3.32Å; A435-N438 PolarHBondContact O-N 3.06Å
439	E	47.8	Very low	55.9	Low	143 Å²	143	139.4 Å²	139.4	67%	0.668	73%	0.732	S	S	*	*	S	Bend	trans	-71.6	133.9	166	-72.8	-169.8	119.6	0	0	110.6	K441	E439-K441 PolarHBondContact O-N 3.24Å
440	P	45.1	Very low	53.7	Low	123 Å²	123	146.3 Å²	146.3	80%	0.799	76%	0.755	S	S	*	*			trans	-73.8	100	179.8	29.9	-33.8	0	0	0	110.5	Q442	P440-Q442 PolarHBondContact O-N 2.96Å
441	K	46.8	Very low	51.5	Low	195 Å²	195	147.8 Å²	147.8	85%	0.848	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-65.2	124.3	169.9	-71.4	-169.8	173.4	-170.2	0	110	E439	E439-K441 PolarHBondContact O-N 3.24Å
442	Q	46.4	Very low	49.7	Very low	191 Å²	191	146.2 Å²	146.2	89%	0.893	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-66.9	150.8	178.3	-67.7	173.4	-26.1	0	0	111.5	P440	P440-Q442 PolarHBondContact O-N 2.96Å
443	N	36.2	Very low	47.8	Very low	166 Å²	166	148.4 Å²	148.4	89%	0.888	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-69.8	136.1	-173.5	-72.2	-33	0	0	0	113.3
444	T	39.2	Very low	45.6	Very low	146 Å²	146	150.7 Å²	150.7	90%	0.896	79%	0.785	S	S	*	*			trans	-134.4	142.3	149.2	51.8	0	0	0	0	108.8
445	S	37.7	Very low	43.7	Very low	114 Å²	114	149.9 Å²	149.9	80%	0.797	79%	0.788	S	S	*	*			trans	-98.3	144.5	-160	47	0	0	0	0	115.1
446	S	39.1	Very low	42.1	Very low	121 Å²	121	152.5 Å²	152.5	85%	0.846	80%	0.803	S	S	*	*			trans	-172.9	134.1	140.1	-82.6	0	0	0	0	111.6
447	F	35.5	Very low	40.2	Very low	208 Å²	208	152.3 Å²	152.3	91%	0.912	81%	0.81	S	S	*	*			trans	-113.6	147.7	166.3	-80.3	-83.4	0	0	0	108.9
448	P	36.1	Very low	38.9	Very low	123 Å²	123	150.3 Å²	150.3	80%	0.799	81%	0.812	S	S	*	*				-149.1	-177.8	107.5	36.4	-19.5	0	0	0	113.3
449	S	35.1	Very low	37.9	Very low	110 Å²	110	149.5 Å²	149.5	77%	0.769	81%	0.812	S	S	*	*			cis	-170.2	163.2	-41.9	-168.3	0	0	0	0	109.8
450	F	32	Very low	37.3	Very low	187 Å²	187	146.4 Å²	146.4	82%	0.82	82%	0.819	S	S	*	*			trans	63.9	94.6	151.8	-143.9	-114.2	0	0	0	122.7
451	S	30.2	Very low	36.8	Very low	84 Å²	84	148 Å²	148	59%	0.587	82%	0.82	S	S	*	*			trans	25	146.9	134.8	64.4	0	0	0	0	124.6
452	T	39	Very low	36.1	Very low	127 Å²	127	145 Å²	145	78%	0.779	82%	0.822	S	S	*	*			trans	-149.7	140.2	149.4	-70.4	0	0	0	0	110.9
453	L	37.7	Very low	35.7	Very low	158 Å²	158	143.1 Å²	143.1	83%	0.827	82%	0.815	S	S	*	*			trans	15.7	132.2	162	-55.7	168.5	0	0	0	119.7
454	R	31.4	Very low	35.8	Very low	218 Å²	218	143.5 Å²	143.5	82%	0.823	82%	0.815	S	S	*	*			cis	78.7	124.3	18.7	-139.6	-168	-149	-145.9	5.7	117.7
455	N	35.1	Very low	35.5	Very low	144 Å²	144	139.8 Å²	139.8	77%	0.77	81%	0.807	S	S	*	*			trans	72.7	114.1	164	-71.2	0.8	0	0	0	121.1
456	S	37	Very low	35.5	Very low	119 Å²	119	142.2 Å²	142.2	83%	0.832	81%	0.809	S	S	*	*				-166.9	121.3	120	59.2	0	0	0	0	112
457	N	33	Very low	35.3	Very low	163 Å²	163	141.5 Å²	141.5	87%	0.872	80%	0.801	S	S	*	*			trans	-108	138	169	-85.7	-12.4	0	0	0	109.7
458	M	38.7	Very low	35.2	Very low	175 Å²	175	141.4 Å²	141.4	86%	0.862	80%	0.796	S	S	*	*			trans	-165.1	100.4	152.6	-88.3	-119.6	130.6	0	0	108
459	T	37	Very low	35.2	Very low	125 Å²	125	143 Å²	143	77%	0.767	80%	0.798	S	S	*	*				65.8	109.1	89.7	57.4	0	0	0	0	115.3
460	G	35.9	Very low	35.2	Very low	78 Å²	78	148 Å²	148	80%	0.804	80%	0.8	S	S	*	*			trans	-166.7	100.1	169.7	0	0	0	0	0	110.2
461	N	34.4	Very low	35.1	Very low	157 Å²	157	146.5 Å²	146.5	84%	0.84	80%	0.799	S	S	*	*			trans	-75.7	142.4	-173.6	-85.5	-4.1	0	0	0	113.1
462	C	31.8	Very low	35.2	Very low	131 Å²	131	148.2 Å²	148.2	89%	0.885	81%	0.811	S	S	*	*				-139.4	148.5	129.4	-157.5	0	0	0	0	109
463	M	37.8	Very low	35	Very low	152 Å²	152	145.8 Å²	145.8	75%	0.749	80%	0.804	S	S	*	*			trans	-127.7	175.8	-166.4	-86.7	-97.1	-76.4	0	0	111.1
464	I	37	Very low	34.6	Very low	173 Å²	173	147.5 Å²	147.5	89%	0.887	81%	0.807	S	S	*	*			trans	80.1	120.5	170.5	-46.2	168.1	0	0	0	113.3
465	G	34.5	Very low	34.7	Very low	69 Å²	69	142.9 Å²	142.9	71%	0.711	80%	0.803	S	S	*	*			cis	-170.6	162.6	-3.5	0	0	0	0	0	114.5
466	I	38.1	Very low	34.2	Very low	165 Å²	165	141.2 Å²	141.2	85%	0.846	80%	0.8	S	S	*	*			trans	-116.7	138.7	173.1	-54.8	171.3	0	0	0	107.3
467	P	33	Very low	34	Very low	105 Å²	105	147.5 Å²	147.5	68%	0.682	81%	0.806	S	S	*	*			trans	-120.5	138.3	144.4	4.1	17.4	0	0	0	111.8
468	Y	35.1	Very low	33.8	Very low	207 Å²	207	146.4 Å²	146.4	81%	0.812	80%	0.799	S	S	*	*			trans	19.7	138.8	142.5	-47.2	-75.7	0	0	0	119.5
469	D	36	Very low	33.3	Very low	156 Å²	156	147.9 Å²	147.9	83%	0.834	80%	0.796	S	S	*	*			cis	-141.1	170.7	38.8	-120.1	-44.6	0	0	0	117.6
470	R	34.5	Very low	33.1	Very low	216 Å²	216	148.6 Å²	148.6	82%	0.815	80%	0.8	S	S	*	*			trans	-133.2	158.7	-172.2	-151.3	-173.5	-153.9	-177.7	8.1	109.9
471	I	30.2	Very low	32.7	Very low	155 Å²	155	149.7 Å²	149.7	80%	0.795	79%	0.793	S	S	*	*			trans	76.6	99.1	168.6	-47.6	160.9	0	0	0	115.5
472	S	32.4	Very low	32.9	Very low	119 Å²	119	145.9 Å²	145.9	83%	0.832	77%	0.77	S	S	*	*			trans	-160.6	149.4	132.6	-86.9	0	0	0	0	110.9
473	A	34.3	Very low	33	Very low	77 Å²	77	146.5 Å²	146.5	64%	0.636	77%	0.77	S	S	*	*			trans	5	118.5	171.1	0	0	0	0	0	117.7
474	Q	28.6	Very low	33.2	Very low	193 Å²	193	141.2 Å²	141.2	90%	0.902	75%	0.747	S	S	*	*				35.1	68.8	65.2	-68.2	-174	-17	0	0	113.2	P476	Q474-P476 WeakPolarHBondContact O-CD 3.43Å
475	V	33.6	Very low	33.9	Very low	122 Å²	122	137.2 Å²	137.2	74%	0.739	73%	0.727	S	S	*	*			trans	-90.9	112.9	164	179.5	0	0	0	0	108.6
476	P	25.5	Very low	35.2	Very low	108 Å²	108	140.7 Å²	140.7	70%	0.701	72%	0.723	S	S	*	*			trans	-68.8	166.7	174.6	-19.1	34.1	0	0	0	112.4	Q474 I478	Q474-P476 WeakPolarHBondContact O-CD 3.43Å; P476-I478 PolarHBondContact O-N 2.89Å
477	R	31.6	Very low	36.7	Very low	252 Å²	252	136.3 Å²	136.3	95%	0.951	71%	0.706	S	S	*	*			trans	-46.8	122.5	175.8	-73.7	171.4	164.6	164.9	-6.6	112.8
478	I	30.5	Very low	39	Very low	140 Å²	140	132.6 Å²	132.6	72%	0.718	68%	0.681	S	S	*	*			trans	-128.1	109.5	163.6	-63.9	-176.4	0	0	0	108.2	P476	P476-I478 PolarHBondContact O-N 2.89Å
479	Y	28.4	Very low	41.3	Very low	206 Å²	206	123.8 Å²	123.8	81%	0.808	65%	0.647	S	S	*	*			trans	40.2	90.5	165.3	-66.8	-93.7	0	0	0	120.2
480	T	31.5	Very low	43.6	Very low	139 Å²	139	117 Å²	117	85%	0.853	61%	0.612	S	S	*	*			trans	-132.3	85	139.1	35.3	0	0	0	0	110
481	P	28.5	Very low	46.2	Very low	101 Å²	101	110.4 Å²	110.4	66%	0.656	59%	0.587	S	S	*	*			trans	-71.4	153.2	171	30.9	-33.5	0	0	0	110.9
482	Q	36.9	Very low	49.1	Very low	78 Å²	78	103.5 Å²	103.5	36%	0.364	55%	0.551	S	S	.	*			trans	71	51.5	167.6	-60.7	177.2	6.6	0	0	118.2	T484 A863	Q482-T484 WeakPolarHBondContact CA-OG1 3.29Å; Q482-T484 HydrophobicContact CB-CG2 4.48Å; Q482-T484 WeakPolarHBondContact CB-OG1 3.49Å; Q482-T484 HydrophobicContact CG-CG2 4.1Å; Q482-T484 WeakPolarHBondContact CG-OG1 3.13Å; Q482-T484 PolarHBondContact O-N 3.34Å; Q482-A863 VanDerWaalsContact NE2-CA 3.28Å; Q482-A863 VanDerWaalsContact NE2-CB 3.28Å; Q482-A863 PolarHBondContact NE2-O 3.29Å
483	T	35.6	Very low	51.9	Low	143 Å²	143	97.9 Å²	97.9	88%	0.877	51%	0.511	S	S	*	.			trans	-77.5	35	136.2	48.4	0	0	0	0	111.5	N485	T483-N485 PolarHBondContact O-N 3.25Å; T483-N485 VanDerWaalsContact O-N 3.08Å
484	T	41.2	Very low	54.5	Low	42 Å²	42	95.5 Å²	95.5	26%	0.258	49%	0.49	S	S	.	.			trans	-70.2	103.1	-174.5	33.5	0	0	0	0	111.5	Q482 K486 N865	Q482-T484 WeakPolarHBondContact CA-OG1 3.29Å; Q482-T484 HydrophobicContact CB-CG2 4.48Å; Q482-T484 WeakPolarHBondContact CB-OG1 3.49Å; Q482-T484 HydrophobicContact CG-CG2 4.1Å; Q482-T484 WeakPolarHBondContact CG-OG1 3.13Å; Q482-T484 PolarHBondContact O-N 3.34Å; T484-K486 VanDerWaalsContact C-N 3.32Å; T484-K486 PolarHBondContact O-N 2.87Å; T484-N865 WeakPolarHBondContact CB-OD1 3.38Å
485	N	52.9	Low	57.4	Low	89 Å²	89	88.6 Å²	88.6	48%	0.476	46%	0.463	S	S	.	.			trans	43.2	44.2	140.7	-143.5	-13.6	0	0	0	117.4	T483 S487 L488 E489	T483-N485 PolarHBondContact O-N 3.25Å; T483-N485 VanDerWaalsContact O-N 3.08Å; N485-S487 PolarHBondContact O-N 2.97Å; N485-L488 HydrophobicContact CB-CB 4.18Å; N485-L488 WeakPolarHBondContact O-CB 3.07Å; N485-L488 PolarHBondContact O-N 3.42Å; N485-L488 WeakPolarHBondContact OD1-CB 3.35Å; N485-E489 PolarHBondContact O-N 3.4Å
486	K	60.1	Low	60.3	Low	142 Å²	142	84 Å²	84	62%	0.617	43%	0.433	S	S	*	.	H	α-helix	trans	-49.5	-28.3	179.5	-65.4	-178.7	180	178.2	0	114.3	T484 S490	T484-K486 VanDerWaalsContact C-N 3.32Å; T484-K486 PolarHBondContact O-N 2.87Å; K486-S490 VanDerWaalsContact O-CB 3.27Å; K486-S490 WeakPolarHBondContact O-CB 3.23Å; K486-S490 PolarHBondContact O-N 2.81Å; K486-S490 VanDerWaalsContact O-N 3.07Å; K486-S490 PolarHBondContact O-OG 3.43Å
487	S	69.7	Low	63.5	Low	72 Å²	72	79.1 Å²	79.1	50%	0.503	40%	0.401	S	S	.	.	H	α-helix	trans	-65.4	-42.9	173.4	178.4	0	0	0	0	112.8	N485 S490 R491	N485-S487 PolarHBondContact O-N 2.97Å; S487-S490 PolarHBondContact O-N 2.74Å; S487-R491 WeakPolarHBondContact O-CG 3.44Å; S487-R491 PolarHBondContact O-N 3.46Å
488	L	82.1	Confident	66.3	Low	28 Å²	28	71.4 Å²	71.4	15%	0.147	38%	0.382	C	S	.	.	H	α-helix	trans	-68.8	-43.7	179.5	169.8	142	0	0	0	111.8	N485 S490 R491 Y492	N485-L488 HydrophobicContact CB-CB 4.18Å; N485-L488 WeakPolarHBondContact O-CB 3.07Å; N485-L488 PolarHBondContact O-N 3.42Å; N485-L488 WeakPolarHBondContact OD1-CB 3.35Å; L488-S490 VanDerWaalsContact C-N 3.34Å; L488-S490 PolarHBondContact O-N 2.91Å; L488-R491 PolarHBondContact O-N 2.91Å; L488-Y492 HydrophobicContact CD1-CE2 4.38Å; L488-Y492 HydrophobicContact CD2-CD2 3.99Å; L488-Y492 HydrophobicContact CD2-CE2 3.65Å; L488-Y492 HydrophobicContact CG-CD2 4.16Å; L488-Y492 HydrophobicContact CG-CE2 3.75Å; L488-Y492 WeakPolarHBondContact O-CD2 3.42Å; L488-Y492 PolarHBondContact O-N 2.99Å
489	E	82.7	Confident	69.3	Low	22 Å²	22	67.7 Å²	67.7	10%	0.103	37%	0.369	C	S	.	.	H	α-helix	trans	-60.9	-43.9	172.5	-60.9	-175.7	146.3	0	0	111.5	N485 R491 Y492 I493 C790 L867	N485-E489 PolarHBondContact O-N 3.4Å; E489-R491 VanDerWaalsContact C-N 3.33Å; E489-R491 PolarHBondContact O-N 2.94Å; E489-Y492 PolarHBondContact O-N 3.01Å; E489-I493 PolarHBondContact O-N 2.67Å; E489-C790 VanDerWaalsContact C-SG 3.54Å; E489-C790 HydrophobicContact CB-CB 4.07Å; E489-L867 HydrophobicContact CB-CD2 4.11Å; E489-L867 HydrophobicContact CG-CD2 4.42Å
490	S	85	Confident	72.4	Confident	14 Å²	14	58.3 Å²	58.3	10%	0.098	33%	0.332	C	S	.	.	H	α-helix	trans	-62.1	-37.4	176.6	-65.3	0	0	0	0	113	K486 S487 L488 S494 H788	K486-S490 VanDerWaalsContact O-CB 3.27Å; K486-S490 WeakPolarHBondContact O-CB 3.23Å; K486-S490 PolarHBondContact O-N 2.81Å; K486-S490 VanDerWaalsContact O-N 3.07Å; K486-S490 PolarHBondContact O-OG 3.43Å; S487-S490 PolarHBondContact O-N 2.74Å; L488-S490 VanDerWaalsContact C-N 3.34Å; L488-S490 PolarHBondContact O-N 2.91Å; S490-S494 VanDerWaalsContact O-CB 3.28Å; S490-S494 WeakPolarHBondContact O-CB 3.5Å; S490-S494 PolarHBondContact O-N 2.93Å; S490-S494 PolarHBondContact O-OG 3.35Å; S490-H788 PolarHBondContact OG-CE1 2.96Å; S490-H788 PolarHBondContact OG-NE2 3.44Å
491	R	88.2	Confident	75.2	Confident	77 Å²	77	53.8 Å²	53.8	29%	0.291	30%	0.303	S	S	.	.	H	α-helix	trans	-63.9	-45	173.3	-77.4	-166.9	-63.3	145.1	3.8	111.2	S487 L488 E489 S494 S495 L876 N877	S487-R491 WeakPolarHBondContact O-CG 3.44Å; S487-R491 PolarHBondContact O-N 3.46Å; L488-R491 PolarHBondContact O-N 2.91Å; E489-R491 VanDerWaalsContact C-N 3.33Å; E489-R491 PolarHBondContact O-N 2.94Å; R491-S494 PolarHBondContact O-N 3.41Å; R491-S495 WeakPolarHBondContact O-CB 3.39Å; R491-S495 PolarHBondContact O-N 2.88Å; R491-L876 HydrophobicContact CB-CD1 3.92Å; R491-N877 PolarHBondContact NH1-O 2.87Å
492	Y	91.4	Very high	78.3	Confident	9 Å²	9	50.4 Å²	50.4	4%	0.035	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-52.1	175.1	-75.8	-58.5	0	0	0	112.2	L488 E489 S494 S495 K496 Y868 M873 P875 L876	L488-Y492 HydrophobicContact CD1-CE2 4.38Å; L488-Y492 HydrophobicContact CD2-CD2 3.99Å; L488-Y492 HydrophobicContact CD2-CE2 3.65Å; L488-Y492 HydrophobicContact CG-CD2 4.16Å; L488-Y492 HydrophobicContact CG-CE2 3.75Å; L488-Y492 WeakPolarHBondContact O-CD2 3.42Å; L488-Y492 PolarHBondContact O-N 2.99Å; E489-Y492 PolarHBondContact O-N 3.01Å; Y492-S494 VanDerWaalsContact C-N 3.29Å; Y492-S494 PolarHBondContact O-N 2.87Å; Y492-S495 PolarHBondContact O-N 3.49Å; Y492-K496 WeakPolarHBondContact O-CB 3.43Å; Y492-K496 PolarHBondContact O-N 3Å; Y492-Y868 HydrophobicContact CE1-CG 4.39Å; Y492-Y868 HydrophobicContact CE2-CD1 4.31Å; Y492-Y868 AromaticContact CZ-CD1 3.96Å; Y492-M873 HydrophobicContact CD1-CE 3.66Å; Y492-M873 HydrophobicContact CG-CE 4.19Å; Y492-M873 WeakPolarHBondContact O-CE 3.43Å; Y492-P875 VanDerWaalsContact OH-CA 3.3Å; Y492-P875 WeakPolarHBondContact OH-CA 3.47Å; Y492-L876 HydrophobicContact CD1-CB 4.35Å; Y492-L876 HydrophobicContact CD1-CD1 3.54Å; Y492-L876 HydrophobicContact CD1-CG 3.73Å; Y492-L876 HydrophobicContact CE1-CB 3.69Å; Y492-L876 HydrophobicContact CE1-CD1 3.77Å; Y492-L876 HydrophobicContact CE1-CG 3.47Å; Y492-L876 VanDerWaalsContact CE1-CG 3.47Å; Y492-L876 VanDerWaalsContact CE1-N 3.34Å; Y492-L876 HydrophobicContact CG-CD1 4.12Å; Y492-L876 PolarHBondContact OH-N 3.27Å
493	I	91	Very high	80.8	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-56.3	-43.7	178.4	-75.6	-152.4	0	0	0	111.5	E489 H497 L738 I739 I742 P789 C790 L793 L867 L871	E489-I493 PolarHBondContact O-N 2.67Å; I493-H497 WeakPolarHBondContact O-CB 3.42Å; I493-H497 PolarHBondContact O-N 3.38Å; I493-L738 HydrophobicContact CG2-CD2 3.66Å; I493-I739 HydrophobicContact CD1-CD1 3.95Å; I493-I742 HydrophobicContact CB-CD1 4.37Å; I493-I742 HydrophobicContact CG2-CD1 3.74Å; I493-P789 HydrophobicContact CG2-CB 4.34Å; I493-P789 HydrophobicContact CG2-CG 4.4Å; I493-C790 HydrophobicContact CD1-CB 3.97Å; I493-C790 WeakPolarHBondContact CD1-SG 3.38Å; I493-L793 HydrophobicContact CD1-CB 4.26Å; I493-L793 HydrophobicContact CD1-CD2 3.67Å; I493-L793 HydrophobicContact CG1-CD2 4.39Å; I493-L867 HydrophobicContact CG1-CD2 4.08Å; I493-L871 HydrophobicContact CG1-CD1 4.48Å
494	S	88.7	Confident	83.3	Confident	27 Å²	27	44.8 Å²	44.8	19%	0.189	26%	0.258	C	S	.	.	H	α-helix	trans	-73.3	-35.2	-179	-52.8	0	0	0	0	112.7	F126 S490 R491 Y492 T498	F126-S494 WeakPolarHBondContact CE1-OG 3.43Å; S490-S494 VanDerWaalsContact O-CB 3.28Å; S490-S494 WeakPolarHBondContact O-CB 3.5Å; S490-S494 PolarHBondContact O-N 2.93Å; S490-S494 PolarHBondContact O-OG 3.35Å; R491-S494 PolarHBondContact O-N 3.41Å; Y492-S494 VanDerWaalsContact C-N 3.29Å; Y492-S494 PolarHBondContact O-N 2.87Å; S494-T498 WeakPolarHBondContact O-CB 3.47Å; S494-T498 PolarHBondContact O-N 3.26Å; S494-T498 PolarHBondContact O-OG1 2.6Å
495	S	91.3	Very high	85.3	Confident	49 Å²	49	46.1 Å²	46.1	34%	0.343	26%	0.258	S	S	.	.	H	α-helix	trans	-63.9	-50	173.9	-167.6	0	0	0	0	110.8	R491 Y492 T498 S499	R491-S495 WeakPolarHBondContact O-CB 3.39Å; R491-S495 PolarHBondContact O-N 2.88Å; Y492-S495 PolarHBondContact O-N 3.49Å; S495-T498 PolarHBondContact O-N 2.93Å; S495-S499 PolarHBondContact O-N 3.35Å
496	K	93.3	Very high	87.2	Confident	24 Å²	24	42.9 Å²	42.9	10%	0.104	24%	0.241	C	C	.	.	H	α-helix	trans	-58.1	-54.8	175	-174.5	66.2	177.5	-172.9	0	110.4	Y492 T498 S499 L500 I742 D745 L871 M873	Y492-K496 WeakPolarHBondContact O-CB 3.43Å; Y492-K496 PolarHBondContact O-N 3Å; K496-T498 VanDerWaalsContact C-N 3.25Å; K496-T498 PolarHBondContact O-N 2.74Å; K496-S499 PolarHBondContact O-N 2.97Å; K496-S499 PolarHBondContact O-OG 3.45Å; K496-L500 HydrophobicContact CD-CD1 4.39Å; K496-L500 HydrophobicContact CD-CG 4.45Å; K496-L500 HydrophobicContact CG-CD1 4.07Å; K496-L500 HydrophobicContact CG-CG 4.46Å; K496-L500 VanDerWaalsContact O-CG 3.31Å; K496-L500 WeakPolarHBondContact O-CG 3.44Å; K496-L500 PolarHBondContact O-N 3.46Å; K496-L500 VanDerWaalsContact O-N 3.09Å; K496-I742 HydrophobicContact CG-CG1 4.37Å; K496-D745 WeakPolarHBondContact CE-OD2 3.19Å; K496-D745 IonicContact NZ-OD2 3.12Å; K496-D745 PolarHBondContact NZ-OD2 2.99Å; K496-L871 HydrophobicContact CB-CD1 4.19Å; K496-L871 HydrophobicContact CD-CB 4.29Å; K496-L871 WeakPolarHBondContact CD-O 3.36Å; K496-L871 WeakPolarHBondContact CE-O 3.41Å; K496-L871 HydrophobicContact CG-CB 4.3Å; K496-L871 HydrophobicContact CG-CD1 4.47Å; K496-L871 HydrophobicContact CG-CD2 4.44Å; K496-L871 PolarHBondContact NZ-O 3.42Å; K496-M873 HydrophobicContact CB-CE 3.85Å; K496-M873 HydrophobicContact CB-SD 3.74Å; K496-M873 HydrophobicContact CD-CG 4.17Å; K496-M873 HydrophobicContact CD-SD 4.18Å
497	H	92	Very high	88.6	Confident	6 Å²	6	38.4 Å²	38.4	3%	0.028	23%	0.225	C	C	.	.	H	α-helix	trans	-50.4	-44.7	177.6	177	-94.6	0	0	0	112.7	I493 L500 L501 L738 R741 I742	I493-H497 WeakPolarHBondContact O-CB 3.42Å; I493-H497 PolarHBondContact O-N 3.38Å; H497-L500 PolarHBondContact O-N 3.25Å; H497-L501 PolarHBondContact O-N 3.37Å; H497-L738 HydrophobicContact CB-CD1 4.25Å; H497-L738 HydrophobicContact CB-CG 4.34Å; H497-L738 VanDerWaalsContact CD2-CG 3.47Å; H497-L738 WeakPolarHBondContact CD2-CG 3.49Å; H497-R741 PolarHBondContact NE2-NH1 3.4Å; H497-I742 HydrophobicContact CB-CD1 4.24Å; H497-I742 HydrophobicContact CB-CG1 4.47Å
498	T	92.2	Very high	89.6	Confident	90 Å²	90	38.1 Å²	38.1	55%	0.552	22%	0.216	S	C	*	.	H	α-helix	trans	-68.9	-39	179.7	-53.1	0	0	0	0	112.1	S494 S495 K496 L500 L501	S494-T498 WeakPolarHBondContact O-CB 3.47Å; S494-T498 PolarHBondContact O-N 3.26Å; S494-T498 PolarHBondContact O-OG1 2.6Å; S495-T498 PolarHBondContact O-N 2.93Å; K496-T498 VanDerWaalsContact C-N 3.25Å; K496-T498 PolarHBondContact O-N 2.74Å; T498-L500 PolarHBondContact O-N 2.61Å; T498-L501 PolarHBondContact O-N 2.96Å
499	S	91.8	Very high	90	Very high	62 Å²	62	36.8 Å²	36.8	43%	0.434	21%	0.209	S	C	.	.	H	α-helix	trans	-64.3	-25.1	175.3	70.5	0	0	0	0	113.7	S495 K496	S495-S499 PolarHBondContact O-N 3.35Å; K496-S499 PolarHBondContact O-N 2.97Å; K496-S499 PolarHBondContact O-OG 3.45Å
500	L	93.5	Very high	90.4	Very high	9 Å²	9	36.3 Å²	36.3	5%	0.047	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-11.5	-179.5	-65.8	179.6	0	0	0	114.4	K496 H497 T498 L581 R582 R741 I742 D745	K496-L500 HydrophobicContact CD-CD1 4.39Å; K496-L500 HydrophobicContact CD-CG 4.45Å; K496-L500 HydrophobicContact CG-CD1 4.07Å; K496-L500 HydrophobicContact CG-CG 4.46Å; K496-L500 VanDerWaalsContact O-CG 3.31Å; K496-L500 WeakPolarHBondContact O-CG 3.44Å; K496-L500 PolarHBondContact O-N 3.46Å; K496-L500 VanDerWaalsContact O-N 3.09Å; H497-L500 PolarHBondContact O-N 3.25Å; T498-L500 PolarHBondContact O-N 2.61Å; L500-L581 HydrophobicContact CB-CD2 3.99Å; L500-L581 HydrophobicContact CD1-CD2 4.29Å; L500-L581 HydrophobicContact CD2-CD2 4.45Å; L500-L581 HydrophobicContact CG-CD2 4.47Å; L500-L581 CarbonylContact O-C 3.34Å; L500-L581 WeakPolarHBondContact O-CA 3.26Å; L500-R582 PolarHBondContact O-N 3.11Å; L500-R741 HydrophobicContact CB-CG 4.4Å; L500-I742 HydrophobicContact CD1-CG1 4.35Å; L500-D745 HydrophobicContact CD1-CB 3.53Å; L500-D745 HydrophobicContact CD2-CB 3.75Å; L500-D745 VanDerWaalsContact CD2-OD1 3.24Å; L500-D745 WeakPolarHBondContact CD2-OD1 3.29Å; L500-D745 HydrophobicContact CG-CB 4.28Å
501	L	92	Very high	90.8	Very high	45 Å²	45	38.5 Å²	38.5	24%	0.236	22%	0.216	C	C	.	.	S	Bend	trans	-68.4	134.2	177.2	-68.4	174.6	0	0	0	110.3	H497 T498	H497-L501 PolarHBondContact O-N 3.37Å; T498-L501 PolarHBondContact O-N 2.96Å
502	P	92	Very high	91	Very high	30 Å²	30	37.2 Å²	37.2	20%	0.195	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-55	142.1	168.2	-23.2	32.8	0	0	0	111.4	E506 V507 L580	P502-E506 HydrophobicContact CB-CB 4.07Å; P502-V507 HydrophobicContact CB-CG2 3.94Å; P502-L580 WeakPolarHBondContact CD-O 3.41Å; P502-L580 HydrophobicContact CG-CB 4.03Å
503	T	90.8	Very high	91.1	Very high	41 Å²	41	36.9 Å²	36.9	25%	0.252	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-67.1	161.5	178.3	61.1	0	0	0	0	111.8	W505 E506 V507 R582	T503-W505 PolarHBondContact O-N 2.83Å; T503-E506 VanDerWaalsContact CB-OE2 3.31Å; T503-E506 WeakPolarHBondContact CB-OE2 3.45Å; T503-E506 WeakPolarHBondContact CG2-OE2 3.31Å; T503-E506 PolarHBondContact N-OE2 2.87Å; T503-E506 PolarHBondContact O-N 3.08Å; T503-E506 WeakPolarHBondContact OG1-CG 3.5Å; T503-E506 PolarHBondContact OG1-N 3.11Å; T503-E506 PolarHBondContact OG1-OE2 3Å; T503-V507 WeakPolarHBondContact O-CG2 3.47Å; T503-V507 PolarHBondContact O-N 3.39Å; T503-R582 HydrophobicContact CG2-CG 4.47Å
504	A	87.1	Confident	91.2	Very high	62 Å²	62	36.9 Å²	36.9	51%	0.512	21%	0.214	S	C	.	.	H	α-helix	trans	-53.7	-38.3	177.9	0	0	0	0	0	112.9	Q508	A504-Q508 VanDerWaalsContact O-CB 3.31Å; A504-Q508 WeakPolarHBondContact O-CB 3.43Å; A504-Q508 PolarHBondContact O-N 3.11Å
505	W	84.6	Confident	91.4	Very high	69 Å²	69	37.6 Å²	37.6	26%	0.261	22%	0.217	S	C	.	.	H	α-helix	trans	-66.6	-44.1	175.7	-65	118.4	0	0	0	112.9	T503 Q508 A509 N646 A665 W667	T503-W505 PolarHBondContact O-N 2.83Å; W505-Q508 PolarHBondContact O-N 2.82Å; W505-A509 VanDerWaalsContact O-CB 3.31Å; W505-A509 WeakPolarHBondContact O-CB 3.38Å; W505-A509 PolarHBondContact O-N 3.4Å; W505-N646 WeakPolarHBondContact CH2-ND2 3.41Å; W505-N646 WeakPolarHBondContact CH2-OD1 3.4Å; W505-N646 VanDerWaalsContact CZ3-OD1 3.3Å; W505-N646 WeakPolarHBondContact CZ3-OD1 3.37Å; W505-A665 HydrophobicContact CD2-CB 4.27Å; W505-A665 HydrophobicContact CZ2-CB 4.05Å; W505-W667 HydrophobicContact CE3-CZ3 4.2Å; W505-W667 HydrophobicContact CZ3-CZ3 4.33Å
506	E	91	Very high	91.5	Very high	22 Å²	22	35.7 Å²	35.7	10%	0.103	20%	0.203	C	C	.	.	H	α-helix	trans	-63.8	-41.5	176	-69.3	165.8	115.2	0	0	111.7	P502 T503 M510 G583 H585 P668	P502-E506 HydrophobicContact CB-CB 4.07Å; T503-E506 VanDerWaalsContact CB-OE2 3.31Å; T503-E506 WeakPolarHBondContact CB-OE2 3.45Å; T503-E506 WeakPolarHBondContact CG2-OE2 3.31Å; T503-E506 PolarHBondContact N-OE2 2.87Å; T503-E506 PolarHBondContact O-N 3.08Å; T503-E506 WeakPolarHBondContact OG1-CG 3.5Å; T503-E506 PolarHBondContact OG1-N 3.11Å; T503-E506 PolarHBondContact OG1-OE2 3Å; E506-M510 WeakPolarHBondContact O-CB 3.31Å; E506-M510 PolarHBondContact O-N 2.65Å; E506-G583 WeakPolarHBondContact OE1-CA 3.38Å; E506-G583 PolarHBondContact OE1-N 3.5Å; E506-H585 IonicContact OE1-CD2 2.74Å; E506-H585 IonicContact OE1-CE1 3.05Å; E506-H585 IonicContact OE1-NE2 2.77Å; E506-H585 PolarHBondContact OE1-NE2 2.98Å; E506-P668 HydrophobicContact CG-CG 4.25Å
507	V	90.7	Very high	91.5	Very high	47 Å²	47	34.5 Å²	34.5	29%	0.285	20%	0.198	S	C	.	.	H	α-helix	trans	-64.2	-44.1	175.2	179	0	0	0	0	110.8	P502 T503 M511	P502-V507 HydrophobicContact CB-CG2 3.94Å; T503-V507 WeakPolarHBondContact O-CG2 3.47Å; T503-V507 PolarHBondContact O-N 3.39Å; V507-M511 HydrophobicContact CG1-CE 4.06Å; V507-M511 HydrophobicContact CG1-CG 4.37Å; V507-M511 HydrophobicContact CG1-SD 4.23Å; V507-M511 WeakPolarHBondContact O-CB 3.42Å; V507-M511 VanDerWaalsContact O-CG 3.24Å; V507-M511 WeakPolarHBondContact O-CG 3.38Å; V507-M511 PolarHBondContact O-N 3.37Å
508	Q	89.2	Confident	91.7	Very high	66 Å²	66	35.3 Å²	35.3	31%	0.308	20%	0.202	S	C	.	.	H	α-helix	trans	-63.8	-46.2	177.9	-175.9	176.7	-12.4	0	0	112	A504 W505 M511 L512 W667	A504-Q508 VanDerWaalsContact O-CB 3.31Å; A504-Q508 WeakPolarHBondContact O-CB 3.43Å; A504-Q508 PolarHBondContact O-N 3.11Å; W505-Q508 PolarHBondContact O-N 2.82Å; Q508-M511 PolarHBondContact O-N 2.79Å; Q508-L512 WeakPolarHBondContact O-CB 3.23Å; Q508-L512 PolarHBondContact O-N 3.29Å; Q508-W667 HydrophobicContact CG-CH2 4.16Å
509	A	90.6	Very high	91.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-46	177.7	0	0	0	0	0	112.1	W505 L512 A513 W667 P668 I670	W505-A509 VanDerWaalsContact O-CB 3.31Å; W505-A509 WeakPolarHBondContact O-CB 3.38Å; W505-A509 PolarHBondContact O-N 3.4Å; A509-L512 PolarHBondContact O-N 2.86Å; A509-A513 WeakPolarHBondContact O-CB 3.41Å; A509-A513 PolarHBondContact O-N 3.06Å; A509-W667 HydrophobicContact CB-CD2 4.38Å; A509-W667 HydrophobicContact CB-CZ2 3.78Å; A509-P668 HydrophobicContact CB-CG 3.66Å; A509-I670 HydrophobicContact CB-CD1 3.97Å; A509-I670 HydrophobicContact CB-CG1 4.01Å
510	M	93.1	Very high	91.9	Very high	11 Å²	11	35.6 Å²	35.6	5%	0.054	18%	0.183	C	C	.	.	H	α-helix	trans	-62.7	-46.9	176.7	-175.9	62.3	73.3	0	0	111.6	E506 L512 V514 L575 L580 A587 I670 L672	E506-M510 WeakPolarHBondContact O-CB 3.31Å; E506-M510 PolarHBondContact O-N 2.65Å; M510-L512 PolarHBondContact O-N 3.11Å; M510-V514 HydrophobicContact CG-CG2 4.44Å; M510-V514 WeakPolarHBondContact O-CB 3.38Å; M510-V514 WeakPolarHBondContact O-CG2 3.24Å; M510-V514 PolarHBondContact O-N 3.18Å; M510-V514 HydrophobicContact SD-CG2 4.01Å; M510-L575 HydrophobicContact CG-CD1 4.14Å; M510-L580 HydrophobicContact CE-CD1 4.26Å; M510-L580 HydrophobicContact CG-CD1 4.12Å; M510-A587 HydrophobicContact CE-CB 3.86Å; M510-A587 HydrophobicContact SD-CB 3.55Å; M510-A587 VanDerWaalsContact SD-CB 3.55Å; M510-I670 HydrophobicContact CE-CD1 4.33Å; M510-I670 HydrophobicContact CE-CG2 3.9Å; M510-I670 HydrophobicContact SD-CG2 3.75Å; M510-L672 HydrophobicContact SD-CD2 4.06Å
511	M	92.2	Very high	91.9	Very high	61 Å²	61	35.2 Å²	35.2	30%	0.3	18%	0.181	S	C	.	.	H	α-helix	trans	-59.4	-44.3	176.4	-76.4	-171.1	-52.6	0	0	112	Q136 V507 Q508 T515	Q136-M511 PolarHBondContact NE2-SD 3.45Å; Q136-M511 VanDerWaalsContact NE2-SD 3.38Å; V507-M511 HydrophobicContact CG1-CE 4.06Å; V507-M511 HydrophobicContact CG1-CG 4.37Å; V507-M511 HydrophobicContact CG1-SD 4.23Å; V507-M511 WeakPolarHBondContact O-CB 3.42Å; V507-M511 VanDerWaalsContact O-CG 3.24Å; V507-M511 WeakPolarHBondContact O-CG 3.38Å; V507-M511 PolarHBondContact O-N 3.37Å; Q508-M511 PolarHBondContact O-N 2.79Å; M511-T515 VanDerWaalsContact O-CB 3.23Å; M511-T515 WeakPolarHBondContact O-CB 3.35Å; M511-T515 PolarHBondContact O-N 2.98Å; M511-T515 PolarHBondContact O-OG1 3.32Å
512	L	92	Very high	92	Very high	49 Å²	49	35.7 Å²	35.7	26%	0.257	18%	0.181	S	C	.	.	H	α-helix	trans	-64.5	-51.5	-179.3	-177.3	60.6	0	0	0	111.1	Q508 A509 M510 V514 T515 I516 L620 W667	Q508-L512 WeakPolarHBondContact O-CB 3.23Å; Q508-L512 PolarHBondContact O-N 3.29Å; A509-L512 PolarHBondContact O-N 2.86Å; M510-L512 PolarHBondContact O-N 3.11Å; L512-V514 PolarHBondContact O-N 3.1Å; L512-T515 PolarHBondContact O-N 3.37Å; L512-I516 HydrophobicContact CD1-CD1 3.8Å; L512-I516 HydrophobicContact CD1-CG1 4.3Å; L512-I516 HydrophobicContact CG-CD1 3.82Å; L512-I516 VanDerWaalsContact O-CG1 3.29Å; L512-I516 WeakPolarHBondContact O-CG1 3.27Å; L512-I516 PolarHBondContact O-N 2.72Å; L512-L620 HydrophobicContact CD2-CD1 4.06Å; L512-L620 HydrophobicContact CG-CD1 4.33Å; L512-W667 HydrophobicContact CD2-CZ2 4.01Å
513	A	93.1	Very high	92	Very high	2 Å²	2	36.6 Å²	36.6	2%	0.017	19%	0.188	C	C	.	.	H	α-helix	trans	-58.2	-47.6	179.2	0	0	0	0	0	112.1	A509 I516 C517 V637 I670 L672	A509-A513 WeakPolarHBondContact O-CB 3.41Å; A509-A513 PolarHBondContact O-N 3.06Å; A513-I516 PolarHBondContact O-N 2.79Å; A513-C517 PolarHBondContact O-N 3.03Å; A513-V637 HydrophobicContact CB-CB 4.15Å; A513-V637 HydrophobicContact CB-CG1 4.26Å; A513-V637 HydrophobicContact CB-CG2 4Å; A513-I670 HydrophobicContact CB-CB 4.04Å; A513-I670 HydrophobicContact CB-CG1 4.31Å; A513-I670 HydrophobicContact CB-CG2 3.86Å; A513-L672 HydrophobicContact CB-CD1 3.98Å
514	V	94.2	Very high	92.1	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	18%	0.176	C	C	.	.	H	α-helix	trans	-62.8	-44.4	178	171.8	0	0	0	0	111.1	M510 L512 I516 C517 E518 R571 L575 L589 L672	M510-V514 HydrophobicContact CG-CG2 4.44Å; M510-V514 WeakPolarHBondContact O-CB 3.38Å; M510-V514 WeakPolarHBondContact O-CG2 3.24Å; M510-V514 PolarHBondContact O-N 3.18Å; M510-V514 HydrophobicContact SD-CG2 4.01Å; L512-V514 PolarHBondContact O-N 3.1Å; V514-I516 VanDerWaalsContact C-N 3.33Å; V514-I516 PolarHBondContact O-N 3.03Å; V514-C517 PolarHBondContact O-N 3.18Å; V514-E518 HydrophobicContact CG1-CG 4.28Å; V514-E518 WeakPolarHBondContact CG1-OE1 3.22Å; V514-E518 WeakPolarHBondContact O-CB 3.36Å; V514-E518 WeakPolarHBondContact O-CG 3.43Å; V514-E518 PolarHBondContact O-N 2.82Å; V514-R571 HydrophobicContact CG1-CG 4.36Å; V514-L575 HydrophobicContact CG1-CD2 4.28Å; V514-L575 HydrophobicContact CG2-CD2 3.7Å; V514-L589 HydrophobicContact CG1-CD2 4.33Å; V514-L672 HydrophobicContact CG2-CD1 4.25Å; V514-L672 HydrophobicContact CG2-CD2 3.74Å
515	T	93	Very high	92.4	Very high	43 Å²	43	31.8 Å²	31.8	26%	0.264	15%	0.152	S	C	.	.	H	α-helix	trans	-63	-38.5	179.4	-59.1	0	0	0	0	112	M511 L512 R519	M511-T515 VanDerWaalsContact O-CB 3.23Å; M511-T515 WeakPolarHBondContact O-CB 3.35Å; M511-T515 PolarHBondContact O-N 2.98Å; M511-T515 PolarHBondContact O-OG1 3.32Å; L512-T515 PolarHBondContact O-N 3.37Å; T515-R519 HydrophobicContact CG2-CG 4.49Å; T515-R519 WeakPolarHBondContact O-CB 3.19Å; T515-R519 VanDerWaalsContact O-CG 3.24Å; T515-R519 WeakPolarHBondContact O-CG 3.47Å; T515-R519 PolarHBondContact O-N 2.74Å
516	I	92.9	Very high	92.7	Very high	8 Å²	8	31.2 Å²	31.2	4%	0.041	15%	0.154	C	C	.	.	H	α-helix	trans	-68.7	-43.1	176.8	-64.7	163	0	0	0	110.5	L512 A513 V514 R519 S520 M613 E617 L620	L512-I516 HydrophobicContact CD1-CD1 3.8Å; L512-I516 HydrophobicContact CD1-CG1 4.3Å; L512-I516 HydrophobicContact CG-CD1 3.82Å; L512-I516 VanDerWaalsContact O-CG1 3.29Å; L512-I516 WeakPolarHBondContact O-CG1 3.27Å; L512-I516 PolarHBondContact O-N 2.72Å; A513-I516 PolarHBondContact O-N 2.79Å; V514-I516 VanDerWaalsContact C-N 3.33Å; V514-I516 PolarHBondContact O-N 3.03Å; I516-R519 PolarHBondContact O-N 2.68Å; I516-S520 VanDerWaalsContact O-CB 3.29Å; I516-S520 WeakPolarHBondContact O-CB 3.36Å; I516-S520 PolarHBondContact O-N 3.24Å; I516-S520 PolarHBondContact O-OG 3.02Å; I516-M613 HydrophobicContact CG2-CB 4.34Å; I516-M613 HydrophobicContact CG2-CE 3.93Å; I516-M613 HydrophobicContact CG2-CG 4.1Å; I516-E617 HydrophobicContact CD1-CB 3.79Å; I516-E617 HydrophobicContact CD1-CG 3.92Å; I516-E617 HydrophobicContact CG1-CB 4.46Å; I516-L620 HydrophobicContact CD1-CD1 3.62Å
517	C	94.6	Very high	92.6	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60	-46.9	173.4	-89.8	0	0	0	0	112.5	A513 V514 R519 S520 L521 L589 M613 L672	A513-C517 PolarHBondContact O-N 3.03Å; V514-C517 PolarHBondContact O-N 3.18Å; C517-R519 PolarHBondContact O-N 3.03Å; C517-S520 PolarHBondContact O-N 3.18Å; C517-L521 WeakPolarHBondContact O-CB 3.46Å; C517-L521 WeakPolarHBondContact O-CG 3.47Å; C517-L521 PolarHBondContact O-N 3.38Å; C517-L589 HydrophobicContact CB-CD1 4.24Å; C517-M613 VanDerWaalsContact SG-CE 3.54Å; C517-L672 HydrophobicContact CB-CD1 4.01Å; C517-L672 VanDerWaalsContact SG-CD1 3.58Å
518	E	94.5	Very high	92.5	Very high	23 Å²	23	34 Å²	34	11%	0.107	16%	0.16	C	C	.	.	H	α-helix	trans	-61.2	-44.2	177.9	-74.2	170.8	166.9	0	0	111.8	V514 K522 V569 R571	V514-E518 HydrophobicContact CG1-CG 4.28Å; V514-E518 WeakPolarHBondContact CG1-OE1 3.22Å; V514-E518 WeakPolarHBondContact O-CB 3.36Å; V514-E518 WeakPolarHBondContact O-CG 3.43Å; V514-E518 PolarHBondContact O-N 2.82Å; E518-K522 VanDerWaalsContact O-CB 3.26Å; E518-K522 WeakPolarHBondContact O-CB 3.48Å; E518-K522 PolarHBondContact O-N 2.89Å; E518-V569 HydrophobicContact CG-CG1 4.05Å; E518-R571 IonicContact OE1-CZ 2.75Å; E518-R571 IonicContact OE1-NE 2.83Å; E518-R571 PolarHBondContact OE1-NE 3.04Å; E518-R571 IonicContact OE1-NH2 3.27Å; E518-R571 PolarHBondContact OE1-NH2 3.02Å; E518-R571 IonicContact OE2-CZ 2.76Å; E518-R571 IonicContact OE2-NE 3.27Å; E518-R571 IonicContact OE2-NH2 3.29Å; E518-R571 PolarHBondContact OE2-NH2 3.2Å
519	R	93.7	Very high	92.4	Very high	158 Å²	158	31.9 Å²	31.9	60%	0.596	15%	0.15	S	C	*	.	H	α-helix	trans	-64.5	-38.5	174.3	-73.5	173.8	179.8	-173.9	1	112.6	T515 I516 C517 K522 C523 L616	T515-R519 HydrophobicContact CG2-CG 4.49Å; T515-R519 WeakPolarHBondContact O-CB 3.19Å; T515-R519 VanDerWaalsContact O-CG 3.24Å; T515-R519 WeakPolarHBondContact O-CG 3.47Å; T515-R519 PolarHBondContact O-N 2.74Å; I516-R519 PolarHBondContact O-N 2.68Å; C517-R519 PolarHBondContact O-N 3.03Å; R519-K522 WeakPolarHBondContact O-CB 3.32Å; R519-K522 PolarHBondContact O-N 3.46Å; R519-C523 PolarHBondContact O-N 3.06Å; R519-C523 PolarHBondContact O-SG 3.33Å; R519-L616 HydrophobicContact CB-CD1 4.05Å
520	S	94.9	Very high	92.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-67.5	-48.8	179.1	-58.1	0	0	0	0	111.2	I516 C517 K522 C523 V524 M613 L616	I516-S520 VanDerWaalsContact O-CB 3.29Å; I516-S520 WeakPolarHBondContact O-CB 3.36Å; I516-S520 PolarHBondContact O-N 3.24Å; I516-S520 PolarHBondContact O-OG 3.02Å; C517-S520 PolarHBondContact O-N 3.18Å; S520-K522 VanDerWaalsContact C-N 3.28Å; S520-K522 PolarHBondContact O-N 3.36Å; S520-C523 CarbonylContact O-C 3.55Å; S520-C523 WeakPolarHBondContact O-CA 3.37Å; S520-C523 WeakPolarHBondContact O-CB 3.31Å; S520-C523 PolarHBondContact O-N 2.98Å; S520-V524 WeakPolarHBondContact O-CG2 3.47Å; S520-V524 PolarHBondContact O-N 2.98Å; S520-M613 WeakPolarHBondContact OG-CG 3.38Å; S520-L616 WeakPolarHBondContact OG-CD1 3.43Å
521	L	94.8	Very high	91.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.1	-37.1	173.9	-68.5	173.9	0	0	0	111.9	Y145 C517 C523 V524 S525 V569 L591 V605 I609 I674	Y145-L521 WeakPolarHBondContact OH-CB 3.32Å; Y145-L521 PolarHBondContact OH-O 2.85Å; C517-L521 WeakPolarHBondContact O-CB 3.46Å; C517-L521 WeakPolarHBondContact O-CG 3.47Å; C517-L521 PolarHBondContact O-N 3.38Å; L521-C523 VanDerWaalsContact C-N 3.28Å; L521-C523 PolarHBondContact O-N 2.66Å; L521-V524 PolarHBondContact O-N 2.87Å; L521-S525 PolarHBondContact O-N 2.83Å; L521-V569 HydrophobicContact CB-CG2 3.95Å; L521-V569 HydrophobicContact CD1-CG1 4.2Å; L521-V569 HydrophobicContact CD1-CG2 3.59Å; L521-V569 HydrophobicContact CG-CG2 4.41Å; L521-L591 HydrophobicContact CD2-CD2 4.08Å; L521-V605 HydrophobicContact CD2-CG1 3.65Å; L521-I609 HydrophobicContact CD2-CD1 3.8Å; L521-I609 HydrophobicContact CD2-CG1 4.35Å; L521-I609 HydrophobicContact CG-CD1 3.84Å; L521-I674 HydrophobicContact CD1-CD1 4.22Å; L521-I674 HydrophobicContact CD1-CG2 4.32Å
522	K	92.7	Very high	91.1	Very high	55 Å²	55	39 Å²	39	24%	0.239	18%	0.182	C	C	.	.	H	α-helix	trans	-58.4	-41.2	172.3	-178.2	63.1	173.4	-166.5	0	111.8	V144 Y145 E518 R519 S520 N526	V144-K522 HydrophobicContact CG1-CD 4.47Å; V144-K522 WeakPolarHBondContact O-CE 3.06Å; V144-K522 PolarHBondContact O-NZ 2.98Å; Y145-K522 HydrophobicContact CD1-CD 3.72Å; Y145-K522 HydrophobicContact CE1-CB 4.34Å; Y145-K522 HydrophobicContact CE1-CD 3.65Å; Y145-K522 HydrophobicContact CG-CD 4.45Å; Y145-K522 PolarHBondContact OH-N 2.86Å; E518-K522 VanDerWaalsContact O-CB 3.26Å; E518-K522 WeakPolarHBondContact O-CB 3.48Å; E518-K522 PolarHBondContact O-N 2.89Å; R519-K522 WeakPolarHBondContact O-CB 3.32Å; R519-K522 PolarHBondContact O-N 3.46Å; S520-K522 VanDerWaalsContact C-N 3.28Å; S520-K522 PolarHBondContact O-N 3.36Å; K522-N526 WeakPolarHBondContact O-CB 3.29Å; K522-N526 PolarHBondContact O-N 3.4Å; K522-N526 VanDerWaalsContact O-N 3.09Å; K522-N526 PolarHBondContact O-ND2 2.92Å
523	C	92.7	Very high	90.5	Very high	49 Å²	49	41.6 Å²	41.6	33%	0.331	19%	0.188	S	C	.	.	H	α-helix	trans	-69.4	-40.8	174.7	-65.4	0	0	0	0	112.7	R519 S520 L521 S525 N526 Y527 L612	R519-C523 PolarHBondContact O-N 3.06Å; R519-C523 PolarHBondContact O-SG 3.33Å; S520-C523 CarbonylContact O-C 3.55Å; S520-C523 WeakPolarHBondContact O-CA 3.37Å; S520-C523 WeakPolarHBondContact O-CB 3.31Å; S520-C523 PolarHBondContact O-N 2.98Å; L521-C523 VanDerWaalsContact C-N 3.28Å; L521-C523 PolarHBondContact O-N 2.66Å; C523-S525 PolarHBondContact O-N 2.8Å; C523-N526 PolarHBondContact O-N 2.93Å; C523-Y527 WeakPolarHBondContact O-CB 3.21Å; C523-Y527 PolarHBondContact O-N 3.38Å; C523-L612 HydrophobicContact CB-CD1 3.88Å; C523-L612 HydrophobicContact CB-CD2 3.99Å
524	V	93.3	Very high	89.2	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-58.1	-49.4	174.2	179.3	0	0	0	0	111.3	S520 L521 N526 Y527 I528 L566 Y604 V605 L612	S520-V524 WeakPolarHBondContact O-CG2 3.47Å; S520-V524 PolarHBondContact O-N 2.98Å; L521-V524 PolarHBondContact O-N 2.87Å; V524-N526 VanDerWaalsContact C-N 3.34Å; V524-N526 PolarHBondContact O-N 3.18Å; V524-Y527 PolarHBondContact O-N 3.28Å; V524-Y527 VanDerWaalsContact O-N 3.15Å; V524-I528 HydrophobicContact CG1-CD1 4.03Å; V524-I528 WeakPolarHBondContact O-CG1 3.21Å; V524-I528 PolarHBondContact O-N 2.79Å; V524-L566 HydrophobicContact CG1-CD1 4.03Å; V524-Y604 HydrophobicContact CG1-CE1 4.27Å; V524-V605 HydrophobicContact CG1-CG2 4.26Å; V524-L612 HydrophobicContact CB-CD1 4.49Å; V524-L612 HydrophobicContact CG2-CD1 3.49Å; V524-L612 VanDerWaalsContact CG2-CD1 3.49Å
525	S	92.1	Very high	87.5	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.014	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-41.2	177.6	-175.4	0	0	0	0	112.3	Y145 L521 C523 Y527 L529 R564 L566	Y145-S525 WeakPolarHBondContact CD1-OG 3.07Å; L521-S525 PolarHBondContact O-N 2.83Å; C523-S525 PolarHBondContact O-N 2.8Å; S525-Y527 VanDerWaalsContact C-N 3.34Å; S525-L529 WeakPolarHBondContact O-CB 3.31Å; S525-L529 PolarHBondContact O-N 2.87Å; S525-R564 WeakPolarHBondContact OG-CD 3.45Å; S525-R564 WeakPolarHBondContact OG-CG 3.22Å; S525-R564 PolarHBondContact OG-NH1 3.13Å; S525-L566 PolarHBondContact OG-O 2.81Å
526	N	91.5	Very high	85.7	Confident	57 Å²	57	53 Å²	53	31%	0.305	25%	0.246	S	C	.	.	H	α-helix	trans	-66	-35	175.1	-74.8	-11.6	0	0	0	112.4	K522 C523 V524 K530 R564	K522-N526 WeakPolarHBondContact O-CB 3.29Å; K522-N526 PolarHBondContact O-N 3.4Å; K522-N526 VanDerWaalsContact O-N 3.09Å; K522-N526 PolarHBondContact O-ND2 2.92Å; C523-N526 PolarHBondContact O-N 2.93Å; V524-N526 VanDerWaalsContact C-N 3.34Å; V524-N526 PolarHBondContact O-N 3.18Å; N526-K530 WeakPolarHBondContact O-CG 3.43Å; N526-K530 PolarHBondContact O-N 2.88Å; N526-R564 PolarHBondContact OD1-NH1 2.84Å; N526-R564 PolarHBondContact OD1-NH2 2.8Å
527	Y	89.5	Confident	83.9	Confident	122 Å²	122	58.1 Å²	58.1	48%	0.478	27%	0.273	S	S	.	.	H	α-helix	trans	-69.6	-43.8	176.6	-178.4	-119.2	0	0	0	111.8	C523 V524 S525 L529 K530 Q531 Y604	C523-Y527 WeakPolarHBondContact O-CB 3.21Å; C523-Y527 PolarHBondContact O-N 3.38Å; V524-Y527 PolarHBondContact O-N 3.28Å; V524-Y527 VanDerWaalsContact O-N 3.15Å; S525-Y527 VanDerWaalsContact C-N 3.34Å; Y527-L529 PolarHBondContact O-N 2.74Å; Y527-K530 PolarHBondContact O-N 3.45Å; Y527-Q531 VanDerWaalsContact CE1-NE2 3.33Å; Y527-Q531 HydrophobicContact CE2-CG 4.44Å; Y527-Q531 WeakPolarHBondContact O-CG 3.39Å; Y527-Q531 PolarHBondContact O-N 2.9Å; Y527-Q531 PolarHBondContact OH-NE2 2.76Å; Y527-Y604 VanDerWaalsContact CD1-OH 3.31Å; Y527-Y604 WeakPolarHBondContact CD1-OH 3.41Å; Y527-Y604 VanDerWaalsContact CE1-OH 3.32Å; Y527-Y604 WeakPolarHBondContact CE1-OH 3.4Å
528	I	87.8	Confident	81.9	Confident	5 Å²	5	64.6 Å²	64.6	3%	0.026	31%	0.307	C	S	.	.	H	α-helix	trans	-58	-47.6	171.8	-64.7	166.6	0	0	0	110.3	V524 K530 Q531 V532 L565 L566 Y604	V524-I528 HydrophobicContact CG1-CD1 4.03Å; V524-I528 WeakPolarHBondContact O-CG1 3.21Å; V524-I528 PolarHBondContact O-N 2.79Å; I528-K530 VanDerWaalsContact C-N 3.34Å; I528-K530 PolarHBondContact O-N 2.83Å; I528-Q531 PolarHBondContact O-N 2.85Å; I528-V532 WeakPolarHBondContact O-CG2 3.44Å; I528-V532 PolarHBondContact O-N 2.96Å; I528-L565 HydrophobicContact CG2-CB 4.39Å; I528-L565 HydrophobicContact CG2-CD2 4.32Å; I528-L566 HydrophobicContact CD1-CD1 3.78Å; I528-L566 HydrophobicContact CD1-CG 4.11Å; I528-Y604 HydrophobicContact CD1-CD1 4.43Å; I528-Y604 HydrophobicContact CD1-CE1 3.88Å; I528-Y604 HydrophobicContact CG1-CE1 3.73Å
529	L	87.2	Confident	79.5	Confident	22 Å²	22	66.8 Å²	66.8	12%	0.115	32%	0.324	C	S	.	.	H	α-helix	trans	-62.5	-38.4	179.4	-174.1	63.8	0	0	0	112.5	S525 Y527 V532 R533	S525-L529 WeakPolarHBondContact O-CB 3.31Å; S525-L529 PolarHBondContact O-N 2.87Å; Y527-L529 PolarHBondContact O-N 2.74Å; L529-V532 PolarHBondContact O-N 3.33Å; L529-R533 PolarHBondContact O-N 2.92Å
530	K	86.3	Confident	76.8	Confident	154 Å²	154	65.8 Å²	65.8	67%	0.67	33%	0.331	S	S	*	.	H	α-helix	trans	-63.1	-45.1	172.5	-79.2	-176.5	175.7	-169.6	0	112	N526 Y527 I528 V532 R533 S534	N526-K530 WeakPolarHBondContact O-CG 3.43Å; N526-K530 PolarHBondContact O-N 2.88Å; Y527-K530 PolarHBondContact O-N 3.45Å; I528-K530 VanDerWaalsContact C-N 3.34Å; I528-K530 PolarHBondContact O-N 2.83Å; K530-V532 VanDerWaalsContact C-N 3.27Å; K530-V532 PolarHBondContact O-N 2.96Å; K530-R533 PolarHBondContact O-N 2.91Å; K530-S534 VanDerWaalsContact O-CB 3.29Å; K530-S534 WeakPolarHBondContact O-CB 3.26Å; K530-S534 PolarHBondContact O-N 3.22Å; K530-S534 PolarHBondContact O-OG 3.18Å
531	Q	82.9	Confident	74	Confident	48 Å²	48	71.2 Å²	71.2	22%	0.224	36%	0.364	C	S	.	.	H	α-helix	trans	-61.4	-35.4	176.9	-73.2	-170.7	-12.2	0	0	112.6	Y527 I528 S534 V698	Y527-Q531 VanDerWaalsContact CE1-NE2 3.33Å; Y527-Q531 HydrophobicContact CE2-CG 4.44Å; Y527-Q531 WeakPolarHBondContact O-CG 3.39Å; Y527-Q531 PolarHBondContact O-N 2.9Å; Y527-Q531 PolarHBondContact OH-NE2 2.76Å; I528-Q531 PolarHBondContact O-N 2.85Å; Q531-S534 WeakPolarHBondContact CA-OG 3.49Å; Q531-S534 PolarHBondContact O-OG 3.07Å; Q531-S534 VanDerWaalsContact O-OG 3.1Å; Q531-V698 HydrophobicContact CB-CG2 4.2Å
532	V	79.1	Confident	71.3	Confident	21 Å²	21	77.3 Å²	77.3	13%	0.127	40%	0.402	C	S	.	.	H	α-helix	trans	-66.7	-52	173.9	170.3	0	0	0	0	111.4	I528 L529 K530 S534 P696 I699	I528-V532 WeakPolarHBondContact O-CG2 3.44Å; I528-V532 PolarHBondContact O-N 2.96Å; L529-V532 PolarHBondContact O-N 3.33Å; K530-V532 VanDerWaalsContact C-N 3.27Å; K530-V532 PolarHBondContact O-N 2.96Å; V532-S534 PolarHBondContact O-N 3.48Å; V532-P696 HydrophobicContact CG1-CB 4.34Å; V532-P696 HydrophobicContact CG1-CG 3.92Å; V532-P696 HydrophobicContact CG2-CB 4.19Å; V532-P696 HydrophobicContact CG2-CG 4.43Å; V532-I699 HydrophobicContact CG2-CD1 3.88Å; V532-I699 HydrophobicContact CG2-CG1 4.08Å
533	R	79.2	Confident	68.8	Low	104 Å²	104	81.2 Å²	81.2	39%	0.392	42%	0.424	S	S	.	.	H	α-helix	trans	-57.4	-51.7	178.5	-72	-172.9	179.9	-165.9	0.6	111.5	L529 K530 K535 L536 E558	L529-R533 PolarHBondContact O-N 2.92Å; K530-R533 PolarHBondContact O-N 2.91Å; R533-K535 PolarHBondContact O-N 3.41Å; R533-L536 PolarHBondContact O-N 3.06Å; R533-E558 IonicContact CZ-OE1 2.82Å; R533-E558 IonicContact NH1-OE1 3.86Å; R533-E558 PolarHBondContact NH1-OE1 2.99Å; R533-E558 IonicContact NH2-OE1 2.83Å; R533-E558 PolarHBondContact NH2-OE1 2.64Å
534	S	66.2	Low	65.9	Low	63 Å²	63	88.4 Å²	88.4	44%	0.441	45%	0.45	S	S	.	.	H	α-helix	trans	-60.9	2.4	-173.6	66.9	0	0	0	0	117.7	K530 Q531 V532	K530-S534 VanDerWaalsContact O-CB 3.29Å; K530-S534 WeakPolarHBondContact O-CB 3.26Å; K530-S534 PolarHBondContact O-N 3.22Å; K530-S534 PolarHBondContact O-OG 3.18Å; Q531-S534 WeakPolarHBondContact CA-OG 3.49Å; Q531-S534 PolarHBondContact O-OG 3.07Å; Q531-S534 VanDerWaalsContact O-OG 3.1Å; V532-S534 PolarHBondContact O-N 3.48Å
535	K	57.9	Low	63	Low	120 Å²	120	93.4 Å²	93.4	52%	0.522	49%	0.491	S	S	.	.	H	α-helix	trans	-121	-15.9	176	-70	-161.7	168.8	-155.8	0	114.3	R533 P697	R533-K535 PolarHBondContact O-N 3.41Å; K535-P697 HydrophobicContact CD-CG 4Å
536	L	57.1	Low	60.5	Low	101 Å²	101	102 Å²	102	53%	0.529	53%	0.528	S	S	.	.	H	α-helix	trans	-70.2	-43.2	166.2	-68.1	160.1	0	0	0	108.9	R533 L538 C539	R533-L536 PolarHBondContact O-N 3.06Å; L536-L538 PolarHBondContact O-N 3.05Å; L536-C539 PolarHBondContact O-N 2.86Å; L536-C539 PolarHBondContact O-SG 3.27Å
537	D	53.9	Low	57.9	Low	117 Å²	117	104.5 Å²	104.5	63%	0.626	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-3.3	175.2	-45.6	-37.3	0	0	0	114.8
538	L	53.5	Low	55.2	Low	135 Å²	135	103.5 Å²	103.5	71%	0.707	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.8	-2.2	-171.6	-134.2	80.8	0	0	0	115.1	L536	L536-L538 PolarHBondContact O-N 3.05Å
539	C	42.6	Very low	52.5	Low	69 Å²	69	110.9 Å²	110.9	47%	0.466	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107	-28.2	177.5	58.5	0	0	0	0	114.3	L536 T541	L536-C539 PolarHBondContact O-N 2.86Å; L536-C539 PolarHBondContact O-SG 3.27Å; C539-T541 VanDerWaalsContact C-N 3.25Å; C539-T541 PolarHBondContact O-N 2.92Å
540	D	37.1	Very low	50.3	Low	137 Å²	137	117.4 Å²	117.4	73%	0.733	63%	0.634	S	S	*	*	S	Bend	trans	-76.5	-5.1	-177.9	-73.8	-32.5	0	0	0	114.5	T542	D540-T542 PolarHBondContact O-N 3.3Å
541	T	37.4	Very low	47.9	Very low	114 Å²	114	117.4 Å²	117.4	70%	0.699	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	5	-168.7	-26.4	0	0	0	0	115.5	C539	C539-T541 VanDerWaalsContact C-N 3.25Å; C539-T541 PolarHBondContact O-N 2.92Å
542	T	37.9	Very low	45.8	Very low	129 Å²	129	122.9 Å²	122.9	79%	0.791	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.1	-4.6	-175.4	46.7	0	0	0	0	116.3	D540	D540-T542 PolarHBondContact O-N 3.3Å
543	I	39.5	Very low	43.8	Very low	137 Å²	137	127.7 Å²	127.7	70%	0.703	70%	0.697	S	S	*	*	S	Bend	trans	-138.5	78.6	177.3	-48.3	178.5	0	0	0	111
544	F	32	Very low	41.8	Very low	200 Å²	200	130.1 Å²	130.1	88%	0.877	72%	0.717	S	S	*	*			trans	-178.8	49.9	143.8	-99.4	-62.6	0	0	0	112.4	K546	F544-K546 PolarHBondContact O-N 3.05Å; F544-K546 VanDerWaalsContact O-N 3.1Å
545	A	32.3	Very low	40.4	Very low	105 Å²	105	134.4 Å²	134.4	87%	0.868	74%	0.735	S	S	*	*			trans	-84.3	74.1	177	0	0	0	0	0	112.5
546	K	39.4	Very low	39.4	Very low	183 Å²	183	135.7 Å²	135.7	80%	0.796	74%	0.743	S	S	*	*			trans	-170.8	128.2	166	-110.7	161.5	-173	175.8	0	112.1	F544	F544-K546 PolarHBondContact O-N 3.05Å; F544-K546 VanDerWaalsContact O-N 3.1Å
547	S	37.1	Very low	38.5	Very low	109 Å²	109	135.1 Å²	135.1	76%	0.762	75%	0.748	S	S	*	*			trans	45.5	136	154.4	58.1	0	0	0	0	120
548	C	32.6	Very low	37.8	Very low	100 Å²	100	135.5 Å²	135.5	68%	0.676	75%	0.745	S	S	*	*			cis	-177	154.2	-14.1	46.5	0	0	0	0	106.4
549	D	31.7	Very low	37	Very low	160 Å²	160	138.3 Å²	138.3	86%	0.856	76%	0.755	S	S	*	*			trans	48.3	74.1	153	-43.9	-24.5	0	0	0	118.7
550	D	40.1	Very low	36.8	Very low	159 Å²	159	144.6 Å²	144.6	85%	0.85	78%	0.775	S	S	*	*			trans	-153.5	100.8	151.4	-154.3	-2.2	0	0	0	112.5
551	D	36	Very low	37	Very low	155 Å²	155	141.1 Å²	141.1	83%	0.829	76%	0.758	S	S	*	*			trans	-92.5	108	172.4	-86	-49.2	0	0	0	109.5
552	N	40.3	Very low	37.5	Very low	162 Å²	162	138 Å²	138	87%	0.866	75%	0.749	S	S	*	*			trans	166.3	54.3	148.5	-93.3	-63.2	0	0	0	115
553	N	35.3	Very low	38.8	Very low	123 Å²	123	138.3 Å²	138.3	66%	0.658	74%	0.741	S	S	*	*			trans	-150.5	94.2	167.2	-153.8	-9.5	0	0	0	116
554	L	37.4	Very low	40.7	Very low	155 Å²	155	134.4 Å²	134.4	81%	0.812	72%	0.718	S	S	*	*			trans	-133.4	9	-177.9	-81.2	174.2	0	0	0	115.7
555	N	36.9	Very low	43.3	Very low	153 Å²	153	125.2 Å²	125.2	82%	0.818	68%	0.678	S	S	*	*	S	Bend	trans	-117.9	-1.1	-171.9	-73.6	-40.9	0	0	0	116
556	E	37.5	Very low	46.1	Very low	147 Å²	147	120.3 Å²	120.3	69%	0.687	64%	0.637	S	S	*	*	S	Bend	trans	-103.3	-1.7	-178.6	-63.9	-173.4	156.7	0	0	113.9
557	S	37.7	Very low	48.4	Very low	89 Å²	89	113.6 Å²	113.6	62%	0.622	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-82.3	-10	179	51.2	0	0	0	0	114.7	E559	S557-E559 VanDerWaalsContact C-N 3.35Å; S557-E559 PolarHBondContact O-N 2.88Å
558	E	38.8	Very low	50.9	Low	124 Å²	124	108.5 Å²	108.5	58%	0.579	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-83.9	5.8	-179.9	-72.7	-125.5	113.1	0	0	115.1	R533 V561	R533-E558 IonicContact CZ-OE1 2.82Å; R533-E558 IonicContact NH1-OE1 3.86Å; R533-E558 PolarHBondContact NH1-OE1 2.99Å; R533-E558 IonicContact NH2-OE1 2.83Å; R533-E558 PolarHBondContact NH2-OE1 2.64Å; E558-V561 HydrophobicContact CB-CG2 4.47Å; E558-V561 WeakPolarHBondContact O-CG2 3.4Å
559	E	38.2	Very low	53.8	Low	195 Å²	195	103.9 Å²	103.9	91%	0.911	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-96	-9.9	168.7	-67.3	-157.8	136	0	0	114.1	S557	S557-E559 VanDerWaalsContact C-N 3.35Å; S557-E559 PolarHBondContact O-N 2.88Å
560	K	37.1	Very low	56.8	Low	201 Å²	201	97 Å²	97	87%	0.874	51%	0.51	S	S	*	.	S	Bend	trans	-99.2	40	166.6	-71.7	-170.1	178.5	-179.4	0	112.4	G562	K560-G562 PolarHBondContact O-N 2.78Å
561	V	41.2	Very low	59.4	Low	63 Å²	63	92.7 Å²	92.7	38%	0.382	48%	0.481	S	S	.	.			trans	-67.9	106.2	178.5	171.9	0	0	0	0	110.2	E558	E558-V561 HydrophobicContact CB-CG2 4.47Å; E558-V561 WeakPolarHBondContact O-CG2 3.4Å
562	G	49.5	Very low	62.2	Low	49 Å²	49	85.4 Å²	85.4	51%	0.505	44%	0.442	S	S	.	.			trans	-49.3	141.9	-178.9	0	0	0	0	0	113.4	K560 R564	K560-G562 PolarHBondContact O-N 2.78Å; G562-R564 PolarHBondContact O-N 3.49Å; G562-R564 VanDerWaalsContact O-N 3.11Å
563	E	63.4	Low	64.6	Low	136 Å²	136	78.4 Å²	78.4	64%	0.636	41%	0.409	S	S	*	.			trans	-45	112.2	-165.4	-59.6	-172.5	140.6	0	0	113.5	L565 K595	E563-L565 PolarHBondContact O-N 3.22Å; E563-K595 WeakPolarHBondContact OE2-CE 3.46Å; E563-K595 IonicContact OE2-NZ 3.33Å
564	R	81.1	Confident	67.3	Low	55 Å²	55	73.4 Å²	73.4	21%	0.208	38%	0.384	C	S	.	.			trans	-68.6	104.3	176.9	179.5	-173.3	-80.2	-92.9	5	109.7	S525 N526 G562 L566 C567	S525-R564 WeakPolarHBondContact OG-CD 3.45Å; S525-R564 WeakPolarHBondContact OG-CG 3.22Å; S525-R564 PolarHBondContact OG-NH1 3.13Å; N526-R564 PolarHBondContact OD1-NH1 2.84Å; N526-R564 PolarHBondContact OD1-NH2 2.8Å; G562-R564 PolarHBondContact O-N 3.49Å; G562-R564 VanDerWaalsContact O-N 3.11Å; R564-L566 VanDerWaalsContact C-N 3.3Å; R564-L566 WeakPolarHBondContact CD-O 3.33Å; R564-L566 WeakPolarHBondContact CG-O 3.43Å; R564-L566 PolarHBondContact O-N 3.07Å; R564-L566 VanDerWaalsContact O-N 3.15Å; R564-C567 PolarHBondContact O-SG 2.85Å
565	L	86.5	Confident	70	Confident	7 Å²	7	67.1 Å²	67.1	4%	0.037	35%	0.351	C	S	.	.	S	Bend	trans	-47.5	-46.2	-177.7	176.6	54.9	0	0	0	114.5	I528 E563 C593 S594 L601 I703	I528-L565 HydrophobicContact CG2-CB 4.39Å; I528-L565 HydrophobicContact CG2-CD2 4.32Å; E563-L565 PolarHBondContact O-N 3.22Å; L565-C593 CarbonylContact O-C 3.55Å; L565-C593 WeakPolarHBondContact O-CA 3.46Å; L565-S594 PolarHBondContact O-N 3.13Å; L565-L601 HydrophobicContact CD2-CD1 4.08Å; L565-I703 HydrophobicContact CD1-CD1 3.33Å; L565-I703 HydrophobicContact CD1-CG1 4.41Å; L565-I703 HydrophobicContact CD2-CD1 3.86Å; L565-I703 HydrophobicContact CD2-CG1 4.35Å; L565-I703 HydrophobicContact CG-CD1 4.24Å
566	L	90.8	Very high	72.6	Confident	1 Å²	1	60 Å²	60	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	94.5	176	-59.2	-176.9	0	0	0	109.1	V524 S525 I528 R564 L591 C593 L601 V605	V524-L566 HydrophobicContact CG1-CD1 4.03Å; S525-L566 PolarHBondContact OG-O 2.81Å; I528-L566 HydrophobicContact CD1-CD1 3.78Å; I528-L566 HydrophobicContact CD1-CG 4.11Å; R564-L566 VanDerWaalsContact C-N 3.3Å; R564-L566 WeakPolarHBondContact CD-O 3.33Å; R564-L566 WeakPolarHBondContact CG-O 3.43Å; R564-L566 PolarHBondContact O-N 3.07Å; R564-L566 VanDerWaalsContact O-N 3.15Å; L566-L591 HydrophobicContact CB-CD1 4.27Å; L566-L591 HydrophobicContact CD1-CD1 4.47Å; L566-L591 HydrophobicContact CD2-CD1 4.17Å; L566-L591 HydrophobicContact CD2-CD2 4.3Å; L566-L591 HydrophobicContact CD2-CG 4.29Å; L566-C593 VanDerWaalsContact CD2-SG 3.57Å; L566-L601 HydrophobicContact CD2-CD2 4.39Å; L566-V605 HydrophobicContact CD1-CG2 4.22Å
567	C	87.4	Confident	75.1	Confident	43 Å²	43	53.7 Å²	53.7	29%	0.291	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-27.2	-170.3	-62.4	0	0	0	0	115.1	S143 Y145 R564 I592 S594	S143-C567 PolarHBondContact OG-O 3.12Å; Y145-C567 WeakPolarHBondContact CB-O 3.38Å; R564-C567 PolarHBondContact O-SG 2.85Å; C567-I592 HydrophobicContact CB-CG2 4.33Å; C567-I592 WeakPolarHBondContact CB-O 3.5Å; C567-I592 PolarHBondContact N-O 2.97Å; C567-S594 VanDerWaalsContact SG-CB 3.59Å; C567-S594 PolarHBondContact SG-N 3.16Å; C567-S594 VanDerWaalsContact SG-N 3.39Å
568	G	90	Very high	77.7	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	148.8	-165.9	0	0	0	0	0	113.5	L591 I592	G568-L591 WeakPolarHBondContact O-CA 3.42Å; G568-L591 WeakPolarHBondContact O-CD1 3.47Å; G568-I592 PolarHBondContact N-O 3.09Å; G568-I592 PolarHBondContact O-N 2.94Å
569	V	94	Very high	80.3	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.018	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	127.6	162.1	173.5	0	0	0	0	105.8	Y145 E518 L521 V590 L591	Y145-V569 HydrophobicContact CE2-CB 4.17Å; Y145-V569 HydrophobicContact CE2-CG2 3.86Å; Y145-V569 WeakPolarHBondContact OH-CG2 3.17Å; E518-V569 HydrophobicContact CG-CG1 4.05Å; L521-V569 HydrophobicContact CB-CG2 3.95Å; L521-V569 HydrophobicContact CD1-CG1 4.2Å; L521-V569 HydrophobicContact CD1-CG2 3.59Å; L521-V569 HydrophobicContact CG-CG2 4.41Å; V569-V590 VanDerWaalsContact CA-O 3.32Å; V569-V590 WeakPolarHBondContact CA-O 3.29Å; V569-L591 HydrophobicContact CG2-CD1 3.77Å
570	V	93.4	Very high	82.9	Confident	17 Å²	17	38.5 Å²	38.5	10%	0.103	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	140.6	-177.4	-171.4	0	0	0	0	110	P141 L589 V590 I592 L721	P141-V570 HydrophobicContact CB-CG1 4.01Å; V570-L589 WeakPolarHBondContact O-CA 3.39Å; V570-V590 PolarHBondContact N-O 3.25Å; V570-V590 PolarHBondContact O-N 3.43Å; V570-I592 HydrophobicContact CG2-CD1 3.94Å; V570-L721 HydrophobicContact CB-CD1 3.58Å; V570-L721 HydrophobicContact CG1-CD1 3.5Å; V570-L721 VanDerWaalsContact CG1-CD1 3.5Å; V570-L721 HydrophobicContact CG2-CD1 3.89Å
571	R	95.1	Very high	85.6	Confident	68 Å²	68	29 Å²	29	26%	0.257	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	127.1	177.2	-58.3	173	-172.4	-174	-0.6	109.4	V514 E518 L575 G576 L589	V514-R571 HydrophobicContact CG1-CG 4.36Å; E518-R571 IonicContact OE1-CZ 2.75Å; E518-R571 IonicContact OE1-NE 2.83Å; E518-R571 PolarHBondContact OE1-NE 3.04Å; E518-R571 IonicContact OE1-NH2 3.27Å; E518-R571 PolarHBondContact OE1-NH2 3.02Å; E518-R571 IonicContact OE2-CZ 2.76Å; E518-R571 IonicContact OE2-NE 3.27Å; E518-R571 IonicContact OE2-NH2 3.29Å; E518-R571 PolarHBondContact OE2-NH2 3.2Å; R571-L575 HydrophobicContact CB-CD2 3.96Å; R571-L575 HydrophobicContact CB-CG 4.13Å; R571-L575 HydrophobicContact CG-CD2 3.9Å; R571-L575 HydrophobicContact CG-CG 4.43Å; R571-G576 VanDerWaalsContact O-CA 3.26Å; R571-G576 WeakPolarHBondContact O-CA 3.42Å; R571-L589 HydrophobicContact CB-CD2 4.24Å; R571-L589 HydrophobicContact CG-CD2 3.81Å
572	V	93.7	Very high	88.1	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	-174.3	-178.1	-57.4	0	0	0	0	111.5	L575 G576 E588 V590 A720 L721 A724	V572-L575 PolarHBondContact O-N 3.36Å; V572-G576 PolarHBondContact O-N 3.24Å; V572-E588 HydrophobicContact CG2-CB 3.78Å; V572-E588 WeakPolarHBondContact CG2-O 3.37Å; V572-E588 PolarHBondContact N-O 2.96Å; V572-V590 HydrophobicContact CB-CG2 4.36Å; V572-V590 HydrophobicContact CG1-CB 4.26Å; V572-V590 HydrophobicContact CG1-CG2 3.7Å; V572-V590 HydrophobicContact CG2-CG2 3.75Å; V572-A720 HydrophobicContact CB-CB 4.36Å; V572-A720 HydrophobicContact CG2-CB 4.32Å; V572-L721 HydrophobicContact CG1-CB 4.41Å; V572-L721 HydrophobicContact CG1-CD1 4.25Å; V572-A724 HydrophobicContact CG1-CB 4.48Å
573	G	91.7	Very high	90	Very high	16 Å²	16	31.6 Å²	31.6	17%	0.165	16%	0.164	C	C	.	.	H	α-helix	trans	58.3	-147	179.8	0	0	0	0	0	112.5	L575 G576 K577	G573-L575 PolarHBondContact O-N 2.83Å; G573-G576 PolarHBondContact O-N 3.13Å; G573-K577 WeakPolarHBondContact O-CB 3.17Å; G573-K577 WeakPolarHBondContact O-CG 3.31Å; G573-K577 PolarHBondContact O-N 3.25Å
574	A	92.8	Very high	91.4	Very high	18 Å²	18	26.3 Å²	26.3	15%	0.149	14%	0.139	C	C	.	.	H	α-helix	trans	-60.1	-29.7	-179.8	0	0	0	0	0	113.5	N578 L579 L580	A574-N578 CarbonylContact O-C 3.59Å; A574-N578 PolarHBondContact O-N 3.3Å; A574-L579 PolarHBondContact O-N 3.1Å; A574-L580 HydrophobicContact CB-CD2 3.84Å; A574-L580 HydrophobicContact CB-CG 4.23Å; A574-L580 PolarHBondContact O-N 2.85Å
575	L	93.6	Very high	92	Very high	22 Å²	22	26.4 Å²	26.4	12%	0.115	14%	0.142	C	C	.	.	H	α-helix	trans	-70.9	-53.2	174.4	178.2	68.6	0	0	0	111.1	M510 V514 R571 V572 G573 K577 N578 L580 A587 L589	M510-L575 HydrophobicContact CG-CD1 4.14Å; V514-L575 HydrophobicContact CG1-CD2 4.28Å; V514-L575 HydrophobicContact CG2-CD2 3.7Å; R571-L575 HydrophobicContact CB-CD2 3.96Å; R571-L575 HydrophobicContact CB-CG 4.13Å; R571-L575 HydrophobicContact CG-CD2 3.9Å; R571-L575 HydrophobicContact CG-CG 4.43Å; V572-L575 PolarHBondContact O-N 3.36Å; G573-L575 PolarHBondContact O-N 2.83Å; L575-K577 VanDerWaalsContact C-N 3.26Å; L575-K577 PolarHBondContact O-N 3.39Å; L575-N578 PolarHBondContact O-N 2.9Å; L575-L580 HydrophobicContact CB-CD1 4.37Å; L575-L580 HydrophobicContact CD1-CD1 3.87Å; L575-A587 HydrophobicContact CB-CB 3.84Å; L575-A587 HydrophobicContact CD2-CB 3.85Å; L575-A587 HydrophobicContact CG-CB 4.35Å; L575-L589 HydrophobicContact CD2-CD2 4.15Å
576	G	90.5	Very high	92.4	Very high	3 Å²	3	27.3 Å²	27.3	3%	0.031	15%	0.149	C	C	.	.	H	α-helix	trans	-61.5	-32	-179.4	0	0	0	0	0	113.9	R571 V572 G573 Q728	R571-G576 VanDerWaalsContact O-CA 3.26Å; R571-G576 WeakPolarHBondContact O-CA 3.42Å; V572-G576 PolarHBondContact O-N 3.24Å; G573-G576 PolarHBondContact O-N 3.13Å; G576-Q728 PolarHBondContact O-NE2 3.36Å
577	K	91.3	Very high	92.6	Very high	16 Å²	16	27.4 Å²	27.4	7%	0.07	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.8	175.7	-64.4	-173.9	-167.5	-177.9	0	114.5	G573 L575 L579 F727 E762	G573-K577 WeakPolarHBondContact O-CB 3.17Å; G573-K577 WeakPolarHBondContact O-CG 3.31Å; G573-K577 PolarHBondContact O-N 3.25Å; L575-K577 VanDerWaalsContact C-N 3.26Å; L575-K577 PolarHBondContact O-N 3.39Å; K577-L579 HydrophobicContact CB-CB 4.19Å; K577-L579 HydrophobicContact CB-CD1 4.01Å; K577-L579 HydrophobicContact CB-CG 3.92Å; K577-L579 HydrophobicContact CD-CD1 4Å; K577-L579 PolarHBondContact O-N 2.77Å; K577-F727 HydrophobicContact CB-CD1 3.51Å; K577-F727 HydrophobicContact CB-CE1 3.89Å; K577-F727 HydrophobicContact CB-CG 4.26Å; K577-F727 HydrophobicContact CD-CB 4.23Å; K577-F727 HydrophobicContact CD-CD1 4.06Å; K577-F727 HydrophobicContact CD-CD2 4.5Å; K577-F727 HydrophobicContact CD-CG 4Å; K577-F727 HydrophobicContact CG-CB 4Å; K577-F727 HydrophobicContact CG-CD1 3.74Å; K577-F727 HydrophobicContact CG-CE1 4.48Å; K577-F727 HydrophobicContact CG-CG 3.98Å; K577-F727 WeakPolarHBondContact O-CE1 3.4Å; K577-E762 WeakPolarHBondContact CD-OE1 3.47Å; K577-E762 WeakPolarHBondContact CE-OE2 3.41Å; K577-E762 IonicContact NZ-OE1 2.82Å; K577-E762 PolarHBondContact NZ-OE1 2.92Å; K577-E762 IonicContact NZ-OE2 3.43Å; K577-E762 PolarHBondContact NZ-OE2 3.24Å
578	N	91	Very high	93	Very high	65 Å²	65	27.5 Å²	27.5	35%	0.348	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	28.8	-167.2	-65.2	-57.5	0	0	0	113.9	A574 L575 L737 R741	A574-N578 CarbonylContact O-C 3.59Å; A574-N578 PolarHBondContact O-N 3.3Å; L575-N578 PolarHBondContact O-N 2.9Å; N578-L737 HydrophobicContact CB-CD1 4.45Å; N578-R741 PolarHBondContact O-NH2 2.84Å
579	L	93.6	Very high	93.3	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	15%	0.145	C	C	.	.			trans	-101.3	10.2	-176.9	-73.5	-178.1	0	0	0	115.3	A574 K577 L581 F727 L737 R741 R744 E762	A574-L579 PolarHBondContact O-N 3.1Å; K577-L579 HydrophobicContact CB-CB 4.19Å; K577-L579 HydrophobicContact CB-CD1 4.01Å; K577-L579 HydrophobicContact CB-CG 3.92Å; K577-L579 HydrophobicContact CD-CD1 4Å; K577-L579 PolarHBondContact O-N 2.77Å; L579-L581 PolarHBondContact O-N 3.03Å; L579-F727 HydrophobicContact CD1-CE1 3.81Å; L579-F727 HydrophobicContact CD1-CE2 4.36Å; L579-F727 HydrophobicContact CD1-CZ 3.68Å; L579-F727 HydrophobicContact CD2-CE1 4.27Å; L579-F727 HydrophobicContact CD2-CZ 4.21Å; L579-F727 HydrophobicContact CG-CE1 3.87Å; L579-F727 HydrophobicContact CG-CZ 4.09Å; L579-L737 HydrophobicContact CD2-CD1 3.81Å; L579-L737 HydrophobicContact CG-CD1 4.41Å; L579-R741 HydrophobicContact CD2-CB 4.06Å; L579-R744 PolarHBondContact O-NH1 3.07Å; L579-E762 VanDerWaalsContact CD1-OE1 3.29Å; L579-E762 WeakPolarHBondContact CD1-OE1 3.21Å
580	L	93.5	Very high	93.4	Very high	23 Å²	23	27.3 Å²	27.3	12%	0.12	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-51.9	136	171.3	-71.5	170.7	0	0	0	111.6	P502 M510 A574 L575 E584	P502-L580 WeakPolarHBondContact CD-O 3.41Å; P502-L580 HydrophobicContact CG-CB 4.03Å; M510-L580 HydrophobicContact CE-CD1 4.26Å; M510-L580 HydrophobicContact CG-CD1 4.12Å; A574-L580 HydrophobicContact CB-CD2 3.84Å; A574-L580 HydrophobicContact CB-CG 4.23Å; A574-L580 PolarHBondContact O-N 2.85Å; L575-L580 HydrophobicContact CB-CD1 4.37Å; L575-L580 HydrophobicContact CD1-CD1 3.87Å; L580-E584 HydrophobicContact CD2-CB 4.32Å
581	L	94.4	Very high	93.5	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-102.8	157.2	175.1	-60.7	171.9	0	0	0	110.8	L500 L579 G583 E584 R741 R744 D745	L500-L581 HydrophobicContact CB-CD2 3.99Å; L500-L581 HydrophobicContact CD1-CD2 4.29Å; L500-L581 HydrophobicContact CD2-CD2 4.45Å; L500-L581 HydrophobicContact CG-CD2 4.47Å; L500-L581 CarbonylContact O-C 3.34Å; L500-L581 WeakPolarHBondContact O-CA 3.26Å; L579-L581 PolarHBondContact O-N 3.03Å; L581-G583 PolarHBondContact O-N 3.49Å; L581-E584 HydrophobicContact CB-CG 4.09Å; L581-E584 PolarHBondContact N-OE2 2.93Å; L581-E584 WeakPolarHBondContact O-CB 3.44Å; L581-E584 PolarHBondContact O-N 3.19Å; L581-R741 HydrophobicContact CD2-CG 3.57Å; L581-R744 HydrophobicContact CD1-CG 4.31Å; L581-D745 HydrophobicContact CD1-CB 4.11Å; L581-D745 HydrophobicContact CD2-CB 4.32Å
582	R	92.4	Very high	93.4	Very high	131 Å²	131	24 Å²	24	49%	0.494	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	132.1	170.8	-166.9	173.8	178	176.6	-0.3	110.9	L500 T503 E584	L500-R582 PolarHBondContact O-N 3.11Å; T503-R582 HydrophobicContact CG2-CG 4.47Å; R582-E584 VanDerWaalsContact C-N 3.35Å
583	G	90.9	Very high	93.3	Very high	36 Å²	36	23.9 Å²	23.9	37%	0.371	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	-6.5	-173.7	0	0	0	0	0	115.5	E506 L581 H585	E506-G583 WeakPolarHBondContact OE1-CA 3.38Å; E506-G583 PolarHBondContact OE1-N 3.5Å; L581-G583 PolarHBondContact O-N 3.49Å; G583-H585 PolarHBondContact O-N 3.21Å
584	E	92	Very high	93.1	Very high	24 Å²	24	24.5 Å²	24.5	11%	0.112	13%	0.133	C	C	.	.			trans	-87.4	100.8	174.4	-70	-175.6	141.5	0	0	111.3	L580 L581 R582 R744 Q748	L580-E584 HydrophobicContact CD2-CB 4.32Å; L581-E584 HydrophobicContact CB-CG 4.09Å; L581-E584 PolarHBondContact N-OE2 2.93Å; L581-E584 WeakPolarHBondContact O-CB 3.44Å; L581-E584 PolarHBondContact O-N 3.19Å; R582-E584 VanDerWaalsContact C-N 3.35Å; E584-R744 VanDerWaalsContact CD-NH1 3.25Å; E584-R744 IonicContact OE1-CZ 3.35Å; E584-R744 VanDerWaalsContact OE1-CZ 3.29Å; E584-R744 IonicContact OE1-NH1 3.02Å; E584-R744 PolarHBondContact OE1-NH1 3.38Å; E584-R744 IonicContact OE1-NH2 2.72Å; E584-R744 PolarHBondContact OE1-NH2 3.06Å; E584-R744 IonicContact OE2-CZ 2.7Å; E584-R744 IonicContact OE2-NH1 2.7Å; E584-R744 PolarHBondContact OE2-NH1 3.19Å; E584-R744 IonicContact OE2-NH2 3.16Å; E584-Q748 PolarHBondContact OE1-NE2 3.36Å; E584-Q748 VanDerWaalsContact OE1-NE2 3.07Å
585	H	93.7	Very high	92.9	Very high	57 Å²	57	27.8 Å²	27.8	26%	0.264	14%	0.143	S	C	.	.			trans	-98.2	8.8	179.4	-51.3	144.6	0	0	0	113.3	E506 G583 T669 I670 T671	E506-H585 IonicContact OE1-CD2 2.74Å; E506-H585 IonicContact OE1-CE1 3.05Å; E506-H585 IonicContact OE1-NE2 2.77Å; E506-H585 PolarHBondContact OE1-NE2 2.98Å; G583-H585 PolarHBondContact O-N 3.21Å; H585-T669 VanDerWaalsContact CB-O 3.29Å; H585-T669 WeakPolarHBondContact CB-O 3.09Å; H585-I670 HydrophobicContact CB-CD1 4.03Å; H585-I670 CarbonylContact O-C 3.54Å; H585-I670 WeakPolarHBondContact O-CA 3.33Å; H585-T671 PolarHBondContact O-N 3.01Å
586	S	94.7	Very high	92.6	Very high	27 Å²	27	30.6 Å²	30.6	19%	0.189	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	134.2	174.8	71.1	0	0	0	0	112.6	T671 R948	S586-T671 CarbonylContact C-O 3.59Å; S586-T671 VanDerWaalsContact CA-O 3.26Å; S586-T671 WeakPolarHBondContact CA-O 3.41Å; S586-R948 PolarHBondContact OG-NH1 2.86Å
587	A	95	Very high	92.6	Very high	3 Å²	3	30.5 Å²	30.5	3%	0.025	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	161.5	172.1	0	0	0	0	0	112.7	M510 L575 T671 L672 V673	M510-A587 HydrophobicContact CE-CB 3.86Å; M510-A587 HydrophobicContact SD-CB 3.55Å; M510-A587 VanDerWaalsContact SD-CB 3.55Å; L575-A587 HydrophobicContact CB-CB 3.84Å; L575-A587 HydrophobicContact CD2-CB 3.85Å; L575-A587 HydrophobicContact CG-CB 4.35Å; A587-T671 PolarHBondContact N-O 2.92Å; A587-L672 HydrophobicContact CB-CD2 3.87Å; A587-L672 WeakPolarHBondContact O-CA 3.33Å; A587-V673 PolarHBondContact O-N 2.64Å
588	E	95.5	Very high	92.7	Very high	44 Å²	44	29.9 Å²	29.9	21%	0.206	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	134.8	-170.2	-72.2	153.6	-141.5	0	0	110.9	V572 V673 R948	V572-E588 HydrophobicContact CG2-CB 3.78Å; V572-E588 WeakPolarHBondContact CG2-O 3.37Å; V572-E588 PolarHBondContact N-O 2.96Å; E588-V673 CarbonylContact C-O 3.58Å; E588-V673 WeakPolarHBondContact CA-O 3.28Å; E588-V673 HydrophobicContact CG-CB 4.21Å; E588-R948 IonicContact OE1-CZ 3.53Å; E588-R948 VanDerWaalsContact OE1-CZ 3.27Å; E588-R948 IonicContact OE1-NH1 3.39Å; E588-R948 PolarHBondContact OE1-NH1 3.36Å; E588-R948 IonicContact OE1-NH2 2.77Å; E588-R948 PolarHBondContact OE1-NH2 3.34Å
589	L	96.5	Very high	92.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	144.7	-179.9	-57.5	179.9	0	0	0	109.5	V514 C517 V570 R571 L575 V673 I674 N675	V514-L589 HydrophobicContact CG1-CD2 4.33Å; C517-L589 HydrophobicContact CB-CD1 4.24Å; V570-L589 WeakPolarHBondContact O-CA 3.39Å; R571-L589 HydrophobicContact CB-CD2 4.24Å; R571-L589 HydrophobicContact CG-CD2 3.81Å; L575-L589 HydrophobicContact CD2-CD2 4.15Å; L589-V673 PolarHBondContact N-O 2.96Å; L589-I674 HydrophobicContact CB-CG1 4.3Å; L589-I674 HydrophobicContact CD1-CG1 4.26Å; L589-I674 WeakPolarHBondContact O-CA 3.47Å; L589-N675 PolarHBondContact O-N 3.07Å
590	V	95.9	Very high	92.6	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123.3	173.5	175.2	0	0	0	0	109.8	V569 V570 V572 I592 N675 T677	V569-V590 VanDerWaalsContact CA-O 3.32Å; V569-V590 WeakPolarHBondContact CA-O 3.29Å; V570-V590 PolarHBondContact N-O 3.25Å; V570-V590 PolarHBondContact O-N 3.43Å; V572-V590 HydrophobicContact CB-CG2 4.36Å; V572-V590 HydrophobicContact CG1-CB 4.26Å; V572-V590 HydrophobicContact CG1-CG2 3.7Å; V572-V590 HydrophobicContact CG2-CG2 3.75Å; V590-I592 HydrophobicContact CG1-CG1 4.12Å; V590-N675 WeakPolarHBondContact CA-O 3.41Å; V590-T677 HydrophobicContact CG1-CG2 3.49Å; V590-T677 VanDerWaalsContact CG1-CG2 3.49Å
591	L	95.6	Very high	92.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	109.3	174.3	175.2	56.1	0	0	0	108.9	L521 L566 G568 V569 V605 I674 N675 L676 T677	L521-L591 HydrophobicContact CD2-CD2 4.08Å; L566-L591 HydrophobicContact CB-CD1 4.27Å; L566-L591 HydrophobicContact CD1-CD1 4.47Å; L566-L591 HydrophobicContact CD2-CD1 4.17Å; L566-L591 HydrophobicContact CD2-CD2 4.3Å; L566-L591 HydrophobicContact CD2-CG 4.29Å; G568-L591 WeakPolarHBondContact O-CA 3.42Å; G568-L591 WeakPolarHBondContact O-CD1 3.47Å; V569-L591 HydrophobicContact CG2-CD1 3.77Å; L591-V605 HydrophobicContact CD2-CG1 4.06Å; L591-V605 HydrophobicContact CD2-CG2 4.43Å; L591-I674 HydrophobicContact CB-CG2 3.93Å; L591-N675 PolarHBondContact N-O 3.04Å; L591-L676 HydrophobicContact CB-CD1 4.48Å; L591-L676 HydrophobicContact CB-CG 4.25Å; L591-L676 HydrophobicContact CD2-CD1 4.03Å; L591-L676 HydrophobicContact CD2-CD2 4.35Å; L591-L676 HydrophobicContact CD2-CG 3.91Å; L591-L676 HydrophobicContact CG-CG 4.2Å; L591-L676 WeakPolarHBondContact O-CA 3.29Å; L591-T677 PolarHBondContact O-N 2.75Å
592	I	94.2	Very high	92.5	Very high	14 Å²	14	31.4 Å²	31.4	7%	0.072	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	123.3	-174.8	-52.8	177	0	0	0	109.2	C567 G568 V570 V590 P679 L721	C567-I592 HydrophobicContact CB-CG2 4.33Å; C567-I592 WeakPolarHBondContact CB-O 3.5Å; C567-I592 PolarHBondContact N-O 2.97Å; G568-I592 PolarHBondContact N-O 3.09Å; G568-I592 PolarHBondContact O-N 2.94Å; V570-I592 HydrophobicContact CG2-CD1 3.94Å; V590-I592 HydrophobicContact CG1-CG1 4.12Å; I592-P679 HydrophobicContact CG2-CG 4.19Å; I592-L721 HydrophobicContact CD1-CD2 3.83Å
593	C	91.8	Very high	92.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	147.1	178.9	-56	0	0	0	0	111.7	L565 L566 K595 P597 T677 S678	L565-C593 CarbonylContact O-C 3.55Å; L565-C593 WeakPolarHBondContact O-CA 3.46Å; L566-C593 VanDerWaalsContact CD2-SG 3.57Å; C593-K595 VanDerWaalsContact CB-O 3.32Å; C593-K595 WeakPolarHBondContact CB-O 3.4Å; C593-P597 HydrophobicContact CB-CB 4.49Å; C593-T677 PolarHBondContact N-O 3.05Å; C593-S678 WeakPolarHBondContact O-CA 3.05Å; C593-S678 WeakPolarHBondContact O-CB 3.41Å; C593-S678 PolarHBondContact O-OG 3.16Å
594	S	87.4	Confident	92.6	Very high	29 Å²	29	28 Å²	28	20%	0.203	14%	0.136	C	C	.	.	S	Bend	trans	-67.3	-38.2	176.8	61.7	0	0	0	0	112.4	L565 C567 S678 V680	L565-S594 PolarHBondContact O-N 3.13Å; C567-S594 VanDerWaalsContact SG-CB 3.59Å; C567-S594 PolarHBondContact SG-N 3.16Å; C567-S594 VanDerWaalsContact SG-N 3.39Å; S594-S678 PolarHBondContact O-OG 3.28Å; S594-V680 VanDerWaalsContact O-CG2 3.29Å; S594-V680 WeakPolarHBondContact O-CG2 3.5Å
595	K	86.9	Confident	92.6	Very high	86 Å²	86	26.8 Å²	26.8	37%	0.374	13%	0.13	S	C	.	.	S	Bend	trans	-113.7	165.7	176.9	-54.7	-167.5	179.4	-165	0	110.7	E563 C593 S678 I703	E563-K595 WeakPolarHBondContact OE2-CE 3.46Å; E563-K595 IonicContact OE2-NZ 3.33Å; C593-K595 VanDerWaalsContact CB-O 3.32Å; C593-K595 WeakPolarHBondContact CB-O 3.4Å; K595-S678 VanDerWaalsContact O-CB 3.31Å; K595-S678 WeakPolarHBondContact O-CB 3.4Å; K595-S678 PolarHBondContact O-OG 2.71Å; K595-I703 HydrophobicContact CB-CD1 4.12Å; K595-I703 HydrophobicContact CB-CG2 4.36Å; K595-I703 HydrophobicContact CD-CD1 4.48Å
596	W	88.3	Confident	92.7	Very high	82 Å²	82	24.8 Å²	24.8	31%	0.311	12%	0.123	S	C	.	.			trans	-53.5	126.5	-178.9	-157.7	-60.4	0	0	0	111	V681 P708 I709 K711	W596-V681 HydrophobicContact CD2-CG2 3.67Å; W596-V681 HydrophobicContact CE3-CB 4.44Å; W596-V681 HydrophobicContact CE3-CG2 3.85Å; W596-V681 HydrophobicContact CG-CG2 4.14Å; W596-V681 HydrophobicContact CH2-CB 4.35Å; W596-V681 HydrophobicContact CH2-CG1 3.76Å; W596-V681 HydrophobicContact CH2-CG2 4.33Å; W596-V681 HydrophobicContact CZ2-CG1 3.82Å; W596-V681 HydrophobicContact CZ2-CG2 4.14Å; W596-V681 HydrophobicContact CZ3-CB 4.31Å; W596-V681 HydrophobicContact CZ3-CG1 4.2Å; W596-V681 HydrophobicContact CZ3-CG2 4.18Å; W596-P708 HydrophobicContact CG-CB 4.41Å; W596-I709 PolarHBondContact NE1-O 2.75Å; W596-K711 HydrophobicContact CH2-CB 4.34Å; W596-K711 HydrophobicContact CH2-CD 4.23Å; W596-K711 HydrophobicContact CH2-CG 4.22Å; W596-K711 HydrophobicContact CZ2-CB 4.07Å; W596-K711 HydrophobicContact CZ2-CG 4.37Å
597	P	91	Very high	92.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.137	C	C	.	.			trans	-80.9	152.6	-175	34.5	-37.1	0	0	0	111.9	C593 L601 L676 I709	C593-P597 HydrophobicContact CB-CB 4.49Å; P597-L601 HydrophobicContact CB-CD2 4.28Å; P597-L676 HydrophobicContact CB-CB 3.91Å; P597-L676 HydrophobicContact CB-CD2 4.17Å; P597-L676 HydrophobicContact CG-CB 4.19Å; P597-I709 HydrophobicContact CB-CD1 3.74Å; P597-I709 HydrophobicContact CG-CD1 3.82Å; P597-I709 PolarHBondContact O-N 3.44Å
598	T	92	Very high	92.5	Very high	4 Å²	4	28.1 Å²	28.1	3%	0.025	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-125.2	168.1	-170.7	60.9	0	0	0	0	113.3	E600 L601 T602 L702 I703 H707	T598-E600 WeakPolarHBondContact CB-OE2 3.42Å; T598-E600 PolarHBondContact O-N 2.82Å; T598-L601 WeakPolarHBondContact OG1-CB 3.15Å; T598-L601 PolarHBondContact OG1-N 2.84Å; T598-T602 WeakPolarHBondContact O-CB 3.34Å; T598-T602 PolarHBondContact O-N 3.39Å; T598-T602 PolarHBondContact O-OG1 3.02Å; T598-L702 PolarHBondContact OG1-O 3.42Å; T598-I703 HydrophobicContact CG2-CG2 4.41Å; T598-H707 CarbonylContact C-O 3.6Å; T598-H707 WeakPolarHBondContact CA-O 3.49Å; T598-H707 VanDerWaalsContact CB-O 3.25Å; T598-H707 WeakPolarHBondContact CB-O 3.45Å
599	K	92.1	Very high	92.4	Very high	63 Å²	63	26 Å²	26	27%	0.274	13%	0.133	S	C	.	.	H	α-helix	trans	-60.8	-37.1	172.7	-56.5	-175	-168	163.5	0	111.5	T602 S603 P628 T629 H707	K599-T602 PolarHBondContact O-N 2.79Å; K599-S603 WeakPolarHBondContact O-CB 3.26Å; K599-S603 PolarHBondContact O-N 3.04Å; K599-S603 PolarHBondContact O-OG 3.15Å; K599-P628 WeakPolarHBondContact CA-O 3.31Å; K599-P628 HydrophobicContact CB-CB 4.12Å; K599-P628 WeakPolarHBondContact CG-O 3.27Å; K599-P628 WeakPolarHBondContact O-CB 3.43Å; K599-T629 HydrophobicContact CD-CG2 4.26Å; K599-H707 HydrophobicContact CB-CB 4.41Å; K599-H707 HydrophobicContact CD-CB 3.62Å; K599-H707 HydrophobicContact CG-CB 3.85Å; K599-H707 PolarHBondContact N-O 2.82Å
600	E	91.1	Very high	92.2	Very high	58 Å²	58	27.7 Å²	27.7	27%	0.271	14%	0.143	S	C	.	.	H	α-helix	trans	-73.9	-43.6	-176.8	-64.2	65.8	-146.4	0	0	110.6	T598 T602 S603 Y604 G706 H707	T598-E600 WeakPolarHBondContact CB-OE2 3.42Å; T598-E600 PolarHBondContact O-N 2.82Å; E600-T602 VanDerWaalsContact C-N 3.34Å; E600-S603 PolarHBondContact O-N 2.76Å; E600-Y604 VanDerWaalsContact O-CB 3.31Å; E600-Y604 WeakPolarHBondContact O-CB 3.29Å; E600-Y604 PolarHBondContact O-N 3.03Å; E600-G706 VanDerWaalsContact OE2-C 3.32Å; E600-G706 WeakPolarHBondContact OE2-CA 3.25Å; E600-H707 IonicContact OE1-CD2 2.87Å; E600-H707 PolarHBondContact OE1-CD2 3.46Å; E600-H707 PolarHBondContact OE2-N 3.39Å
601	L	91.9	Very high	92	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.9	-43.2	170.8	-178.2	62.2	0	0	0	111.1	L565 L566 P597 T598 S603 Y604 V605 L676 L702	L565-L601 HydrophobicContact CD2-CD1 4.08Å; L566-L601 HydrophobicContact CD2-CD2 4.39Å; P597-L601 HydrophobicContact CB-CD2 4.28Å; T598-L601 WeakPolarHBondContact OG1-CB 3.15Å; T598-L601 PolarHBondContact OG1-N 2.84Å; L601-S603 PolarHBondContact O-N 3.35Å; L601-Y604 PolarHBondContact O-N 3.19Å; L601-V605 HydrophobicContact CD1-CG2 4.24Å; L601-V605 HydrophobicContact CG-CG2 4.48Å; L601-V605 WeakPolarHBondContact O-CB 3.42Å; L601-V605 VanDerWaalsContact O-CG2 3.27Å; L601-V605 WeakPolarHBondContact O-CG2 3.49Å; L601-V605 PolarHBondContact O-N 3.24Å; L601-L676 HydrophobicContact CD2-CD2 4.23Å; L601-L676 HydrophobicContact CG-CD2 4.15Å; L601-L702 HydrophobicContact CD1-CB 4.46Å; L601-L702 HydrophobicContact CD1-CD1 4.19Å
602	T	93	Very high	91.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.4	-45.1	176.9	-52.7	0	0	0	0	111.5	T598 K599 E600 V605 S606 P628 I633 L676	T598-T602 WeakPolarHBondContact O-CB 3.34Å; T598-T602 PolarHBondContact O-N 3.39Å; T598-T602 PolarHBondContact O-OG1 3.02Å; K599-T602 PolarHBondContact O-N 2.79Å; E600-T602 VanDerWaalsContact C-N 3.34Å; T602-V605 PolarHBondContact O-N 3.23Å; T602-S606 WeakPolarHBondContact O-CB 3.42Å; T602-S606 PolarHBondContact O-N 3.4Å; T602-P628 HydrophobicContact CG2-CB 4.45Å; T602-I633 HydrophobicContact CG2-CD1 3.99Å; T602-I633 HydrophobicContact CG2-CG1 3.62Å; T602-L676 HydrophobicContact CG2-CD1 4.37Å
603	S	92.7	Very high	91.7	Very high	48 Å²	48	35.8 Å²	35.8	34%	0.336	18%	0.18	S	C	.	.	H	α-helix	trans	-64.4	-40.6	177.7	-56.4	0	0	0	0	112.2	K599 E600 L601 T607 P628	K599-S603 WeakPolarHBondContact O-CB 3.26Å; K599-S603 PolarHBondContact O-N 3.04Å; K599-S603 PolarHBondContact O-OG 3.15Å; E600-S603 PolarHBondContact O-N 2.76Å; L601-S603 PolarHBondContact O-N 3.35Å; S603-T607 WeakPolarHBondContact O-CB 3.3Å; S603-T607 PolarHBondContact O-N 2.97Å; S603-T607 PolarHBondContact O-OG1 3.36Å; S603-P628 WeakPolarHBondContact OG-CB 3.36Å
604	Y	92.5	Very high	91.6	Very high	47 Å²	47	40.8 Å²	40.8	18%	0.184	20%	0.203	C	C	.	.	H	α-helix	trans	-65.3	-45.3	175.5	178.1	-90.4	0	0	0	112.2	V524 Y527 I528 E600 L601 T607 S608 L702	V524-Y604 HydrophobicContact CG1-CE1 4.27Å; Y527-Y604 VanDerWaalsContact CD1-OH 3.31Å; Y527-Y604 WeakPolarHBondContact CD1-OH 3.41Å; Y527-Y604 VanDerWaalsContact CE1-OH 3.32Å; Y527-Y604 WeakPolarHBondContact CE1-OH 3.4Å; I528-Y604 HydrophobicContact CD1-CD1 4.43Å; I528-Y604 HydrophobicContact CD1-CE1 3.88Å; I528-Y604 HydrophobicContact CG1-CE1 3.73Å; E600-Y604 VanDerWaalsContact O-CB 3.31Å; E600-Y604 WeakPolarHBondContact O-CB 3.29Å; E600-Y604 PolarHBondContact O-N 3.03Å; L601-Y604 PolarHBondContact O-N 3.19Å; Y604-T607 PolarHBondContact O-N 3.14Å; Y604-S608 VanDerWaalsContact O-CB 3.25Å; Y604-S608 WeakPolarHBondContact O-CB 3.47Å; Y604-S608 PolarHBondContact O-N 3.39Å; Y604-S608 PolarHBondContact O-OG 2.83Å; Y604-L702 HydrophobicContact CD1-CD1 4.07Å; Y604-L702 HydrophobicContact CD1-CD2 4.44Å; Y604-L702 HydrophobicContact CD2-CD1 4.47Å; Y604-L702 HydrophobicContact CD2-CD2 3.97Å; Y604-L702 HydrophobicContact CE1-CD1 4.25Å; Y604-L702 HydrophobicContact CG-CD1 4.18Å; Y604-L702 HydrophobicContact CG-CD2 3.78Å
605	V	93.9	Very high	91.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.3	-43.4	176.6	172.1	0	0	0	0	110.4	L521 V524 L566 L591 L601 T602 S608 I609 I633	L521-V605 HydrophobicContact CD2-CG1 3.65Å; V524-V605 HydrophobicContact CG1-CG2 4.26Å; L566-V605 HydrophobicContact CD1-CG2 4.22Å; L591-V605 HydrophobicContact CD2-CG1 4.06Å; L591-V605 HydrophobicContact CD2-CG2 4.43Å; L601-V605 HydrophobicContact CD1-CG2 4.24Å; L601-V605 HydrophobicContact CG-CG2 4.48Å; L601-V605 WeakPolarHBondContact O-CB 3.42Å; L601-V605 VanDerWaalsContact O-CG2 3.27Å; L601-V605 WeakPolarHBondContact O-CG2 3.49Å; L601-V605 PolarHBondContact O-N 3.24Å; T602-V605 PolarHBondContact O-N 3.23Å; V605-S608 PolarHBondContact O-N 3.01Å; V605-I609 WeakPolarHBondContact O-CB 3.41Å; V605-I609 WeakPolarHBondContact O-CG2 3.42Å; V605-I609 PolarHBondContact O-N 3.3Å; V605-I633 HydrophobicContact CB-CD1 3.94Å; V605-I633 HydrophobicContact CG1-CD1 3.65Å
606	S	94.2	Very high	91.8	Very high	15 Å²	15	43.2 Å²	43.2	11%	0.105	22%	0.224	C	C	.	.	H	α-helix	trans	-61.5	-45.7	176	175.9	0	0	0	0	112.9	T602 S608 T610 V624	T602-S606 WeakPolarHBondContact O-CB 3.42Å; T602-S606 PolarHBondContact O-N 3.4Å; S606-S608 VanDerWaalsContact C-N 3.28Å; S606-S608 PolarHBondContact O-N 2.66Å; S606-T610 PolarHBondContact O-N 2.76Å; S606-T610 PolarHBondContact O-OG1 3.33Å; S606-V624 WeakPolarHBondContact OG-CG1 3.46Å
607	T	93.4	Very high	91.7	Very high	81 Å²	81	40.7 Å²	40.7	50%	0.497	22%	0.216	S	C	.	.	H	α-helix	trans	-65.6	-33.5	177.5	-53.5	0	0	0	0	112	S603 Y604	S603-T607 WeakPolarHBondContact O-CB 3.3Å; S603-T607 PolarHBondContact O-N 2.97Å; S603-T607 PolarHBondContact O-OG1 3.36Å; Y604-T607 PolarHBondContact O-N 3.14Å
608	S	92.5	Very high	91.5	Very high	19 Å²	19	45.8 Å²	45.8	13%	0.133	25%	0.251	C	S	.	.	H	α-helix	trans	-82.2	-40.1	-178.2	-55.8	0	0	0	0	112.8	Y604 V605 S606 L612	Y604-S608 VanDerWaalsContact O-CB 3.25Å; Y604-S608 WeakPolarHBondContact O-CB 3.47Å; Y604-S608 PolarHBondContact O-N 3.39Å; Y604-S608 PolarHBondContact O-OG 2.83Å; V605-S608 PolarHBondContact O-N 3.01Å; S606-S608 VanDerWaalsContact C-N 3.28Å; S606-S608 PolarHBondContact O-N 2.66Å; S608-L612 WeakPolarHBondContact O-CD1 3.36Å; S608-L612 WeakPolarHBondContact O-CG 3.44Å; S608-L612 PolarHBondContact O-N 3.07Å
609	I	94.2	Very high	91.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65.2	-41.3	-177.9	-157	-175.5	0	0	0	110.8	L521 V605 K611 L612 M613 V624 I674	L521-I609 HydrophobicContact CD2-CD1 3.8Å; L521-I609 HydrophobicContact CD2-CG1 4.35Å; L521-I609 HydrophobicContact CG-CD1 3.84Å; V605-I609 WeakPolarHBondContact O-CB 3.41Å; V605-I609 WeakPolarHBondContact O-CG2 3.42Å; V605-I609 PolarHBondContact O-N 3.3Å; I609-K611 PolarHBondContact O-N 2.99Å; I609-L612 PolarHBondContact O-N 3.45Å; I609-L612 VanDerWaalsContact O-N 3.11Å; I609-M613 HydrophobicContact CD1-SD 4.1Å; I609-M613 HydrophobicContact CG1-CG 4.13Å; I609-M613 HydrophobicContact CG1-SD 3.99Å; I609-M613 VanDerWaalsContact O-CG 3.29Å; I609-M613 WeakPolarHBondContact O-CG 3.36Å; I609-M613 PolarHBondContact O-N 2.89Å; I609-V624 HydrophobicContact CG2-CG1 4.17Å; I609-I674 HydrophobicContact CD1-CD1 3.91Å
610	T	92	Very high	90.9	Very high	34 Å²	34	46.3 Å²	46.3	21%	0.209	25%	0.252	C	S	.	.	H	α-helix	trans	-52.6	-55.9	178.8	-50.4	0	0	0	0	111.5	S606 L612 M613 E614 V624	S606-T610 PolarHBondContact O-N 2.76Å; S606-T610 PolarHBondContact O-OG1 3.33Å; T610-L612 VanDerWaalsContact C-N 3.28Å; T610-L612 PolarHBondContact O-N 3.3Å; T610-M613 PolarHBondContact O-N 2.76Å; T610-E614 WeakPolarHBondContact O-CG 3.38Å; T610-E614 PolarHBondContact O-N 3.27Å; T610-E614 VanDerWaalsContact O-N 3.13Å; T610-V624 HydrophobicContact CG2-CG2 4.26Å; T610-V624 WeakPolarHBondContact OG1-CB 3.46Å; T610-V624 WeakPolarHBondContact OG1-CG2 3.43Å
611	K	91	Very high	90.9	Very high	139 Å²	139	48.6 Å²	48.6	60%	0.604	26%	0.263	S	S	*	.	H	α-helix	trans	-61.9	-33.7	179.2	-62.9	177.3	-179.8	-178.3	0	113.3	I609 S615	I609-K611 PolarHBondContact O-N 2.99Å; K611-S615 WeakPolarHBondContact O-CB 3.38Å; K611-S615 PolarHBondContact O-N 3.1Å; K611-S615 PolarHBondContact O-OG 2.94Å
612	L	91.8	Very high	90.9	Very high	47 Å²	47	50 Å²	50	25%	0.246	27%	0.268	C	S	.	.	H	α-helix	trans	-76.3	-38.3	180	-73.9	165.6	0	0	0	111.8	C523 V524 S608 I609 T610 S615 L616	C523-L612 HydrophobicContact CB-CD1 3.88Å; C523-L612 HydrophobicContact CB-CD2 3.99Å; V524-L612 HydrophobicContact CB-CD1 4.49Å; V524-L612 HydrophobicContact CG2-CD1 3.49Å; V524-L612 VanDerWaalsContact CG2-CD1 3.49Å; S608-L612 WeakPolarHBondContact O-CD1 3.36Å; S608-L612 WeakPolarHBondContact O-CG 3.44Å; S608-L612 PolarHBondContact O-N 3.07Å; I609-L612 PolarHBondContact O-N 3.45Å; I609-L612 VanDerWaalsContact O-N 3.11Å; T610-L612 VanDerWaalsContact C-N 3.28Å; T610-L612 PolarHBondContact O-N 3.3Å; L612-S615 WeakPolarHBondContact CA-OG 3.44Å; L612-S615 PolarHBondContact O-N 3.11Å; L612-S615 PolarHBondContact O-OG 3.09Å; L612-L616 WeakPolarHBondContact O-CB 3.23Å; L612-L616 VanDerWaalsContact O-CG 3.29Å; L612-L616 WeakPolarHBondContact O-CG 3.34Å; L612-L616 PolarHBondContact O-N 2.8Å
613	M	91.7	Very high	90.9	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.6	-48.7	175.8	-68.8	-178.2	78.9	0	0	111	I516 C517 S520 I609 T610 S615 L616 E617 Y622 V635 V637	I516-M613 HydrophobicContact CG2-CB 4.34Å; I516-M613 HydrophobicContact CG2-CE 3.93Å; I516-M613 HydrophobicContact CG2-CG 4.1Å; C517-M613 VanDerWaalsContact SG-CE 3.54Å; S520-M613 WeakPolarHBondContact OG-CG 3.38Å; I609-M613 HydrophobicContact CD1-SD 4.1Å; I609-M613 HydrophobicContact CG1-CG 4.13Å; I609-M613 HydrophobicContact CG1-SD 3.99Å; I609-M613 VanDerWaalsContact O-CG 3.29Å; I609-M613 WeakPolarHBondContact O-CG 3.36Å; I609-M613 PolarHBondContact O-N 2.89Å; T610-M613 PolarHBondContact O-N 2.76Å; M613-S615 PolarHBondContact O-N 3.42Å; M613-L616 PolarHBondContact O-N 3.38Å; M613-E617 PolarHBondContact O-N 3.39Å; M613-E617 VanDerWaalsContact O-N 3.15Å; M613-Y622 VanDerWaalsContact C-CE2 3.42Å; M613-Y622 HydrophobicContact CB-CD1 4.35Å; M613-Y622 HydrophobicContact CB-CD2 3.82Å; M613-Y622 HydrophobicContact CB-CE1 4.29Å; M613-Y622 HydrophobicContact CB-CE2 3.75Å; M613-Y622 HydrophobicContact CB-CG 4.11Å; M613-Y622 HydrophobicContact CE-CD1 3.63Å; M613-Y622 HydrophobicContact CE-CE1 3.56Å; M613-Y622 HydrophobicContact CE-CG 4.4Å; M613-Y622 WeakPolarHBondContact O-CE2 3.42Å; M613-V635 HydrophobicContact CE-CG1 3.7Å; M613-V635 HydrophobicContact SD-CG1 3.76Å; M613-V637 HydrophobicContact CE-CG2 4.24Å
614	E	90.3	Very high	90.9	Very high	105 Å²	105	53 Å²	53	49%	0.491	29%	0.285	S	S	.	.	H	α-helix	trans	-54	-36.1	173.5	-69.2	166.8	172.9	0	0	112.6	T610 Y622	T610-E614 WeakPolarHBondContact O-CG 3.38Å; T610-E614 PolarHBondContact O-N 3.27Å; T610-E614 VanDerWaalsContact O-N 3.13Å; E614-Y622 HydrophobicContact CG-CD2 4.17Å
615	S	89.9	Confident	91	Very high	87 Å²	87	54.5 Å²	54.5	61%	0.608	30%	0.299	S	S	*	.	H	α-helix	trans	-80.9	-19.6	178.3	76.4	0	0	0	0	115.1	K611 L612 M613	K611-S615 WeakPolarHBondContact O-CB 3.38Å; K611-S615 PolarHBondContact O-N 3.1Å; K611-S615 PolarHBondContact O-OG 2.94Å; L612-S615 WeakPolarHBondContact CA-OG 3.44Å; L612-S615 PolarHBondContact O-N 3.11Å; L612-S615 PolarHBondContact O-OG 3.09Å; M613-S615 PolarHBondContact O-N 3.42Å
616	L	88.4	Confident	90.9	Very high	79 Å²	79	56.4 Å²	56.4	41%	0.414	31%	0.314	S	S	.	.	H	α-helix	trans	-93.5	-32.6	-176	-79.7	171	0	0	0	113	R519 S520 L612 M613	R519-L616 HydrophobicContact CB-CD1 4.05Å; S520-L616 WeakPolarHBondContact OG-CD1 3.43Å; L612-L616 WeakPolarHBondContact O-CB 3.23Å; L612-L616 VanDerWaalsContact O-CG 3.29Å; L612-L616 WeakPolarHBondContact O-CG 3.34Å; L612-L616 PolarHBondContact O-N 2.8Å; M613-L616 PolarHBondContact O-N 3.38Å
617	E	86.6	Confident	90.9	Very high	28 Å²	28	60 Å²	60	13%	0.131	33%	0.329	C	S	.	.			trans	-154.1	90.7	179.6	176.1	55.9	-90.5	0	0	110.6	I516 M613 R619 L620 Y622	I516-E617 HydrophobicContact CD1-CB 3.79Å; I516-E617 HydrophobicContact CD1-CG 3.92Å; I516-E617 HydrophobicContact CG1-CB 4.46Å; M613-E617 PolarHBondContact O-N 3.39Å; M613-E617 VanDerWaalsContact O-N 3.15Å; E617-R619 VanDerWaalsContact C-N 3.25Å; E617-R619 PolarHBondContact O-N 3.41Å; E617-R619 WeakPolarHBondContact OE1-CB 3.43Å; E617-R619 VanDerWaalsContact OE1-CG 3.25Å; E617-R619 WeakPolarHBondContact OE1-CG 3.47Å; E617-R619 IonicContact OE1-CZ 2.72Å; E617-R619 PolarHBondContact OE1-N 3.01Å; E617-R619 VanDerWaalsContact OE1-N 3.11Å; E617-R619 IonicContact OE1-NE 2.81Å; E617-R619 PolarHBondContact OE1-NE 3.34Å; E617-R619 IonicContact OE1-NH2 2.64Å; E617-R619 IonicContact OE2-CZ 2.74Å; E617-R619 IonicContact OE2-NE 2.66Å; E617-R619 PolarHBondContact OE2-NE 3.25Å; E617-R619 IonicContact OE2-NH2 2.88Å; E617-R619 PolarHBondContact OE2-NH2 3.03Å; E617-L620 HydrophobicContact CG-CB 4.46Å; E617-L620 HydrophobicContact CG-CD1 3.75Å; E617-L620 HydrophobicContact CG-CG 3.91Å; E617-Y622 PolarHBondContact O-OH 3.1Å; E617-Y622 VanDerWaalsContact O-OH 3.11Å
618	S	85.5	Confident	90.6	Very high	107 Å²	107	58 Å²	58	75%	0.748	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-1.7	-176	60.1	0	0	0	0	114.7	L620	S618-L620 VanDerWaalsContact C-N 3.29Å
619	R	85.2	Confident	90.5	Very high	66 Å²	66	60 Å²	60	25%	0.249	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-10.3	174	-61.1	177.6	-72.4	-178.4	-3.9	113.5	E617 L644 L645 S648 D649	E617-R619 VanDerWaalsContact C-N 3.25Å; E617-R619 PolarHBondContact O-N 3.41Å; E617-R619 WeakPolarHBondContact OE1-CB 3.43Å; E617-R619 VanDerWaalsContact OE1-CG 3.25Å; E617-R619 WeakPolarHBondContact OE1-CG 3.47Å; E617-R619 IonicContact OE1-CZ 2.72Å; E617-R619 PolarHBondContact OE1-N 3.01Å; E617-R619 VanDerWaalsContact OE1-N 3.11Å; E617-R619 IonicContact OE1-NE 2.81Å; E617-R619 PolarHBondContact OE1-NE 3.34Å; E617-R619 IonicContact OE1-NH2 2.64Å; E617-R619 IonicContact OE2-CZ 2.74Å; E617-R619 IonicContact OE2-NE 2.66Å; E617-R619 PolarHBondContact OE2-NE 3.25Å; E617-R619 IonicContact OE2-NH2 2.88Å; E617-R619 PolarHBondContact OE2-NH2 3.03Å; R619-L644 PolarHBondContact NH1-O 3.45Å; R619-L645 HydrophobicContact CB-CD2 3.97Å; R619-S648 PolarHBondContact NH1-OG 3.24Å; R619-D649 IonicContact CZ-OD2 2.64Å; R619-D649 IonicContact NH1-OD2 3.43Å; R619-D649 PolarHBondContact NH1-OD2 3.46Å; R619-D649 IonicContact NH2-OD2 3.04Å; R619-D649 PolarHBondContact NH2-OD2 3.48Å
620	L	88.1	Confident	90.3	Very high	12 Å²	12	62.6 Å²	62.6	6%	0.063	34%	0.342	C	S	.	.	S	Bend	trans	-109.8	150.6	-176.8	-65	175.3	0	0	0	111.4	L512 I516 E617 S618 Y622 V637 C639 L645	L512-L620 HydrophobicContact CD2-CD1 4.06Å; L512-L620 HydrophobicContact CG-CD1 4.33Å; I516-L620 HydrophobicContact CD1-CD1 3.62Å; E617-L620 HydrophobicContact CG-CB 4.46Å; E617-L620 HydrophobicContact CG-CD1 3.75Å; E617-L620 HydrophobicContact CG-CG 3.91Å; S618-L620 VanDerWaalsContact C-N 3.29Å; L620-Y622 HydrophobicContact CB-CE1 3.88Å; L620-Y622 HydrophobicContact CB-CE2 4.31Å; L620-Y622 HydrophobicContact CD1-CE1 4.37Å; L620-V637 HydrophobicContact CB-CG1 4.34Å; L620-V637 HydrophobicContact CD1-CG1 3.97Å; L620-C639 HydrophobicContact CD2-CB 3.68Å; L620-L645 HydrophobicContact CD2-CD1 4.04Å; L620-L645 HydrophobicContact CD2-CD2 4.49Å
621	Q	89.5	Confident	90.2	Very high	107 Å²	107	61 Å²	61	50%	0.5	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	132.8	172.9	-71.8	-177.5	-33.9	0	0	109.7	V637 S638 S640	Q621-V637 WeakPolarHBondContact O-CA 3.34Å; Q621-S638 WeakPolarHBondContact CB-OG 3.37Å; Q621-S638 PolarHBondContact N-O 3.48Å; Q621-S638 PolarHBondContact O-N 3.45Å; Q621-S640 PolarHBondContact NE2-OG 3.09Å; Q621-S640 PolarHBondContact OE1-OG 3.27Å
622	Y	92.1	Very high	90.3	Very high	29 Å²	29	55.2 Å²	55.2	11%	0.114	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.1	-177.7	-55.9	-60.7	0	0	0	110.5	M613 E614 E617 L620 V636 V637	M613-Y622 VanDerWaalsContact C-CE2 3.42Å; M613-Y622 HydrophobicContact CB-CD1 4.35Å; M613-Y622 HydrophobicContact CB-CD2 3.82Å; M613-Y622 HydrophobicContact CB-CE1 4.29Å; M613-Y622 HydrophobicContact CB-CE2 3.75Å; M613-Y622 HydrophobicContact CB-CG 4.11Å; M613-Y622 HydrophobicContact CE-CD1 3.63Å; M613-Y622 HydrophobicContact CE-CE1 3.56Å; M613-Y622 HydrophobicContact CE-CG 4.4Å; M613-Y622 WeakPolarHBondContact O-CE2 3.42Å; E614-Y622 HydrophobicContact CG-CD2 4.17Å; E617-Y622 PolarHBondContact O-OH 3.1Å; E617-Y622 VanDerWaalsContact O-OH 3.11Å; L620-Y622 HydrophobicContact CB-CE1 3.88Å; L620-Y622 HydrophobicContact CB-CE2 4.31Å; L620-Y622 HydrophobicContact CD1-CE1 4.37Å; Y622-V636 WeakPolarHBondContact CA-O 3.3Å; Y622-V637 HydrophobicContact CD1-CB 4.45Å; Y622-V637 HydrophobicContact CD1-CG1 4.11Å; Y622-V637 HydrophobicContact CD1-CG2 4.03Å; Y622-V637 HydrophobicContact CE1-CG1 3.78Å; Y622-V637 HydrophobicContact CE1-CG2 4.17Å
623	T	92.7	Very high	90.5	Very high	84 Å²	84	53 Å²	53	52%	0.515	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	110	166.9	-61.1	0	0	0	0	108.3	T625 V636	T623-T625 HydrophobicContact CG2-CG2 4.42Å; T623-V636 PolarHBondContact N-O 3.46Å; T623-V636 PolarHBondContact O-N 2.81Å
624	V	93.8	Very high	90.8	Very high	28 Å²	28	54.7 Å²	54.7	17%	0.17	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	119.6	-178.7	-177.4	0	0	0	0	109.2	S606 I609 T610 I633 V635	S606-V624 WeakPolarHBondContact OG-CG1 3.46Å; I609-V624 HydrophobicContact CG2-CG1 4.17Å; T610-V624 HydrophobicContact CG2-CG2 4.26Å; T610-V624 WeakPolarHBondContact OG1-CB 3.46Å; T610-V624 WeakPolarHBondContact OG1-CG2 3.43Å; V624-I633 HydrophobicContact CG1-CG2 3.76Å; V624-V635 HydrophobicContact CG1-CG2 4.27Å; V624-V635 HydrophobicContact CG2-CG1 4.22Å; V624-V635 HydrophobicContact CG2-CG2 4.19Å
625	T	94.3	Very high	91	Very high	77 Å²	77	49.7 Å²	49.7	47%	0.472	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.5	175.3	56.4	0	0	0	0	109.4	T623 T634	T623-T625 HydrophobicContact CG2-CG2 4.42Å; T625-T634 PolarHBondContact N-O 3.49Å; T625-T634 PolarHBondContact O-N 3.47Å
626	A	92.3	Very high	91.3	Very high	40 Å²	40	47.3 Å²	47.3	33%	0.331	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	138.4	177.8	0	0	0	0	0	111.8	P628 I633	A626-P628 VanDerWaalsContact C-CD 3.46Å; A626-P628 WeakPolarHBondContact O-CD 3.4Å; A626-I633 HydrophobicContact CB-CG1 4.22Å
627	E	92.8	Very high	91.5	Very high	91 Å²	91	43.7 Å²	43.7	43%	0.425	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	81.9	163.4	-172.3	-177.6	-170.4	0	0	107.6	T629 M630 G631 T632	E627-T629 WeakPolarHBondContact CG-OG1 3.38Å; E627-T629 PolarHBondContact O-N 3.27Å; E627-M630 HydrophobicContact CG-CB 3.98Å; E627-M630 HydrophobicContact CG-CG 3.97Å; E627-M630 PolarHBondContact O-N 2.84Å; E627-M630 WeakPolarHBondContact OE1-CG 3.49Å; E627-M630 WeakPolarHBondContact OE2-CG 3.43Å; E627-G631 PolarHBondContact O-N 3.24Å; E627-G631 VanDerWaalsContact O-N 3.15Å; E627-T632 PolarHBondContact N-O 2.88Å; E627-T632 PolarHBondContact O-N 3.03Å
628	P	88.4	Confident	91.7	Very high	39 Å²	39	43.5 Å²	43.5	25%	0.253	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-30.2	-172.7	26.3	-35.6	0	0	0	112	K599 T602 S603 A626 M630 G631	K599-P628 WeakPolarHBondContact CA-O 3.31Å; K599-P628 HydrophobicContact CB-CB 4.12Å; K599-P628 WeakPolarHBondContact CG-O 3.27Å; K599-P628 WeakPolarHBondContact O-CB 3.43Å; T602-P628 HydrophobicContact CG2-CB 4.45Å; S603-P628 WeakPolarHBondContact OG-CB 3.36Å; A626-P628 VanDerWaalsContact C-CD 3.46Å; A626-P628 WeakPolarHBondContact O-CD 3.4Å; P628-M630 PolarHBondContact O-N 3.3Å; P628-G631 PolarHBondContact O-N 3.07Å
629	T	89.1	Confident	91.7	Very high	62 Å²	62	39.2 Å²	39.2	38%	0.38	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-29.6	173.2	35.1	0	0	0	0	114.6	K599 E627 P710	K599-T629 HydrophobicContact CD-CG2 4.26Å; E627-T629 WeakPolarHBondContact CG-OG1 3.38Å; E627-T629 PolarHBondContact O-N 3.27Å; T629-P710 VanDerWaalsContact O-CD 3.23Å; T629-P710 WeakPolarHBondContact O-CD 3.38Å
630	M	90	Very high	91.3	Very high	54 Å²	54	40.2 Å²	40.2	27%	0.266	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-5.7	-178.5	-66	-61.2	135.2	0	0	113.7	E627 P628 I709 P710 K713	E627-M630 HydrophobicContact CG-CB 3.98Å; E627-M630 HydrophobicContact CG-CG 3.97Å; E627-M630 PolarHBondContact O-N 2.84Å; E627-M630 WeakPolarHBondContact OE1-CG 3.49Å; E627-M630 WeakPolarHBondContact OE2-CG 3.43Å; P628-M630 PolarHBondContact O-N 3.3Å; M630-I709 WeakPolarHBondContact O-CG2 3.49Å; M630-P710 HydrophobicContact CE-CG 4.29Å; M630-P710 HydrophobicContact SD-CG 4.28Å; M630-K713 HydrophobicContact CB-CD 4.38Å; M630-K713 HydrophobicContact SD-CD 4.25Å; M630-K713 VanDerWaalsContact SD-CE 3.52Å; M630-K713 HydrophobicContact SD-CG 3.97Å
631	G	89.9	Confident	90.5	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.01	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	78	19.5	-177.6	0	0	0	0	0	114.5	E627 P628 L676	E627-G631 PolarHBondContact O-N 3.24Å; E627-G631 VanDerWaalsContact O-N 3.15Å; P628-G631 PolarHBondContact O-N 3.07Å; G631-L676 WeakPolarHBondContact O-CD1 3.33Å; G631-L676 PolarHBondContact O-N 2.76Å
632	T	94.7	Very high	89.5	Confident	17 Å²	17	39.4 Å²	39.4	10%	0.104	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132	-173.3	-59.6	0	0	0	0	110.5	E627 V673 I674 N675	E627-T632 PolarHBondContact N-O 2.88Å; E627-T632 PolarHBondContact O-N 3.03Å; T632-V673 HydrophobicContact CG2-CG1 3.56Å; T632-I674 CarbonylContact C-O 3.6Å; T632-I674 WeakPolarHBondContact CA-O 3.17Å; T632-N675 WeakPolarHBondContact CG2-OD1 3.23Å; T632-N675 PolarHBondContact OG1-OD1 2.94Å
633	I	96.2	Very high	88.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	116.4	173.6	-52.1	172.3	0	0	0	107.7	T602 V605 V624 A626 V635 I674 L676	T602-I633 HydrophobicContact CG2-CD1 3.99Å; T602-I633 HydrophobicContact CG2-CG1 3.62Å; V605-I633 HydrophobicContact CB-CD1 3.94Å; V605-I633 HydrophobicContact CG1-CD1 3.65Å; V624-I633 HydrophobicContact CG1-CG2 3.76Å; A626-I633 HydrophobicContact CB-CG1 4.22Å; I633-V635 HydrophobicContact CG2-CG2 4.22Å; I633-I674 HydrophobicContact CB-CB 4.35Å; I633-I674 PolarHBondContact N-O 2.93Å; I633-I674 PolarHBondContact O-N 2.98Å; I633-L676 HydrophobicContact CD1-CD1 4.1Å; I633-L676 HydrophobicContact CG1-CD1 4.41Å
634	T	96.7	Very high	86.8	Confident	36 Å²	36	41.6 Å²	41.6	22%	0.221	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	128.3	174.6	-57.6	0	0	0	0	109.3	T625 V636 T671 L672 V673	T625-T634 PolarHBondContact N-O 3.49Å; T625-T634 PolarHBondContact O-N 3.47Å; T634-V636 HydrophobicContact CG2-CG2 4.43Å; T634-T671 HydrophobicContact CG2-CG2 3.62Å; T634-L672 CarbonylContact C-O 3.58Å; T634-L672 WeakPolarHBondContact CA-O 3.48Å; T634-V673 HydrophobicContact CG2-CG2 4.4Å
635	V	95.9	Very high	85.2	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	109.4	-179.6	179.7	0	0	0	0	108.1	M613 V624 I633 V637 L672 I674	M613-V635 HydrophobicContact CE-CG1 3.7Å; M613-V635 HydrophobicContact SD-CG1 3.76Å; V624-V635 HydrophobicContact CG1-CG2 4.27Å; V624-V635 HydrophobicContact CG2-CG1 4.22Å; V624-V635 HydrophobicContact CG2-CG2 4.19Å; I633-V635 HydrophobicContact CG2-CG2 4.22Å; V635-V637 HydrophobicContact CG1-CG2 4.07Å; V635-L672 HydrophobicContact CB-CB 4.41Å; V635-L672 PolarHBondContact N-O 2.69Å; V635-L672 PolarHBondContact O-N 3.07Å; V635-I674 HydrophobicContact CG2-CD1 3.9Å
636	V	95.3	Very high	83.4	Confident	37 Å²	37	39.6 Å²	39.6	22%	0.224	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	127.5	173.6	-175.2	0	0	0	0	108.5	Y622 T623 T634 T669 I670 T671	Y622-V636 WeakPolarHBondContact CA-O 3.3Å; T623-V636 PolarHBondContact N-O 3.46Å; T623-V636 PolarHBondContact O-N 2.81Å; T634-V636 HydrophobicContact CG2-CG2 4.43Å; V636-T669 HydrophobicContact CG1-CG2 3.34Å; V636-I670 CarbonylContact C-O 3.51Å; V636-I670 WeakPolarHBondContact CA-O 3.31Å; V636-T671 HydrophobicContact CG2-CG2 4.3Å
637	V	93.2	Very high	81.4	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	119.7	-179.6	-173.5	0	0	0	0	108.8	A513 M613 L620 Q621 Y622 V635 T669 I670	A513-V637 HydrophobicContact CB-CB 4.15Å; A513-V637 HydrophobicContact CB-CG1 4.26Å; A513-V637 HydrophobicContact CB-CG2 4Å; M613-V637 HydrophobicContact CE-CG2 4.24Å; L620-V637 HydrophobicContact CB-CG1 4.34Å; L620-V637 HydrophobicContact CD1-CG1 3.97Å; Q621-V637 WeakPolarHBondContact O-CA 3.34Å; Y622-V637 HydrophobicContact CD1-CB 4.45Å; Y622-V637 HydrophobicContact CD1-CG1 4.11Å; Y622-V637 HydrophobicContact CD1-CG2 4.03Å; Y622-V637 HydrophobicContact CE1-CG1 3.78Å; Y622-V637 HydrophobicContact CE1-CG2 4.17Å; V635-V637 HydrophobicContact CG1-CG2 4.07Å; V637-T669 CarbonylContact O-C 3.49Å; V637-T669 WeakPolarHBondContact O-CA 3.32Å; V637-I670 HydrophobicContact CB-CB 4.49Å; V637-I670 PolarHBondContact N-O 3.09Å; V637-I670 PolarHBondContact O-N 3.13Å
638	S	90.5	Very high	79	Confident	24 Å²	24	45.6 Å²	45.6	17%	0.168	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	164	175.8	55.5	0	0	0	0	111.2	Q621	Q621-S638 WeakPolarHBondContact CB-OG 3.37Å; Q621-S638 PolarHBondContact N-O 3.48Å; Q621-S638 PolarHBondContact O-N 3.45Å
639	C	85.9	Confident	76.9	Confident	18 Å²	18	48.2 Å²	48.2	12%	0.122	28%	0.275	C	S	.	.			trans	-130.7	124.5	173.7	-172.4	0	0	0	0	109.1	L620 D641 L645 W667	L620-C639 HydrophobicContact CD2-CB 3.68Å; C639-D641 VanDerWaalsContact SG-C 3.58Å; C639-D641 PolarHBondContact SG-O 3.41Å; C639-D641 VanDerWaalsContact SG-O 3.39Å; C639-L645 HydrophobicContact CB-CD1 4.23Å; C639-W667 HydrophobicContact CB-CB 4.02Å; C639-W667 HydrophobicContact CB-CD2 4.38Å; C639-W667 HydrophobicContact CB-CG 3.76Å
640	S	75	Confident	74.6	Confident	86 Å²	86	50.8 Å²	50.8	60%	0.601	29%	0.285	S	S	*	.	S	Bend	trans	-78	-26	-178.8	-36.4	0	0	0	0	112.9	Q621	Q621-S640 PolarHBondContact NE2-OG 3.09Å; Q621-S640 PolarHBondContact OE1-OG 3.27Å
641	D	73	Confident	72.1	Confident	68 Å²	68	53.3 Å²	53.3	36%	0.364	31%	0.308	S	S	.	.			trans	-140.7	96.4	177.9	-177.7	-3.2	0	0	0	111	C639 S643 L644	C639-D641 VanDerWaalsContact SG-C 3.58Å; C639-D641 PolarHBondContact SG-O 3.41Å; C639-D641 VanDerWaalsContact SG-O 3.39Å; D641-S643 VanDerWaalsContact CG-OG 3.24Å; D641-S643 PolarHBondContact O-N 3.49Å; D641-S643 VanDerWaalsContact O-N 3.11Å; D641-S643 WeakPolarHBondContact OD1-CA 3.45Å; D641-S643 WeakPolarHBondContact OD1-CB 3.48Å; D641-S643 PolarHBondContact OD1-N 2.89Å; D641-S643 PolarHBondContact OD1-OG 2.72Å; D641-S643 PolarHBondContact OD2-OG 3.27Å; D641-S643 VanDerWaalsContact OD2-OG 3.11Å; D641-L644 HydrophobicContact CB-CD1 4.07Å; D641-L644 HydrophobicContact CB-CG 4.1Å; D641-L644 PolarHBondContact O-N 3.43Å
642	P	68.8	Low	69.9	Low	34 Å²	34	58.4 Å²	58.4	22%	0.221	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-60.8	-16.6	176.9	19.4	-29.5	0	0	0	114.6	L644 L645 N646 A665 W667	P642-L644 PolarHBondContact O-N 3.28Å; P642-L645 PolarHBondContact O-N 3.42Å; P642-N646 PolarHBondContact O-ND2 3.26Å; P642-A665 WeakPolarHBondContact CG-O 3.49Å; P642-W667 HydrophobicContact CB-CB 4.2Å; P642-W667 HydrophobicContact CB-CE3 4.09Å
643	S	67.2	Low	67.3	Low	65 Å²	65	62.1 Å²	62.1	46%	0.455	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-67.3	-25.5	-179.3	81.5	0	0	0	0	112.7	D641 L645	D641-S643 VanDerWaalsContact CG-OG 3.24Å; D641-S643 PolarHBondContact O-N 3.49Å; D641-S643 VanDerWaalsContact O-N 3.11Å; D641-S643 WeakPolarHBondContact OD1-CA 3.45Å; D641-S643 WeakPolarHBondContact OD1-CB 3.48Å; D641-S643 PolarHBondContact OD1-N 2.89Å; D641-S643 PolarHBondContact OD1-OG 2.72Å; D641-S643 PolarHBondContact OD2-OG 3.27Å; D641-S643 VanDerWaalsContact OD2-OG 3.11Å; S643-L645 VanDerWaalsContact C-N 3.34Å; S643-L645 PolarHBondContact O-N 3.15Å
644	L	60	Low	64	Low	95 Å²	95	70 Å²	70	50%	0.497	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-75.9	-18.4	-179.5	-55.9	-178.9	0	0	0	113.9	R619 D641 P642	R619-L644 PolarHBondContact NH1-O 3.45Å; D641-L644 HydrophobicContact CB-CD1 4.07Å; D641-L644 HydrophobicContact CB-CG 4.1Å; D641-L644 PolarHBondContact O-N 3.43Å; P642-L644 PolarHBondContact O-N 3.28Å
645	L	61.1	Low	61.3	Low	9 Å²	9	74.4 Å²	74.4	5%	0.047	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-22.9	178.2	-61.3	176.5	0	0	0	112.3	R619 L620 C639 P642 S643 K647 W667	R619-L645 HydrophobicContact CB-CD2 3.97Å; L620-L645 HydrophobicContact CD2-CD1 4.04Å; L620-L645 HydrophobicContact CD2-CD2 4.49Å; C639-L645 HydrophobicContact CB-CD1 4.23Å; P642-L645 PolarHBondContact O-N 3.42Å; S643-L645 VanDerWaalsContact C-N 3.34Å; S643-L645 PolarHBondContact O-N 3.15Å; L645-K647 PolarHBondContact O-N 2.85Å; L645-W667 HydrophobicContact CB-CH2 4.36Å; L645-W667 HydrophobicContact CB-CZ3 4.27Å; L645-W667 HydrophobicContact CD1-CD2 3.85Å; L645-W667 HydrophobicContact CD1-CE3 3.82Å; L645-W667 HydrophobicContact CD1-CH2 3.5Å; L645-W667 HydrophobicContact CD1-CZ2 3.52Å; L645-W667 HydrophobicContact CD1-CZ3 3.66Å
646	N	54.9	Low	58.1	Low	53 Å²	53	84 Å²	84	28%	0.283	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	11.2	-169.2	-76	-37.4	0	0	0	115.5	W505 P642 I650	W505-N646 WeakPolarHBondContact CH2-ND2 3.41Å; W505-N646 WeakPolarHBondContact CH2-OD1 3.4Å; W505-N646 VanDerWaalsContact CZ3-OD1 3.3Å; W505-N646 WeakPolarHBondContact CZ3-OD1 3.37Å; P642-N646 PolarHBondContact O-ND2 3.26Å; N646-I650 WeakPolarHBondContact O-CD1 3.34Å
647	K	50.7	Low	55.2	Low	191 Å²	191	85.9 Å²	85.9	83%	0.83	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	-9.5	-168.3	-96.3	178.2	177.5	171.4	0	117.9	L645	L645-K647 PolarHBondContact O-N 2.85Å
648	S	42.8	Very low	52.2	Low	67 Å²	67	91 Å²	91	47%	0.469	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-43.4	-176	53.6	0	0	0	0	114.6	R619 I650	R619-S648 PolarHBondContact NH1-OG 3.24Å; S648-I650 PolarHBondContact O-N 2.87Å
649	D	44.3	Very low	49.6	Very low	94 Å²	94	93.7 Å²	93.7	50%	0.503	53%	0.533	S	S	.	.	S	Bend	trans	-99.2	11.1	-155.1	-46.6	-37.8	0	0	0	114.3	R619 S651	R619-D649 IonicContact CZ-OD2 2.64Å; R619-D649 IonicContact NH1-OD2 3.43Å; R619-D649 PolarHBondContact NH1-OD2 3.46Å; R619-D649 IonicContact NH2-OD2 3.04Å; R619-D649 PolarHBondContact NH2-OD2 3.48Å; D649-S651 VanDerWaalsContact C-N 3.31Å; D649-S651 PolarHBondContact O-N 3.04Å
650	I	41.2	Very low	47.4	Very low	115 Å²	115	102.3 Å²	102.3	59%	0.59	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-7.8	-169	-65.3	175.3	0	0	0	113.1	N646 S648 E652	N646-I650 WeakPolarHBondContact O-CD1 3.34Å; S648-I650 PolarHBondContact O-N 2.87Å; I650-E652 PolarHBondContact O-N 3.37Å
651	S	37.1	Very low	45.5	Very low	107 Å²	107	107.5 Å²	107.5	75%	0.748	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-19.3	-173.8	49.4	0	0	0	0	116.1	D649	D649-S651 VanDerWaalsContact C-N 3.31Å; D649-S651 PolarHBondContact O-N 3.04Å
652	E	43.4	Very low	44	Very low	108 Å²	108	111.8 Å²	111.8	51%	0.505	61%	0.606	S	S	.	*	S	Bend	trans	-109.5	-7.8	-171.5	-65.4	-161.9	143.4	0	0	115.6	N103 I650	N103-E652 PolarHBondContact ND2-OE2 3.01Å; I650-E652 PolarHBondContact O-N 3.37Å
653	V	40.3	Very low	42.9	Very low	95 Å²	95	118.4 Å²	118.4	58%	0.576	63%	0.634	S	S	*	*			trans	-120.1	116	177.8	-174.3	0	0	0	0	110.8	L655	V653-L655 HydrophobicContact CG1-CB 4.25Å; V653-L655 HydrophobicContact CG1-CD1 3.94Å; V653-L655 HydrophobicContact CG1-CG 4.02Å; V653-L655 PolarHBondContact O-N 3.5Å
654	N	27.2	Very low	42.2	Very low	167 Å²	167	120.6 Å²	120.6	89%	0.893	65%	0.649	S	S	*	*			trans	-78	56.2	-177.8	-97.7	-87.7	0	0	0	113.3
655	L	39	Very low	42.1	Very low	127 Å²	127	118 Å²	118	67%	0.665	64%	0.641	S	S	*	*			trans	-122.3	78	175	-70.2	175.3	0	0	0	110	V653 P657	V653-L655 HydrophobicContact CG1-CB 4.25Å; V653-L655 HydrophobicContact CG1-CD1 3.94Å; V653-L655 HydrophobicContact CG1-CG 4.02Å; V653-L655 PolarHBondContact O-N 3.5Å; L655-P657 VanDerWaalsContact O-CD 3.27Å; L655-P657 WeakPolarHBondContact O-CD 3.44Å
656	K	29.7	Very low	42.7	Very low	203 Å²	203	124.4 Å²	124.4	88%	0.883	67%	0.674	S	S	*	*			trans	-74.6	114.7	175.6	-165	173.1	-172.1	177.2	0	109.4	A658	K656-A658 PolarHBondContact O-N 2.64Å
657	P	35.1	Very low	43.9	Very low	75 Å²	75	122.8 Å²	122.8	49%	0.487	66%	0.664	S	S	.	*			trans	-67.6	130.6	-175.2	-20	33.4	0	0	0	111.6	L655 C659	L655-P657 VanDerWaalsContact O-CD 3.27Å; L655-P657 WeakPolarHBondContact O-CD 3.44Å; P657-C659 VanDerWaalsContact C-N 3.28Å; P657-C659 PolarHBondContact O-N 3.03Å
658	A	30.1	Very low	45.7	Very low	110 Å²	110	114.3 Å²	114.3	91%	0.909	63%	0.629	S	S	*	*			trans	-91.5	57.5	174.7	0	0	0	0	0	110.9	K656	K656-A658 PolarHBondContact O-N 2.64Å
659	C	35.2	Very low	48	Very low	81 Å²	81	114.5 Å²	114.5	55%	0.547	63%	0.627	S	S	.	*			trans	-96.8	143.3	-177.9	-63.9	0	0	0	0	111.4	P657	P657-C659 VanDerWaalsContact C-N 3.28Å; P657-C659 PolarHBondContact O-N 3.03Å
660	K	39.2	Very low	50.4	Low	199 Å²	199	110 Å²	110	87%	0.865	60%	0.603	S	S	*	*			trans	-83.4	147	166.1	-62.6	176.2	-177.9	176.1	0	108.3	N662	K660-N662 PolarHBondContact O-N 3.26Å
661	E	36	Very low	53.1	Low	194 Å²	194	106.6 Å²	106.6	91%	0.907	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	8.5	-155.8	-61.3	172.3	129.9	0	0	116.3
662	N	40	Very low	55.9	Low	158 Å²	158	101.5 Å²	101.5	85%	0.845	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.8	6	-163	-73.9	11	0	0	0	116.8	K660	K660-N662 PolarHBondContact O-N 3.26Å
663	E	47.1	Very low	58.5	Low	174 Å²	174	97.8 Å²	97.8	81%	0.813	54%	0.537	S	S	*	.	S	Bend	trans	-98.7	117.2	168.9	-76	-177.5	178.9	0	0	110.2	A665	E663-A665 PolarHBondContact O-N 3.33Å
664	S	51.6	Low	61.2	Low	111 Å²	111	93.3 Å²	93.3	78%	0.776	51%	0.509	S	S	*	.			trans	-67.9	100	177.2	53	0	0	0	0	110.5	I666	S664-I666 PolarHBondContact O-N 3.05Å
665	A	57.9	Low	64.4	Low	40 Å²	40	86.8 Å²	86.8	33%	0.331	47%	0.474	S	S	.	.			trans	-69.6	94.8	-172.4	0	0	0	0	0	112.9	W505 P642 E663	W505-A665 HydrophobicContact CD2-CB 4.27Å; W505-A665 HydrophobicContact CZ2-CB 4.05Å; P642-A665 WeakPolarHBondContact CG-O 3.49Å; E663-A665 PolarHBondContact O-N 3.33Å
666	I	74.5	Confident	67.1	Low	144 Å²	144	80.8 Å²	80.8	74%	0.738	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-72.4	130.9	169.9	-58.5	173.3	0	0	0	108.8	S664	S664-I666 PolarHBondContact O-N 3.05Å
667	W	79.2	Confident	70.1	Confident	19 Å²	19	71.2 Å²	71.2	7%	0.072	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-74.6	126.1	172.9	-157.8	-90.5	0	0	0	110	W505 Q508 A509 L512 C639 P642 L645	W505-W667 HydrophobicContact CE3-CZ3 4.2Å; W505-W667 HydrophobicContact CZ3-CZ3 4.33Å; Q508-W667 HydrophobicContact CG-CH2 4.16Å; A509-W667 HydrophobicContact CB-CD2 4.38Å; A509-W667 HydrophobicContact CB-CZ2 3.78Å; L512-W667 HydrophobicContact CD2-CZ2 4.01Å; C639-W667 HydrophobicContact CB-CB 4.02Å; C639-W667 HydrophobicContact CB-CD2 4.38Å; C639-W667 HydrophobicContact CB-CG 3.76Å; P642-W667 HydrophobicContact CB-CB 4.2Å; P642-W667 HydrophobicContact CB-CE3 4.09Å; L645-W667 HydrophobicContact CB-CH2 4.36Å; L645-W667 HydrophobicContact CB-CZ3 4.27Å; L645-W667 HydrophobicContact CD1-CD2 3.85Å; L645-W667 HydrophobicContact CD1-CE3 3.82Å; L645-W667 HydrophobicContact CD1-CH2 3.5Å; L645-W667 HydrophobicContact CD1-CZ2 3.52Å; L645-W667 HydrophobicContact CD1-CZ3 3.66Å
668	P	88.4	Confident	72.7	Confident	12 Å²	12	67.7 Å²	67.7	8%	0.078	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-72.2	140.5	178.4	29.1	-33.6	0	0	0	111.2	E506 A509 I670	E506-P668 HydrophobicContact CG-CG 4.25Å; A509-P668 HydrophobicContact CB-CG 3.66Å; P668-I670 HydrophobicContact CB-CD1 4.22Å; P668-I670 HydrophobicContact CG-CD1 4Å; P668-I670 PolarHBondContact O-N 2.9Å
669	T	92.7	Very high	75.3	Confident	71 Å²	71	64.8 Å²	64.8	44%	0.436	35%	0.351	S	S	.	.			trans	-75.1	111.7	170.8	-62.4	0	0	0	0	109.2	H585 V636 V637	H585-T669 VanDerWaalsContact CB-O 3.29Å; H585-T669 WeakPolarHBondContact CB-O 3.09Å; V636-T669 HydrophobicContact CG1-CG2 3.34Å; V637-T669 CarbonylContact O-C 3.49Å; V637-T669 WeakPolarHBondContact O-CA 3.32Å
670	I	94.8	Very high	77.6	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	131.8	-177.9	-53.6	-55.4	0	0	0	110	A509 M510 A513 H585 V636 V637 P668 L672	A509-I670 HydrophobicContact CB-CD1 3.97Å; A509-I670 HydrophobicContact CB-CG1 4.01Å; M510-I670 HydrophobicContact CE-CD1 4.33Å; M510-I670 HydrophobicContact CE-CG2 3.9Å; M510-I670 HydrophobicContact SD-CG2 3.75Å; A513-I670 HydrophobicContact CB-CB 4.04Å; A513-I670 HydrophobicContact CB-CG1 4.31Å; A513-I670 HydrophobicContact CB-CG2 3.86Å; H585-I670 HydrophobicContact CB-CD1 4.03Å; H585-I670 CarbonylContact O-C 3.54Å; H585-I670 WeakPolarHBondContact O-CA 3.33Å; V636-I670 CarbonylContact C-O 3.51Å; V636-I670 WeakPolarHBondContact CA-O 3.31Å; V637-I670 HydrophobicContact CB-CB 4.49Å; V637-I670 PolarHBondContact N-O 3.09Å; V637-I670 PolarHBondContact O-N 3.13Å; P668-I670 HydrophobicContact CB-CD1 4.22Å; P668-I670 HydrophobicContact CG-CD1 4Å; P668-I670 PolarHBondContact O-N 2.9Å; I670-L672 HydrophobicContact CG2-CD2 3.77Å; I670-L672 HydrophobicContact CG2-CG 4.11Å
671	T	96.6	Very high	79.6	Confident	42 Å²	42	54.3 Å²	54.3	26%	0.258	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	114.3	176.6	-61.5	0	0	0	0	110.3	H585 S586 A587 T634 V636	H585-T671 PolarHBondContact O-N 3.01Å; S586-T671 CarbonylContact C-O 3.59Å; S586-T671 VanDerWaalsContact CA-O 3.26Å; S586-T671 WeakPolarHBondContact CA-O 3.41Å; A587-T671 PolarHBondContact N-O 2.92Å; T634-T671 HydrophobicContact CG2-CG2 3.62Å; V636-T671 HydrophobicContact CG2-CG2 4.3Å
672	L	96.8	Very high	81.3	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	123.2	179.5	-57.3	-179.8	0	0	0	110.4	M510 A513 V514 C517 A587 T634 V635 I670	M510-L672 HydrophobicContact SD-CD2 4.06Å; A513-L672 HydrophobicContact CB-CD1 3.98Å; V514-L672 HydrophobicContact CG2-CD1 4.25Å; V514-L672 HydrophobicContact CG2-CD2 3.74Å; C517-L672 HydrophobicContact CB-CD1 4.01Å; C517-L672 VanDerWaalsContact SG-CD1 3.58Å; A587-L672 HydrophobicContact CB-CD2 3.87Å; A587-L672 WeakPolarHBondContact O-CA 3.33Å; T634-L672 CarbonylContact C-O 3.58Å; T634-L672 WeakPolarHBondContact CA-O 3.48Å; V635-L672 HydrophobicContact CB-CB 4.41Å; V635-L672 PolarHBondContact N-O 2.69Å; V635-L672 PolarHBondContact O-N 3.07Å; I670-L672 HydrophobicContact CG2-CD2 3.77Å; I670-L672 HydrophobicContact CG2-CG 4.11Å
673	V	96.9	Very high	82.5	Confident	31 Å²	31	44.5 Å²	44.5	19%	0.188	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	113.8	177.4	-177.2	0	0	0	0	109	A587 E588 L589 T632 T634	A587-V673 PolarHBondContact O-N 2.64Å; E588-V673 CarbonylContact C-O 3.58Å; E588-V673 WeakPolarHBondContact CA-O 3.28Å; E588-V673 HydrophobicContact CG-CB 4.21Å; L589-V673 PolarHBondContact N-O 2.96Å; T632-V673 HydrophobicContact CG2-CG1 3.56Å; T634-V673 HydrophobicContact CG2-CG2 4.4Å
674	I	96.6	Very high	82.8	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	115.8	179.4	-54.7	159.4	0	0	0	108.3	L521 L589 L591 I609 T632 I633 V635	L521-I674 HydrophobicContact CD1-CD1 4.22Å; L521-I674 HydrophobicContact CD1-CG2 4.32Å; L589-I674 HydrophobicContact CB-CG1 4.3Å; L589-I674 HydrophobicContact CD1-CG1 4.26Å; L589-I674 WeakPolarHBondContact O-CA 3.47Å; L591-I674 HydrophobicContact CB-CG2 3.93Å; I609-I674 HydrophobicContact CD1-CD1 3.91Å; T632-I674 CarbonylContact C-O 3.6Å; T632-I674 WeakPolarHBondContact CA-O 3.17Å; I633-I674 HydrophobicContact CB-CB 4.35Å; I633-I674 PolarHBondContact N-O 2.93Å; I633-I674 PolarHBondContact O-N 2.98Å; V635-I674 HydrophobicContact CG2-CD1 3.9Å
675	N	96.1	Very high	82.5	Confident	30 Å²	30	42 Å²	42	16%	0.16	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	130.3	175	-64.9	-50.9	0	0	0	110.8	L589 V590 L591 T632 S717	L589-N675 PolarHBondContact O-N 3.07Å; V590-N675 WeakPolarHBondContact CA-O 3.41Å; L591-N675 PolarHBondContact N-O 3.04Å; T632-N675 WeakPolarHBondContact CG2-OD1 3.23Å; T632-N675 PolarHBondContact OG1-OD1 2.94Å; N675-S717 WeakPolarHBondContact CB-OG 3.48Å
676	L	94.7	Very high	81.8	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	135.1	174.9	-79.2	74.7	0	0	0	110.7	L591 P597 L601 T602 G631 I633 I709	L591-L676 HydrophobicContact CB-CD1 4.48Å; L591-L676 HydrophobicContact CB-CG 4.25Å; L591-L676 HydrophobicContact CD2-CD1 4.03Å; L591-L676 HydrophobicContact CD2-CD2 4.35Å; L591-L676 HydrophobicContact CD2-CG 3.91Å; L591-L676 HydrophobicContact CG-CG 4.2Å; L591-L676 WeakPolarHBondContact O-CA 3.29Å; P597-L676 HydrophobicContact CB-CB 3.91Å; P597-L676 HydrophobicContact CB-CD2 4.17Å; P597-L676 HydrophobicContact CG-CB 4.19Å; L601-L676 HydrophobicContact CD2-CD2 4.23Å; L601-L676 HydrophobicContact CG-CD2 4.15Å; T602-L676 HydrophobicContact CG2-CD1 4.37Å; G631-L676 WeakPolarHBondContact O-CD1 3.33Å; G631-L676 PolarHBondContact O-N 2.76Å; I633-L676 HydrophobicContact CD1-CD1 4.1Å; I633-L676 HydrophobicContact CG1-CD1 4.41Å; L676-I709 HydrophobicContact CB-CD1 4.14Å
677	T	93.3	Very high	80.3	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	171.2	172.6	-163.2	0	0	0	0	111.8	V590 L591 C593 C714 I718	V590-T677 HydrophobicContact CG1-CG2 3.49Å; V590-T677 VanDerWaalsContact CG1-CG2 3.49Å; L591-T677 PolarHBondContact O-N 2.75Å; C593-T677 PolarHBondContact N-O 3.05Å; T677-C714 VanDerWaalsContact OG1-CA 3.31Å; T677-C714 WeakPolarHBondContact OG1-CA 3.38Å; T677-C714 WeakPolarHBondContact OG1-CB 3.26Å; T677-C714 PolarHBondContact OG1-O 2.99Å; T677-I718 HydrophobicContact CG2-CG1 3.79Å; T677-I718 WeakPolarHBondContact OG1-CD1 3.34Å; T677-I718 WeakPolarHBondContact OG1-CG1 3.34Å
678	S	89.9	Confident	78.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.286	C	S	.	.			trans	-143.8	139	173.1	178.8	0	0	0	0	110.9	C593 S594 K595 V680 V681	C593-S678 WeakPolarHBondContact O-CA 3.05Å; C593-S678 WeakPolarHBondContact O-CB 3.41Å; C593-S678 PolarHBondContact O-OG 3.16Å; S594-S678 PolarHBondContact O-OG 3.28Å; K595-S678 VanDerWaalsContact O-CB 3.31Å; K595-S678 WeakPolarHBondContact O-CB 3.4Å; K595-S678 PolarHBondContact O-OG 2.71Å; S678-V680 PolarHBondContact O-N 2.83Å; S678-V680 VanDerWaalsContact O-N 3.13Å; S678-V681 WeakPolarHBondContact O-CB 3.43Å; S678-V681 VanDerWaalsContact O-CG2 3.29Å; S678-V681 WeakPolarHBondContact O-CG2 3.43Å; S678-V681 PolarHBondContact O-N 3.29Å; S678-V681 VanDerWaalsContact O-N 3.13Å
679	P	85	Confident	76.4	Confident	50 Å²	50	57.3 Å²	57.3	33%	0.325	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-58.3	-25.5	176.9	-24.1	35.2	0	0	0	114	I592 V681 V682	I592-P679 HydrophobicContact CG2-CG 4.19Å; P679-V681 PolarHBondContact O-N 3.33Å; P679-V682 PolarHBondContact O-N 3.41Å
680	V	83.1	Confident	74	Confident	59 Å²	59	62.6 Å²	62.6	36%	0.358	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-57.9	-30.9	177.6	-178.1	0	0	0	0	111.8	S594 S678 V682 Q683	S594-V680 VanDerWaalsContact O-CG2 3.29Å; S594-V680 WeakPolarHBondContact O-CG2 3.5Å; S678-V680 PolarHBondContact O-N 2.83Å; S678-V680 VanDerWaalsContact O-N 3.13Å; V680-V682 PolarHBondContact O-N 2.69Å; V680-Q683 PolarHBondContact O-N 2.96Å
681	V	80.2	Confident	71.7	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.006	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-61.4	-22	-177.9	-176.7	0	0	0	0	113.5	W596 S678 P679 K711 C714 I715	W596-V681 HydrophobicContact CD2-CG2 3.67Å; W596-V681 HydrophobicContact CE3-CB 4.44Å; W596-V681 HydrophobicContact CE3-CG2 3.85Å; W596-V681 HydrophobicContact CG-CG2 4.14Å; W596-V681 HydrophobicContact CH2-CB 4.35Å; W596-V681 HydrophobicContact CH2-CG1 3.76Å; W596-V681 HydrophobicContact CH2-CG2 4.33Å; W596-V681 HydrophobicContact CZ2-CG1 3.82Å; W596-V681 HydrophobicContact CZ2-CG2 4.14Å; W596-V681 HydrophobicContact CZ3-CB 4.31Å; W596-V681 HydrophobicContact CZ3-CG1 4.2Å; W596-V681 HydrophobicContact CZ3-CG2 4.18Å; S678-V681 WeakPolarHBondContact O-CB 3.43Å; S678-V681 VanDerWaalsContact O-CG2 3.29Å; S678-V681 WeakPolarHBondContact O-CG2 3.43Å; S678-V681 PolarHBondContact O-N 3.29Å; S678-V681 VanDerWaalsContact O-N 3.13Å; P679-V681 PolarHBondContact O-N 3.33Å; V681-K711 HydrophobicContact CG1-CB 4.49Å; V681-K711 HydrophobicContact CG1-CG 3.8Å; V681-K711 WeakPolarHBondContact O-CE 3.22Å; V681-C714 HydrophobicContact CB-CB 4.16Å; V681-C714 HydrophobicContact CG1-CB 3.73Å; V681-C714 HydrophobicContact CG2-CB 3.9Å; V681-I715 HydrophobicContact CG1-CG1 4.24Å
682	V	72.3	Confident	69.3	Low	42 Å²	42	75.8 Å²	75.8	26%	0.255	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-97.5	-6	-179.5	-176.5	0	0	0	0	111.9	P679 V680 I715 I718	P679-V682 PolarHBondContact O-N 3.41Å; V680-V682 PolarHBondContact O-N 2.69Å; V682-I715 HydrophobicContact CG2-CG1 4.39Å; V682-I718 HydrophobicContact CG2-CD1 3.57Å
683	Q	65.5	Low	67.2	Low	103 Å²	103	81 Å²	81	48%	0.481	43%	0.426	S	S	.	.			trans	-90	122.3	175.3	-59.1	-179.2	2.5	0	0	108.4	V680 N685	V680-Q683 PolarHBondContact O-N 2.96Å; Q683-N685 PolarHBondContact O-N 3.09Å
684	K	53.1	Low	65.4	Low	139 Å²	139	88 Å²	88	60%	0.604	46%	0.456	S	S	*	.			trans	-78.2	7.5	-179.3	-86.6	-174	169	-178.5	0	113.1	E686 D820	K684-E686 PolarHBondContact O-N 3.04Å; K684-D820 IonicContact NZ-OD1 3.45Å; K684-D820 PolarHBondContact NZ-OD1 3.3Å; K684-D820 IonicContact NZ-OD2 2.72Å; K684-D820 PolarHBondContact NZ-OD2 3.33Å
685	N	44.6	Very low	63.8	Low	93 Å²	93	91.5 Å²	91.5	50%	0.497	47%	0.474	S	S	.	.			trans	-87	96.8	-175	-61.5	29.2	0	0	0	109.2	Q683	Q683-N685 PolarHBondContact O-N 3.09Å
686	E	44.6	Very low	62.4	Low	192 Å²	192	91.6 Å²	91.6	90%	0.897	48%	0.477	S	S	*	.	S	Bend	trans	-72.4	-20.2	168.6	-62.1	-173.5	140	0	0	111.1	K684 A688	K684-E686 PolarHBondContact O-N 3.04Å; E686-A688 VanDerWaalsContact C-N 3.28Å; E686-A688 PolarHBondContact O-N 3.19Å; E686-A688 VanDerWaalsContact O-N 3.16Å
687	D	42.2	Very low	61.3	Low	155 Å²	155	94.4 Å²	94.4	83%	0.829	50%	0.495	S	S	*	.			trans	-84.5	43.2	175.7	-56.1	-66.3	0	0	0	114.1
688	A	45.2	Very low	60.5	Low	73 Å²	73	95.5 Å²	95.5	60%	0.603	50%	0.501	S	S	*	.			trans	-70.1	122	161.1	0	0	0	0	0	107.9	E686 E690	E686-A688 VanDerWaalsContact C-N 3.28Å; E686-A688 PolarHBondContact O-N 3.19Å; E686-A688 VanDerWaalsContact O-N 3.16Å; A688-E690 PolarHBondContact O-N 2.95Å
689	P	41	Very low	59.8	Low	118 Å²	118	96.5 Å²	96.5	77%	0.766	51%	0.507	S	S	*	.			trans	-61.3	131.9	-179.6	24.9	-33.2	0	0	0	109.8	D691	P689-D691 PolarHBondContact O-N 2.89Å
690	E	41.5	Very low	59.3	Low	182 Å²	182	96.9 Å²	96.9	85%	0.85	50%	0.504	S	S	*	.			trans	-66.5	82.1	165.8	-71.3	-164.8	142.9	0	0	108.8	A688 K692	A688-E690 PolarHBondContact O-N 2.95Å; E690-K692 WeakPolarHBondContact O-CG 3.26Å; E690-K692 PolarHBondContact O-N 2.66Å
691	D	46.2	Very low	59.1	Low	120 Å²	120	103 Å²	103	64%	0.642	52%	0.521	S	S	*	.			trans	-62.8	121.6	175.8	-168.4	13.8	0	0	0	108.6	P689 N693	P689-D691 PolarHBondContact O-N 2.89Å; D691-N693 PolarHBondContact O-N 2.69Å; D691-N693 PolarHBondContact OD2-ND2 2.87Å
692	K	46	Very low	59.1	Low	199 Å²	199	103.8 Å²	103.8	87%	0.865	53%	0.525	S	S	*	.			trans	-78.4	25.1	-159.7	-65.7	-177.7	176.8	176.3	0	113.9	E690	E690-K692 WeakPolarHBondContact O-CG 3.26Å; E690-K692 PolarHBondContact O-N 2.66Å
693	N	53.5	Low	59.5	Low	110 Å²	110	102.8 Å²	102.8	59%	0.588	52%	0.518	S	S	*	.	S	Bend	trans	-68	129.7	172.2	-57.4	-45.7	0	0	0	108.9	D691 I695	D691-N693 PolarHBondContact O-N 2.69Å; D691-N693 PolarHBondContact OD2-ND2 2.87Å; N693-I695 PolarHBondContact O-N 2.81Å
694	E	58.8	Low	59.9	Low	177 Å²	177	101.7 Å²	101.7	83%	0.827	52%	0.518	S	S	*	.			trans	-58.4	110.1	-177.3	-62	-166.8	154.7	0	0	111	P696	E694-P696 WeakPolarHBondContact O-CD 3.43Å; E694-P696 VanDerWaalsContact O-N 3.15Å
695	I	62.5	Low	60.8	Low	75 Å²	75	100.4 Å²	100.4	39%	0.385	52%	0.518	S	S	.	.			trans	-65	117.5	-177.1	-58.7	-179.9	0	0	0	108.3	N693 I699 Q700 V704	N693-I695 PolarHBondContact O-N 2.81Å; I695-I699 HydrophobicContact CG2-CB 3.98Å; I695-I699 HydrophobicContact CG2-CG2 3.73Å; I695-Q700 HydrophobicContact CG2-CB 4.27Å; I695-V704 HydrophobicContact CD1-CG2 3.99Å; I695-V704 HydrophobicContact CG2-CG2 4.27Å
696	P	67.7	Low	62.3	Low	32 Å²	32	96.6 Å²	96.6	21%	0.208	50%	0.5	C	S	.	.			trans	-55.2	136.8	-176	-28.1	35.2	0	0	0	110.8	V532 E694 V698 I699 Q700	V532-P696 HydrophobicContact CG1-CB 4.34Å; V532-P696 HydrophobicContact CG1-CG 3.92Å; V532-P696 HydrophobicContact CG2-CB 4.19Å; V532-P696 HydrophobicContact CG2-CG 4.43Å; E694-P696 WeakPolarHBondContact O-CD 3.43Å; E694-P696 VanDerWaalsContact O-N 3.15Å; P696-V698 CarbonylContact O-C 3.55Å; P696-V698 PolarHBondContact O-N 3.05Å; P696-I699 HydrophobicContact CB-CD1 4.38Å; P696-I699 HydrophobicContact CB-CG1 4.31Å; P696-I699 HydrophobicContact CG-CD1 4.09Å; P696-I699 WeakPolarHBondContact O-CA 3.46Å; P696-I699 WeakPolarHBondContact O-CB 3.24Å; P696-I699 PolarHBondContact O-N 3.45Å; P696-Q700 PolarHBondContact O-N 3.29Å
697	P	71.3	Confident	64.2	Low	60 Å²	60	92.7 Å²	92.7	39%	0.39	48%	0.482	S	S	.	.	H	α-helix	trans	-63.8	-14.8	-167	22.2	-34.1	0	0	0	114.4	K535 R701	K535-P697 HydrophobicContact CD-CG 4Å; P697-R701 WeakPolarHBondContact O-CB 3.38Å; P697-R701 WeakPolarHBondContact O-CD 3.34Å; P697-R701 WeakPolarHBondContact O-CG 3.45Å; P697-R701 PolarHBondContact O-N 2.77Å
698	V	76.2	Confident	66.4	Low	25 Å²	25	89.2 Å²	89.2	15%	0.152	47%	0.468	C	S	.	.	H	α-helix	trans	-76.1	-43.9	169.5	177.4	0	0	0	0	111.3	Q531 P696 R701 L702	Q531-V698 HydrophobicContact CB-CG2 4.2Å; P696-V698 CarbonylContact O-C 3.55Å; P696-V698 PolarHBondContact O-N 3.05Å; V698-R701 PolarHBondContact O-N 3.23Å; V698-L702 HydrophobicContact CG1-CD1 3.86Å; V698-L702 HydrophobicContact CG1-CG 4.42Å; V698-L702 WeakPolarHBondContact O-CB 3.43Å; V698-L702 VanDerWaalsContact O-CG 3.31Å; V698-L702 WeakPolarHBondContact O-CG 3.42Å; V698-L702 PolarHBondContact O-N 2.67Å
699	I	76.3	Confident	68.5	Low	22 Å²	22	85.9 Å²	85.9	11%	0.113	44%	0.44	C	S	.	.	H	α-helix	trans	-65.9	-40.5	174.7	-61.7	-174.2	0	0	0	110	V532 I695 P696 R701 L702 I703	V532-I699 HydrophobicContact CG2-CD1 3.88Å; V532-I699 HydrophobicContact CG2-CG1 4.08Å; I695-I699 HydrophobicContact CG2-CB 3.98Å; I695-I699 HydrophobicContact CG2-CG2 3.73Å; P696-I699 HydrophobicContact CB-CD1 4.38Å; P696-I699 HydrophobicContact CB-CG1 4.31Å; P696-I699 HydrophobicContact CG-CD1 4.09Å; P696-I699 WeakPolarHBondContact O-CA 3.46Å; P696-I699 WeakPolarHBondContact O-CB 3.24Å; P696-I699 PolarHBondContact O-N 3.45Å; I699-R701 PolarHBondContact O-N 2.74Å; I699-L702 PolarHBondContact O-N 2.88Å; I699-I703 HydrophobicContact CG2-CD1 3.67Å; I699-I703 HydrophobicContact CG2-CG1 4.25Å; I699-I703 WeakPolarHBondContact O-CB 3.42Å; I699-I703 PolarHBondContact O-N 2.86Å
700	Q	74.6	Confident	70.9	Confident	58 Å²	58	82.7 Å²	82.7	27%	0.271	42%	0.419	S	S	.	.	I	π-helix	trans	-56.7	-49	173.3	-168.8	68.2	17.9	0	0	111.7	I695 P696 V704 N705	I695-Q700 HydrophobicContact CG2-CB 4.27Å; P696-Q700 PolarHBondContact O-N 3.29Å; Q700-V704 VanDerWaalsContact NE2-CG1 3.3Å; Q700-V704 PolarHBondContact O-N 2.74Å; Q700-N705 PolarHBondContact NE2-OD1 3.39Å; Q700-N705 PolarHBondContact O-N 3.42Å; Q700-N705 PolarHBondContact O-OD1 3.13Å
701	R	78.1	Confident	73.1	Confident	188 Å²	188	79 Å²	79	71%	0.709	40%	0.4	S	S	*	.	I	π-helix	trans	-68.1	-38.7	179.4	-74.7	170.3	-175.3	-164	-0.2	113.8	P697 V698 I699	P697-R701 WeakPolarHBondContact O-CB 3.38Å; P697-R701 WeakPolarHBondContact O-CD 3.34Å; P697-R701 WeakPolarHBondContact O-CG 3.45Å; P697-R701 PolarHBondContact O-N 2.77Å; V698-R701 PolarHBondContact O-N 3.23Å; I699-R701 PolarHBondContact O-N 2.74Å
702	L	79.8	Confident	75.1	Confident	16 Å²	16	79.1 Å²	79.1	8%	0.084	40%	0.397	C	S	.	.	I	π-helix	trans	-84.1	-25.2	-175.8	-68	178.3	0	0	0	113.2	T598 L601 Y604 V698 I699	T598-L702 PolarHBondContact OG1-O 3.42Å; L601-L702 HydrophobicContact CD1-CB 4.46Å; L601-L702 HydrophobicContact CD1-CD1 4.19Å; Y604-L702 HydrophobicContact CD1-CD1 4.07Å; Y604-L702 HydrophobicContact CD1-CD2 4.44Å; Y604-L702 HydrophobicContact CD2-CD1 4.47Å; Y604-L702 HydrophobicContact CD2-CD2 3.97Å; Y604-L702 HydrophobicContact CE1-CD1 4.25Å; Y604-L702 HydrophobicContact CG-CD1 4.18Å; Y604-L702 HydrophobicContact CG-CD2 3.78Å; V698-L702 HydrophobicContact CG1-CD1 3.86Å; V698-L702 HydrophobicContact CG1-CG 4.42Å; V698-L702 WeakPolarHBondContact O-CB 3.43Å; V698-L702 VanDerWaalsContact O-CG 3.31Å; V698-L702 WeakPolarHBondContact O-CG 3.42Å; V698-L702 PolarHBondContact O-N 2.67Å; I699-L702 PolarHBondContact O-N 2.88Å
703	I	80.4	Confident	77.3	Confident	21 Å²	21	73.5 Å²	73.5	11%	0.108	37%	0.372	C	S	.	.	I	π-helix	trans	-121.6	-62.2	-172.8	-45.3	-178.4	0	0	0	111.9	L565 K595 T598 I699 N705 G706	L565-I703 HydrophobicContact CD1-CD1 3.33Å; L565-I703 HydrophobicContact CD1-CG1 4.41Å; L565-I703 HydrophobicContact CD2-CD1 3.86Å; L565-I703 HydrophobicContact CD2-CG1 4.35Å; L565-I703 HydrophobicContact CG-CD1 4.24Å; K595-I703 HydrophobicContact CB-CD1 4.12Å; K595-I703 HydrophobicContact CB-CG2 4.36Å; K595-I703 HydrophobicContact CD-CD1 4.48Å; T598-I703 HydrophobicContact CG2-CG2 4.41Å; I699-I703 HydrophobicContact CG2-CD1 3.67Å; I699-I703 HydrophobicContact CG2-CG1 4.25Å; I699-I703 WeakPolarHBondContact O-CB 3.42Å; I699-I703 PolarHBondContact O-N 2.86Å; I703-N705 PolarHBondContact O-N 3.12Å; I703-G706 WeakPolarHBondContact O-CA 3.44Å; I703-G706 PolarHBondContact O-N 3.31Å
704	V	73.6	Confident	79.1	Confident	80 Å²	80	68.3 Å²	68.3	49%	0.485	34%	0.344	S	S	.	.	I	π-helix	trans	-70.2	-37.4	-167.7	-172.7	0	0	0	0	111.8	I695 Q700 G706	I695-V704 HydrophobicContact CD1-CG2 3.99Å; I695-V704 HydrophobicContact CG2-CG2 4.27Å; Q700-V704 VanDerWaalsContact NE2-CG1 3.3Å; Q700-V704 PolarHBondContact O-N 2.74Å; V704-G706 VanDerWaalsContact C-N 3.26Å
705	N	73.5	Confident	80.5	Confident	112 Å²	112	62.1 Å²	62.1	60%	0.599	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	2.9	172.6	-63.4	19.1	0	0	0	112.6	Q700 I703	Q700-N705 PolarHBondContact NE2-OD1 3.39Å; Q700-N705 PolarHBondContact O-N 3.42Å; Q700-N705 PolarHBondContact O-OD1 3.13Å; I703-N705 PolarHBondContact O-N 3.12Å
706	G	75.1	Confident	81.9	Confident	13 Å²	13	63.3 Å²	63.3	13%	0.134	32%	0.319	C	S	.	.	S	Bend	trans	-98	152.2	-171.4	0	0	0	0	0	113.6	E600 I703 V704	E600-G706 VanDerWaalsContact OE2-C 3.32Å; E600-G706 WeakPolarHBondContact OE2-CA 3.25Å; I703-G706 WeakPolarHBondContact O-CA 3.44Å; I703-G706 PolarHBondContact O-N 3.31Å; V704-G706 VanDerWaalsContact C-N 3.26Å
707	H	85.1	Confident	83	Confident	111 Å²	111	62.3 Å²	62.3	51%	0.514	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-78.1	122.4	173.2	-67.3	-59.5	0	0	0	110.1	T598 K599 E600	T598-H707 CarbonylContact C-O 3.6Å; T598-H707 WeakPolarHBondContact CA-O 3.49Å; T598-H707 VanDerWaalsContact CB-O 3.25Å; T598-H707 WeakPolarHBondContact CB-O 3.45Å; K599-H707 HydrophobicContact CB-CB 4.41Å; K599-H707 HydrophobicContact CD-CB 3.62Å; K599-H707 HydrophobicContact CG-CB 3.85Å; K599-H707 PolarHBondContact N-O 2.82Å; E600-H707 IonicContact OE1-CD2 2.87Å; E600-H707 PolarHBondContact OE1-CD2 3.46Å; E600-H707 PolarHBondContact OE2-N 3.39Å
708	P	87.4	Confident	83.9	Confident	81 Å²	81	60.3 Å²	60.3	53%	0.526	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-66.6	148.1	179.5	26.4	-34.1	0	0	0	112.4	W596	W596-P708 HydrophobicContact CG-CB 4.41Å
709	I	90.5	Very high	84.5	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.015	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-71.7	142.1	171.9	-72.6	156.3	0	0	0	110	W596 P597 M630 L676 K711 K713	W596-I709 PolarHBondContact NE1-O 2.75Å; P597-I709 HydrophobicContact CB-CD1 3.74Å; P597-I709 HydrophobicContact CG-CD1 3.82Å; P597-I709 PolarHBondContact O-N 3.44Å; M630-I709 WeakPolarHBondContact O-CG2 3.49Å; L676-I709 HydrophobicContact CB-CD1 4.14Å; I709-K711 PolarHBondContact O-N 3Å; I709-K713 HydrophobicContact CG2-CB 4.23Å
710	P	90.4	Very high	85.2	Confident	51 Å²	51	60.9 Å²	60.9	33%	0.331	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-51.8	130.7	179	-30	36.3	0	0	0	114.1	T629 M630 E712 K713 C714	T629-P710 VanDerWaalsContact O-CD 3.23Å; T629-P710 WeakPolarHBondContact O-CD 3.38Å; M630-P710 HydrophobicContact CE-CG 4.29Å; M630-P710 HydrophobicContact SD-CG 4.28Å; P710-E712 PolarHBondContact O-N 3.17Å; P710-E712 VanDerWaalsContact O-N 3.14Å; P710-K713 PolarHBondContact O-N 3.09Å; P710-C714 PolarHBondContact O-N 3.33Å
711	K	89.2	Confident	85.9	Confident	104 Å²	104	58.7 Å²	58.7	45%	0.452	30%	0.295	S	S	.	.	H	α-helix	trans	-49.7	-42.6	-176.9	-175	167.7	-172.6	169.8	0	112.9	W596 V681 I709 K713 C714 I715	W596-K711 HydrophobicContact CH2-CB 4.34Å; W596-K711 HydrophobicContact CH2-CD 4.23Å; W596-K711 HydrophobicContact CH2-CG 4.22Å; W596-K711 HydrophobicContact CZ2-CB 4.07Å; W596-K711 HydrophobicContact CZ2-CG 4.37Å; V681-K711 HydrophobicContact CG1-CB 4.49Å; V681-K711 HydrophobicContact CG1-CG 3.8Å; V681-K711 WeakPolarHBondContact O-CE 3.22Å; I709-K711 PolarHBondContact O-N 3Å; K711-K713 PolarHBondContact O-N 3.18Å; K711-C714 PolarHBondContact O-N 2.68Å; K711-I715 HydrophobicContact CD-CD1 4.47Å; K711-I715 HydrophobicContact CG-CD1 3.76Å; K711-I715 HydrophobicContact CG-CG1 4.4Å; K711-I715 WeakPolarHBondContact O-CG1 3.24Å; K711-I715 PolarHBondContact O-N 3.14Å
712	E	88.4	Confident	86.4	Confident	124 Å²	124	50.7 Å²	50.7	58%	0.579	27%	0.266	S	S	*	.	H	α-helix	trans	-58	-42	177.1	-68.3	179.8	-130	0	0	114.4	P710 I715 K716	P710-E712 PolarHBondContact O-N 3.17Å; P710-E712 VanDerWaalsContact O-N 3.14Å; E712-I715 PolarHBondContact O-N 2.79Å; E712-K716 WeakPolarHBondContact O-CB 3.2Å; E712-K716 VanDerWaalsContact O-CG 3.26Å; E712-K716 WeakPolarHBondContact O-CG 3.21Å; E712-K716 PolarHBondContact O-N 3.17Å; E712-K716 IonicContact OE2-NZ 2.74Å; E712-K716 PolarHBondContact OE2-NZ 3.21Å; E712-K716 VanDerWaalsContact OE2-NZ 3.16Å
713	K	90.2	Very high	86.8	Confident	81 Å²	81	51.3 Å²	51.3	35%	0.352	27%	0.269	S	S	.	.	H	α-helix	trans	-69.4	-40.7	-177.8	-73.3	-80.6	-175.5	150.9	0	110.5	M630 I709 P710 K711 S717	M630-K713 HydrophobicContact CB-CD 4.38Å; M630-K713 HydrophobicContact SD-CD 4.25Å; M630-K713 VanDerWaalsContact SD-CE 3.52Å; M630-K713 HydrophobicContact SD-CG 3.97Å; I709-K713 HydrophobicContact CG2-CB 4.23Å; P710-K713 PolarHBondContact O-N 3.09Å; K711-K713 PolarHBondContact O-N 3.18Å; K713-S717 WeakPolarHBondContact O-CB 2.91Å; K713-S717 PolarHBondContact O-N 3.15Å; K713-S717 VanDerWaalsContact O-N 3.1Å; K713-S717 PolarHBondContact O-OG 3.46Å
714	C	91.4	Very high	87.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-47.1	172.3	-68.8	0	0	0	0	111.8	T677 V681 P710 K711 S717 I718	T677-C714 VanDerWaalsContact OG1-CA 3.31Å; T677-C714 WeakPolarHBondContact OG1-CA 3.38Å; T677-C714 WeakPolarHBondContact OG1-CB 3.26Å; T677-C714 PolarHBondContact OG1-O 2.99Å; V681-C714 HydrophobicContact CB-CB 4.16Å; V681-C714 HydrophobicContact CG1-CB 3.73Å; V681-C714 HydrophobicContact CG2-CB 3.9Å; P710-C714 PolarHBondContact O-N 3.33Å; K711-C714 PolarHBondContact O-N 2.68Å; C714-S717 WeakPolarHBondContact O-CB 3.39Å; C714-S717 PolarHBondContact O-N 3.12Å; C714-I718 WeakPolarHBondContact O-CG1 3.44Å; C714-I718 PolarHBondContact O-N 3.33Å; C714-I718 VanDerWaalsContact O-N 3.09Å
715	I	89.6	Confident	87.9	Confident	47 Å²	47	49.1 Å²	49.1	24%	0.241	26%	0.259	C	S	.	.	H	α-helix	trans	-62.7	-50.7	178	-70	172.9	0	0	0	111	V681 V682 K711 E712 S717 I718 D719	V681-I715 HydrophobicContact CG1-CG1 4.24Å; V682-I715 HydrophobicContact CG2-CG1 4.39Å; K711-I715 HydrophobicContact CD-CD1 4.47Å; K711-I715 HydrophobicContact CG-CD1 3.76Å; K711-I715 HydrophobicContact CG-CG1 4.4Å; K711-I715 WeakPolarHBondContact O-CG1 3.24Å; K711-I715 PolarHBondContact O-N 3.14Å; E712-I715 PolarHBondContact O-N 2.79Å; I715-S717 PolarHBondContact O-N 2.94Å; I715-S717 VanDerWaalsContact O-N 3.11Å; I715-I718 CarbonylContact O-C 3.58Å; I715-I718 WeakPolarHBondContact O-CA 3.47Å; I715-I718 PolarHBondContact O-N 3.49Å; I715-D719 WeakPolarHBondContact CG2-OD2 3.28Å; I715-D719 PolarHBondContact O-N 3.37Å
716	K	90.6	Very high	88.6	Confident	101 Å²	101	45 Å²	45	44%	0.439	24%	0.235	S	C	.	.	H	α-helix	trans	-56.2	-31.1	176.9	-73.6	165.8	179.7	164.5	0	112.5	E712 A720	E712-K716 WeakPolarHBondContact O-CB 3.2Å; E712-K716 VanDerWaalsContact O-CG 3.26Å; E712-K716 WeakPolarHBondContact O-CG 3.21Å; E712-K716 PolarHBondContact O-N 3.17Å; E712-K716 IonicContact OE2-NZ 2.74Å; E712-K716 PolarHBondContact OE2-NZ 3.21Å; E712-K716 VanDerWaalsContact OE2-NZ 3.16Å; K716-A720 WeakPolarHBondContact O-CB 3.37Å; K716-A720 PolarHBondContact O-N 2.96Å
717	S	92	Very high	89.3	Confident	11 Å²	11	44.4 Å²	44.4	8%	0.077	23%	0.228	C	C	.	.	H	α-helix	trans	-75.9	-30.2	174.7	-56.1	0	0	0	0	113.6	N675 K713 C714 I715 L721	N675-S717 WeakPolarHBondContact CB-OG 3.48Å; K713-S717 WeakPolarHBondContact O-CB 2.91Å; K713-S717 PolarHBondContact O-N 3.15Å; K713-S717 VanDerWaalsContact O-N 3.1Å; K713-S717 PolarHBondContact O-OG 3.46Å; C714-S717 WeakPolarHBondContact O-CB 3.39Å; C714-S717 PolarHBondContact O-N 3.12Å; I715-S717 PolarHBondContact O-N 2.94Å; I715-S717 VanDerWaalsContact O-N 3.11Å; S717-L721 PolarHBondContact O-N 3.12Å
718	I	90.3	Very high	89.4	Confident	17 Å²	17	40.9 Å²	40.9	9%	0.087	21%	0.212	C	C	.	.	H	α-helix	trans	-76.2	-38.6	172.6	-63.9	163.7	0	0	0	109.9	T677 V682 C714 I715 A720 L721 D722	T677-I718 HydrophobicContact CG2-CG1 3.79Å; T677-I718 WeakPolarHBondContact OG1-CD1 3.34Å; T677-I718 WeakPolarHBondContact OG1-CG1 3.34Å; V682-I718 HydrophobicContact CG2-CD1 3.57Å; C714-I718 WeakPolarHBondContact O-CG1 3.44Å; C714-I718 PolarHBondContact O-N 3.33Å; C714-I718 VanDerWaalsContact O-N 3.09Å; I715-I718 CarbonylContact O-C 3.58Å; I715-I718 WeakPolarHBondContact O-CA 3.47Å; I715-I718 PolarHBondContact O-N 3.49Å; I718-A720 VanDerWaalsContact C-N 3.34Å; I718-A720 PolarHBondContact O-N 3.49Å; I718-L721 WeakPolarHBondContact O-CA 3.39Å; I718-L721 VanDerWaalsContact O-CB 3.3Å; I718-L721 WeakPolarHBondContact O-CB 3.47Å; I718-L721 PolarHBondContact O-N 2.94Å; I718-L721 VanDerWaalsContact O-N 3.07Å; I718-D722 PolarHBondContact O-N 2.8Å
719	D	88.9	Confident	89.2	Confident	33 Å²	33	44.1 Å²	44.1	18%	0.176	22%	0.22	C	C	.	.	H	α-helix	trans	-61.9	-43.2	174.2	-60.4	-27.8	0	0	0	110.7	I715 L721 D722 H723 R823	I715-D719 WeakPolarHBondContact CG2-OD2 3.28Å; I715-D719 PolarHBondContact O-N 3.37Å; D719-L721 PolarHBondContact O-N 3.46Å; D719-D722 PolarHBondContact O-N 3.29Å; D719-H723 VanDerWaalsContact O-CB 3.24Å; D719-H723 WeakPolarHBondContact O-CB 3.13Å; D719-H723 PolarHBondContact O-CD2 3.08Å; D719-H723 PolarHBondContact O-N 3.24Å; D719-H723 PolarHBondContact O-ND1 3.09Å; D719-R823 IonicContact OD1-CZ 2.65Å; D719-R823 VanDerWaalsContact OD1-CZ 3.3Å; D719-R823 IonicContact OD1-NH1 3.08Å; D719-R823 PolarHBondContact OD1-NH1 3.1Å; D719-R823 IonicContact OD1-NH2 2.59Å; D719-R823 PolarHBondContact OD1-NH2 3.41Å
720	A	90.5	Very high	88.9	Confident	26 Å²	26	45.2 Å²	45.2	22%	0.215	23%	0.226	C	C	.	.	H	α-helix	trans	-60.5	-30.6	173.1	0	0	0	0	0	114	V572 K716 I718 A724	V572-A720 HydrophobicContact CB-CB 4.36Å; V572-A720 HydrophobicContact CG2-CB 4.32Å; K716-A720 WeakPolarHBondContact O-CB 3.37Å; K716-A720 PolarHBondContact O-N 2.96Å; I718-A720 VanDerWaalsContact C-N 3.34Å; I718-A720 PolarHBondContact O-N 3.49Å; A720-A724 WeakPolarHBondContact O-CB 3.39Å; A720-A724 PolarHBondContact O-N 3.15Å
721	L	90.2	Very high	88.6	Confident	12 Å²	12	44 Å²	44	6%	0.063	22%	0.218	C	C	.	.	H	α-helix	trans	-73	-49.5	174.9	-179.7	69.9	0	0	0	111.3	V570 V572 I592 S717 I718 D719 H723 A724 S725	V570-L721 HydrophobicContact CB-CD1 3.58Å; V570-L721 HydrophobicContact CG1-CD1 3.5Å; V570-L721 VanDerWaalsContact CG1-CD1 3.5Å; V570-L721 HydrophobicContact CG2-CD1 3.89Å; V572-L721 HydrophobicContact CG1-CB 4.41Å; V572-L721 HydrophobicContact CG1-CD1 4.25Å; I592-L721 HydrophobicContact CD1-CD2 3.83Å; S717-L721 PolarHBondContact O-N 3.12Å; I718-L721 WeakPolarHBondContact O-CA 3.39Å; I718-L721 VanDerWaalsContact O-CB 3.3Å; I718-L721 WeakPolarHBondContact O-CB 3.47Å; I718-L721 PolarHBondContact O-N 2.94Å; I718-L721 VanDerWaalsContact O-N 3.07Å; D719-L721 PolarHBondContact O-N 3.46Å; L721-H723 VanDerWaalsContact C-N 3.34Å; L721-H723 PolarHBondContact O-N 3.11Å; L721-A724 PolarHBondContact O-N 3.41Å; L721-S725 PolarHBondContact O-N 2.98Å
722	D	87.6	Confident	87.9	Confident	20 Å²	20	43.7 Å²	43.7	11%	0.107	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-42.3	177.6	-68.1	-15	0	0	0	110.7	I718 D719 A724 S725 W726 R823 P828	I718-D722 PolarHBondContact O-N 2.8Å; D719-D722 PolarHBondContact O-N 3.29Å; D722-A724 PolarHBondContact O-N 2.79Å; D722-S725 PolarHBondContact O-N 2.82Å; D722-W726 WeakPolarHBondContact O-CB 3.27Å; D722-W726 PolarHBondContact O-N 3.02Å; D722-R823 IonicContact OD2-CZ 2.67Å; D722-R823 IonicContact OD2-NH1 3.3Å; D722-R823 PolarHBondContact OD2-NH1 3.33Å; D722-P828 HydrophobicContact CB-CB 4.3Å; D722-P828 HydrophobicContact CB-CG 4.07Å
723	H	88.7	Confident	86.7	Confident	30 Å²	30	41.5 Å²	41.5	14%	0.139	24%	0.239	C	C	.	.	H	α-helix	trans	-60.1	-42.1	175.3	-66.6	171.1	0	0	0	112.4	D719 L721 F727 F759	D719-H723 VanDerWaalsContact O-CB 3.24Å; D719-H723 WeakPolarHBondContact O-CB 3.13Å; D719-H723 PolarHBondContact O-CD2 3.08Å; D719-H723 PolarHBondContact O-N 3.24Å; D719-H723 PolarHBondContact O-ND1 3.09Å; L721-H723 VanDerWaalsContact C-N 3.34Å; L721-H723 PolarHBondContact O-N 3.11Å; H723-F727 VanDerWaalsContact O-CB 3.23Å; H723-F727 WeakPolarHBondContact O-CB 3.49Å; H723-F727 PolarHBondContact O-N 3.31Å; H723-F759 HydrophobicContact CB-CD2 3.63Å; H723-F759 HydrophobicContact CB-CE2 3.51Å; H723-F759 HydrophobicContact CB-CG 4.42Å; H723-F759 HydrophobicContact CB-CZ 4.26Å; H723-F759 AromaticContact CD2-CD2 3.94Å; H723-F759 AromaticContact CD2-CE1 3.56Å; H723-F759 AromaticContact CD2-CE2 3.46Å; H723-F759 VanDerWaalsContact CD2-CE2 3.46Å; H723-F759 WeakPolarHBondContact CD2-CE2 3.37Å; H723-F759 AromaticContact CD2-CZ 3.26Å; H723-F759 WeakPolarHBondContact CD2-CZ 3.49Å; H723-F759 AromaticContact CE1-CD1 3.74Å; H723-F759 AromaticContact CE1-CE1 3.96Å; H723-F759 AromaticContact CE1-CG 3.95Å; H723-F759 AromaticContact CG-CD2 3.5Å; H723-F759 VanDerWaalsContact CG-CD2 3.5Å; H723-F759 AromaticContact CG-CE2 3.4Å; H723-F759 VanDerWaalsContact CG-CE2 3.4Å; H723-F759 AromaticContact CG-CG 3.86Å; H723-F759 AromaticContact CG-CZ 3.73Å; H723-F759 AromaticContact ND1-CD1 3.97Å; H723-F759 AromaticContact ND1-CD2 3.81Å; H723-F759 AromaticContact ND1-CG 3.7Å; H723-F759 AromaticContact NE2-CD1 3.77Å; H723-F759 AromaticContact NE2-CE1 3.5Å; H723-F759 AromaticContact NE2-CZ 3.74Å
724	A	89.5	Confident	86.1	Confident	3 Å²	3	38.6 Å²	38.6	3%	0.025	23%	0.232	C	C	.	.	H	α-helix	trans	-68.4	-43.3	177.4	0	0	0	0	0	111.7	V572 A720 L721 D722 F727 Q728	V572-A724 HydrophobicContact CG1-CB 4.48Å; A720-A724 WeakPolarHBondContact O-CB 3.39Å; A720-A724 PolarHBondContact O-N 3.15Å; L721-A724 PolarHBondContact O-N 3.41Å; D722-A724 PolarHBondContact O-N 2.79Å; A724-F727 PolarHBondContact O-N 2.81Å; A724-Q728 WeakPolarHBondContact O-CG 3.33Å; A724-Q728 PolarHBondContact O-N 2.79Å; A724-Q728 VanDerWaalsContact O-N 3.1Å
725	S	86.6	Confident	85.9	Confident	52 Å²	52	38.9 Å²	38.9	36%	0.364	23%	0.234	S	C	.	.	H	α-helix	trans	-61.3	-49.8	177.6	-172	0	0	0	0	112.1	L721 D722 F727 Q728 H729	L721-S725 PolarHBondContact O-N 2.98Å; D722-S725 PolarHBondContact O-N 2.82Å; S725-F727 PolarHBondContact O-N 2.72Å; S725-Q728 PolarHBondContact O-N 2.81Å; S725-H729 PolarHBondContact O-N 2.82Å
726	W	88.7	Confident	86	Confident	25 Å²	25	36.7 Å²	36.7	10%	0.095	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-43	176.1	169.1	89.3	0	0	0	112	D722 Q728 H729 I730 F759 E762 V763 D766 P828	D722-W726 WeakPolarHBondContact O-CB 3.27Å; D722-W726 PolarHBondContact O-N 3.02Å; W726-Q728 PolarHBondContact O-N 2.88Å; W726-H729 WeakPolarHBondContact O-CB 3.47Å; W726-H729 PolarHBondContact O-N 2.7Å; W726-H729 VanDerWaalsContact O-N 3.09Å; W726-I730 HydrophobicContact CE3-CD1 4.28Å; W726-I730 HydrophobicContact CH2-CD1 3.33Å; W726-I730 HydrophobicContact CH2-CG1 4.38Å; W726-I730 HydrophobicContact CZ2-CD1 3.63Å; W726-I730 HydrophobicContact CZ2-CG1 4.43Å; W726-I730 HydrophobicContact CZ2-CG2 4.24Å; W726-I730 HydrophobicContact CZ3-CD1 3.71Å; W726-I730 HydrophobicContact CZ3-CG1 4.48Å; W726-I730 PolarHBondContact O-N 3.31Å; W726-I730 VanDerWaalsContact O-N 3.13Å; W726-F759 HydrophobicContact CD2-CE2 4.42Å; W726-F759 HydrophobicContact CD2-CZ 4.5Å; W726-F759 AromaticContact CE3-CE2 3.48Å; W726-F759 HydrophobicContact CE3-CE2 3.48Å; W726-F759 VanDerWaalsContact CE3-CE2 3.48Å; W726-F759 AromaticContact CE3-CZ 3.92Å; W726-F759 HydrophobicContact CE3-CZ 3.92Å; W726-F759 HydrophobicContact CZ3-CD2 4.29Å; W726-F759 AromaticContact CZ3-CE2 3.52Å; W726-F759 HydrophobicContact CZ3-CE2 3.52Å; W726-F759 AromaticContact CZ3-CZ 4Å; W726-F759 HydrophobicContact CZ3-CZ 4Å; W726-E762 HydrophobicContact CH2-CB 4.4Å; W726-E762 HydrophobicContact CZ3-CB 4.21Å; W726-V763 HydrophobicContact CH2-CB 4.24Å; W726-V763 HydrophobicContact CH2-CG2 3.62Å; W726-V763 HydrophobicContact CZ2-CG2 4.04Å; W726-V763 HydrophobicContact CZ3-CG2 4.08Å; W726-D766 HydrophobicContact CH2-CB 4.42Å; W726-D766 HydrophobicContact CZ2-CB 4.14Å; W726-P828 HydrophobicContact CB-CG 4.06Å; W726-P828 HydrophobicContact CG-CG 4.34Å
727	F	90.3	Very high	86.1	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.2	-37.5	-178.8	-169.4	-99.6	0	0	0	112.5	K577 L579 H723 A724 S725 H729 I730 T731 I736 L737 E762	K577-F727 HydrophobicContact CB-CD1 3.51Å; K577-F727 HydrophobicContact CB-CE1 3.89Å; K577-F727 HydrophobicContact CB-CG 4.26Å; K577-F727 HydrophobicContact CD-CB 4.23Å; K577-F727 HydrophobicContact CD-CD1 4.06Å; K577-F727 HydrophobicContact CD-CD2 4.5Å; K577-F727 HydrophobicContact CD-CG 4Å; K577-F727 HydrophobicContact CG-CB 4Å; K577-F727 HydrophobicContact CG-CD1 3.74Å; K577-F727 HydrophobicContact CG-CE1 4.48Å; K577-F727 HydrophobicContact CG-CG 3.98Å; K577-F727 WeakPolarHBondContact O-CE1 3.4Å; L579-F727 HydrophobicContact CD1-CE1 3.81Å; L579-F727 HydrophobicContact CD1-CE2 4.36Å; L579-F727 HydrophobicContact CD1-CZ 3.68Å; L579-F727 HydrophobicContact CD2-CE1 4.27Å; L579-F727 HydrophobicContact CD2-CZ 4.21Å; L579-F727 HydrophobicContact CG-CE1 3.87Å; L579-F727 HydrophobicContact CG-CZ 4.09Å; H723-F727 VanDerWaalsContact O-CB 3.23Å; H723-F727 WeakPolarHBondContact O-CB 3.49Å; H723-F727 PolarHBondContact O-N 3.31Å; A724-F727 PolarHBondContact O-N 2.81Å; S725-F727 PolarHBondContact O-N 2.72Å; F727-H729 VanDerWaalsContact C-N 3.3Å; F727-H729 PolarHBondContact O-N 2.78Å; F727-I730 HydrophobicContact CD2-CD1 4.04Å; F727-I730 HydrophobicContact CD2-CG1 4.35Å; F727-I730 HydrophobicContact CE2-CD1 4.39Å; F727-I730 WeakPolarHBondContact O-CG1 3.35Å; F727-T731 HydrophobicContact CD1-CG2 3.88Å; F727-T731 HydrophobicContact CD2-CG2 4.34Å; F727-T731 HydrophobicContact CE1-CG2 3.42Å; F727-T731 VanDerWaalsContact CE1-CG2 3.42Å; F727-T731 HydrophobicContact CE2-CG2 3.9Å; F727-T731 HydrophobicContact CG-CG2 4.33Å; F727-T731 HydrophobicContact CZ-CG2 3.42Å; F727-T731 VanDerWaalsContact CZ-CG2 3.42Å; F727-T731 WeakPolarHBondContact O-CB 3.48Å; F727-T731 WeakPolarHBondContact O-CG2 3.06Å; F727-T731 PolarHBondContact O-N 3.24Å; F727-T731 VanDerWaalsContact O-N 3.07Å; F727-T731 PolarHBondContact O-OG1 3.04Å; F727-I736 HydrophobicContact CE2-CG2 4.02Å; F727-I736 HydrophobicContact CZ-CG2 4.38Å; F727-L737 HydrophobicContact CE1-CD1 3.87Å; F727-L737 HydrophobicContact CZ-CD1 4.37Å; F727-E762 HydrophobicContact CD2-CB 4.07Å; F727-E762 HydrophobicContact CD2-CG 4.01Å; F727-E762 VanDerWaalsContact CD2-OE2 3.22Å; F727-E762 WeakPolarHBondContact CD2-OE2 3.4Å; F727-E762 HydrophobicContact CE2-CB 3.92Å; F727-E762 HydrophobicContact CE2-CG 3.6Å; F727-E762 HydrophobicContact CZ-CG 4.46Å
728	Q	86	Confident	86	Confident	37 Å²	37	34.3 Å²	34.3	17%	0.173	21%	0.213	C	C	.	.	H	α-helix	trans	-62.7	-36.5	172.9	-71.8	177.2	7.9	0	0	112.3	G576 A724 S725 W726 T731 S732	G576-Q728 PolarHBondContact O-NE2 3.36Å; A724-Q728 WeakPolarHBondContact O-CG 3.33Å; A724-Q728 PolarHBondContact O-N 2.79Å; A724-Q728 VanDerWaalsContact O-N 3.1Å; S725-Q728 PolarHBondContact O-N 2.81Å; W726-Q728 PolarHBondContact O-N 2.88Å; Q728-T731 PolarHBondContact O-OG1 3.5Å; Q728-S732 PolarHBondContact O-OG 3.16Å
729	H	84.5	Confident	86.2	Confident	149 Å²	149	33.5 Å²	33.5	69%	0.69	21%	0.209	S	C	*	.	H	α-helix	trans	-64.8	-51	177	-173.1	-90.4	0	0	0	111.8	S725 W726 F727 T731	S725-H729 PolarHBondContact O-N 2.82Å; W726-H729 WeakPolarHBondContact O-CB 3.47Å; W726-H729 PolarHBondContact O-N 2.7Å; W726-H729 VanDerWaalsContact O-N 3.09Å; F727-H729 VanDerWaalsContact C-N 3.3Å; F727-H729 PolarHBondContact O-N 2.78Å; H729-T731 PolarHBondContact O-N 3.43Å
730	I	83.8	Confident	86.5	Confident	27 Å²	27	32.2 Å²	32.2	14%	0.138	20%	0.203	C	C	.	.	H	α-helix	trans	-71.4	-27.4	-178.1	62	160.2	0	0	0	113.8	W726 F727 S732 I736 D766	W726-I730 HydrophobicContact CE3-CD1 4.28Å; W726-I730 HydrophobicContact CH2-CD1 3.33Å; W726-I730 HydrophobicContact CH2-CG1 4.38Å; W726-I730 HydrophobicContact CZ2-CD1 3.63Å; W726-I730 HydrophobicContact CZ2-CG1 4.43Å; W726-I730 HydrophobicContact CZ2-CG2 4.24Å; W726-I730 HydrophobicContact CZ3-CD1 3.71Å; W726-I730 HydrophobicContact CZ3-CG1 4.48Å; W726-I730 PolarHBondContact O-N 3.31Å; W726-I730 VanDerWaalsContact O-N 3.13Å; F727-I730 HydrophobicContact CD2-CD1 4.04Å; F727-I730 HydrophobicContact CD2-CG1 4.35Å; F727-I730 HydrophobicContact CE2-CD1 4.39Å; F727-I730 WeakPolarHBondContact O-CG1 3.35Å; I730-S732 VanDerWaalsContact C-N 3.33Å; I730-S732 PolarHBondContact O-N 3.5Å; I730-I736 HydrophobicContact CB-CD1 4.35Å; I730-I736 HydrophobicContact CD1-CD1 3.98Å; I730-I736 HydrophobicContact CD1-CG2 4.19Å; I730-I736 HydrophobicContact CG1-CD1 4.49Å; I730-D766 HydrophobicContact CD1-CB 3.92Å
731	T	84.8	Confident	86.6	Confident	26 Å²	26	31.6 Å²	31.6	16%	0.16	20%	0.195	C	C	.	.	H	α-helix	trans	-82.5	-6.1	-178.6	50.7	0	0	0	0	114.8	F727 Q728 H729 G733 I736 L737	F727-T731 HydrophobicContact CD1-CG2 3.88Å; F727-T731 HydrophobicContact CD2-CG2 4.34Å; F727-T731 HydrophobicContact CE1-CG2 3.42Å; F727-T731 VanDerWaalsContact CE1-CG2 3.42Å; F727-T731 HydrophobicContact CE2-CG2 3.9Å; F727-T731 HydrophobicContact CG-CG2 4.33Å; F727-T731 HydrophobicContact CZ-CG2 3.42Å; F727-T731 VanDerWaalsContact CZ-CG2 3.42Å; F727-T731 WeakPolarHBondContact O-CB 3.48Å; F727-T731 WeakPolarHBondContact O-CG2 3.06Å; F727-T731 PolarHBondContact O-N 3.24Å; F727-T731 VanDerWaalsContact O-N 3.07Å; F727-T731 PolarHBondContact O-OG1 3.04Å; Q728-T731 PolarHBondContact O-OG1 3.5Å; H729-T731 PolarHBondContact O-N 3.43Å; T731-G733 PolarHBondContact O-N 3.28Å; T731-I736 HydrophobicContact CG2-CB 4.28Å; T731-I736 HydrophobicContact CG2-CG2 4.16Å; T731-L737 HydrophobicContact CG2-CB 3.8Å; T731-L737 HydrophobicContact CG2-CD1 4.34Å
732	S	72.5	Confident	86.9	Confident	97 Å²	97	31.1 Å²	31.1	68%	0.678	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-5.2	-171.8	-74.5	0	0	0	0	116.3	Q728 I730	Q728-S732 PolarHBondContact O-OG 3.16Å; I730-S732 VanDerWaalsContact C-N 3.33Å; I730-S732 PolarHBondContact O-N 3.5Å
733	G	65.1	Low	87.3	Confident	78 Å²	78	30.2 Å²	30.2	80%	0.804	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-163.7	16	176.3	0	0	0	0	0	116.9	T731	T731-G733 PolarHBondContact O-N 3.28Å
734	G	76.2	Confident	87.5	Confident	19 Å²	19	29.5 Å²	29.5	20%	0.196	18%	0.184	C	C	.	.	S	Bend	trans	-128.5	167.8	-169.8	0	0	0	0	0	115.2	I736	G734-I736 PolarHBondContact O-N 3.42Å; G734-I736 VanDerWaalsContact O-N 3.14Å
735	P	88.2	Confident	87.8	Confident	6 Å²	6	29.9 Å²	29.9	4%	0.039	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-4	178.8	29.2	-34.9	0	0	0	114.2	L737 L738 I739 F787 P789 L792	P735-L737 PolarHBondContact O-N 2.9Å; P735-L738 PolarHBondContact O-N 3.2Å; P735-I739 PolarHBondContact O-N 2.9Å; P735-I739 VanDerWaalsContact O-N 3.09Å; P735-F787 HydrophobicContact CG-CB 4.34Å; P735-F787 HydrophobicContact CG-CD1 4.09Å; P735-P789 HydrophobicContact CB-CB 4.09Å; P735-L792 HydrophobicContact CG-CD2 4.25Å
736	I	91.2	Very high	88.2	Confident	1 Å²	1	28 Å²	28	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-53.8	-55	-176.7	-59.6	-178	0	0	0	111.1	F727 I730 T731 G734 L738 I739 S740 D766 L769 L792	F727-I736 HydrophobicContact CE2-CG2 4.02Å; F727-I736 HydrophobicContact CZ-CG2 4.38Å; I730-I736 HydrophobicContact CB-CD1 4.35Å; I730-I736 HydrophobicContact CD1-CD1 3.98Å; I730-I736 HydrophobicContact CD1-CG2 4.19Å; I730-I736 HydrophobicContact CG1-CD1 4.49Å; T731-I736 HydrophobicContact CG2-CB 4.28Å; T731-I736 HydrophobicContact CG2-CG2 4.16Å; G734-I736 PolarHBondContact O-N 3.42Å; G734-I736 VanDerWaalsContact O-N 3.14Å; I736-L738 PolarHBondContact O-N 3.05Å; I736-L738 VanDerWaalsContact O-N 3.12Å; I736-I739 CarbonylContact O-C 3.5Å; I736-I739 PolarHBondContact O-N 3.31Å; I736-S740 WeakPolarHBondContact O-CB 3.26Å; I736-S740 PolarHBondContact O-N 3.45Å; I736-S740 PolarHBondContact O-OG 2.95Å; I736-D766 HydrophobicContact CD1-CB 4.11Å; I736-L769 HydrophobicContact CD1-CD2 3.8Å; I736-L769 HydrophobicContact CG1-CD2 3.81Å; I736-L792 HydrophobicContact CG1-CD2 4.29Å
737	L	92	Very high	88.4	Confident	41 Å²	41	27 Å²	27	22%	0.215	17%	0.167	C	C	.	.	H	α-helix	trans	-52.2	-42.5	-176.9	-178.2	66.7	0	0	0	113	N578 L579 F727 T731 P735 R741	N578-L737 HydrophobicContact CB-CD1 4.45Å; L579-L737 HydrophobicContact CD2-CD1 3.81Å; L579-L737 HydrophobicContact CG-CD1 4.41Å; F727-L737 HydrophobicContact CE1-CD1 3.87Å; F727-L737 HydrophobicContact CZ-CD1 4.37Å; T731-L737 HydrophobicContact CG2-CB 3.8Å; T731-L737 HydrophobicContact CG2-CD1 4.34Å; P735-L737 PolarHBondContact O-N 2.9Å; L737-R741 WeakPolarHBondContact O-CB 3.23Å; L737-R741 PolarHBondContact O-N 3.4Å; L737-R741 VanDerWaalsContact O-N 3.13Å
738	L	91.6	Very high	88.5	Confident	22 Å²	22	29.5 Å²	29.5	12%	0.115	18%	0.179	C	C	.	.	H	α-helix	trans	-74.1	-34.2	-178.3	170.6	144.5	0	0	0	112.1	I130 I493 H497 P735 I736 I742 P789	I130-L738 HydrophobicContact CD1-CD1 4.15Å; I493-L738 HydrophobicContact CG2-CD2 3.66Å; H497-L738 HydrophobicContact CB-CD1 4.25Å; H497-L738 HydrophobicContact CB-CG 4.34Å; H497-L738 VanDerWaalsContact CD2-CG 3.47Å; H497-L738 WeakPolarHBondContact CD2-CG 3.49Å; P735-L738 PolarHBondContact O-N 3.2Å; I736-L738 PolarHBondContact O-N 3.05Å; I736-L738 VanDerWaalsContact O-N 3.12Å; L738-I742 HydrophobicContact CD2-CD1 4.44Å; L738-I742 WeakPolarHBondContact O-CG1 3.45Å; L738-I742 PolarHBondContact O-N 2.82Å; L738-P789 HydrophobicContact CD2-CB 3.63Å; L738-P789 HydrophobicContact CD2-CG 4.3Å
739	I	94.1	Very high	88.7	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-79.9	-39.9	176.6	-67	-57	0	0	0	112	I493 P735 I736 R741 I742 L743 L765 P789 L792 L793	I493-I739 HydrophobicContact CD1-CD1 3.95Å; P735-I739 PolarHBondContact O-N 2.9Å; P735-I739 VanDerWaalsContact O-N 3.09Å; I736-I739 CarbonylContact O-C 3.5Å; I736-I739 PolarHBondContact O-N 3.31Å; I739-R741 VanDerWaalsContact C-N 3.31Å; I739-R741 PolarHBondContact O-N 3.49Å; I739-I742 HydrophobicContact CD1-CD1 4.46Å; I739-I742 PolarHBondContact O-N 3.16Å; I739-I742 VanDerWaalsContact O-N 3.16Å; I739-L743 HydrophobicContact CG2-CD1 3.8Å; I739-L743 HydrophobicContact CG2-CG 4.27Å; I739-L743 WeakPolarHBondContact O-CB 3.37Å; I739-L743 PolarHBondContact O-N 3.31Å; I739-L765 HydrophobicContact CG2-CD1 4.14Å; I739-L765 HydrophobicContact CG2-CD2 3.79Å; I739-P789 HydrophobicContact CD1-CB 3.97Å; I739-P789 WeakPolarHBondContact CD1-O 3.44Å; I739-P789 HydrophobicContact CG1-CB 4.15Å; I739-L792 HydrophobicContact CB-CD2 4.16Å; I739-L792 HydrophobicContact CG1-CB 4.3Å; I739-L792 HydrophobicContact CG1-CD2 4.21Å; I739-L792 HydrophobicContact CG2-CD2 4.27Å; I739-L792 HydrophobicContact CG2-CG 4.35Å; I739-L793 HydrophobicContact CD1-CB 4.04Å; I739-L793 HydrophobicContact CG2-CD1 4.24Å
740	S	93.9	Very high	89.1	Confident	6 Å²	6	26.3 Å²	26.3	4%	0.042	17%	0.174	C	C	.	.	H	α-helix	trans	-56.1	-44.5	170.5	-64.3	0	0	0	0	111.1	I736 I742 L743 R744 L765	I736-S740 WeakPolarHBondContact O-CB 3.26Å; I736-S740 PolarHBondContact O-N 3.45Å; I736-S740 PolarHBondContact O-OG 2.95Å; S740-I742 VanDerWaalsContact C-N 3.34Å; S740-I742 PolarHBondContact O-N 3.1Å; S740-L743 PolarHBondContact O-N 2.7Å; S740-R744 WeakPolarHBondContact O-CB 3.49Å; S740-R744 PolarHBondContact O-N 3.43Å; S740-L765 WeakPolarHBondContact OG-CD1 3.46Å
741	R	94.2	Very high	89.3	Confident	13 Å²	13	33.5 Å²	33.5	5%	0.049	21%	0.207	C	C	.	.	H	α-helix	trans	-61.2	-39.6	176.2	-171.6	178.3	-74.7	123.3	-3.2	112.7	H497 L500 N578 L579 L581 L737 I739 D745	H497-R741 PolarHBondContact NE2-NH1 3.4Å; L500-R741 HydrophobicContact CB-CG 4.4Å; N578-R741 PolarHBondContact O-NH2 2.84Å; L579-R741 HydrophobicContact CD2-CB 4.06Å; L581-R741 HydrophobicContact CD2-CG 3.57Å; L737-R741 WeakPolarHBondContact O-CB 3.23Å; L737-R741 PolarHBondContact O-N 3.4Å; L737-R741 VanDerWaalsContact O-N 3.13Å; I739-R741 VanDerWaalsContact C-N 3.31Å; I739-R741 PolarHBondContact O-N 3.49Å; R741-D745 PolarHBondContact O-N 3.16Å
742	I	95.1	Very high	89.5	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-71.9	-44.3	177.8	-69.8	169.9	0	0	0	111.6	I493 K496 H497 L500 L738 I739 S740 R744 D745 F746 L871	I493-I742 HydrophobicContact CB-CD1 4.37Å; I493-I742 HydrophobicContact CG2-CD1 3.74Å; K496-I742 HydrophobicContact CG-CG1 4.37Å; H497-I742 HydrophobicContact CB-CD1 4.24Å; H497-I742 HydrophobicContact CB-CG1 4.47Å; L500-I742 HydrophobicContact CD1-CG1 4.35Å; L738-I742 HydrophobicContact CD2-CD1 4.44Å; L738-I742 WeakPolarHBondContact O-CG1 3.45Å; L738-I742 PolarHBondContact O-N 2.82Å; I739-I742 HydrophobicContact CD1-CD1 4.46Å; I739-I742 PolarHBondContact O-N 3.16Å; I739-I742 VanDerWaalsContact O-N 3.16Å; S740-I742 VanDerWaalsContact C-N 3.34Å; S740-I742 PolarHBondContact O-N 3.1Å; I742-R744 VanDerWaalsContact C-N 3.31Å; I742-R744 PolarHBondContact O-N 3.24Å; I742-D745 PolarHBondContact O-N 3.02Å; I742-F746 WeakPolarHBondContact O-CB 3.34Å; I742-F746 PolarHBondContact O-N 3.02Å; I742-L871 HydrophobicContact CG2-CD2 3.56Å
743	L	95.5	Very high	90.4	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-68	-32.3	178.9	-76.7	174.1	0	0	0	112	I739 S740 F746 I747 V761 L765 L793 F796 F797	I739-L743 HydrophobicContact CG2-CD1 3.8Å; I739-L743 HydrophobicContact CG2-CG 4.27Å; I739-L743 WeakPolarHBondContact O-CB 3.37Å; I739-L743 PolarHBondContact O-N 3.31Å; S740-L743 PolarHBondContact O-N 2.7Å; L743-F746 HydrophobicContact CD2-CD1 4.39Å; L743-F746 PolarHBondContact O-N 3.35Å; L743-I747 VanDerWaalsContact O-CB 3.3Å; L743-I747 WeakPolarHBondContact O-CB 3.49Å; L743-I747 WeakPolarHBondContact O-CD1 3.48Å; L743-I747 WeakPolarHBondContact O-CG1 3.46Å; L743-I747 PolarHBondContact O-N 2.68Å; L743-V761 HydrophobicContact CD1-CG1 4.31Å; L743-L765 HydrophobicContact CD1-CD1 4.05Å; L743-L765 HydrophobicContact CD1-CD2 3.85Å; L743-L765 HydrophobicContact CD1-CG 4.36Å; L743-L793 HydrophobicContact CD1-CD1 4.3Å; L743-L793 HydrophobicContact CD2-CD1 3.72Å; L743-L793 HydrophobicContact CG-CD1 3.87Å; L743-F796 HydrophobicContact CD1-CB 4.39Å; L743-F796 HydrophobicContact CD1-CD1 3.7Å; L743-F796 HydrophobicContact CD1-CD2 4.01Å; L743-F796 HydrophobicContact CD1-CE1 3.92Å; L743-F796 HydrophobicContact CD1-CE2 4.23Å; L743-F796 HydrophobicContact CD1-CG 3.75Å; L743-F796 HydrophobicContact CD1-CZ 4.18Å; L743-F796 HydrophobicContact CD2-CD1 3.72Å; L743-F796 HydrophobicContact CD2-CE1 3.68Å; L743-F796 HydrophobicContact CG-CD1 4.4Å; L743-F796 HydrophobicContact CG-CE1 4.44Å; L743-F797 HydrophobicContact CD2-CE1 4.42Å; L743-F797 HydrophobicContact CD2-CE2 4.15Å; L743-F797 HydrophobicContact CD2-CZ 3.74Å
744	R	94.7	Very high	91.6	Very high	16 Å²	16	31.8 Å²	31.8	6%	0.06	17%	0.165	C	C	.	.	H	α-helix	trans	-64.2	-45.9	174.1	-170.7	167.2	-178.6	-81.6	-29.9	112.2	L579 L581 E584 S740 I742 F746 I747 Q748 E758	L579-R744 PolarHBondContact O-NH1 3.07Å; L581-R744 HydrophobicContact CD1-CG 4.31Å; E584-R744 VanDerWaalsContact CD-NH1 3.25Å; E584-R744 IonicContact OE1-CZ 3.35Å; E584-R744 VanDerWaalsContact OE1-CZ 3.29Å; E584-R744 IonicContact OE1-NH1 3.02Å; E584-R744 PolarHBondContact OE1-NH1 3.38Å; E584-R744 IonicContact OE1-NH2 2.72Å; E584-R744 PolarHBondContact OE1-NH2 3.06Å; E584-R744 IonicContact OE2-CZ 2.7Å; E584-R744 IonicContact OE2-NH1 2.7Å; E584-R744 PolarHBondContact OE2-NH1 3.19Å; E584-R744 IonicContact OE2-NH2 3.16Å; S740-R744 WeakPolarHBondContact O-CB 3.49Å; S740-R744 PolarHBondContact O-N 3.43Å; I742-R744 VanDerWaalsContact C-N 3.31Å; I742-R744 PolarHBondContact O-N 3.24Å; R744-F746 VanDerWaalsContact C-N 3.35Å; R744-F746 PolarHBondContact O-N 2.77Å; R744-I747 PolarHBondContact O-N 3.07Å; R744-Q748 WeakPolarHBondContact O-CB 3.22Å; R744-Q748 VanDerWaalsContact O-CG 3.28Å; R744-Q748 WeakPolarHBondContact O-CG 3.28Å; R744-Q748 PolarHBondContact O-N 3.06Å; R744-E758 HydrophobicContact CG-CG 4.44Å; R744-E758 WeakPolarHBondContact CG-OE1 3.35Å; R744-E758 IonicContact CZ-OE1 2.74Å; R744-E758 IonicContact CZ-OE2 2.72Å; R744-E758 IonicContact NE-OE1 3.26Å; R744-E758 PolarHBondContact NE-OE1 3.18Å; R744-E758 IonicContact NE-OE2 4Å; R744-E758 PolarHBondContact NE-OE2 3.22Å; R744-E758 IonicContact NH2-OE1 3.77Å; R744-E758 PolarHBondContact NH2-OE1 3.08Å; R744-E758 IonicContact NH2-OE2 3.68Å
745	D	94.8	Very high	92.2	Very high	11 Å²	11	35.1 Å²	35.1	6%	0.059	18%	0.175	C	C	.	.	H	α-helix	trans	-61	-43.8	172.1	-179.3	72.1	0	0	0	111.9	K496 L500 L581 R741 I742 S749 R946	K496-D745 WeakPolarHBondContact CE-OD2 3.19Å; K496-D745 IonicContact NZ-OD2 3.12Å; K496-D745 PolarHBondContact NZ-OD2 2.99Å; L500-D745 HydrophobicContact CD1-CB 3.53Å; L500-D745 HydrophobicContact CD2-CB 3.75Å; L500-D745 VanDerWaalsContact CD2-OD1 3.24Å; L500-D745 WeakPolarHBondContact CD2-OD1 3.29Å; L500-D745 HydrophobicContact CG-CB 4.28Å; L581-D745 HydrophobicContact CD1-CB 4.11Å; L581-D745 HydrophobicContact CD2-CB 4.32Å; R741-D745 PolarHBondContact O-N 3.16Å; I742-D745 PolarHBondContact O-N 3.02Å; D745-S749 WeakPolarHBondContact O-CB 3.31Å; D745-S749 PolarHBondContact O-N 2.86Å; D745-S749 VanDerWaalsContact O-N 3.12Å; D745-S749 PolarHBondContact O-OG 3.46Å; D745-R946 IonicContact OD1-CZ 3.26Å; D745-R946 IonicContact OD1-NH1 2.74Å; D745-R946 PolarHBondContact OD1-NH1 2.86Å; D745-R946 IonicContact OD1-NH2 2.84Å; D745-R946 PolarHBondContact OD1-NH2 3.33Å
746	F	94.8	Very high	92.2	Very high	13 Å²	13	35 Å²	35	6%	0.057	18%	0.175	C	C	.	.	H	α-helix	trans	-61.8	-48.6	177.7	175.3	-96.6	0	0	0	112.3	I742 L743 R744 S749 N750 W753 F797 I858 V870	I742-F746 WeakPolarHBondContact O-CB 3.34Å; I742-F746 PolarHBondContact O-N 3.02Å; L743-F746 HydrophobicContact CD2-CD1 4.39Å; L743-F746 PolarHBondContact O-N 3.35Å; R744-F746 VanDerWaalsContact C-N 3.35Å; R744-F746 PolarHBondContact O-N 2.77Å; F746-S749 WeakPolarHBondContact CA-OG 3.48Å; F746-S749 PolarHBondContact O-N 3.37Å; F746-S749 VanDerWaalsContact O-N 3.08Å; F746-S749 PolarHBondContact O-OG 2.97Å; F746-N750 WeakPolarHBondContact CD2-ND2 3.49Å; F746-N750 VanDerWaalsContact CE2-ND2 3.33Å; F746-N750 WeakPolarHBondContact CE2-ND2 3.46Å; F746-N750 PolarHBondContact O-N 3.2Å; F746-N750 PolarHBondContact O-ND2 2.98Å; F746-W753 HydrophobicContact CD1-CD2 4.47Å; F746-W753 AromaticContact CE1-CD2 3.57Å; F746-W753 HydrophobicContact CE1-CD2 3.57Å; F746-W753 AromaticContact CE1-CE2 3.63Å; F746-W753 AromaticContact CE1-CE3 3.9Å; F746-W753 HydrophobicContact CE1-CE3 3.9Å; F746-W753 AromaticContact CE1-CG 3.96Å; F746-W753 HydrophobicContact CE1-CG 3.96Å; F746-W753 HydrophobicContact CE1-CH2 4.4Å; F746-W753 HydrophobicContact CE1-CZ2 4.06Å; F746-W753 HydrophobicContact CE1-CZ3 4.31Å; F746-W753 AromaticContact CE1-NE1 3.93Å; F746-W753 HydrophobicContact CZ-CD2 4.31Å; F746-W753 AromaticContact CZ-CE2 3.95Å; F746-W753 HydrophobicContact CZ-CZ2 4.34Å; F746-W753 AromaticContact CZ-NE1 3.9Å; F746-F797 HydrophobicContact CD1-CE1 4.4Å; F746-F797 HydrophobicContact CD1-CZ 4.16Å; F746-F797 AromaticContact CE1-CE1 3.79Å; F746-F797 HydrophobicContact CE1-CE1 3.79Å; F746-F797 AromaticContact CE1-CZ 3.92Å; F746-F797 HydrophobicContact CE1-CZ 3.92Å; F746-F797 HydrophobicContact CZ-CE1 4.12Å; F746-F797 HydrophobicContact CZ-CZ 4.19Å; F746-I858 HydrophobicContact CE1-CD1 4.36Å; F746-I858 HydrophobicContact CE2-CD1 4.12Å; F746-I858 HydrophobicContact CZ-CD1 3.5Å; F746-V870 HydrophobicContact CE2-CG1 4.33Å
747	I	94.2	Very high	91.9	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-59.3	-48.3	177.6	-75	162.8	0	0	0	110.9	L743 R744 S749 N750 W753 V761	L743-I747 VanDerWaalsContact O-CB 3.3Å; L743-I747 WeakPolarHBondContact O-CB 3.49Å; L743-I747 WeakPolarHBondContact O-CD1 3.48Å; L743-I747 WeakPolarHBondContact O-CG1 3.46Å; L743-I747 PolarHBondContact O-N 2.68Å; R744-I747 PolarHBondContact O-N 3.07Å; I747-S749 PolarHBondContact O-N 3.13Å; I747-N750 PolarHBondContact O-N 3Å; I747-W753 HydrophobicContact CG1-CB 4.4Å; I747-V761 HydrophobicContact CD1-CB 4.37Å; I747-V761 HydrophobicContact CD1-CG1 4.1Å; I747-V761 HydrophobicContact CD1-CG2 3.94Å
748	Q	91.9	Very high	91.8	Very high	51 Å²	51	39.7 Å²	39.7	24%	0.238	20%	0.198	C	C	.	.	H	α-helix	trans	-64.9	-17.4	176.9	-70.2	-179.7	10.1	0	0	114.1	E584 R744 E758	E584-Q748 PolarHBondContact OE1-NE2 3.36Å; E584-Q748 VanDerWaalsContact OE1-NE2 3.07Å; R744-Q748 WeakPolarHBondContact O-CB 3.22Å; R744-Q748 VanDerWaalsContact O-CG 3.28Å; R744-Q748 WeakPolarHBondContact O-CG 3.28Å; R744-Q748 PolarHBondContact O-N 3.06Å; Q748-E758 PolarHBondContact NE2-OE1 3.43Å
749	S	90.4	Very high	91.6	Very high	75 Å²	75	38.8 Å²	38.8	52%	0.524	19%	0.193	S	C	.	.	H	α-helix	trans	-97.3	-8.3	-179	70.2	0	0	0	0	114.7	D745 F746 I747	D745-S749 WeakPolarHBondContact O-CB 3.31Å; D745-S749 PolarHBondContact O-N 2.86Å; D745-S749 VanDerWaalsContact O-N 3.12Å; D745-S749 PolarHBondContact O-OG 3.46Å; F746-S749 WeakPolarHBondContact CA-OG 3.48Å; F746-S749 PolarHBondContact O-N 3.37Å; F746-S749 VanDerWaalsContact O-N 3.08Å; F746-S749 PolarHBondContact O-OG 2.97Å; I747-S749 PolarHBondContact O-N 3.13Å
750	N	91.8	Very high	91.1	Very high	44 Å²	44	39.4 Å²	39.4	24%	0.235	20%	0.196	C	C	.	.	S	Bend	trans	-121.5	118.8	-176.9	-70.2	-92.4	0	0	0	111.6	F746 I747 Y752 W753 I754	F746-N750 WeakPolarHBondContact CD2-ND2 3.49Å; F746-N750 VanDerWaalsContact CE2-ND2 3.33Å; F746-N750 WeakPolarHBondContact CE2-ND2 3.46Å; F746-N750 PolarHBondContact O-N 3.2Å; F746-N750 PolarHBondContact O-ND2 2.98Å; I747-N750 PolarHBondContact O-N 3Å; N750-Y752 VanDerWaalsContact C-N 3.3Å; N750-Y752 PolarHBondContact O-N 3.44Å; N750-Y752 VanDerWaalsContact O-N 3.09Å; N750-W753 HydrophobicContact CB-CB 4.03Å; N750-W753 HydrophobicContact CB-CG 4.1Å; N750-W753 PolarHBondContact O-N 3.3Å; N750-I754 PolarHBondContact O-N 3.09Å
751	E	88.3	Confident	90.9	Very high	179 Å²	179	39.3 Å²	39.3	84%	0.836	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-43.9	-45.2	-173.5	-176.6	-178.8	-170.7	0	0	115.2	I754	E751-I754 WeakPolarHBondContact O-CG2 3.46Å
752	Y	89	Confident	90.8	Very high	67 Å²	67	38.9 Å²	38.9	26%	0.263	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-9.1	-175.8	56	-86.6	0	0	0	113.8	N750 V847 K850 I851 S854	N750-Y752 VanDerWaalsContact C-N 3.3Å; N750-Y752 PolarHBondContact O-N 3.44Å; N750-Y752 VanDerWaalsContact O-N 3.09Å; Y752-V847 WeakPolarHBondContact O-CG1 3.48Å; Y752-K850 HydrophobicContact CD2-CB 3.99Å; Y752-K850 HydrophobicContact CG-CB 4.19Å; Y752-I851 HydrophobicContact CD2-CG1 3.97Å; Y752-I851 WeakPolarHBondContact O-CG1 3.45Å; Y752-S854 VanDerWaalsContact CE2-CB 3.46Å; Y752-S854 VanDerWaalsContact OH-CB 3.23Å; Y752-S854 WeakPolarHBondContact OH-CB 3.32Å; Y752-S854 PolarHBondContact OH-OG 3.08Å
753	W	92.4	Very high	90.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-22.1	170.4	-72.9	79.2	0	0	0	111.6	F746 I747 N750 E755 L756 F796 F797 M800 I851 S854 A855 I858	F746-W753 HydrophobicContact CD1-CD2 4.47Å; F746-W753 AromaticContact CE1-CD2 3.57Å; F746-W753 HydrophobicContact CE1-CD2 3.57Å; F746-W753 AromaticContact CE1-CE2 3.63Å; F746-W753 AromaticContact CE1-CE3 3.9Å; F746-W753 HydrophobicContact CE1-CE3 3.9Å; F746-W753 AromaticContact CE1-CG 3.96Å; F746-W753 HydrophobicContact CE1-CG 3.96Å; F746-W753 HydrophobicContact CE1-CH2 4.4Å; F746-W753 HydrophobicContact CE1-CZ2 4.06Å; F746-W753 HydrophobicContact CE1-CZ3 4.31Å; F746-W753 AromaticContact CE1-NE1 3.93Å; F746-W753 HydrophobicContact CZ-CD2 4.31Å; F746-W753 AromaticContact CZ-CE2 3.95Å; F746-W753 HydrophobicContact CZ-CZ2 4.34Å; F746-W753 AromaticContact CZ-NE1 3.9Å; I747-W753 HydrophobicContact CG1-CB 4.4Å; N750-W753 HydrophobicContact CB-CB 4.03Å; N750-W753 HydrophobicContact CB-CG 4.1Å; N750-W753 PolarHBondContact O-N 3.3Å; W753-E755 PolarHBondContact O-N 2.82Å; W753-E755 VanDerWaalsContact O-N 3.17Å; W753-L756 HydrophobicContact CD2-CD1 4.32Å; W753-L756 HydrophobicContact CE3-CD1 3.47Å; W753-L756 VanDerWaalsContact CE3-CD1 3.47Å; W753-L756 HydrophobicContact CZ3-CD1 4.01Å; W753-L756 WeakPolarHBondContact O-CB 3.38Å; W753-L756 PolarHBondContact O-N 3.03Å; W753-F796 HydrophobicContact CH2-CE1 4.46Å; W753-F796 AromaticContact CZ3-CE1 3.85Å; W753-F796 HydrophobicContact CZ3-CE1 3.85Å; W753-F796 HydrophobicContact CZ3-CZ 4.25Å; W753-F797 AromaticContact CH2-CD1 3.83Å; W753-F797 HydrophobicContact CH2-CD1 3.83Å; W753-F797 AromaticContact CH2-CE1 3.69Å; W753-F797 HydrophobicContact CH2-CE1 3.69Å; W753-F797 HydrophobicContact CZ2-CD1 4.37Å; W753-F797 HydrophobicContact CZ2-CE1 4.08Å; W753-F797 HydrophobicContact CZ3-CE1 4.2Å; W753-M800 HydrophobicContact CH2-CB 4.39Å; W753-M800 HydrophobicContact CH2-CG 4.35Å; W753-M800 HydrophobicContact CZ3-CG 4.36Å; W753-I851 HydrophobicContact CD2-CG2 4.2Å; W753-I851 HydrophobicContact CE3-CG2 4.08Å; W753-I851 HydrophobicContact CH2-CG2 3.74Å; W753-I851 HydrophobicContact CZ2-CG2 3.89Å; W753-I851 HydrophobicContact CZ3-CG2 3.85Å; W753-S854 PolarHBondContact NE1-OG 3.16Å; W753-A855 HydrophobicContact CH2-CB 4.16Å; W753-A855 HydrophobicContact CZ2-CB 4.29Å; W753-I858 HydrophobicContact CZ2-CD1 4.06Å
754	I	90.6	Very high	90	Very high	98 Å²	98	39 Å²	39	50%	0.503	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-14.1	-177.6	-150	172.9	0	0	0	114.2	N750 E751 L756	N750-I754 PolarHBondContact O-N 3.09Å; E751-I754 WeakPolarHBondContact O-CG2 3.46Å; I754-L756 VanDerWaalsContact C-N 3.28Å
755	E	87.8	Confident	89.9	Confident	88 Å²	88	38.2 Å²	38.2	41%	0.411	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-18.3	171.1	-66.5	-168.4	-168.1	0	0	112.9	W753 V847	W753-E755 PolarHBondContact O-N 2.82Å; W753-E755 VanDerWaalsContact O-N 3.17Å; E755-V847 HydrophobicContact CB-CG1 4.27Å; E755-V847 HydrophobicContact CG-CG1 4.39Å; E755-V847 WeakPolarHBondContact OE2-CG1 3.36Å
756	L	87.4	Confident	89.5	Confident	5 Å²	5	39 Å²	39	3%	0.026	20%	0.196	C	C	.	.	S	Bend	trans	-75.1	126.8	174.4	-67.5	161	0	0	0	110.8	W753 I754 E758 V761 L805 I839 I843 I851	W753-L756 HydrophobicContact CD2-CD1 4.32Å; W753-L756 HydrophobicContact CE3-CD1 3.47Å; W753-L756 VanDerWaalsContact CE3-CD1 3.47Å; W753-L756 HydrophobicContact CZ3-CD1 4.01Å; W753-L756 WeakPolarHBondContact O-CB 3.38Å; W753-L756 PolarHBondContact O-N 3.03Å; I754-L756 VanDerWaalsContact C-N 3.28Å; L756-E758 PolarHBondContact O-N 2.86Å; L756-V761 HydrophobicContact CB-CG2 4.28Å; L756-L805 HydrophobicContact CD2-CD1 4.43Å; L756-L805 HydrophobicContact CD2-CD2 3.98Å; L756-I839 HydrophobicContact CD2-CG2 3.62Å; L756-I843 HydrophobicContact CD2-CD1 3.62Å; L756-I843 HydrophobicContact CG-CD1 4.26Å; L756-I851 HydrophobicContact CD1-CD1 3.97Å; L756-I851 HydrophobicContact CD1-CG2 4.35Å; L756-I851 HydrophobicContact CD2-CD1 4.29Å; L756-I851 HydrophobicContact CG-CD1 3.94Å
757	N	86.1	Confident	89.1	Confident	80 Å²	80	40.9 Å²	40.9	43%	0.428	21%	0.205	S	C	.	.			trans	-61.7	123.9	171.9	179.3	9.9	0	0	0	111.2	F759 D760 V761	N757-F759 PolarHBondContact O-N 2.87Å; N757-F759 VanDerWaalsContact O-N 3.16Å; N757-F759 PolarHBondContact OD1-N 3.25Å; N757-F759 VanDerWaalsContact OD1-N 3.1Å; N757-D760 HydrophobicContact CB-CB 4.29Å; N757-D760 WeakPolarHBondContact CB-OD2 3.2Å; N757-D760 PolarHBondContact ND2-OD2 3.33Å; N757-D760 PolarHBondContact O-N 2.65Å; N757-D760 VanDerWaalsContact O-N 3.15Å; N757-V761 PolarHBondContact O-N 3.12Å
758	E	88.8	Confident	88.8	Confident	59 Å²	59	41.6 Å²	41.6	28%	0.276	21%	0.208	S	C	.	.	H	α-helix	trans	-51.6	-38.5	176.7	-64.7	-175	165.8	0	0	111.8	R744 Q748 L756 E762	R744-E758 HydrophobicContact CG-CG 4.44Å; R744-E758 WeakPolarHBondContact CG-OE1 3.35Å; R744-E758 IonicContact CZ-OE1 2.74Å; R744-E758 IonicContact CZ-OE2 2.72Å; R744-E758 IonicContact NE-OE1 3.26Å; R744-E758 PolarHBondContact NE-OE1 3.18Å; R744-E758 IonicContact NE-OE2 4Å; R744-E758 PolarHBondContact NE-OE2 3.22Å; R744-E758 IonicContact NH2-OE1 3.77Å; R744-E758 PolarHBondContact NH2-OE1 3.08Å; R744-E758 IonicContact NH2-OE2 3.68Å; Q748-E758 PolarHBondContact NE2-OE1 3.43Å; L756-E758 PolarHBondContact O-N 2.86Å; E758-E762 WeakPolarHBondContact O-CG 3.3Å; E758-E762 PolarHBondContact O-N 2.92Å
759	F	87.4	Confident	88.5	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.018	20%	0.199	C	C	.	.	H	α-helix	trans	-70.1	-42.3	-179.8	178	-99.3	0	0	0	113.3	H723 W726 N757 V761 E762 V763 P828 A830	H723-F759 HydrophobicContact CB-CD2 3.63Å; H723-F759 HydrophobicContact CB-CE2 3.51Å; H723-F759 HydrophobicContact CB-CG 4.42Å; H723-F759 HydrophobicContact CB-CZ 4.26Å; H723-F759 AromaticContact CD2-CD2 3.94Å; H723-F759 AromaticContact CD2-CE1 3.56Å; H723-F759 AromaticContact CD2-CE2 3.46Å; H723-F759 VanDerWaalsContact CD2-CE2 3.46Å; H723-F759 WeakPolarHBondContact CD2-CE2 3.37Å; H723-F759 AromaticContact CD2-CZ 3.26Å; H723-F759 WeakPolarHBondContact CD2-CZ 3.49Å; H723-F759 AromaticContact CE1-CD1 3.74Å; H723-F759 AromaticContact CE1-CE1 3.96Å; H723-F759 AromaticContact CE1-CG 3.95Å; H723-F759 AromaticContact CG-CD2 3.5Å; H723-F759 VanDerWaalsContact CG-CD2 3.5Å; H723-F759 AromaticContact CG-CE2 3.4Å; H723-F759 VanDerWaalsContact CG-CE2 3.4Å; H723-F759 AromaticContact CG-CG 3.86Å; H723-F759 AromaticContact CG-CZ 3.73Å; H723-F759 AromaticContact ND1-CD1 3.97Å; H723-F759 AromaticContact ND1-CD2 3.81Å; H723-F759 AromaticContact ND1-CG 3.7Å; H723-F759 AromaticContact NE2-CD1 3.77Å; H723-F759 AromaticContact NE2-CE1 3.5Å; H723-F759 AromaticContact NE2-CZ 3.74Å; W726-F759 HydrophobicContact CD2-CE2 4.42Å; W726-F759 HydrophobicContact CD2-CZ 4.5Å; W726-F759 AromaticContact CE3-CE2 3.48Å; W726-F759 HydrophobicContact CE3-CE2 3.48Å; W726-F759 VanDerWaalsContact CE3-CE2 3.48Å; W726-F759 AromaticContact CE3-CZ 3.92Å; W726-F759 HydrophobicContact CE3-CZ 3.92Å; W726-F759 HydrophobicContact CZ3-CD2 4.29Å; W726-F759 AromaticContact CZ3-CE2 3.52Å; W726-F759 HydrophobicContact CZ3-CE2 3.52Å; W726-F759 AromaticContact CZ3-CZ 4Å; W726-F759 HydrophobicContact CZ3-CZ 4Å; N757-F759 PolarHBondContact O-N 2.87Å; N757-F759 VanDerWaalsContact O-N 3.16Å; N757-F759 PolarHBondContact OD1-N 3.25Å; N757-F759 VanDerWaalsContact OD1-N 3.1Å; F759-V761 PolarHBondContact O-N 3.39Å; F759-E762 WeakPolarHBondContact O-CA 3.22Å; F759-E762 WeakPolarHBondContact O-CB 3.43Å; F759-E762 PolarHBondContact O-N 3.28Å; F759-V763 HydrophobicContact CD1-CG2 3.98Å; F759-V763 HydrophobicContact CE1-CG2 3.36Å; F759-V763 HydrophobicContact CE2-CG2 4.17Å; F759-V763 HydrophobicContact CZ-CG2 3.49Å; F759-V763 VanDerWaalsContact CZ-CG2 3.49Å; F759-V763 PolarHBondContact O-N 3.44Å; F759-P828 HydrophobicContact CZ-CG 4.4Å; F759-A830 HydrophobicContact CD1-CB 4.33Å; F759-A830 HydrophobicContact CE1-CB 3.68Å
760	D	85	Confident	88.2	Confident	12 Å²	12	38.2 Å²	38.2	6%	0.064	19%	0.19	C	C	.	.	H	α-helix	trans	-71.4	-25.6	-177.6	-63.6	-52.9	0	0	0	111.7	N757 H764 T838 I839	N757-D760 HydrophobicContact CB-CB 4.29Å; N757-D760 WeakPolarHBondContact CB-OD2 3.2Å; N757-D760 PolarHBondContact ND2-OD2 3.33Å; N757-D760 PolarHBondContact O-N 2.65Å; N757-D760 VanDerWaalsContact O-N 3.15Å; D760-H764 WeakPolarHBondContact O-CB 3.41Å; D760-H764 PolarHBondContact O-N 3.5Å; D760-T838 VanDerWaalsContact CG-OG1 3.24Å; D760-T838 WeakPolarHBondContact OD1-CB 3.3Å; D760-T838 PolarHBondContact OD1-OG1 3.35Å; D760-I839 HydrophobicContact CB-CB 4.3Å; D760-I839 HydrophobicContact CB-CG1 3.49Å; D760-I839 VanDerWaalsContact CB-CG1 3.49Å
761	V	89.8	Confident	87.7	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.024	20%	0.202	C	C	.	.	H	α-helix	trans	-64.1	-42.6	165.6	166.7	0	0	0	0	111.8	L743 I747 L756 N757 F759 H764 L765 F796	L743-V761 HydrophobicContact CD1-CG1 4.31Å; I747-V761 HydrophobicContact CD1-CB 4.37Å; I747-V761 HydrophobicContact CD1-CG1 4.1Å; I747-V761 HydrophobicContact CD1-CG2 3.94Å; L756-V761 HydrophobicContact CB-CG2 4.28Å; N757-V761 PolarHBondContact O-N 3.12Å; F759-V761 PolarHBondContact O-N 3.39Å; V761-H764 PolarHBondContact O-N 2.98Å; V761-L765 WeakPolarHBondContact O-CG 3.47Å; V761-L765 PolarHBondContact O-N 3.41Å; V761-F796 HydrophobicContact CB-CE2 4.46Å; V761-F796 HydrophobicContact CG1-CE2 3.74Å; V761-F796 HydrophobicContact CG1-CZ 3.91Å; V761-F796 HydrophobicContact CG2-CE2 4.33Å; V761-F796 HydrophobicContact CG2-CZ 4.21Å
762	E	90.5	Very high	87.2	Confident	4 Å²	4	32.6 Å²	32.6	2%	0.019	17%	0.165	C	C	.	.	H	α-helix	trans	-62	-43.6	174.5	-64.6	161.3	-166.3	0	0	112.1	K577 L579 W726 F727 E758 F759 H764 L765 D766	K577-E762 WeakPolarHBondContact CD-OE1 3.47Å; K577-E762 WeakPolarHBondContact CE-OE2 3.41Å; K577-E762 IonicContact NZ-OE1 2.82Å; K577-E762 PolarHBondContact NZ-OE1 2.92Å; K577-E762 IonicContact NZ-OE2 3.43Å; K577-E762 PolarHBondContact NZ-OE2 3.24Å; L579-E762 VanDerWaalsContact CD1-OE1 3.29Å; L579-E762 WeakPolarHBondContact CD1-OE1 3.21Å; W726-E762 HydrophobicContact CH2-CB 4.4Å; W726-E762 HydrophobicContact CZ3-CB 4.21Å; F727-E762 HydrophobicContact CD2-CB 4.07Å; F727-E762 HydrophobicContact CD2-CG 4.01Å; F727-E762 VanDerWaalsContact CD2-OE2 3.22Å; F727-E762 WeakPolarHBondContact CD2-OE2 3.4Å; F727-E762 HydrophobicContact CE2-CB 3.92Å; F727-E762 HydrophobicContact CE2-CG 3.6Å; F727-E762 HydrophobicContact CZ-CG 4.46Å; E758-E762 WeakPolarHBondContact O-CG 3.3Å; E758-E762 PolarHBondContact O-N 2.92Å; F759-E762 WeakPolarHBondContact O-CA 3.22Å; F759-E762 WeakPolarHBondContact O-CB 3.43Å; F759-E762 PolarHBondContact O-N 3.28Å; E762-H764 VanDerWaalsContact C-N 3.32Å; E762-H764 PolarHBondContact O-N 3.47Å; E762-L765 WeakPolarHBondContact O-CB 3.18Å; E762-L765 PolarHBondContact O-N 3.32Å; E762-D766 PolarHBondContact O-N 3.06Å; E762-D766 VanDerWaalsContact O-N 3.13Å
763	V	87	Confident	86.6	Confident	2 Å²	2	32.7 Å²	32.7	1%	0.012	17%	0.165	C	C	.	.	H	α-helix	trans	-59.2	-42.3	175.4	171.9	0	0	0	0	111.3	W726 F759 D766 H767 F835	W726-V763 HydrophobicContact CH2-CB 4.24Å; W726-V763 HydrophobicContact CH2-CG2 3.62Å; W726-V763 HydrophobicContact CZ2-CG2 4.04Å; W726-V763 HydrophobicContact CZ3-CG2 4.08Å; F759-V763 HydrophobicContact CD1-CG2 3.98Å; F759-V763 HydrophobicContact CE1-CG2 3.36Å; F759-V763 HydrophobicContact CE2-CG2 4.17Å; F759-V763 HydrophobicContact CZ-CG2 3.49Å; F759-V763 VanDerWaalsContact CZ-CG2 3.49Å; F759-V763 PolarHBondContact O-N 3.44Å; V763-D766 PolarHBondContact O-N 3.13Å; V763-H767 PolarHBondContact O-N 3.27Å; V763-F835 HydrophobicContact CG1-CD1 3.56Å; V763-F835 HydrophobicContact CG1-CE1 4.06Å
764	H	88.1	Confident	85.5	Confident	3 Å²	3	36.6 Å²	36.6	1%	0.014	19%	0.186	C	C	.	.	H	α-helix	trans	-69.2	-32.2	177.1	-174.5	95.6	0	0	0	113	D760 V761 E762 H767 L768 F796 S799 Y804 I839	D760-H764 WeakPolarHBondContact O-CB 3.41Å; D760-H764 PolarHBondContact O-N 3.5Å; V761-H764 PolarHBondContact O-N 2.98Å; E762-H764 VanDerWaalsContact C-N 3.32Å; E762-H764 PolarHBondContact O-N 3.47Å; H764-H767 PolarHBondContact O-N 2.84Å; H764-L768 VanDerWaalsContact CD2-CD1 3.45Å; H764-L768 WeakPolarHBondContact CD2-CD1 3.47Å; H764-L768 WeakPolarHBondContact NE2-CD1 3.29Å; H764-L768 WeakPolarHBondContact O-CB 3.36Å; H764-L768 VanDerWaalsContact O-CG 3.31Å; H764-L768 WeakPolarHBondContact O-CG 3.32Å; H764-L768 PolarHBondContact O-N 3.39Å; H764-F796 AromaticContact CD2-CD2 3.86Å; H764-S799 PolarHBondContact CE1-OG 3.08Å; H764-S799 WeakPolarHBondContact NE2-CB 3.17Å; H764-S799 PolarHBondContact NE2-OG 2.84Å; H764-Y804 AromaticContact CE1-CD1 3.9Å; H764-Y804 AromaticContact CE1-CD2 3.61Å; H764-Y804 AromaticContact CE1-CE1 3.82Å; H764-Y804 AromaticContact CE1-CE2 3.49Å; H764-Y804 VanDerWaalsContact CE1-CE2 3.49Å; H764-Y804 WeakPolarHBondContact CE1-CE2 3.48Å; H764-Y804 AromaticContact CE1-CG 3.8Å; H764-Y804 AromaticContact CE1-CZ 3.59Å; H764-Y804 AromaticContact ND1-CE1 3.52Å; H764-Y804 AromaticContact ND1-CE2 3.64Å; H764-Y804 AromaticContact ND1-CZ 3.27Å; H764-Y804 VanDerWaalsContact ND1-CZ 3.27Å; H764-Y804 PolarHBondContact ND1-OH 3.32Å; H764-I839 HydrophobicContact CB-CD1 3.73Å
765	L	91	Very high	84.4	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.1	-42.3	172.4	-69.5	168.9	0	0	0	112.1	I739 S740 L743 V761 E762 L768 L769 L792 F796	I739-L765 HydrophobicContact CG2-CD1 4.14Å; I739-L765 HydrophobicContact CG2-CD2 3.79Å; S740-L765 WeakPolarHBondContact OG-CD1 3.46Å; L743-L765 HydrophobicContact CD1-CD1 4.05Å; L743-L765 HydrophobicContact CD1-CD2 3.85Å; L743-L765 HydrophobicContact CD1-CG 4.36Å; V761-L765 WeakPolarHBondContact O-CG 3.47Å; V761-L765 PolarHBondContact O-N 3.41Å; E762-L765 WeakPolarHBondContact O-CB 3.18Å; E762-L765 PolarHBondContact O-N 3.32Å; L765-L768 PolarHBondContact O-N 3.39Å; L765-L769 WeakPolarHBondContact O-CB 3.37Å; L765-L769 PolarHBondContact O-N 3.42Å; L765-L792 HydrophobicContact CD2-CD1 4.3Å; L765-L792 HydrophobicContact CD2-CD2 4.21Å; L765-L792 HydrophobicContact CD2-CG 3.93Å; L765-F796 HydrophobicContact CD2-CB 4.14Å; L765-F796 HydrophobicContact CD2-CD2 3.96Å; L765-F796 HydrophobicContact CD2-CG 4.29Å; L765-F796 HydrophobicContact CG-CD2 4.47Å
766	D	88	Confident	83.3	Confident	27 Å²	27	35.8 Å²	35.8	14%	0.144	18%	0.182	C	C	.	.	H	α-helix	trans	-66.5	-39.6	176.2	-171.6	54.8	0	0	0	111.9	W726 I730 I736 E762 V763 L769 S770	W726-D766 HydrophobicContact CH2-CB 4.42Å; W726-D766 HydrophobicContact CZ2-CB 4.14Å; I730-D766 HydrophobicContact CD1-CB 3.92Å; I736-D766 HydrophobicContact CD1-CB 4.11Å; E762-D766 PolarHBondContact O-N 3.06Å; E762-D766 VanDerWaalsContact O-N 3.13Å; V763-D766 PolarHBondContact O-N 3.13Å; D766-L769 PolarHBondContact O-N 2.89Å; D766-S770 VanDerWaalsContact O-CB 3.29Å; D766-S770 WeakPolarHBondContact O-CB 3.23Å; D766-S770 PolarHBondContact O-N 3.36Å; D766-S770 PolarHBondContact O-OG 3.23Å
767	H	84.9	Confident	82	Confident	53 Å²	53	45 Å²	45	25%	0.245	22%	0.216	C	C	.	.	H	α-helix	trans	-60.8	-48.8	172.7	-176.2	75.1	0	0	0	112.3	V763 H764 L769 S770 L771 F835	V763-H767 PolarHBondContact O-N 3.27Å; H764-H767 PolarHBondContact O-N 2.84Å; H767-L769 VanDerWaalsContact C-N 3.34Å; H767-L769 PolarHBondContact O-N 2.82Å; H767-S770 PolarHBondContact O-N 2.9Å; H767-L771 WeakPolarHBondContact O-CG 3.46Å; H767-L771 PolarHBondContact O-N 3.34Å; H767-F835 AromaticContact ND1-CD2 3.92Å
768	L	88.3	Confident	80.6	Confident	18 Å²	18	48 Å²	48	9%	0.094	23%	0.233	C	C	.	.	H	α-helix	trans	-61.6	-40	176.8	-74.5	175.4	0	0	0	112.6	H764 L765 E772 L792 R795 F796	H764-L768 VanDerWaalsContact CD2-CD1 3.45Å; H764-L768 WeakPolarHBondContact CD2-CD1 3.47Å; H764-L768 WeakPolarHBondContact NE2-CD1 3.29Å; H764-L768 WeakPolarHBondContact O-CB 3.36Å; H764-L768 VanDerWaalsContact O-CG 3.31Å; H764-L768 WeakPolarHBondContact O-CG 3.32Å; H764-L768 PolarHBondContact O-N 3.39Å; L765-L768 PolarHBondContact O-N 3.39Å; L768-E772 PolarHBondContact O-N 3.18Å; L768-E772 VanDerWaalsContact O-N 3.13Å; L768-L792 HydrophobicContact CB-CD1 4.24Å; L768-R795 HydrophobicContact CD1-CB 4.22Å; L768-F796 HydrophobicContact CD1-CB 4.19Å
769	L	86.1	Confident	79	Confident	8 Å²	8	51.9 Å²	51.9	4%	0.042	25%	0.252	C	S	.	.	H	α-helix	trans	-67	-40.1	176.7	-172.7	65.4	0	0	0	111.2	I736 L765 D766 H767 E772 Y773 F787 L792	I736-L769 HydrophobicContact CD1-CD2 3.8Å; I736-L769 HydrophobicContact CG1-CD2 3.81Å; L765-L769 WeakPolarHBondContact O-CB 3.37Å; L765-L769 PolarHBondContact O-N 3.42Å; D766-L769 PolarHBondContact O-N 2.89Å; H767-L769 VanDerWaalsContact C-N 3.34Å; H767-L769 PolarHBondContact O-N 2.82Å; L769-E772 PolarHBondContact O-N 3.1Å; L769-Y773 HydrophobicContact CD1-CD2 4.35Å; L769-Y773 HydrophobicContact CD1-CE2 3.94Å; L769-Y773 HydrophobicContact CD2-CE2 3.83Å; L769-Y773 HydrophobicContact CG-CD2 3.85Å; L769-Y773 HydrophobicContact CG-CE2 3.56Å; L769-Y773 WeakPolarHBondContact O-CD2 3.45Å; L769-Y773 PolarHBondContact O-N 2.91Å; L769-F787 HydrophobicContact CD1-CB 3.98Å; L769-F787 HydrophobicContact CD1-CD1 3.38Å; L769-F787 HydrophobicContact CD1-CD2 4.1Å; L769-F787 HydrophobicContact CD1-CE1 3.82Å; L769-F787 HydrophobicContact CD1-CG 3.52Å; L769-F787 HydrophobicContact CD1-CZ 4.38Å; L769-L792 HydrophobicContact CB-CD1 4.25Å
770	S	83.4	Confident	77.1	Confident	48 Å²	48	58.2 Å²	58.2	34%	0.336	29%	0.286	S	S	.	.	H	α-helix	trans	-64.7	-41	176	-67.8	0	0	0	0	113	D766 H767 Y773 N774	D766-S770 VanDerWaalsContact O-CB 3.29Å; D766-S770 WeakPolarHBondContact O-CB 3.23Å; D766-S770 PolarHBondContact O-N 3.36Å; D766-S770 PolarHBondContact O-OG 3.23Å; H767-S770 PolarHBondContact O-N 2.9Å; S770-Y773 PolarHBondContact O-N 2.77Å; S770-N774 WeakPolarHBondContact O-CB 3.4Å; S770-N774 PolarHBondContact O-N 2.8Å; S770-N774 PolarHBondContact O-ND2 2.75Å
771	L	82.5	Confident	75.5	Confident	93 Å²	93	63.5 Å²	63.5	49%	0.487	32%	0.323	S	S	.	.	H	α-helix	trans	-60.1	-46	172.5	-72.7	176.4	0	0	0	111.6	H767 N774 M775	H767-L771 WeakPolarHBondContact O-CG 3.46Å; H767-L771 PolarHBondContact O-N 3.34Å; L771-N774 PolarHBondContact O-N 2.99Å; L771-M775 WeakPolarHBondContact O-CB 3.31Å; L771-M775 PolarHBondContact O-N 3.33Å
772	E	78.1	Confident	73.5	Confident	11 Å²	11	67.3 Å²	67.3	5%	0.051	35%	0.347	C	S	.	.	H	α-helix	trans	-65.9	-39.7	177.5	-82.1	-86.2	179.6	0	0	112.5	L768 L769 N774 M775 M776 F787 K791 R795	L768-E772 PolarHBondContact O-N 3.18Å; L768-E772 VanDerWaalsContact O-N 3.13Å; L769-E772 PolarHBondContact O-N 3.1Å; E772-N774 PolarHBondContact O-N 3.2Å; E772-M775 PolarHBondContact O-N 3.28Å; E772-M776 WeakPolarHBondContact O-CB 3.46Å; E772-M776 WeakPolarHBondContact O-CG 3.13Å; E772-M776 PolarHBondContact O-N 3.17Å; E772-F787 HydrophobicContact CB-CD2 4.42Å; E772-F787 HydrophobicContact CB-CE2 3.53Å; E772-F787 HydrophobicContact CB-CZ 3.87Å; E772-F787 HydrophobicContact CG-CE2 3.78Å; E772-F787 HydrophobicContact CG-CZ 3.73Å; E772-K791 WeakPolarHBondContact OE1-CE 3.38Å; E772-K791 IonicContact OE1-NZ 2.64Å; E772-K791 PolarHBondContact OE1-NZ 2.94Å; E772-K791 VanDerWaalsContact OE1-NZ 3.08Å; E772-K791 WeakPolarHBondContact OE2-CE 3.33Å; E772-K791 IonicContact OE2-NZ 3.6Å; E772-K791 PolarHBondContact OE2-NZ 3.38Å; E772-R795 IonicContact OE1-CZ 2.77Å; E772-R795 VanDerWaalsContact OE1-CZ 3.26Å; E772-R795 IonicContact OE1-NE 2.6Å; E772-R795 PolarHBondContact OE1-NE 3.08Å; E772-R795 IonicContact OE1-NH2 3.31Å; E772-R795 PolarHBondContact OE1-NH2 3.12Å
773	Y	74.9	Confident	71.5	Confident	70 Å²	70	70.9 Å²	70.9	28%	0.275	37%	0.37	S	S	.	.	H	α-helix	trans	-63.3	-39.3	172.9	-83.8	-50.6	0	0	0	112.8	L769 S770 M776 R777 S784	L769-Y773 HydrophobicContact CD1-CD2 4.35Å; L769-Y773 HydrophobicContact CD1-CE2 3.94Å; L769-Y773 HydrophobicContact CD2-CE2 3.83Å; L769-Y773 HydrophobicContact CG-CD2 3.85Å; L769-Y773 HydrophobicContact CG-CE2 3.56Å; L769-Y773 WeakPolarHBondContact O-CD2 3.45Å; L769-Y773 PolarHBondContact O-N 2.91Å; S770-Y773 PolarHBondContact O-N 2.77Å; Y773-M776 PolarHBondContact O-N 3.41Å; Y773-R777 PolarHBondContact O-N 3.42Å; Y773-S784 WeakPolarHBondContact CE1-O 3.42Å; Y773-S784 PolarHBondContact OH-O 3.14Å; Y773-S784 VanDerWaalsContact OH-O 3.12Å
774	N	69.2	Low	69.7	Low	81 Å²	81	74.1 Å²	74.1	43%	0.433	39%	0.393	S	S	.	.	H	α-helix	trans	-69.5	-37.1	175.9	-72.4	-29.4	0	0	0	111.8	S770 L771 E772 M776 R777 N778	S770-N774 WeakPolarHBondContact O-CB 3.4Å; S770-N774 PolarHBondContact O-N 2.8Å; S770-N774 PolarHBondContact O-ND2 2.75Å; L771-N774 PolarHBondContact O-N 2.99Å; E772-N774 PolarHBondContact O-N 3.2Å; N774-M776 VanDerWaalsContact C-N 3.33Å; N774-M776 PolarHBondContact O-N 3.27Å; N774-R777 PolarHBondContact O-N 3.17Å; N774-R777 PolarHBondContact OD1-NH1 3.28Å; N774-N778 PolarHBondContact O-N 3.06Å
775	M	68.4	Low	67.9	Low	120 Å²	120	79.6 Å²	79.6	59%	0.591	42%	0.422	S	S	*	.	H	α-helix	trans	-63.4	-38.1	171.2	-166	-179.7	-171.6	0	0	112	L771 E772 N778	L771-M775 WeakPolarHBondContact O-CB 3.31Å; L771-M775 PolarHBondContact O-N 3.33Å; E772-M775 PolarHBondContact O-N 3.28Å; M775-N778 PolarHBondContact O-N 3.27Å
776	M	63.7	Low	66.2	Low	49 Å²	49	86.8 Å²	86.8	24%	0.241	45%	0.454	C	S	.	.	H	α-helix	trans	-73.9	-32.5	175.6	-70.5	-173.9	-164.9	0	0	113.4	E772 Y773 N774 N778 M779 V782 F787	E772-M776 WeakPolarHBondContact O-CB 3.46Å; E772-M776 WeakPolarHBondContact O-CG 3.13Å; E772-M776 PolarHBondContact O-N 3.17Å; Y773-M776 PolarHBondContact O-N 3.41Å; N774-M776 VanDerWaalsContact C-N 3.33Å; N774-M776 PolarHBondContact O-N 3.27Å; M776-N778 PolarHBondContact O-N 2.98Å; M776-M779 CarbonylContact O-C 3.56Å; M776-M779 WeakPolarHBondContact O-CA 3.44Å; M776-M779 PolarHBondContact O-N 3.15Å; M776-V782 HydrophobicContact SD-CG1 4.18Å; M776-F787 HydrophobicContact CE-CD2 3.75Å; M776-F787 HydrophobicContact CE-CE2 3.75Å
777	R	60.4	Low	65.2	Low	198 Å²	198	85.9 Å²	85.9	75%	0.747	45%	0.449	S	S	*	.	H	α-helix	trans	-57.7	-34.6	172	-88.9	-175.8	171.6	135.1	-3.2	112.5	Y773 N774 M779	Y773-R777 PolarHBondContact O-N 3.42Å; N774-R777 PolarHBondContact O-N 3.17Å; N774-R777 PolarHBondContact OD1-NH1 3.28Å; R777-M779 PolarHBondContact O-N 3.01Å
778	N	57.5	Low	64.9	Low	145 Å²	145	86 Å²	86	78%	0.775	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-7.8	176	-65.4	-13.3	0	0	0	113.3	N774 M775 M776	N774-N778 PolarHBondContact O-N 3.06Å; M775-N778 PolarHBondContact O-N 3.27Å; M776-N778 PolarHBondContact O-N 2.98Å
779	M	55.3	Low	64.8	Low	139 Å²	139	86.1 Å²	86.1	69%	0.685	45%	0.451	S	S	*	.	S	Bend	trans	-115.4	92.1	173.2	-74.1	-132.9	174.4	0	0	111	M776 R777 S781	M776-M779 CarbonylContact O-C 3.56Å; M776-M779 WeakPolarHBondContact O-CA 3.44Å; M776-M779 PolarHBondContact O-N 3.15Å; R777-M779 PolarHBondContact O-N 3.01Å; M779-S781 PolarHBondContact O-N 3.34Å
780	L	46.9	Very low	64.8	Low	138 Å²	138	86 Å²	86	72%	0.723	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-35.8	132	178.9	-72.9	155.7	0	0	0	114.3
781	S	50.9	Low	65.1	Low	122 Å²	122	87.2 Å²	87.2	85%	0.853	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	17	164.4	74.8	0	0	0	0	120.3	M779	M779-S781 PolarHBondContact O-N 3.34Å
782	V	48.7	Very low	65.5	Low	84 Å²	84	82.8 Å²	82.8	51%	0.509	43%	0.427	S	S	.	.			trans	-83.4	126.2	164	-171.5	0	0	0	0	110.5	M776	M776-V782 HydrophobicContact SD-CG1 4.18Å
783	P	48.6	Very low	66.2	Low	80 Å²	80	82.4 Å²	82.4	52%	0.519	43%	0.425	S	S	.	.			trans	-64.6	141.4	171	-20.9	33.4	0	0	0	112.1	D785	P783-D785 PolarHBondContact O-N 2.78Å; P783-D785 VanDerWaalsContact O-N 3.12Å
784	S	49.7	Very low	67	Low	69 Å²	69	82.6 Å²	82.6	48%	0.483	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-54.6	-29.6	176.4	35.4	0	0	0	0	114	Y773 F786	Y773-S784 WeakPolarHBondContact CE1-O 3.42Å; Y773-S784 PolarHBondContact OH-O 3.14Å; Y773-S784 VanDerWaalsContact OH-O 3.12Å; S784-F786 PolarHBondContact O-N 2.83Å; S784-F786 VanDerWaalsContact O-N 3.15Å
785	D	49.4	Very low	68.1	Low	119 Å²	119	82.7 Å²	82.7	64%	0.636	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-84.9	9.1	-160.3	-42	-17.7	0	0	0	113	P783	P783-D785 PolarHBondContact O-N 2.78Å; P783-D785 VanDerWaalsContact O-N 3.12Å
786	F	54.8	Low	69.3	Low	151 Å²	151	77 Å²	77	66%	0.662	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-123.7	26.6	-171	-90.8	-86	0	0	0	114.9	S784 H788	S784-F786 PolarHBondContact O-N 2.83Å; S784-F786 VanDerWaalsContact O-N 3.15Å; F786-H788 PolarHBondContact O-N 3.41Å; F786-H788 VanDerWaalsContact O-N 3.12Å
787	F	68.3	Low	70.8	Confident	7 Å²	7	74.7 Å²	74.7	3%	0.031	38%	0.38	C	S	.	.			trans	-69.7	110	167.3	-153.7	-98.7	0	0	0	111	P735 L769 E772 M776 K791 L792	P735-F787 HydrophobicContact CG-CB 4.34Å; P735-F787 HydrophobicContact CG-CD1 4.09Å; L769-F787 HydrophobicContact CD1-CB 3.98Å; L769-F787 HydrophobicContact CD1-CD1 3.38Å; L769-F787 HydrophobicContact CD1-CD2 4.1Å; L769-F787 HydrophobicContact CD1-CE1 3.82Å; L769-F787 HydrophobicContact CD1-CG 3.52Å; L769-F787 HydrophobicContact CD1-CZ 4.38Å; E772-F787 HydrophobicContact CB-CD2 4.42Å; E772-F787 HydrophobicContact CB-CE2 3.53Å; E772-F787 HydrophobicContact CB-CZ 3.87Å; E772-F787 HydrophobicContact CG-CE2 3.78Å; E772-F787 HydrophobicContact CG-CZ 3.73Å; M776-F787 HydrophobicContact CE-CD2 3.75Å; M776-F787 HydrophobicContact CE-CE2 3.75Å; F787-K791 HydrophobicContact CE1-CB 4.11Å; F787-K791 HydrophobicContact CE1-CG 4.37Å; F787-K791 HydrophobicContact CE2-CD 3.76Å; F787-K791 HydrophobicContact CE2-CG 4.4Å; F787-K791 HydrophobicContact CZ-CB 4.08Å; F787-K791 HydrophobicContact CZ-CD 3.7Å; F787-K791 HydrophobicContact CZ-CG 3.84Å; F787-L792 HydrophobicContact CD1-CB 4.24Å; F787-L792 HydrophobicContact CE1-CB 3.76Å; F787-L792 HydrophobicContact CE1-CD1 4.18Å
788	H	77.5	Confident	72.4	Confident	57 Å²	57	66.8 Å²	66.8	26%	0.264	35%	0.352	S	S	.	.			trans	-71.1	128.5	-175.1	-166.2	-94.2	0	0	0	110.6	S490 F786 C790 K791 L792	S490-H788 PolarHBondContact OG-CE1 2.96Å; S490-H788 PolarHBondContact OG-NE2 3.44Å; F786-H788 PolarHBondContact O-N 3.41Å; F786-H788 VanDerWaalsContact O-N 3.12Å; H788-C790 VanDerWaalsContact C-N 3.3Å; H788-C790 VanDerWaalsContact CE1-SG 3.52Å; H788-C790 WeakPolarHBondContact ND1-CB 3.41Å; H788-C790 PolarHBondContact O-N 3.38Å; H788-K791 HydrophobicContact CB-CB 4.34Å; H788-K791 WeakPolarHBondContact O-CA 3.5Å; H788-K791 VanDerWaalsContact O-CB 3.26Å; H788-K791 WeakPolarHBondContact O-CB 3.23Å; H788-K791 PolarHBondContact O-N 3.19Å; H788-L792 PolarHBondContact O-N 3.15Å
789	P	86.2	Confident	74.1	Confident	19 Å²	19	61 Å²	61	12%	0.123	32%	0.322	C	S	.	.	H	α-helix	trans	-60.5	-37.5	-173.2	22.4	-33.1	0	0	0	112.7	I493 P735 L738 I739 K791 L792 L793	I493-P789 HydrophobicContact CG2-CB 4.34Å; I493-P789 HydrophobicContact CG2-CG 4.4Å; P735-P789 HydrophobicContact CB-CB 4.09Å; L738-P789 HydrophobicContact CD2-CB 3.63Å; L738-P789 HydrophobicContact CD2-CG 4.3Å; I739-P789 HydrophobicContact CD1-CB 3.97Å; I739-P789 WeakPolarHBondContact CD1-O 3.44Å; I739-P789 HydrophobicContact CG1-CB 4.15Å; P789-K791 PolarHBondContact O-N 3.48Å; P789-L792 PolarHBondContact O-N 3.23Å; P789-L792 VanDerWaalsContact O-N 3.07Å; P789-L793 PolarHBondContact O-N 3.15Å; P789-L793 VanDerWaalsContact O-N 3.08Å
790	C	87.6	Confident	75.9	Confident	7 Å²	7	54.3 Å²	54.3	5%	0.047	29%	0.29	C	S	.	.	H	α-helix	trans	-61.3	-26.7	175	-42.4	0	0	0	0	112.8	E489 I493 H788 R794	E489-C790 VanDerWaalsContact C-SG 3.54Å; E489-C790 HydrophobicContact CB-CB 4.07Å; I493-C790 HydrophobicContact CD1-CB 3.97Å; I493-C790 WeakPolarHBondContact CD1-SG 3.38Å; H788-C790 VanDerWaalsContact C-N 3.3Å; H788-C790 VanDerWaalsContact CE1-SG 3.52Å; H788-C790 WeakPolarHBondContact ND1-CB 3.41Å; H788-C790 PolarHBondContact O-N 3.38Å; C790-R794 VanDerWaalsContact O-CB 3.29Å; C790-R794 WeakPolarHBondContact O-CB 3.16Å; C790-R794 PolarHBondContact O-N 3.03Å
791	K	87.9	Confident	78.1	Confident	73 Å²	73	48.2 Å²	48.2	32%	0.317	26%	0.259	S	S	.	.	H	α-helix	trans	-71	-42	174.6	-165.9	-179.6	-178.5	-166.4	0	110.7	E772 F787 H788 P789 R794 R795	E772-K791 WeakPolarHBondContact OE1-CE 3.38Å; E772-K791 IonicContact OE1-NZ 2.64Å; E772-K791 PolarHBondContact OE1-NZ 2.94Å; E772-K791 VanDerWaalsContact OE1-NZ 3.08Å; E772-K791 WeakPolarHBondContact OE2-CE 3.33Å; E772-K791 IonicContact OE2-NZ 3.6Å; E772-K791 PolarHBondContact OE2-NZ 3.38Å; F787-K791 HydrophobicContact CE1-CB 4.11Å; F787-K791 HydrophobicContact CE1-CG 4.37Å; F787-K791 HydrophobicContact CE2-CD 3.76Å; F787-K791 HydrophobicContact CE2-CG 4.4Å; F787-K791 HydrophobicContact CZ-CB 4.08Å; F787-K791 HydrophobicContact CZ-CD 3.7Å; F787-K791 HydrophobicContact CZ-CG 3.84Å; H788-K791 HydrophobicContact CB-CB 4.34Å; H788-K791 WeakPolarHBondContact O-CA 3.5Å; H788-K791 VanDerWaalsContact O-CB 3.26Å; H788-K791 WeakPolarHBondContact O-CB 3.23Å; H788-K791 PolarHBondContact O-N 3.19Å; P789-K791 PolarHBondContact O-N 3.48Å; K791-R794 PolarHBondContact O-N 2.93Å; K791-R795 WeakPolarHBondContact O-CB 3.43Å; K791-R795 WeakPolarHBondContact O-CG 3.41Å; K791-R795 PolarHBondContact O-N 2.81Å
792	L	91	Very high	80.1	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.2	-46.2	176.1	-169.4	58.6	0	0	0	111	P735 I736 I739 L765 L768 L769 F787 H788 P789 R794 R795 F796	P735-L792 HydrophobicContact CG-CD2 4.25Å; I736-L792 HydrophobicContact CG1-CD2 4.29Å; I739-L792 HydrophobicContact CB-CD2 4.16Å; I739-L792 HydrophobicContact CG1-CB 4.3Å; I739-L792 HydrophobicContact CG1-CD2 4.21Å; I739-L792 HydrophobicContact CG2-CD2 4.27Å; I739-L792 HydrophobicContact CG2-CG 4.35Å; L765-L792 HydrophobicContact CD2-CD1 4.3Å; L765-L792 HydrophobicContact CD2-CD2 4.21Å; L765-L792 HydrophobicContact CD2-CG 3.93Å; L768-L792 HydrophobicContact CB-CD1 4.24Å; L769-L792 HydrophobicContact CB-CD1 4.25Å; F787-L792 HydrophobicContact CD1-CB 4.24Å; F787-L792 HydrophobicContact CE1-CB 3.76Å; F787-L792 HydrophobicContact CE1-CD1 4.18Å; H788-L792 PolarHBondContact O-N 3.15Å; P789-L792 PolarHBondContact O-N 3.23Å; P789-L792 VanDerWaalsContact O-N 3.07Å; L792-R794 PolarHBondContact O-N 2.77Å; L792-R795 PolarHBondContact O-N 3Å; L792-F796 PolarHBondContact O-N 3.45Å
793	L	93.3	Very high	81.9	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-59.9	-44.5	176.9	-167.9	67.3	0	0	0	112.2	I493 I739 L743 P789 F796 F797 L867 L871	I493-L793 HydrophobicContact CD1-CB 4.26Å; I493-L793 HydrophobicContact CD1-CD2 3.67Å; I493-L793 HydrophobicContact CG1-CD2 4.39Å; I739-L793 HydrophobicContact CD1-CB 4.04Å; I739-L793 HydrophobicContact CG2-CD1 4.24Å; L743-L793 HydrophobicContact CD1-CD1 4.3Å; L743-L793 HydrophobicContact CD2-CD1 3.72Å; L743-L793 HydrophobicContact CG-CD1 3.87Å; P789-L793 PolarHBondContact O-N 3.15Å; P789-L793 VanDerWaalsContact O-N 3.08Å; L793-F796 PolarHBondContact O-N 3.21Å; L793-F797 HydrophobicContact CD1-CD2 4.34Å; L793-F797 HydrophobicContact CD1-CE2 3.72Å; L793-F797 HydrophobicContact CG-CD2 4.15Å; L793-F797 HydrophobicContact CG-CE2 3.86Å; L793-F797 VanDerWaalsContact O-CD2 3.23Å; L793-F797 WeakPolarHBondContact O-CD2 3.34Å; L793-F797 PolarHBondContact O-N 3.4Å; L793-L867 HydrophobicContact CD2-CD1 3.99Å; L793-L871 HydrophobicContact CD2-CD2 4.49Å
794	R	92.3	Very high	83.7	Confident	75 Å²	75	43.5 Å²	43.5	28%	0.283	22%	0.218	S	C	.	.	H	α-helix	trans	-64.9	-40.9	177	-166.3	-175.5	-174.6	-104.6	16.3	111.6	C790 K791 L792 F797 E798 I862	C790-R794 VanDerWaalsContact O-CB 3.29Å; C790-R794 WeakPolarHBondContact O-CB 3.16Å; C790-R794 PolarHBondContact O-N 3.03Å; K791-R794 PolarHBondContact O-N 2.93Å; L792-R794 PolarHBondContact O-N 2.77Å; R794-F797 PolarHBondContact O-N 2.9Å; R794-E798 WeakPolarHBondContact CG-OE1 3.4Å; R794-E798 IonicContact CZ-OE1 3.65Å; R794-E798 VanDerWaalsContact CZ-OE1 3.31Å; R794-E798 IonicContact NE-OE1 3.66Å; R794-E798 IonicContact NH1-OE1 3.83Å; R794-E798 PolarHBondContact NH1-OE1 2.87Å; R794-E798 WeakPolarHBondContact O-CB 3.46Å; R794-E798 VanDerWaalsContact O-CG 3.27Å; R794-E798 WeakPolarHBondContact O-CG 3.49Å; R794-E798 PolarHBondContact O-N 3.25Å; R794-I862 HydrophobicContact CG-CG2 4.1Å
795	R	91.6	Very high	85.3	Confident	83 Å²	83	40.3 Å²	40.3	31%	0.313	20%	0.195	S	C	.	.	H	α-helix	trans	-63.7	-38.8	175.4	-73.8	-49.3	-163.4	-171.4	10.4	113.2	L768 E772 K791 L792 E798 S799	L768-R795 HydrophobicContact CD1-CB 4.22Å; E772-R795 IonicContact OE1-CZ 2.77Å; E772-R795 VanDerWaalsContact OE1-CZ 3.26Å; E772-R795 IonicContact OE1-NE 2.6Å; E772-R795 PolarHBondContact OE1-NE 3.08Å; E772-R795 IonicContact OE1-NH2 3.31Å; E772-R795 PolarHBondContact OE1-NH2 3.12Å; K791-R795 WeakPolarHBondContact O-CB 3.43Å; K791-R795 WeakPolarHBondContact O-CG 3.41Å; K791-R795 PolarHBondContact O-N 2.81Å; L792-R795 PolarHBondContact O-N 3Å; R795-E798 VanDerWaalsContact CD-OE2 3.22Å; R795-E798 WeakPolarHBondContact CD-OE2 3.44Å; R795-E798 IonicContact CZ-OE2 2.84Å; R795-E798 IonicContact NE-OE2 2.73Å; R795-E798 IonicContact NH1-OE2 3.05Å; R795-E798 PolarHBondContact NH1-OE2 3.31Å; R795-E798 PolarHBondContact O-N 2.92Å; R795-S799 PolarHBondContact O-N 3.22Å
796	F	94.1	Very high	86.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.4	-53.8	174.4	178	-96.6	0	0	0	111.2	L743 W753 V761 H764 L765 L768 L792 L793 E798 S799 M800	L743-F796 HydrophobicContact CD1-CB 4.39Å; L743-F796 HydrophobicContact CD1-CD1 3.7Å; L743-F796 HydrophobicContact CD1-CD2 4.01Å; L743-F796 HydrophobicContact CD1-CE1 3.92Å; L743-F796 HydrophobicContact CD1-CE2 4.23Å; L743-F796 HydrophobicContact CD1-CG 3.75Å; L743-F796 HydrophobicContact CD1-CZ 4.18Å; L743-F796 HydrophobicContact CD2-CD1 3.72Å; L743-F796 HydrophobicContact CD2-CE1 3.68Å; L743-F796 HydrophobicContact CG-CD1 4.4Å; L743-F796 HydrophobicContact CG-CE1 4.44Å; W753-F796 HydrophobicContact CH2-CE1 4.46Å; W753-F796 AromaticContact CZ3-CE1 3.85Å; W753-F796 HydrophobicContact CZ3-CE1 3.85Å; W753-F796 HydrophobicContact CZ3-CZ 4.25Å; V761-F796 HydrophobicContact CB-CE2 4.46Å; V761-F796 HydrophobicContact CG1-CE2 3.74Å; V761-F796 HydrophobicContact CG1-CZ 3.91Å; V761-F796 HydrophobicContact CG2-CE2 4.33Å; V761-F796 HydrophobicContact CG2-CZ 4.21Å; H764-F796 AromaticContact CD2-CD2 3.86Å; L765-F796 HydrophobicContact CD2-CB 4.14Å; L765-F796 HydrophobicContact CD2-CD2 3.96Å; L765-F796 HydrophobicContact CD2-CG 4.29Å; L765-F796 HydrophobicContact CG-CD2 4.47Å; L768-F796 HydrophobicContact CD1-CB 4.19Å; L792-F796 PolarHBondContact O-N 3.45Å; L793-F796 PolarHBondContact O-N 3.21Å; F796-E798 VanDerWaalsContact C-N 3.35Å; F796-E798 PolarHBondContact O-N 3.1Å; F796-S799 PolarHBondContact O-N 2.88Å; F796-M800 HydrophobicContact CE1-CG 4.34Å; F796-M800 HydrophobicContact CE2-CE 3.75Å; F796-M800 HydrophobicContact CZ-CE 3.68Å; F796-M800 HydrophobicContact CZ-CG 4.29Å; F796-M800 PolarHBondContact O-N 2.77Å; F796-M800 VanDerWaalsContact O-N 3.11Å
797	F	95.2	Very high	88	Confident	1 Å²	1	36.1 Å²	36.1	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-67.5	-31.5	178.3	-68.7	-61.9	0	0	0	113.3	L743 F746 W753 L793 R794 A801 I858 V859 I862 V870	L743-F797 HydrophobicContact CD2-CE1 4.42Å; L743-F797 HydrophobicContact CD2-CE2 4.15Å; L743-F797 HydrophobicContact CD2-CZ 3.74Å; F746-F797 HydrophobicContact CD1-CE1 4.4Å; F746-F797 HydrophobicContact CD1-CZ 4.16Å; F746-F797 AromaticContact CE1-CE1 3.79Å; F746-F797 HydrophobicContact CE1-CE1 3.79Å; F746-F797 AromaticContact CE1-CZ 3.92Å; F746-F797 HydrophobicContact CE1-CZ 3.92Å; F746-F797 HydrophobicContact CZ-CE1 4.12Å; F746-F797 HydrophobicContact CZ-CZ 4.19Å; W753-F797 AromaticContact CH2-CD1 3.83Å; W753-F797 HydrophobicContact CH2-CD1 3.83Å; W753-F797 AromaticContact CH2-CE1 3.69Å; W753-F797 HydrophobicContact CH2-CE1 3.69Å; W753-F797 HydrophobicContact CZ2-CD1 4.37Å; W753-F797 HydrophobicContact CZ2-CE1 4.08Å; W753-F797 HydrophobicContact CZ3-CE1 4.2Å; L793-F797 HydrophobicContact CD1-CD2 4.34Å; L793-F797 HydrophobicContact CD1-CE2 3.72Å; L793-F797 HydrophobicContact CG-CD2 4.15Å; L793-F797 HydrophobicContact CG-CE2 3.86Å; L793-F797 VanDerWaalsContact O-CD2 3.23Å; L793-F797 WeakPolarHBondContact O-CD2 3.34Å; L793-F797 PolarHBondContact O-N 3.4Å; R794-F797 PolarHBondContact O-N 2.9Å; F797-A801 WeakPolarHBondContact O-CB 3.49Å; F797-A801 PolarHBondContact O-N 2.94Å; F797-I858 HydrophobicContact CB-CG2 4.04Å; F797-I858 HydrophobicContact CD1-CB 4.22Å; F797-I858 HydrophobicContact CD1-CD1 4.07Å; F797-I858 HydrophobicContact CD1-CG2 3.71Å; F797-I858 HydrophobicContact CD2-CG2 3.5Å; F797-I858 HydrophobicContact CE1-CD1 3.74Å; F797-I858 HydrophobicContact CE1-CG2 3.97Å; F797-I858 HydrophobicContact CE2-CG2 3.76Å; F797-I858 HydrophobicContact CG-CB 4.33Å; F797-I858 HydrophobicContact CG-CG2 3.47Å; F797-I858 VanDerWaalsContact CG-CG2 3.47Å; F797-I858 HydrophobicContact CZ-CD1 4.3Å; F797-I858 HydrophobicContact CZ-CG2 3.99Å; F797-V859 VanDerWaalsContact C-CG2 3.44Å; F797-V859 HydrophobicContact CB-CG2 3.81Å; F797-V859 WeakPolarHBondContact O-CG2 3.48Å; F797-I862 HydrophobicContact CD2-CD1 3.9Å; F797-V870 HydrophobicContact CE2-CG1 4.29Å; F797-V870 HydrophobicContact CZ-CG1 4.37Å
798	E	94.6	Very high	88.2	Confident	31 Å²	31	35.8 Å²	35.8	15%	0.145	17%	0.17	C	C	.	.	H	α-helix	trans	-63.4	-42.2	171.1	-79	168.9	-163.8	0	0	112.6	R794 R795 F796 A801 N802 V859	R794-E798 WeakPolarHBondContact CG-OE1 3.4Å; R794-E798 IonicContact CZ-OE1 3.65Å; R794-E798 VanDerWaalsContact CZ-OE1 3.31Å; R794-E798 IonicContact NE-OE1 3.66Å; R794-E798 IonicContact NH1-OE1 3.83Å; R794-E798 PolarHBondContact NH1-OE1 2.87Å; R794-E798 WeakPolarHBondContact O-CB 3.46Å; R794-E798 VanDerWaalsContact O-CG 3.27Å; R794-E798 WeakPolarHBondContact O-CG 3.49Å; R794-E798 PolarHBondContact O-N 3.25Å; R795-E798 VanDerWaalsContact CD-OE2 3.22Å; R795-E798 WeakPolarHBondContact CD-OE2 3.44Å; R795-E798 IonicContact CZ-OE2 2.84Å; R795-E798 IonicContact NE-OE2 2.73Å; R795-E798 IonicContact NH1-OE2 3.05Å; R795-E798 PolarHBondContact NH1-OE2 3.31Å; R795-E798 PolarHBondContact O-N 2.92Å; F796-E798 VanDerWaalsContact C-N 3.35Å; F796-E798 PolarHBondContact O-N 3.1Å; E798-A801 PolarHBondContact O-N 3.39Å; E798-N802 WeakPolarHBondContact O-CB 3.47Å; E798-N802 PolarHBondContact O-N 3.45Å; E798-N802 PolarHBondContact O-ND2 3.45Å; E798-V859 HydrophobicContact CG-CG1 4.26Å; E798-V859 HydrophobicContact CG-CG2 4.12Å
799	S	92.1	Very high	88	Confident	23 Å²	23	34.6 Å²	34.6	16%	0.161	17%	0.165	C	C	.	.	H	α-helix	trans	-65.8	-46	178.9	-158.5	0	0	0	0	111.3	H764 R795 F796 A801 N802 Y804	H764-S799 PolarHBondContact CE1-OG 3.08Å; H764-S799 WeakPolarHBondContact NE2-CB 3.17Å; H764-S799 PolarHBondContact NE2-OG 2.84Å; R795-S799 PolarHBondContact O-N 3.22Å; F796-S799 PolarHBondContact O-N 2.88Å; S799-A801 PolarHBondContact O-N 3.47Å; S799-N802 PolarHBondContact O-N 3.32Å; S799-Y804 VanDerWaalsContact O-CB 3.26Å; S799-Y804 WeakPolarHBondContact O-CB 3.48Å; S799-Y804 PolarHBondContact O-N 2.59Å
800	M	92.6	Very high	87.3	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.3	-42.6	173.9	-65.5	-61.3	-173.3	0	0	111.9	W753 F796 N802 G803 L805 A855	W753-M800 HydrophobicContact CH2-CB 4.39Å; W753-M800 HydrophobicContact CH2-CG 4.35Å; W753-M800 HydrophobicContact CZ3-CG 4.36Å; F796-M800 HydrophobicContact CE1-CG 4.34Å; F796-M800 HydrophobicContact CE2-CE 3.75Å; F796-M800 HydrophobicContact CZ-CE 3.68Å; F796-M800 HydrophobicContact CZ-CG 4.29Å; F796-M800 PolarHBondContact O-N 2.77Å; F796-M800 VanDerWaalsContact O-N 3.11Å; M800-N802 VanDerWaalsContact C-N 3.28Å; M800-N802 PolarHBondContact O-N 3.13Å; M800-G803 PolarHBondContact O-N 2.93Å; M800-L805 HydrophobicContact CE-CD2 4.29Å; M800-L805 HydrophobicContact SD-CD1 4.25Å; M800-L805 HydrophobicContact SD-CD2 3.9Å; M800-L805 HydrophobicContact SD-CG 3.86Å; M800-A855 HydrophobicContact CB-CB 3.58Å
801	A	94.6	Very high	86.2	Confident	10 Å²	10	44.2 Å²	44.2	8%	0.083	21%	0.205	C	C	.	.	H	α-helix	trans	-64.6	-29.4	178.5	0	0	0	0	0	113.7	F797 E798 S799 G803 A855 Q856 V859	F797-A801 WeakPolarHBondContact O-CB 3.49Å; F797-A801 PolarHBondContact O-N 2.94Å; E798-A801 PolarHBondContact O-N 3.39Å; S799-A801 PolarHBondContact O-N 3.47Å; A801-G803 PolarHBondContact O-N 2.87Å; A801-A855 HydrophobicContact CB-CB 4Å; A801-Q856 HydrophobicContact CB-CB 4.37Å; A801-Q856 HydrophobicContact CB-CG 3.68Å; A801-Q856 WeakPolarHBondContact O-CG 3.42Å; A801-Q856 PolarHBondContact O-NE2 2.89Å; A801-V859 HydrophobicContact CB-CG2 3.95Å
802	N	92.8	Very high	84.9	Confident	143 Å²	143	41.4 Å²	41.4	77%	0.765	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	3.8	174.1	-70.8	-13.6	0	0	0	113.4	E798 S799 M800	E798-N802 WeakPolarHBondContact O-CB 3.47Å; E798-N802 PolarHBondContact O-N 3.45Å; E798-N802 PolarHBondContact O-ND2 3.45Å; S799-N802 PolarHBondContact O-N 3.32Å; M800-N802 VanDerWaalsContact C-N 3.28Å; M800-N802 PolarHBondContact O-N 3.13Å
803	G	86.6	Confident	83	Confident	12 Å²	12	45.3 Å²	45.3	12%	0.124	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	29.6	177.6	0	0	0	0	0	114.4	M800 A801 L805 F806 F807	M800-G803 PolarHBondContact O-N 2.93Å; A801-G803 PolarHBondContact O-N 2.87Å; G803-L805 PolarHBondContact O-N 3.44Å; G803-L805 VanDerWaalsContact O-N 3.13Å; G803-F806 PolarHBondContact O-N 3.49Å; G803-F807 PolarHBondContact O-N 2.93Å
804	Y	85.7	Confident	80.9	Confident	32 Å²	32	51.5 Å²	51.5	13%	0.125	26%	0.255	C	S	.	.	H	α-helix	trans	-50.5	-36.8	176.8	-179.9	-86.9	0	0	0	112.9	H764 S799 F807 A808 F835 I839	H764-Y804 AromaticContact CE1-CD1 3.9Å; H764-Y804 AromaticContact CE1-CD2 3.61Å; H764-Y804 AromaticContact CE1-CE1 3.82Å; H764-Y804 AromaticContact CE1-CE2 3.49Å; H764-Y804 VanDerWaalsContact CE1-CE2 3.49Å; H764-Y804 WeakPolarHBondContact CE1-CE2 3.48Å; H764-Y804 AromaticContact CE1-CG 3.8Å; H764-Y804 AromaticContact CE1-CZ 3.59Å; H764-Y804 AromaticContact ND1-CE1 3.52Å; H764-Y804 AromaticContact ND1-CE2 3.64Å; H764-Y804 AromaticContact ND1-CZ 3.27Å; H764-Y804 VanDerWaalsContact ND1-CZ 3.27Å; H764-Y804 PolarHBondContact ND1-OH 3.32Å; S799-Y804 VanDerWaalsContact O-CB 3.26Å; S799-Y804 WeakPolarHBondContact O-CB 3.48Å; S799-Y804 PolarHBondContact O-N 2.59Å; Y804-F807 WeakPolarHBondContact O-CB 3.37Å; Y804-F807 PolarHBondContact O-N 3.02Å; Y804-A808 HydrophobicContact CE1-CB 4.46Å; Y804-A808 WeakPolarHBondContact O-CB 3.39Å; Y804-A808 PolarHBondContact O-N 3.18Å; Y804-F835 PolarHBondContact OH-O 3.11Å; Y804-I839 HydrophobicContact CD1-CD1 4.33Å; Y804-I839 HydrophobicContact CE1-CD1 3.53Å
805	L	83.9	Confident	78.8	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-65.3	-38.2	177.8	-60	179.9	0	0	0	113.4	L756 M800 G803 A808 I809 I839 C848 I851	L756-L805 HydrophobicContact CD2-CD1 4.43Å; L756-L805 HydrophobicContact CD2-CD2 3.98Å; M800-L805 HydrophobicContact CE-CD2 4.29Å; M800-L805 HydrophobicContact SD-CD1 4.25Å; M800-L805 HydrophobicContact SD-CD2 3.9Å; M800-L805 HydrophobicContact SD-CG 3.86Å; G803-L805 PolarHBondContact O-N 3.44Å; G803-L805 VanDerWaalsContact O-N 3.13Å; L805-A808 WeakPolarHBondContact O-CB 3.4Å; L805-A808 PolarHBondContact O-N 3.5Å; L805-I809 WeakPolarHBondContact O-CG1 3.27Å; L805-I809 PolarHBondContact O-N 3.42Å; L805-I839 HydrophobicContact CD2-CG2 3.36Å; L805-C848 HydrophobicContact CB-CB 4.01Å; L805-C848 HydrophobicContact CD1-CB 4.35Å; L805-I851 HydrophobicContact CD1-CB 3.8Å; L805-I851 HydrophobicContact CD1-CD1 3.79Å; L805-I851 HydrophobicContact CD1-CG1 4.42Å; L805-I851 HydrophobicContact CD1-CG2 3.59Å
806	F	83.1	Confident	76.6	Confident	79 Å²	79	51.4 Å²	51.4	35%	0.346	27%	0.269	S	S	.	.	H	α-helix	trans	-68.9	-35.7	175.6	-67.5	-68.9	0	0	0	111.9	G803 K810 C848 E849 T852	G803-F806 PolarHBondContact O-N 3.49Å; F806-K810 VanDerWaalsContact O-CB 3.24Å; F806-K810 WeakPolarHBondContact O-CB 3.22Å; F806-K810 PolarHBondContact O-N 2.91Å; F806-K810 VanDerWaalsContact O-N 3.07Å; F806-C848 HydrophobicContact CD1-CB 4.45Å; F806-C848 HydrophobicContact CE1-CB 4.07Å; F806-C848 HydrophobicContact CZ-CB 4.22Å; F806-E849 HydrophobicContact CZ-CB 3.97Å; F806-T852 HydrophobicContact CE2-CG2 4.3Å; F806-T852 WeakPolarHBondContact CE2-OG1 3.35Å
807	F	77.3	Confident	73.9	Confident	103 Å²	103	58.8 Å²	58.8	45%	0.452	31%	0.309	S	S	.	.	H	α-helix	trans	-64.5	-44.5	171	-175.4	-89.8	0	0	0	111	G803 Y804 K810 H811 Y836	G803-F807 PolarHBondContact O-N 2.93Å; Y804-F807 WeakPolarHBondContact O-CB 3.37Å; Y804-F807 PolarHBondContact O-N 3.02Å; F807-K810 PolarHBondContact O-N 3.49Å; F807-H811 AromaticContact CD2-CD2 3.74Å; F807-H811 AromaticContact CD2-NE2 3.92Å; F807-H811 AromaticContact CE1-CD2 3.91Å; F807-H811 AromaticContact CE2-CD2 3.5Å; F807-H811 AromaticContact CE2-NE2 3.38Å; F807-H811 WeakPolarHBondContact CE2-NE2 3.42Å; F807-H811 AromaticContact CZ-CD2 3.59Å; F807-H811 AromaticContact CZ-NE2 3.71Å; F807-H811 PolarHBondContact O-CD2 3.21Å; F807-H811 PolarHBondContact O-N 3.08Å; F807-H811 VanDerWaalsContact O-N 3.08Å; F807-Y836 HydrophobicContact CD1-CG 4.42Å; F807-Y836 HydrophobicContact CE1-CD1 4.07Å; F807-Y836 HydrophobicContact CE1-CG 4.07Å
808	A	73	Confident	71.4	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-57.9	-51.2	176.5	0	0	0	0	0	112.7	Y804 L805 S812 Y836 S840	Y804-A808 HydrophobicContact CE1-CB 4.46Å; Y804-A808 WeakPolarHBondContact O-CB 3.39Å; Y804-A808 PolarHBondContact O-N 3.18Å; L805-A808 WeakPolarHBondContact O-CB 3.4Å; L805-A808 PolarHBondContact O-N 3.5Å; A808-S812 VanDerWaalsContact O-CB 3.31Å; A808-S812 WeakPolarHBondContact O-CB 3.49Å; A808-S812 PolarHBondContact O-N 2.93Å; A808-Y836 WeakPolarHBondContact CA-O 3.46Å; A808-Y836 WeakPolarHBondContact CB-O 3.27Å; A808-S840 PolarHBondContact O-OG 3.29Å
809	I	72.6	Confident	68.9	Low	32 Å²	32	70 Å²	70	16%	0.164	37%	0.368	C	S	.	.	H	α-helix	trans	-58.8	-54.9	176.1	-71.3	173.1	0	0	0	110.3	L805 H811 S812 S813 C848	L805-I809 WeakPolarHBondContact O-CG1 3.27Å; L805-I809 PolarHBondContact O-N 3.42Å; I809-H811 PolarHBondContact O-N 3.47Å; I809-H811 VanDerWaalsContact O-N 3.14Å; I809-S812 WeakPolarHBondContact O-CB 3.01Å; I809-S812 PolarHBondContact O-N 3.02Å; I809-S813 PolarHBondContact O-N 3.17Å; I809-S813 PolarHBondContact O-OG 3.43Å; I809-C848 HydrophobicContact CD1-CB 4.19Å; I809-C848 WeakPolarHBondContact CD1-SG 3.46Å
810	K	71.9	Confident	66.5	Low	159 Å²	159	74.8 Å²	74.8	69%	0.691	39%	0.391	S	S	*	.	H	α-helix	trans	-60.4	-30.5	-173.5	-173.4	173.3	-177.6	175.9	0	113.7	F806 F807	F806-K810 VanDerWaalsContact O-CB 3.24Å; F806-K810 WeakPolarHBondContact O-CB 3.22Å; F806-K810 PolarHBondContact O-N 2.91Å; F806-K810 VanDerWaalsContact O-N 3.07Å; F807-K810 PolarHBondContact O-N 3.49Å
811	H	64.5	Low	64.2	Low	69 Å²	69	78.3 Å²	78.3	32%	0.319	42%	0.416	S	S	.	.	H	α-helix	trans	-93.3	-16.5	176.3	-74.5	-85	0	0	0	114.2	F807 I809 Y836	F807-H811 AromaticContact CD2-CD2 3.74Å; F807-H811 AromaticContact CD2-NE2 3.92Å; F807-H811 AromaticContact CE1-CD2 3.91Å; F807-H811 AromaticContact CE2-CD2 3.5Å; F807-H811 AromaticContact CE2-NE2 3.38Å; F807-H811 WeakPolarHBondContact CE2-NE2 3.42Å; F807-H811 AromaticContact CZ-CD2 3.59Å; F807-H811 AromaticContact CZ-NE2 3.71Å; F807-H811 PolarHBondContact O-CD2 3.21Å; F807-H811 PolarHBondContact O-N 3.08Å; F807-H811 VanDerWaalsContact O-N 3.08Å; I809-H811 PolarHBondContact O-N 3.47Å; I809-H811 VanDerWaalsContact O-N 3.14Å; H811-Y836 HydrophobicContact CB-CD2 3.71Å; H811-Y836 HydrophobicContact CB-CE2 3.41Å; H811-Y836 VanDerWaalsContact CB-CE2 3.41Å
812	S	59.6	Low	61.6	Low	15 Å²	15	81.5 Å²	81.5	11%	0.105	44%	0.436	C	S	.	.	H	α-helix	trans	-65.6	-45.2	171.6	-171.4	0	0	0	0	111.3	A808 I809 N814 S815	A808-S812 VanDerWaalsContact O-CB 3.31Å; A808-S812 WeakPolarHBondContact O-CB 3.49Å; A808-S812 PolarHBondContact O-N 2.93Å; I809-S812 WeakPolarHBondContact O-CB 3.01Å; I809-S812 PolarHBondContact O-N 3.02Å; S812-N814 PolarHBondContact O-N 2.74Å; S812-S815 WeakPolarHBondContact O-CB 3.2Å; S812-S815 PolarHBondContact O-N 3.03Å; S812-S815 PolarHBondContact O-OG 3.01Å
813	S	52.4	Low	59.5	Low	81 Å²	81	77.3 Å²	77.3	57%	0.566	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-20.1	-178	-46	0	0	0	0	115.4	I809	I809-S813 PolarHBondContact O-N 3.17Å; I809-S813 PolarHBondContact O-OG 3.43Å
814	N	49.4	Very low	57.3	Low	132 Å²	132	82.8 Å²	82.8	71%	0.706	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	0.6	177.6	-73.3	-20.1	0	0	0	113.4	S812	S812-N814 PolarHBondContact O-N 2.74Å
815	S	48.1	Very low	55.6	Low	34 Å²	34	86.6 Å²	86.6	24%	0.238	46%	0.455	C	S	.	.			trans	-101.6	1.1	-170.4	73.7	0	0	0	0	115.5	S812 N817 T818	S812-S815 WeakPolarHBondContact O-CB 3.2Å; S812-S815 PolarHBondContact O-N 3.03Å; S812-S815 PolarHBondContact O-OG 3.01Å; S815-N817 PolarHBondContact O-N 3.26Å; S815-T818 PolarHBondContact O-N 3.09Å
816	N	44.8	Very low	53.9	Low	122 Å²	122	90.5 Å²	90.5	65%	0.652	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	6	-175.6	-63.8	9.9	0	0	0	115.4
817	N	38.2	Very low	52.4	Low	155 Å²	155	87.8 Å²	87.8	83%	0.829	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	26.9	-178	-65.8	-35.8	0	0	0	112.5	S815	S815-N817 PolarHBondContact O-N 3.26Å
818	T	42.8	Very low	51.1	Low	95 Å²	95	82.9 Å²	82.9	58%	0.583	44%	0.443	S	S	*	.			trans	-148.1	46.6	-175.8	-38.9	0	0	0	0	113.1	S815 D820	S815-T818 PolarHBondContact O-N 3.09Å; T818-D820 VanDerWaalsContact C-N 3.34Å
819	E	42	Very low	49.9	Very low	172 Å²	172	85.3 Å²	85.3	80%	0.804	46%	0.458	S	S	*	.			trans	-77.6	-15.6	-179.6	-58.8	-147.9	114.6	0	0	114.6
820	D	40.5	Very low	48.6	Very low	124 Å²	124	84.7 Å²	84.7	66%	0.663	46%	0.457	S	S	*	.			trans	-112.3	41.7	-169.4	-106	-39.3	0	0	0	114.4	K684 T818	K684-D820 IonicContact NZ-OD1 3.45Å; K684-D820 PolarHBondContact NZ-OD1 3.3Å; K684-D820 IonicContact NZ-OD2 2.72Å; K684-D820 PolarHBondContact NZ-OD2 3.33Å; T818-D820 VanDerWaalsContact C-N 3.34Å
821	S	44.5	Very low	47.2	Very low	74 Å²	74	77.4 Å²	77.4	52%	0.517	43%	0.426	S	S	.	.			trans	-83.8	127.5	163.6	-73.4	0	0	0	0	111
822	P	41.1	Very low	46.3	Very low	77 Å²	77	77 Å²	77	50%	0.5	43%	0.429	S	S	.	.			trans	-67.6	150.5	-179.2	27.4	-34.2	0	0	0	112.7	E824	P822-E824 VanDerWaalsContact C-N 3.33Å; P822-E824 HydrophobicContact CG-CG 4.31Å; P822-E824 PolarHBondContact O-N 3.36Å
823	R	48.4	Very low	45.9	Very low	56 Å²	56	80.1 Å²	80.1	21%	0.211	44%	0.44	C	S	.	.			trans	-71.4	84.8	170.1	-68.8	-169.1	-166.2	-142.3	-4.7	110.5	D719 D722 V829	D719-R823 IonicContact OD1-CZ 2.65Å; D719-R823 VanDerWaalsContact OD1-CZ 3.3Å; D719-R823 IonicContact OD1-NH1 3.08Å; D719-R823 PolarHBondContact OD1-NH1 3.1Å; D719-R823 IonicContact OD1-NH2 2.59Å; D719-R823 PolarHBondContact OD1-NH2 3.41Å; D722-R823 IonicContact OD2-CZ 2.67Å; D722-R823 IonicContact OD2-NH1 3.3Å; D722-R823 PolarHBondContact OD2-NH1 3.33Å; R823-V829 HydrophobicContact CG-CG2 3.86Å
824	E	40.9	Very low	45.8	Very low	126 Å²	126	78.8 Å²	78.8	59%	0.589	43%	0.43	S	S	*	.			trans	-81.8	149.4	169.4	-64	-170.2	169.1	0	0	111.7	P822 N826 I827	P822-E824 VanDerWaalsContact C-N 3.33Å; P822-E824 HydrophobicContact CG-CG 4.31Å; P822-E824 PolarHBondContact O-N 3.36Å; E824-N826 PolarHBondContact O-N 2.94Å; E824-N826 VanDerWaalsContact O-N 3.15Å; E824-I827 PolarHBondContact O-N 3.06Å
825	N	49	Very low	45.9	Very low	113 Å²	113	75 Å²	75	60%	0.604	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	23.5	161.6	-56.2	-43.5	0	0	0	118.6	I827	N825-I827 VanDerWaalsContact C-N 3.28Å; N825-I827 HydrophobicContact CB-CD1 4.07Å; N825-I827 PolarHBondContact O-N 3.27Å
826	N	48.1	Very low	46.1	Very low	82 Å²	82	76.6 Å²	76.6	44%	0.439	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	26.2	179.4	-49.2	-90	0	0	0	114.4	Y152 E824	Y152-N826 WeakPolarHBondContact CB-OD1 3.35Å; Y152-N826 WeakPolarHBondContact CD2-OD1 3.38Å; E824-N826 PolarHBondContact O-N 2.94Å; E824-N826 VanDerWaalsContact O-N 3.15Å
827	I	50.9	Low	46.5	Very low	22 Å²	22	70.9 Å²	70.9	11%	0.113	38%	0.378	C	S	.	.			trans	-92.4	128.9	179.3	-64.6	162.4	0	0	0	108.4	Y65 E824 N825 C831 T832	Y65-I827 HydrophobicContact CD1-CD1 3.75Å; Y65-I827 HydrophobicContact CD1-CG1 4.45Å; Y65-I827 HydrophobicContact CD2-CD1 4.02Å; Y65-I827 HydrophobicContact CE1-CD1 4.44Å; Y65-I827 HydrophobicContact CE2-CG2 4.5Å; Y65-I827 HydrophobicContact CG-CD1 3.51Å; E824-I827 PolarHBondContact O-N 3.06Å; N825-I827 VanDerWaalsContact C-N 3.28Å; N825-I827 HydrophobicContact CB-CD1 4.07Å; N825-I827 PolarHBondContact O-N 3.27Å; I827-C831 HydrophobicContact CG2-CB 3.45Å; I827-C831 VanDerWaalsContact CG2-CB 3.45Å; I827-T832 HydrophobicContact CB-CG2 4.38Å; I827-T832 HydrophobicContact CG2-CG2 3.94Å
828	P	51.6	Low	47.4	Very low	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.341	C	S	.	.			trans	-57.1	149.3	176.2	-21.7	30	0	0	0	111.9	D722 W726 F759 A830 C831 T832	D722-P828 HydrophobicContact CB-CB 4.3Å; D722-P828 HydrophobicContact CB-CG 4.07Å; W726-P828 HydrophobicContact CB-CG 4.06Å; W726-P828 HydrophobicContact CG-CG 4.34Å; F759-P828 HydrophobicContact CZ-CG 4.4Å; P828-A830 PolarHBondContact O-N 3.07Å; P828-A830 VanDerWaalsContact O-N 3.17Å; P828-C831 CarbonylContact O-C 3.59Å; P828-C831 WeakPolarHBondContact O-CA 3.41Å; P828-C831 WeakPolarHBondContact O-CB 3.46Å; P828-C831 PolarHBondContact O-N 3.17Å; P828-T832 PolarHBondContact O-N 3.01Å
829	V	47.3	Very low	48.2	Very low	52 Å²	52	59.7 Å²	59.7	32%	0.315	32%	0.315	S	S	.	.	H	α-helix	trans	-60.7	-29.9	179.6	179.4	0	0	0	0	112.1	R823 C831 T832 K833	R823-V829 HydrophobicContact CG-CG2 3.86Å; V829-C831 PolarHBondContact O-N 3.41Å; V829-T832 WeakPolarHBondContact CA-OG1 3.31Å; V829-T832 PolarHBondContact O-N 3.48Å; V829-T832 VanDerWaalsContact O-N 3.16Å; V829-T832 PolarHBondContact O-OG1 2.8Å; V829-K833 PolarHBondContact O-N 3.33Å; V829-K833 VanDerWaalsContact O-N 3.09Å
830	A	45.2	Very low	49	Very low	19 Å²	19	51.9 Å²	51.9	16%	0.157	28%	0.279	C	S	.	.	H	α-helix	trans	-61.7	-26.1	171.1	0	0	0	0	0	113.5	F759 P828 T838	F759-A830 HydrophobicContact CD1-CB 4.33Å; F759-A830 HydrophobicContact CE1-CB 3.68Å; P828-A830 PolarHBondContact O-N 3.07Å; P828-A830 VanDerWaalsContact O-N 3.17Å; A830-T838 HydrophobicContact CB-CG2 3.91Å; A830-T838 VanDerWaalsContact O-CG2 3.23Å; A830-T838 WeakPolarHBondContact O-CG2 3.38Å
831	C	42.8	Very low	50.1	Low	6 Å²	6	50.5 Å²	50.5	4%	0.041	27%	0.271	C	S	.	.	H	α-helix	trans	-95.9	-6.1	175.7	-60.2	0	0	0	0	113.6	I827 P828 V829	I827-C831 HydrophobicContact CG2-CB 3.45Å; I827-C831 VanDerWaalsContact CG2-CB 3.45Å; P828-C831 CarbonylContact O-C 3.59Å; P828-C831 WeakPolarHBondContact O-CA 3.41Å; P828-C831 WeakPolarHBondContact O-CB 3.46Å; P828-C831 PolarHBondContact O-N 3.17Å; V829-C831 PolarHBondContact O-N 3.41Å
832	T	44.2	Very low	51.3	Low	60 Å²	60	50.7 Å²	50.7	37%	0.368	29%	0.285	S	S	.	.	H	α-helix	trans	-93.7	-28.4	170.3	66.7	0	0	0	0	112.5	I827 P828 V829	I827-T832 HydrophobicContact CB-CG2 4.38Å; I827-T832 HydrophobicContact CG2-CG2 3.94Å; P828-T832 PolarHBondContact O-N 3.01Å; V829-T832 WeakPolarHBondContact CA-OG1 3.31Å; V829-T832 PolarHBondContact O-N 3.48Å; V829-T832 VanDerWaalsContact O-N 3.16Å; V829-T832 PolarHBondContact O-OG1 2.8Å
833	K	51.3	Low	53.1	Low	80 Å²	80	47.8 Å²	47.8	35%	0.348	27%	0.265	S	S	.	.	S	Bend	trans	-65.1	150	160.3	-66.5	-167.2	177.2	-168.3	0	109.5	V829 F835 V837 T838	V829-K833 PolarHBondContact O-N 3.33Å; V829-K833 VanDerWaalsContact O-N 3.09Å; K833-F835 PolarHBondContact O-N 3.02Å; K833-V837 HydrophobicContact CB-CB 4.38Å; K833-V837 HydrophobicContact CD-CG1 4.1Å; K833-T838 HydrophobicContact CB-CG2 4.36Å
834	P	50.6	Low	54.8	Low	53 Å²	53	47.6 Å²	47.6	34%	0.344	27%	0.273	S	S	.	.			trans	-56.8	136.4	173.6	-20.4	30.5	0	0	0	110.2	Y836 V837	P834-Y836 HydrophobicContact CB-CD1 4.02Å; P834-Y836 HydrophobicContact CB-CE1 3.46Å; P834-Y836 VanDerWaalsContact CB-CE1 3.46Å; P834-Y836 HydrophobicContact CB-CE2 4.02Å; P834-Y836 VanDerWaalsContact CB-CZ 3.45Å; P834-Y836 HydrophobicContact CG-CE1 4.45Å; P834-Y836 PolarHBondContact O-N 3.44Å; P834-V837 HydrophobicContact CB-CG2 4.09Å; P834-V837 HydrophobicContact CG-CG2 4.13Å; P834-V837 WeakPolarHBondContact O-CB 3.23Å; P834-V837 PolarHBondContact O-N 3.11Å
835	F	51.7	Low	57	Low	52 Å²	52	46.5 Å²	46.5	23%	0.228	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-22.8	-170.4	-63.8	-75.9	0	0	0	115.9	Y65 V763 H767 Y804 K833	Y65-F835 HydrophobicContact CE2-CZ 4.07Å; V763-F835 HydrophobicContact CG1-CD1 3.56Å; V763-F835 HydrophobicContact CG1-CE1 4.06Å; H767-F835 AromaticContact ND1-CD2 3.92Å; Y804-F835 PolarHBondContact OH-O 3.11Å; K833-F835 PolarHBondContact O-N 3.02Å
836	Y	52.4	Low	58.9	Low	69 Å²	69	47.2 Å²	47.2	27%	0.271	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-10.2	176.3	58.9	-103.5	0	0	0	114.2	F807 A808 H811 P834	F807-Y836 HydrophobicContact CD1-CG 4.42Å; F807-Y836 HydrophobicContact CE1-CD1 4.07Å; F807-Y836 HydrophobicContact CE1-CG 4.07Å; A808-Y836 WeakPolarHBondContact CA-O 3.46Å; A808-Y836 WeakPolarHBondContact CB-O 3.27Å; H811-Y836 HydrophobicContact CB-CD2 3.71Å; H811-Y836 HydrophobicContact CB-CE2 3.41Å; H811-Y836 VanDerWaalsContact CB-CE2 3.41Å; P834-Y836 HydrophobicContact CB-CD1 4.02Å; P834-Y836 HydrophobicContact CB-CE1 3.46Å; P834-Y836 VanDerWaalsContact CB-CE1 3.46Å; P834-Y836 HydrophobicContact CB-CE2 4.02Å; P834-Y836 VanDerWaalsContact CB-CZ 3.45Å; P834-Y836 HydrophobicContact CG-CE1 4.45Å; P834-Y836 PolarHBondContact O-N 3.44Å
837	V	53.3	Low	60.9	Low	1 Å²	1	43.8 Å²	43.8	1%	0.006	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-22.2	-175.2	178.7	0	0	0	0	112.2	K833 P834 S840 N841	K833-V837 HydrophobicContact CB-CB 4.38Å; K833-V837 HydrophobicContact CD-CG1 4.1Å; P834-V837 HydrophobicContact CB-CG2 4.09Å; P834-V837 HydrophobicContact CG-CG2 4.13Å; P834-V837 WeakPolarHBondContact O-CB 3.23Å; P834-V837 PolarHBondContact O-N 3.11Å; V837-S840 PolarHBondContact O-OG 3.44Å; V837-N841 PolarHBondContact O-ND2 3.08Å
838	T	57.7	Low	62.8	Low	9 Å²	9	42.7 Å²	42.7	6%	0.055	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-49.4	-171.1	65.2	0	0	0	0	113.7	D760 A830 K833 S840 N841	D760-T838 VanDerWaalsContact CG-OG1 3.24Å; D760-T838 WeakPolarHBondContact OD1-CB 3.3Å; D760-T838 PolarHBondContact OD1-OG1 3.35Å; A830-T838 HydrophobicContact CB-CG2 3.91Å; A830-T838 VanDerWaalsContact O-CG2 3.23Å; A830-T838 WeakPolarHBondContact O-CG2 3.38Å; K833-T838 HydrophobicContact CB-CG2 4.36Å; T838-S840 PolarHBondContact O-N 3.24Å; T838-S840 VanDerWaalsContact O-N 3.1Å; T838-N841 WeakPolarHBondContact CA-ND2 3.28Å; T838-N841 PolarHBondContact O-N 3.43Å; T838-N841 PolarHBondContact O-ND2 3.28Å
839	I	59	Low	64.7	Low	7 Å²	7	48.4 Å²	48.4	4%	0.036	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-36.2	-177.9	-65	172.7	0	0	0	112.5	L756 D760 H764 Y804 L805 N841 I843	L756-I839 HydrophobicContact CD2-CG2 3.62Å; D760-I839 HydrophobicContact CB-CB 4.3Å; D760-I839 HydrophobicContact CB-CG1 3.49Å; D760-I839 VanDerWaalsContact CB-CG1 3.49Å; H764-I839 HydrophobicContact CB-CD1 3.73Å; Y804-I839 HydrophobicContact CD1-CD1 4.33Å; Y804-I839 HydrophobicContact CE1-CD1 3.53Å; L805-I839 HydrophobicContact CD2-CG2 3.36Å; I839-N841 PolarHBondContact O-N 3.48Å; I839-I843 WeakPolarHBondContact O-CD1 3.46Å
840	S	58.4	Low	66.9	Low	7 Å²	7	50.5 Å²	50.5	5%	0.049	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-6.7	-172.5	44.3	0	0	0	0	115.6	A808 V837 T838 G842 I843	A808-S840 PolarHBondContact O-OG 3.29Å; V837-S840 PolarHBondContact O-OG 3.44Å; T838-S840 PolarHBondContact O-N 3.24Å; T838-S840 VanDerWaalsContact O-N 3.1Å; S840-G842 PolarHBondContact O-N 2.6Å; S840-I843 PolarHBondContact O-N 2.73Å
841	N	63.8	Low	69.2	Low	95 Å²	95	49.6 Å²	49.6	51%	0.508	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	105.3	-170.1	-67.5	-58.7	0	0	0	112.8	V837 T838 I839	V837-N841 PolarHBondContact O-ND2 3.08Å; T838-N841 WeakPolarHBondContact CA-ND2 3.28Å; T838-N841 PolarHBondContact O-N 3.43Å; T838-N841 PolarHBondContact O-ND2 3.28Å; I839-N841 PolarHBondContact O-N 3.48Å
842	G	68.8	Low	71.7	Confident	78 Å²	78	49.7 Å²	49.7	80%	0.804	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.4	-2.1	175.7	0	0	0	0	0	115.1	S840	S840-G842 PolarHBondContact O-N 2.6Å
843	I	79.3	Confident	74.1	Confident	17 Å²	17	50.2 Å²	50.2	9%	0.087	27%	0.274	C	S	.	.			trans	-80.8	135.6	175.2	-48.7	-175.8	0	0	0	109.2	L756 I839 S840 V847 C848	L756-I843 HydrophobicContact CD2-CD1 3.62Å; L756-I843 HydrophobicContact CG-CD1 4.26Å; I839-I843 WeakPolarHBondContact O-CD1 3.46Å; S840-I843 PolarHBondContact O-N 2.73Å; I843-V847 HydrophobicContact CG2-CB 3.91Å; I843-V847 HydrophobicContact CG2-CG1 3.72Å; I843-C848 VanDerWaalsContact CG2-SG 3.5Å
844	S	84.6	Confident	76.2	Confident	52 Å²	52	47.1 Å²	47.1	36%	0.364	26%	0.263	S	S	.	.			trans	-76.9	153.5	176.8	64.9	0	0	0	0	112.7	E846 V847 C848	S844-E846 PolarHBondContact O-N 3.39Å; S844-V847 PolarHBondContact O-N 3.44Å; S844-V847 VanDerWaalsContact O-N 3.08Å; S844-V847 WeakPolarHBondContact OG-CB 3.43Å; S844-V847 VanDerWaalsContact OG-CG2 3.28Å; S844-V847 WeakPolarHBondContact OG-CG2 3.12Å; S844-V847 PolarHBondContact OG-N 3.35Å; S844-C848 PolarHBondContact O-N 2.87Å; S844-C848 PolarHBondContact O-SG 3.37Å
845	D	86.2	Confident	78.4	Confident	103 Å²	103	44.6 Å²	44.6	55%	0.551	25%	0.246	S	C	*	.	H	α-helix	trans	-56.4	-39.6	174.6	-72	-32.3	0	0	0	111.6	V847 C848 E849	D845-V847 VanDerWaalsContact C-N 3.34Å; D845-V847 PolarHBondContact O-N 2.8Å; D845-C848 PolarHBondContact O-N 2.85Å; D845-E849 PolarHBondContact O-N 3.02Å
846	E	89.9	Confident	80.5	Confident	127 Å²	127	46.1 Å²	46.1	59%	0.593	25%	0.254	S	S	*	.	H	α-helix	trans	-59.5	-41.6	175.1	-69.1	-170.7	-153.3	0	0	113.1	S844 E849 K850	S844-E846 PolarHBondContact O-N 3.39Å; E846-E849 PolarHBondContact O-N 2.88Å; E846-K850 WeakPolarHBondContact O-CD 3.46Å; E846-K850 WeakPolarHBondContact O-CG 3.35Å; E846-K850 PolarHBondContact O-N 2.93Å; E846-K850 IonicContact OE2-NZ 2.78Å; E846-K850 PolarHBondContact OE2-NZ 3.38Å
847	V	90.5	Very high	82.5	Confident	10 Å²	10	47.8 Å²	47.8	6%	0.061	26%	0.264	C	S	.	.	H	α-helix	trans	-74.7	-35.4	179.9	171.3	0	0	0	0	110.3	Y752 E755 I843 S844 D845 E849 K850 I851	Y752-V847 WeakPolarHBondContact O-CG1 3.48Å; E755-V847 HydrophobicContact CB-CG1 4.27Å; E755-V847 HydrophobicContact CG-CG1 4.39Å; E755-V847 WeakPolarHBondContact OE2-CG1 3.36Å; I843-V847 HydrophobicContact CG2-CB 3.91Å; I843-V847 HydrophobicContact CG2-CG1 3.72Å; S844-V847 PolarHBondContact O-N 3.44Å; S844-V847 VanDerWaalsContact O-N 3.08Å; S844-V847 WeakPolarHBondContact OG-CB 3.43Å; S844-V847 VanDerWaalsContact OG-CG2 3.28Å; S844-V847 WeakPolarHBondContact OG-CG2 3.12Å; S844-V847 PolarHBondContact OG-N 3.35Å; D845-V847 VanDerWaalsContact C-N 3.34Å; D845-V847 PolarHBondContact O-N 2.8Å; V847-E849 VanDerWaalsContact C-N 3.3Å; V847-E849 PolarHBondContact O-N 2.72Å; V847-K850 PolarHBondContact O-N 2.98Å; V847-I851 HydrophobicContact CG1-CD1 3.72Å; V847-I851 HydrophobicContact CG1-CG1 4.23Å; V847-I851 WeakPolarHBondContact O-CB 3.26Å; V847-I851 VanDerWaalsContact O-CG1 3.24Å; V847-I851 WeakPolarHBondContact O-CG1 3.43Å; V847-I851 PolarHBondContact O-N 2.77Å
848	C	89.9	Confident	84.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.3	-36	170.4	-70.2	0	0	0	0	112.6	L805 F806 I809 I843 S844 D845 T852	L805-C848 HydrophobicContact CB-CB 4.01Å; L805-C848 HydrophobicContact CD1-CB 4.35Å; F806-C848 HydrophobicContact CD1-CB 4.45Å; F806-C848 HydrophobicContact CE1-CB 4.07Å; F806-C848 HydrophobicContact CZ-CB 4.22Å; I809-C848 HydrophobicContact CD1-CB 4.19Å; I809-C848 WeakPolarHBondContact CD1-SG 3.46Å; I843-C848 VanDerWaalsContact CG2-SG 3.5Å; S844-C848 PolarHBondContact O-N 2.87Å; S844-C848 PolarHBondContact O-SG 3.37Å; D845-C848 PolarHBondContact O-N 2.85Å; C848-T852 VanDerWaalsContact O-CB 3.25Å; C848-T852 WeakPolarHBondContact O-CB 3.47Å; C848-T852 PolarHBondContact O-N 3.43Å; C848-T852 PolarHBondContact O-OG1 3.31Å
849	E	92.4	Very high	86.3	Confident	119 Å²	119	49.2 Å²	49.2	56%	0.556	27%	0.272	S	S	*	.	H	α-helix	trans	-64	-51.8	170.6	-167.4	179.7	175.1	0	0	111.3	F806 D845 E846 V847 I851 T852 V853	F806-E849 HydrophobicContact CZ-CB 3.97Å; D845-E849 PolarHBondContact O-N 3.02Å; E846-E849 PolarHBondContact O-N 2.88Å; V847-E849 VanDerWaalsContact C-N 3.3Å; V847-E849 PolarHBondContact O-N 2.72Å; E849-I851 VanDerWaalsContact C-N 3.33Å; E849-I851 PolarHBondContact O-N 3.28Å; E849-T852 PolarHBondContact O-N 3.08Å; E849-V853 HydrophobicContact CG-CG2 4.27Å; E849-V853 WeakPolarHBondContact O-CG2 3.36Å; E849-V853 PolarHBondContact O-N 3.42Å
850	K	93.9	Very high	88	Confident	96 Å²	96	55.2 Å²	55.2	42%	0.417	30%	0.295	S	S	.	.	H	α-helix	trans	-56	-44.8	179	-67.8	158.7	-161.8	165.5	0	111.7	Y752 E846 V847 S854	Y752-K850 HydrophobicContact CD2-CB 3.99Å; Y752-K850 HydrophobicContact CG-CB 4.19Å; E846-K850 WeakPolarHBondContact O-CD 3.46Å; E846-K850 WeakPolarHBondContact O-CG 3.35Å; E846-K850 PolarHBondContact O-N 2.93Å; E846-K850 IonicContact OE2-NZ 2.78Å; E846-K850 PolarHBondContact OE2-NZ 3.38Å; V847-K850 PolarHBondContact O-N 2.98Å; K850-S854 WeakPolarHBondContact O-CB 3.24Å; K850-S854 PolarHBondContact O-N 3.07Å
851	I	93.5	Very high	89.7	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64	-45	174.5	-64	162.2	0	0	0	111.2	Y752 W753 L756 L805 V847 E849 S854 A855	Y752-I851 HydrophobicContact CD2-CG1 3.97Å; Y752-I851 WeakPolarHBondContact O-CG1 3.45Å; W753-I851 HydrophobicContact CD2-CG2 4.2Å; W753-I851 HydrophobicContact CE3-CG2 4.08Å; W753-I851 HydrophobicContact CH2-CG2 3.74Å; W753-I851 HydrophobicContact CZ2-CG2 3.89Å; W753-I851 HydrophobicContact CZ3-CG2 3.85Å; L756-I851 HydrophobicContact CD1-CD1 3.97Å; L756-I851 HydrophobicContact CD1-CG2 4.35Å; L756-I851 HydrophobicContact CD2-CD1 4.29Å; L756-I851 HydrophobicContact CG-CD1 3.94Å; L805-I851 HydrophobicContact CD1-CB 3.8Å; L805-I851 HydrophobicContact CD1-CD1 3.79Å; L805-I851 HydrophobicContact CD1-CG1 4.42Å; L805-I851 HydrophobicContact CD1-CG2 3.59Å; V847-I851 HydrophobicContact CG1-CD1 3.72Å; V847-I851 HydrophobicContact CG1-CG1 4.23Å; V847-I851 WeakPolarHBondContact O-CB 3.26Å; V847-I851 VanDerWaalsContact O-CG1 3.24Å; V847-I851 WeakPolarHBondContact O-CG1 3.43Å; V847-I851 PolarHBondContact O-N 2.77Å; E849-I851 VanDerWaalsContact C-N 3.33Å; E849-I851 PolarHBondContact O-N 3.28Å; I851-S854 WeakPolarHBondContact O-CB 3.47Å; I851-S854 PolarHBondContact O-N 3.22Å; I851-A855 WeakPolarHBondContact O-CB 3.46Å; I851-A855 PolarHBondContact O-N 2.92Å
852	T	94.2	Very high	91	Very high	9 Å²	9	52.6 Å²	52.6	6%	0.055	28%	0.279	C	S	.	.	H	α-helix	trans	-63.9	-46.6	-178.8	-60.6	0	0	0	0	111.7	F806 C848 E849 S854 A855 Q856	F806-T852 HydrophobicContact CE2-CG2 4.3Å; F806-T852 WeakPolarHBondContact CE2-OG1 3.35Å; C848-T852 VanDerWaalsContact O-CB 3.25Å; C848-T852 WeakPolarHBondContact O-CB 3.47Å; C848-T852 PolarHBondContact O-N 3.43Å; C848-T852 PolarHBondContact O-OG1 3.31Å; E849-T852 PolarHBondContact O-N 3.08Å; T852-S854 PolarHBondContact O-N 3.46Å; T852-A855 PolarHBondContact O-N 3.32Å; T852-Q856 WeakPolarHBondContact O-CG 3.19Å; T852-Q856 PolarHBondContact O-N 2.94Å
853	V	95.3	Very high	92	Very high	71 Å²	71	50 Å²	50	43%	0.43	25%	0.249	S	C	.	.	H	α-helix	trans	-62.6	-42.6	176.2	173.2	0	0	0	0	110.8	E849 A855 Q856 Q857	E849-V853 HydrophobicContact CG-CG2 4.27Å; E849-V853 WeakPolarHBondContact O-CG2 3.36Å; E849-V853 PolarHBondContact O-N 3.42Å; V853-A855 PolarHBondContact O-N 3.29Å; V853-Q856 PolarHBondContact O-N 3.28Å; V853-Q857 PolarHBondContact O-N 3.11Å
854	S	95.2	Very high	92.6	Very high	14 Å²	14	56 Å²	56	10%	0.098	28%	0.275	C	S	.	.	H	α-helix	trans	-59.7	-44.8	173.2	-177.4	0	0	0	0	112.1	Y752 W753 K850 I851 T852 Q857 I858	Y752-S854 VanDerWaalsContact CE2-CB 3.46Å; Y752-S854 VanDerWaalsContact OH-CB 3.23Å; Y752-S854 WeakPolarHBondContact OH-CB 3.32Å; Y752-S854 PolarHBondContact OH-OG 3.08Å; W753-S854 PolarHBondContact NE1-OG 3.16Å; K850-S854 WeakPolarHBondContact O-CB 3.24Å; K850-S854 PolarHBondContact O-N 3.07Å; I851-S854 WeakPolarHBondContact O-CB 3.47Å; I851-S854 PolarHBondContact O-N 3.22Å; T852-S854 PolarHBondContact O-N 3.46Å; S854-Q857 WeakPolarHBondContact O-CB 3.25Å; S854-Q857 PolarHBondContact O-N 2.86Å; S854-I858 WeakPolarHBondContact O-CD1 3.09Å; S854-I858 VanDerWaalsContact O-CG1 3.26Å; S854-I858 WeakPolarHBondContact O-CG1 3.41Å; S854-I858 PolarHBondContact O-N 2.82Å
855	A	95.9	Very high	92.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.7	-42.6	178	0	0	0	0	0	111.2	W753 M800 A801 I851 T852 V853 Q857 I858 V859	W753-A855 HydrophobicContact CH2-CB 4.16Å; W753-A855 HydrophobicContact CZ2-CB 4.29Å; M800-A855 HydrophobicContact CB-CB 3.58Å; A801-A855 HydrophobicContact CB-CB 4Å; I851-A855 WeakPolarHBondContact O-CB 3.46Å; I851-A855 PolarHBondContact O-N 2.92Å; T852-A855 PolarHBondContact O-N 3.32Å; V853-A855 PolarHBondContact O-N 3.29Å; A855-Q857 VanDerWaalsContact C-N 3.29Å; A855-Q857 PolarHBondContact O-N 3.21Å; A855-I858 PolarHBondContact O-N 3.5Å; A855-I858 VanDerWaalsContact O-N 3.11Å; A855-V859 WeakPolarHBondContact O-CG2 3.47Å; A855-V859 PolarHBondContact O-N 3.35Å
856	Q	96.1	Very high	92.9	Very high	85 Å²	85	54 Å²	54	40%	0.397	26%	0.259	S	S	.	.	H	α-helix	trans	-61.4	-34.8	173.7	-70.3	172	8.5	0	0	112.5	A801 T852 V853 R860	A801-Q856 HydrophobicContact CB-CB 4.37Å; A801-Q856 HydrophobicContact CB-CG 3.68Å; A801-Q856 WeakPolarHBondContact O-CG 3.42Å; A801-Q856 PolarHBondContact O-NE2 2.89Å; T852-Q856 WeakPolarHBondContact O-CG 3.19Å; T852-Q856 PolarHBondContact O-N 2.94Å; V853-Q856 PolarHBondContact O-N 3.28Å; Q856-R860 WeakPolarHBondContact O-CG 3.26Å; Q856-R860 PolarHBondContact O-N 3Å; Q856-R860 PolarHBondContact O-NE 2.85Å
857	Q	95.4	Very high	92.9	Very high	103 Å²	103	48.1 Å²	48.1	48%	0.481	23%	0.231	S	C	.	.	H	α-helix	trans	-68.1	-43.1	170.9	178.8	161.1	-59.7	0	0	112.2	V853 S854 A855 R860 Q861	V853-Q857 PolarHBondContact O-N 3.11Å; S854-Q857 WeakPolarHBondContact O-CB 3.25Å; S854-Q857 PolarHBondContact O-N 2.86Å; A855-Q857 VanDerWaalsContact C-N 3.29Å; A855-Q857 PolarHBondContact O-N 3.21Å; Q857-R860 WeakPolarHBondContact O-CB 3.26Å; Q857-R860 PolarHBondContact O-N 3.23Å; Q857-Q861 WeakPolarHBondContact O-CG 3.5Å; Q857-Q861 PolarHBondContact O-N 3.34Å
858	I	95.7	Very high	92.9	Very high	9 Å²	9	50.3 Å²	50.3	5%	0.046	24%	0.239	C	C	.	.	H	α-helix	trans	-66.1	-43.9	-179.6	-70.7	161.8	0	0	0	111.8	F746 W753 F797 S854 A855 R860 Q861 I862 V870	F746-I858 HydrophobicContact CE1-CD1 4.36Å; F746-I858 HydrophobicContact CE2-CD1 4.12Å; F746-I858 HydrophobicContact CZ-CD1 3.5Å; W753-I858 HydrophobicContact CZ2-CD1 4.06Å; F797-I858 HydrophobicContact CB-CG2 4.04Å; F797-I858 HydrophobicContact CD1-CB 4.22Å; F797-I858 HydrophobicContact CD1-CD1 4.07Å; F797-I858 HydrophobicContact CD1-CG2 3.71Å; F797-I858 HydrophobicContact CD2-CG2 3.5Å; F797-I858 HydrophobicContact CE1-CD1 3.74Å; F797-I858 HydrophobicContact CE1-CG2 3.97Å; F797-I858 HydrophobicContact CE2-CG2 3.76Å; F797-I858 HydrophobicContact CG-CB 4.33Å; F797-I858 HydrophobicContact CG-CG2 3.47Å; F797-I858 VanDerWaalsContact CG-CG2 3.47Å; F797-I858 HydrophobicContact CZ-CD1 4.3Å; F797-I858 HydrophobicContact CZ-CG2 3.99Å; S854-I858 WeakPolarHBondContact O-CD1 3.09Å; S854-I858 VanDerWaalsContact O-CG1 3.26Å; S854-I858 WeakPolarHBondContact O-CG1 3.41Å; S854-I858 PolarHBondContact O-N 2.82Å; A855-I858 PolarHBondContact O-N 3.5Å; A855-I858 VanDerWaalsContact O-N 3.11Å; I858-R860 VanDerWaalsContact C-N 3.26Å; I858-R860 PolarHBondContact O-N 3.49Å; I858-Q861 PolarHBondContact O-N 2.69Å; I858-Q861 VanDerWaalsContact O-N 3.08Å; I858-I862 HydrophobicContact CG2-CD1 3.85Å; I858-I862 HydrophobicContact CG2-CG1 4.36Å; I858-I862 WeakPolarHBondContact O-CG1 3.37Å; I858-I862 PolarHBondContact O-N 3.42Å; I858-V870 HydrophobicContact CG1-CG1 4.2Å; I858-V870 HydrophobicContact CG1-CG2 4.41Å; I858-V870 HydrophobicContact CG2-CB 4.46Å; I858-V870 HydrophobicContact CG2-CG1 3.6Å; I858-V870 HydrophobicContact CG2-CG2 3.95Å
859	V	94.8	Very high	93	Very high	31 Å²	31	55.6 Å²	55.6	19%	0.188	26%	0.262	C	S	.	.	H	α-helix	trans	-57.1	-41.3	174.5	172.7	0	0	0	0	111	F797 E798 A801 A855 A863	F797-V859 VanDerWaalsContact C-CG2 3.44Å; F797-V859 HydrophobicContact CB-CG2 3.81Å; F797-V859 WeakPolarHBondContact O-CG2 3.48Å; E798-V859 HydrophobicContact CG-CG1 4.26Å; E798-V859 HydrophobicContact CG-CG2 4.12Å; A801-V859 HydrophobicContact CB-CG2 3.95Å; A855-V859 WeakPolarHBondContact O-CG2 3.47Å; A855-V859 PolarHBondContact O-N 3.35Å; V859-A863 VanDerWaalsContact O-CB 3.26Å; V859-A863 WeakPolarHBondContact O-CB 3.24Å; V859-A863 PolarHBondContact O-N 2.94Å
860	R	95.1	Very high	93	Very high	134 Å²	134	50.4 Å²	50.4	51%	0.506	24%	0.238	S	C	.	.	H	α-helix	trans	-64.2	-45.6	173.2	-72.8	176	-73.8	164.7	-2.2	111.9	Q856 Q857 I858 I862 A863 F864	Q856-R860 WeakPolarHBondContact O-CG 3.26Å; Q856-R860 PolarHBondContact O-N 3Å; Q856-R860 PolarHBondContact O-NE 2.85Å; Q857-R860 WeakPolarHBondContact O-CB 3.26Å; Q857-R860 PolarHBondContact O-N 3.23Å; I858-R860 VanDerWaalsContact C-N 3.26Å; I858-R860 PolarHBondContact O-N 3.49Å; R860-I862 PolarHBondContact O-N 2.93Å; R860-A863 WeakPolarHBondContact O-CB 3.39Å; R860-A863 PolarHBondContact O-N 3.06Å; R860-F864 WeakPolarHBondContact O-CD2 3.43Å; R860-F864 PolarHBondContact O-N 2.95Å; R860-F864 VanDerWaalsContact O-N 3.07Å
861	Q	92.7	Very high	92.9	Very high	40 Å²	40	46.2 Å²	46.2	19%	0.187	22%	0.221	C	C	.	.	H	α-helix	trans	-60.8	-43.3	177.5	-72.2	-176	10	0	0	112.2	Q857 I858 F864 N865 Q866 V870	Q857-Q861 WeakPolarHBondContact O-CG 3.5Å; Q857-Q861 PolarHBondContact O-N 3.34Å; I858-Q861 PolarHBondContact O-N 2.69Å; I858-Q861 VanDerWaalsContact O-N 3.08Å; Q861-F864 PolarHBondContact O-N 3.25Å; Q861-N865 PolarHBondContact O-N 3.31Å; Q861-Q866 HydrophobicContact CB-CB 4.22Å; Q861-Q866 WeakPolarHBondContact O-CA 3.33Å; Q861-Q866 WeakPolarHBondContact O-CB 3.2Å; Q861-Q866 PolarHBondContact O-N 3.42Å; Q861-V870 HydrophobicContact CB-CG2 3.84Å; Q861-V870 VanDerWaalsContact OE1-CG2 3.28Å
862	I	91.4	Very high	92.7	Very high	6 Å²	6	49.4 Å²	49.4	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-60	-49	173.5	-64.3	168.8	0	0	0	110.1	R794 F797 I858 R860 F864 N865 L867 V870	R794-I862 HydrophobicContact CG-CG2 4.1Å; F797-I862 HydrophobicContact CD2-CD1 3.9Å; I858-I862 HydrophobicContact CG2-CD1 3.85Å; I858-I862 HydrophobicContact CG2-CG1 4.36Å; I858-I862 WeakPolarHBondContact O-CG1 3.37Å; I858-I862 PolarHBondContact O-N 3.42Å; R860-I862 PolarHBondContact O-N 2.93Å; I862-F864 PolarHBondContact O-N 3.5Å; I862-F864 VanDerWaalsContact O-N 3.11Å; I862-N865 PolarHBondContact O-N 2.91Å; I862-L867 HydrophobicContact CG1-CD1 4.1Å; I862-V870 HydrophobicContact CG1-CG2 4.46Å
863	A	90	Very high	92.4	Very high	23 Å²	23	50.9 Å²	50.9	19%	0.19	26%	0.26	C	S	.	.	H	α-helix	trans	-58	-25.6	178.9	0	0	0	0	0	114.5	Q482 V859 R860	Q482-A863 VanDerWaalsContact NE2-CA 3.28Å; Q482-A863 VanDerWaalsContact NE2-CB 3.28Å; Q482-A863 PolarHBondContact NE2-O 3.29Å; V859-A863 VanDerWaalsContact O-CB 3.26Å; V859-A863 WeakPolarHBondContact O-CB 3.24Å; V859-A863 PolarHBondContact O-N 2.94Å; R860-A863 WeakPolarHBondContact O-CB 3.39Å; R860-A863 PolarHBondContact O-N 3.06Å
864	F	91.5	Very high	92.1	Very high	144 Å²	144	55.4 Å²	55.4	63%	0.632	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	18.2	175.3	-66.9	-63.1	0	0	0	114.1	R860 Q861 I862 Q866	R860-F864 WeakPolarHBondContact O-CD2 3.43Å; R860-F864 PolarHBondContact O-N 2.95Å; R860-F864 VanDerWaalsContact O-N 3.07Å; Q861-F864 PolarHBondContact O-N 3.25Å; I862-F864 PolarHBondContact O-N 3.5Å; I862-F864 VanDerWaalsContact O-N 3.11Å; F864-Q866 HydrophobicContact CB-CG 4.28Å; F864-Q866 PolarHBondContact O-N 2.85Å
865	N	86.9	Confident	91.6	Very high	54 Å²	54	58.6 Å²	58.6	29%	0.289	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	22.6	-177.5	-51.1	-87.8	0	0	0	114.8	T484 Q861 I862 L867	T484-N865 WeakPolarHBondContact CB-OD1 3.38Å; Q861-N865 PolarHBondContact O-N 3.31Å; I862-N865 PolarHBondContact O-N 2.91Å; N865-L867 VanDerWaalsContact C-N 3.33Å; N865-L867 PolarHBondContact O-N 2.95Å
866	Q	90.5	Very high	91	Very high	60 Å²	60	61.4 Å²	61.4	28%	0.28	31%	0.312	S	S	.	.			trans	-95.5	25.7	-178.7	-51.9	-170.5	20.9	0	0	113.2	Q861 F864 Y868 K869	Q861-Q866 HydrophobicContact CB-CB 4.22Å; Q861-Q866 WeakPolarHBondContact O-CA 3.33Å; Q861-Q866 WeakPolarHBondContact O-CB 3.2Å; Q861-Q866 PolarHBondContact O-N 3.42Å; F864-Q866 HydrophobicContact CB-CG 4.28Å; F864-Q866 PolarHBondContact O-N 2.85Å; Q866-Y868 HydrophobicContact CB-CE1 4.26Å; Q866-Y868 PolarHBondContact O-N 3.47Å; Q866-K869 HydrophobicContact CB-CD 4.23Å; Q866-K869 HydrophobicContact CB-CG 4.4Å; Q866-K869 WeakPolarHBondContact O-CB 3.39Å; Q866-K869 PolarHBondContact O-N 3.34Å; Q866-K869 VanDerWaalsContact OE1-CE 3.31Å
867	L	90.4	Very high	89.9	Confident	3 Å²	3	64.5 Å²	64.5	2%	0.016	33%	0.331	C	S	.	.	H	α-helix	trans	-53.4	-28.2	179.4	177.8	63.7	0	0	0	113.4	E489 I493 L793 I862 N865 K869 V870 L871	E489-L867 HydrophobicContact CB-CD2 4.11Å; E489-L867 HydrophobicContact CG-CD2 4.42Å; I493-L867 HydrophobicContact CG1-CD2 4.08Å; L793-L867 HydrophobicContact CD2-CD1 3.99Å; I862-L867 HydrophobicContact CG1-CD1 4.1Å; N865-L867 VanDerWaalsContact C-N 3.33Å; N865-L867 PolarHBondContact O-N 2.95Å; L867-K869 VanDerWaalsContact C-N 3.27Å; L867-K869 PolarHBondContact O-N 3.13Å; L867-V870 HydrophobicContact CD1-CB 4.37Å; L867-V870 PolarHBondContact O-N 2.87Å; L867-L871 HydrophobicContact CD1-CD1 3.95Å; L867-L871 HydrophobicContact CD1-CD2 4.49Å; L867-L871 HydrophobicContact CD1-CG 3.94Å; L867-L871 HydrophobicContact CD2-CD1 4.25Å; L867-L871 HydrophobicContact CG-CD1 3.79Å; L867-L871 HydrophobicContact CG-CG 4.18Å; L867-L871 WeakPolarHBondContact O-CG 3.4Å; L867-L871 PolarHBondContact O-N 3.01Å
868	Y	90.9	Very high	87.9	Confident	56 Å²	56	63.7 Å²	63.7	22%	0.22	34%	0.336	C	S	.	.	H	α-helix	trans	-59.4	-35.7	174.6	62.8	-90.8	0	0	0	113	Y492 Q866 L871 G872 M873 P875	Y492-Y868 HydrophobicContact CE1-CG 4.39Å; Y492-Y868 HydrophobicContact CE2-CD1 4.31Å; Y492-Y868 AromaticContact CZ-CD1 3.96Å; Q866-Y868 HydrophobicContact CB-CE1 4.26Å; Q866-Y868 PolarHBondContact O-N 3.47Å; Y868-L871 PolarHBondContact O-N 3.38Å; Y868-G872 PolarHBondContact O-N 3.05Å; Y868-G872 VanDerWaalsContact O-N 3.15Å; Y868-M873 PolarHBondContact O-N 3.39Å; Y868-P875 HydrophobicContact CD1-CB 4.47Å; Y868-P875 HydrophobicContact CD2-CB 4.31Å; Y868-P875 HydrophobicContact CE1-CB 4.49Å; Y868-P875 HydrophobicContact CE2-CB 4.34Å; Y868-P875 HydrophobicContact CG-CB 4.4Å
869	K	91.5	Very high	85.4	Confident	110 Å²	110	67.9 Å²	67.9	48%	0.478	37%	0.365	S	S	.	.	H	α-helix	trans	-66.1	-47.4	175.1	-60	-172.9	177.8	175.2	0	111.5	Q866 L867 L871 G872	Q866-K869 HydrophobicContact CB-CD 4.23Å; Q866-K869 HydrophobicContact CB-CG 4.4Å; Q866-K869 WeakPolarHBondContact O-CB 3.39Å; Q866-K869 PolarHBondContact O-N 3.34Å; Q866-K869 VanDerWaalsContact OE1-CE 3.31Å; L867-K869 VanDerWaalsContact C-N 3.27Å; L867-K869 PolarHBondContact O-N 3.13Å; K869-L871 PolarHBondContact O-N 2.89Å; K869-G872 PolarHBondContact O-N 3.28Å
870	V	91.4	Very high	82.5	Confident	11 Å²	11	74.2 Å²	74.2	7%	0.067	39%	0.392	C	S	.	.	H	α-helix	trans	-57.3	-37	177.2	-176.7	0	0	0	0	111.6	F746 F797 I858 Q861 I862 L867	F746-V870 HydrophobicContact CE2-CG1 4.33Å; F797-V870 HydrophobicContact CE2-CG1 4.29Å; F797-V870 HydrophobicContact CZ-CG1 4.37Å; I858-V870 HydrophobicContact CG1-CG1 4.2Å; I858-V870 HydrophobicContact CG1-CG2 4.41Å; I858-V870 HydrophobicContact CG2-CB 4.46Å; I858-V870 HydrophobicContact CG2-CG1 3.6Å; I858-V870 HydrophobicContact CG2-CG2 3.95Å; Q861-V870 HydrophobicContact CB-CG2 3.84Å; Q861-V870 VanDerWaalsContact OE1-CG2 3.28Å; I862-V870 HydrophobicContact CG1-CG2 4.46Å; L867-V870 HydrophobicContact CD1-CB 4.37Å; L867-V870 PolarHBondContact O-N 2.87Å
871	L	91.8	Very high	79.5	Confident	8 Å²	8	75.3 Å²	75.3	4%	0.042	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	1.3	-177	-62.7	-179.5	0	0	0	114.1	I493 K496 I742 L793 L867 Y868 K869 M873	I493-L871 HydrophobicContact CG1-CD1 4.48Å; K496-L871 HydrophobicContact CB-CD1 4.19Å; K496-L871 HydrophobicContact CD-CB 4.29Å; K496-L871 WeakPolarHBondContact CD-O 3.36Å; K496-L871 WeakPolarHBondContact CE-O 3.41Å; K496-L871 HydrophobicContact CG-CB 4.3Å; K496-L871 HydrophobicContact CG-CD1 4.47Å; K496-L871 HydrophobicContact CG-CD2 4.44Å; K496-L871 PolarHBondContact NZ-O 3.42Å; I742-L871 HydrophobicContact CG2-CD2 3.56Å; L793-L871 HydrophobicContact CD2-CD2 4.49Å; L867-L871 HydrophobicContact CD1-CD1 3.95Å; L867-L871 HydrophobicContact CD1-CD2 4.49Å; L867-L871 HydrophobicContact CD1-CG 3.94Å; L867-L871 HydrophobicContact CD2-CD1 4.25Å; L867-L871 HydrophobicContact CG-CD1 3.79Å; L867-L871 HydrophobicContact CG-CG 4.18Å; L867-L871 WeakPolarHBondContact O-CG 3.4Å; L867-L871 PolarHBondContact O-N 3.01Å; Y868-L871 PolarHBondContact O-N 3.38Å; K869-L871 PolarHBondContact O-N 2.89Å; L871-M873 HydrophobicContact CB-CE 3.73Å; L871-M873 HydrophobicContact CB-CG 4.46Å; L871-M873 HydrophobicContact CD1-CE 3.67Å; L871-M873 HydrophobicContact CG-CE 4.35Å
872	G	89.8	Confident	76.5	Confident	67 Å²	67	78.3 Å²	78.3	69%	0.691	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	49.6	-177.2	0	0	0	0	0	112.8	Y868 K869	Y868-G872 PolarHBondContact O-N 3.05Å; Y868-G872 VanDerWaalsContact O-N 3.15Å; K869-G872 PolarHBondContact O-N 3.28Å
873	M	89	Confident	73.6	Confident	39 Å²	39	85.4 Å²	85.4	19%	0.192	47%	0.471	C	S	.	.			trans	-130.8	153.6	179.5	-68.4	-170.4	-65.1	0	0	112.1	Y492 K496 Y868 L871	Y492-M873 HydrophobicContact CD1-CE 3.66Å; Y492-M873 HydrophobicContact CG-CE 4.19Å; Y492-M873 WeakPolarHBondContact O-CE 3.43Å; K496-M873 HydrophobicContact CB-CE 3.85Å; K496-M873 HydrophobicContact CB-SD 3.74Å; K496-M873 HydrophobicContact CD-CG 4.17Å; K496-M873 HydrophobicContact CD-SD 4.18Å; Y868-M873 PolarHBondContact O-N 3.39Å; L871-M873 HydrophobicContact CB-CE 3.73Å; L871-M873 HydrophobicContact CB-CG 4.46Å; L871-M873 HydrophobicContact CD1-CE 3.67Å; L871-M873 HydrophobicContact CG-CE 4.35Å
874	E	87.3	Confident	70.9	Confident	167 Å²	167	92.3 Å²	92.3	78%	0.78	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-63.2	152.3	164.7	-64.9	-172.7	158.6	0	0	111.9	L876	E874-L876 PolarHBondContact O-N 3.3Å
875	P	86.3	Confident	68	Low	81 Å²	81	92.1 Å²	92.1	53%	0.526	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-66.6	120.4	174.4	27.7	-34	0	0	0	110.9	Y492 Y868 N877	Y492-P875 VanDerWaalsContact OH-CA 3.3Å; Y492-P875 WeakPolarHBondContact OH-CA 3.47Å; Y868-P875 HydrophobicContact CD1-CB 4.47Å; Y868-P875 HydrophobicContact CD2-CB 4.31Å; Y868-P875 HydrophobicContact CE1-CB 4.49Å; Y868-P875 HydrophobicContact CE2-CB 4.34Å; Y868-P875 HydrophobicContact CG-CB 4.4Å; P875-N877 PolarHBondContact O-N 3Å
876	L	81.6	Confident	65.6	Low	59 Å²	59	97.2 Å²	97.2	31%	0.309	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-65.2	127.9	178.7	-74.2	173.6	0	0	0	110.2	R491 Y492 E874 S878	R491-L876 HydrophobicContact CB-CD1 3.92Å; Y492-L876 HydrophobicContact CD1-CB 4.35Å; Y492-L876 HydrophobicContact CD1-CD1 3.54Å; Y492-L876 HydrophobicContact CD1-CG 3.73Å; Y492-L876 HydrophobicContact CE1-CB 3.69Å; Y492-L876 HydrophobicContact CE1-CD1 3.77Å; Y492-L876 HydrophobicContact CE1-CG 3.47Å; Y492-L876 VanDerWaalsContact CE1-CG 3.47Å; Y492-L876 VanDerWaalsContact CE1-N 3.34Å; Y492-L876 HydrophobicContact CG-CD1 4.12Å; Y492-L876 PolarHBondContact OH-N 3.27Å; E874-L876 PolarHBondContact O-N 3.3Å; L876-S878 PolarHBondContact O-N 3.32Å
877	N	74.3	Confident	62.7	Low	150 Å²	150	100.2 Å²	100.2	80%	0.802	56%	0.557	S	S	*	*			trans	-44.1	124.5	177.3	-76.8	-28.4	0	0	0	111.8	R491 P875	R491-N877 PolarHBondContact NH1-O 2.87Å; P875-N877 PolarHBondContact O-N 3Å
878	S	52.4	Low	60	Low	85 Å²	85	104 Å²	104	59%	0.594	60%	0.597	S	S	*	*			trans	-72.8	135.7	170.1	57.7	0	0	0	0	108.7	L876 Q880	L876-S878 PolarHBondContact O-N 3.32Å; S878-Q880 PolarHBondContact O-N 3.23Å
879	P	42.9	Very low	57.4	Low	98 Å²	98	105 Å²	105	64%	0.636	63%	0.625	S	S	*	*			trans	-63.6	106.8	170	-19.2	32.2	0	0	0	108.7	N881	P879-N881 PolarHBondContact O-N 3.08Å; P879-N881 VanDerWaalsContact O-N 3.15Å
880	Q	34.7	Very low	54.6	Low	163 Å²	163	108.1 Å²	108.1	76%	0.762	64%	0.638	S	S	*	*			trans	-72.4	105.1	170.8	-71.4	-172.6	-5.8	0	0	108.3	S878 S882	S878-Q880 PolarHBondContact O-N 3.23Å; Q880-S882 PolarHBondContact O-N 3.35Å; Q880-S882 PolarHBondContact O-OG 3.46Å
881	N	32.3	Very low	51.9	Low	157 Å²	157	119.5 Å²	119.5	84%	0.84	68%	0.68	S	S	*	*			trans	-65.7	82.4	166.7	-82.9	0.6	0	0	0	109.2	P879 D883	P879-N881 PolarHBondContact O-N 3.08Å; P879-N881 VanDerWaalsContact O-N 3.15Å; N881-D883 PolarHBondContact O-N 3.07Å
882	S	28.8	Very low	49.1	Very low	103 Å²	103	125.4 Å²	125.4	72%	0.72	71%	0.708	S	S	*	*			trans	-86.2	35.5	178	32.9	0	0	0	0	111.6	Q880	Q880-S882 PolarHBondContact O-N 3.35Å; Q880-S882 PolarHBondContact O-OG 3.46Å
883	D	30.8	Very low	46.7	Very low	156 Å²	156	131.7 Å²	131.7	83%	0.834	72%	0.719	S	S	*	*			trans	-140.5	38.6	-169.4	-103.3	-36.9	0	0	0	112.6	N881	N881-D883 PolarHBondContact O-N 3.07Å
884	F	32.5	Very low	44	Very low	167 Å²	167	137.4 Å²	137.4	73%	0.732	75%	0.75	S	S	*	*			trans	-149.2	70.6	161	-153.1	-95.4	0	0	0	113.8	Q886	F884-Q886 HydrophobicContact CE1-CB 4.46Å; F884-Q886 HydrophobicContact CZ-CB 4.38Å
885	V	30.7	Very low	41.7	Very low	140 Å²	140	134.9 Å²	134.9	85%	0.848	75%	0.751	S	S	*	*			trans	-105.5	96.5	160.9	-178.9	0	0	0	0	108.3
886	Q	37.2	Very low	39.3	Very low	162 Å²	162	138.3 Å²	138.3	76%	0.757	77%	0.765	S	S	*	*			trans	-125.1	123	164.4	-76.4	-164.7	-17.2	0	0	110	F884	F884-Q886 HydrophobicContact CE1-CB 4.46Å; F884-Q886 HydrophobicContact CZ-CB 4.38Å
887	S	30.7	Very low	37.2	Very low	122 Å²	122	141.6 Å²	141.6	85%	0.853	79%	0.787	S	S	*	*			trans	-86.2	146.1	-177.2	-47.7	0	0	0	0	111.8
888	G	33.6	Very low	35.6	Very low	83 Å²	83	139.2 Å²	139.2	86%	0.856	78%	0.782	S	S	*	*			trans	135.8	128.7	170.7	0	0	0	0	0	112.8
889	G	34.6	Very low	34.8	Very low	78 Å²	78	144.7 Å²	144.7	80%	0.804	80%	0.798	S	S	*	*			cis	-169.7	167.8	-3	0	0	0	0	0	113.2
890	K	34	Very low	34.5	Very low	174 Å²	174	144 Å²	144	76%	0.757	81%	0.808	S	S	*	*			trans	-25.7	139.5	-178.3	-59.1	-174.5	166.9	-147.2	0	117.9	E892	K890-E892 IonicContact NZ-OE1 3.87Å; K890-E892 PolarHBondContact NZ-OE1 3.02Å
891	R	34	Very low	34.4	Very low	251 Å²	251	145 Å²	145	95%	0.947	81%	0.813	S	S	*	*				-148.1	122.2	127.4	-130.6	172	-176.1	162.8	1.6	110.3
892	E	33.1	Very low	34.7	Very low	132 Å²	132	145.4 Å²	145.4	62%	0.617	82%	0.816	S	S	*	*			trans	-85.5	149.5	-178.7	-63.5	117.6	159.6	0	0	112.1	K890	K890-E892 IonicContact NZ-OE1 3.87Å; K890-E892 PolarHBondContact NZ-OE1 3.02Å
893	Q	39.4	Very low	34.8	Very low	198 Å²	198	146 Å²	146	93%	0.925	82%	0.815	S	S	*	*			trans	-148.5	115.1	149.5	-108.4	178.6	-3.4	0	0	107.5
894	N	31.7	Very low	35.2	Very low	160 Å²	160	143.9 Å²	143.9	86%	0.856	81%	0.813	S	S	*	*			trans	-105.5	149.4	179.5	-73.9	-10.7	0	0	0	110.4
895	S	39	Very low	35.4	Very low	113 Å²	113	144.1 Å²	144.1	79%	0.79	82%	0.816	S	S	*	*			trans	-150.1	139.2	152.5	57.8	0	0	0	0	108.7
896	D	37.1	Very low	35.9	Very low	154 Å²	154	143.8 Å²	143.8	82%	0.824	81%	0.814	S	S	*	*			trans	-50.3	160.9	-170.2	-45.6	-70.8	0	0	0	114.6
897	V	37.9	Very low	35.8	Very low	128 Å²	128	144.6 Å²	144.6	78%	0.776	82%	0.818	S	S	*	*				-160.3	140.1	62.4	161.2	0	0	0	0	113.5
898	S	40	Very low	35.8	Very low	100 Å²	100	144.1 Å²	144.1	70%	0.699	81%	0.813	S	S	*	*			trans	33.9	107.5	153.2	-54.5	0	0	0	0	123.6
899	Q	35.1	Very low	36	Very low	200 Å²	200	145 Å²	145	94%	0.935	81%	0.806	S	S	*	*				41.3	131.6	118.8	-65.5	-177.4	-15.9	0	0	122.3
900	G	37	Very low	36	Very low	82 Å²	82	146.9 Å²	146.9	85%	0.845	80%	0.802	S	S	*	*			trans	180	90.4	160.3	0	0	0	0	0	112.8
901	Q	33.3	Very low	36.1	Very low	184 Å²	184	145.8 Å²	145.8	86%	0.86	81%	0.805	S	S	*	*			trans	-107.4	152.3	174.6	-68.8	178.8	-84.2	0	0	111.2
902	N	37.7	Very low	36.3	Very low	167 Å²	167	140.8 Å²	140.8	89%	0.893	80%	0.797	S	S	*	*			trans	-163.3	162.3	148.6	-99	-25.6	0	0	0	110.5
903	T	32.3	Very low	36.5	Very low	114 Å²	114	140.7 Å²	140.7	70%	0.699	80%	0.798	S	S	*	*			trans	-144.6	147.3	-156.3	48.3	0	0	0	0	114.8
904	S	38.3	Very low	36.5	Very low	113 Å²	113	139 Å²	139	79%	0.79	79%	0.787	S	S	*	*			trans	-169.4	132.2	154.3	45.4	0	0	0	0	107.9
905	E	37.7	Very low	36.8	Very low	172 Å²	172	138.5 Å²	138.5	80%	0.804	78%	0.78	S	S	*	*			cis	97	151.7	26.7	-65.9	-170.1	158.4	0	0	115.3
906	V	39.8	Very low	36.7	Very low	132 Å²	132	139.9 Å²	139.9	80%	0.8	77%	0.773	S	S	*	*			trans	75.8	125.9	-178.9	-178.1	0	0	0	0	115.1
907	E	35.6	Very low	36.6	Very low	180 Å²	180	138.3 Å²	138.3	84%	0.841	77%	0.765	S	S	*	*			cis	-157.9	-150.1	-16.7	-135.7	174.3	118.3	0	0	112.1
908	C	30.8	Very low	36.4	Very low	112 Å²	112	139 Å²	139	76%	0.757	77%	0.765	S	S	*	*			trans	-153.4	-177.2	-169.5	-157.1	0	0	0	0	115.3
909	S	36.7	Very low	36	Very low	102 Å²	102	138.7 Å²	138.7	71%	0.713	77%	0.768	S	S	*	*			trans	87.9	112.4	171.9	-33.7	0	0	0	0	115.9
910	T	35.1	Very low	35.9	Very low	116 Å²	116	134.5 Å²	134.5	71%	0.712	76%	0.76	S	S	*	*				87.7	119.3	51.4	64	0	0	0	0	115.3
911	D	36.1	Very low	35.8	Very low	152 Å²	152	137 Å²	137	81%	0.813	76%	0.759	S	S	*	*				168.3	120.7	118.9	-80.9	-13.2	0	0	0	116.3
912	D	38.2	Very low	35.8	Very low	146 Å²	146	131.8 Å²	131.8	78%	0.781	75%	0.748	S	S	*	*			trans	52.9	128.8	137.4	-110.5	-17.6	0	0	0	127.6
913	M	38.4	Very low	35.5	Very low	129 Å²	129	131.9 Å²	131.9	64%	0.635	75%	0.748	S	S	*	*				101.1	104.5	121.9	-165.1	156.7	49.8	0	0	124.2
914	K	38.3	Very low	35.6	Very low	162 Å²	162	130 Å²	130	70%	0.704	75%	0.751	S	S	*	*			trans	80.4	128.5	137.2	-81.6	171.1	-164.1	152.2	0	125.2
915	Q	37.7	Very low	35.5	Very low	150 Å²	150	130.3 Å²	130.3	70%	0.701	75%	0.749	S	S	*	*				98.7	117.7	126.4	-79.9	178.9	-53.8	0	0	124.2
916	H	38	Very low	35.2	Very low	142 Å²	142	130.1 Å²	130.1	66%	0.657	75%	0.748	S	S	*	*			trans	72.1	112.7	134.6	-71.6	-51.1	0	0	0	124.4
917	N	35.2	Very low	34.8	Very low	121 Å²	121	130.3 Å²	130.3	65%	0.647	75%	0.749	S	S	*	*				80.3	121	119.9	-64.9	12.3	0	0	0	122.4
918	N	33	Very low	34.7	Very low	144 Å²	144	129.6 Å²	129.6	77%	0.77	75%	0.746	S	S	*	*			trans	81.6	103.3	131.8	-62.1	3.1	0	0	0	121.8
919	A	32.9	Very low	34.6	Very low	93 Å²	93	131.6 Å²	131.6	77%	0.769	74%	0.744	S	S	*	*				89.4	142.9	118.1	0	0	0	0	0	122.1
920	S	32.7	Very low	34.2	Very low	111 Å²	111	132 Å²	132	78%	0.776	75%	0.746	S	S	*	*			trans	91.2	115.3	145.1	-66.5	0	0	0	0	122.2
921	V	33.7	Very low	33.9	Very low	135 Å²	135	130.3 Å²	130.3	82%	0.818	74%	0.735	S	S	*	*				90.2	101.4	125.9	174.7	0	0	0	0	120.3
922	A	34.3	Very low	33.7	Very low	75 Å²	75	129.9 Å²	129.9	62%	0.62	74%	0.738	S	S	*	*				80.1	125.7	127	0	0	0	0	0	124.1
923	N	31.9	Very low	33.2	Very low	168 Å²	168	131.2 Å²	131.2	90%	0.898	74%	0.74	S	S	*	*			trans	68.9	123.6	135.3	-58.4	-1.9	0	0	0	121.1
924	G	34.2	Very low	32.7	Very low	74 Å²	74	130 Å²	130	76%	0.763	75%	0.75	S	S	*	*			trans	172.9	99.3	165.7	0	0	0	0	0	114.5
925	T	34.9	Very low	32.3	Very low	121 Å²	121	128.5 Å²	128.5	74%	0.742	75%	0.749	S	S	*	*			trans	-35.4	156.3	158.1	48.6	0	0	0	0	115.3
926	E	31.5	Very low	31.8	Very low	168 Å²	168	130.8 Å²	130.8	79%	0.785	76%	0.757	S	S	*	*			cis	-171.5	151.2	-0.1	-110.7	164.3	-170.3	0	0	107.9
927	T	32.4	Very low	31.5	Very low	136 Å²	136	131.9 Å²	131.9	83%	0.834	77%	0.766	S	S	*	*			trans	159.3	121.6	135	45.6	0	0	0	0	113.6
928	Q	32.9	Very low	31.1	Very low	164 Å²	164	134.6 Å²	134.6	77%	0.766	78%	0.775	S	S	*	*			trans	0.1	128.9	157	-74.5	166.7	-57.9	0	0	122.7
929	E	29.1	Very low	30.9	Very low	155 Å²	155	133.8 Å²	133.8	72%	0.724	78%	0.78	S	S	*	*				123.8	149.6	109.8	-100.2	-169.5	170.6	0	0	122.2
930	C	28.9	Very low	30.6	Very low	111 Å²	111	137.4 Å²	137.4	75%	0.75	78%	0.781	S	S	*	*			trans	73.3	140.3	174.7	-139.5	0	0	0	0	118.4
931	T	26.9	Very low	30.3	Very low	79 Å²	79	138.4 Å²	138.4	49%	0.485	79%	0.787	S	S	.	*			trans	-115.7	135.9	-157.8	52.1	0	0	0	0	114.1	Y17	Y17-T931 WeakPolarHBondContact CE2-OG1 3.39Å; Y17-T931 WeakPolarHBondContact OH-CG2 3.35Å; Y17-T931 PolarHBondContact OH-OG1 2.96Å; Y17-T931 VanDerWaalsContact OH-OG1 3.09Å
932	T	32.3	Very low	30.1	Very low	143 Å²	143	136.8 Å²	136.8	88%	0.877	78%	0.777	S	S	*	*			trans	-164.7	93	149.5	4.7	0	0	0	0	109.7	A934	T932-A934 PolarHBondContact O-N 3.14Å
933	E	27.5	Very low	29.9	Very low	175 Å²	175	139.1 Å²	139.1	82%	0.818	79%	0.786	S	S	*	*			trans	-74.1	91.3	-177	-70	-173.6	114.3	0	0	112.6	L935	E933-L935 VanDerWaalsContact C-N 3.26Å; E933-L935 HydrophobicContact CG-CD1 4.49Å; E933-L935 PolarHBondContact O-N 3.33Å
934	A	29.3	Very low	29.8	Very low	102 Å²	102	135.3 Å²	135.3	84%	0.843	78%	0.778	S	S	*	*			trans	-91	52.9	163.6	0	0	0	0	0	110.9	T932	T932-A934 PolarHBondContact O-N 3.14Å
935	L	28.9	Very low	29.7	Very low	132 Å²	132	141.2 Å²	141.2	69%	0.691	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-87.4	125.3	-176	-74.7	175.2	0	0	0	112.6	E933	E933-L935 VanDerWaalsContact C-N 3.26Å; E933-L935 HydrophobicContact CG-CD1 4.49Å; E933-L935 PolarHBondContact O-N 3.33Å
936	K	26.7	Very low	29.8	Very low	197 Å²	197	140.1 Å²	140.1	86%	0.857	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-65.2	129.1	163.6	-60.7	164.6	-178.7	170.3	0	107.9
937	I	31.7	Very low	29.7	Very low	166 Å²	166	137.7 Å²	137.7	85%	0.851	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-103.1	126.4	164.5	-63.3	178.8	0	0	0	107
938	E	28.2	Very low	29.9	Very low	178 Å²	178	137.6 Å²	137.6	83%	0.832	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-80.1	162	-176.1	-61.1	-172.3	132.1	0	0	111.7	E940	E938-E940 PolarHBondContact O-N 3.36Å; E938-E940 VanDerWaalsContact O-N 3.09Å
939	S	27.2	Very low	29.7	Very low	126 Å²	126	136.5 Å²	136.5	88%	0.881	74%	0.744	S	S	*	*			trans	-79	92.3	-172.4	57.4	0	0	0	0	112.4
940	E	27.1	Very low	29.8	Very low	170 Å²	170	134.9 Å²	134.9	79%	0.794	75%	0.745	S	S	*	*			trans	-123.4	111.4	168.8	-158.6	168.4	-132.6	0	0	112.1	E938 T942	E938-E940 PolarHBondContact O-N 3.36Å; E938-E940 VanDerWaalsContact O-N 3.09Å; E940-T942 VanDerWaalsContact C-N 3.34Å; E940-T942 HydrophobicContact CG-CG2 4.22Å; E940-T942 PolarHBondContact O-N 3.38Å; E940-T942 VanDerWaalsContact O-N 3.08Å
941	C	26.5	Very low	29.8	Very low	132 Å²	132	134.1 Å²	134.1	89%	0.892	74%	0.737	S	S	*	*			trans	-88	65.5	-173.2	-173.9	0	0	0	0	111.8
942	T	28.7	Very low	29.8	Very low	101 Å²	101	133.9 Å²	133.9	62%	0.62	74%	0.743	S	S	*	*			trans	-73.9	129.6	175.5	60.4	0	0	0	0	111.3	E940 A944	E940-T942 VanDerWaalsContact C-N 3.34Å; E940-T942 HydrophobicContact CG-CG2 4.22Å; E940-T942 PolarHBondContact O-N 3.38Å; E940-T942 VanDerWaalsContact O-N 3.08Å; T942-A944 PolarHBondContact O-N 3.1Å; T942-A944 VanDerWaalsContact O-N 3.15Å
943	P	30.8	Very low	29.6	Very low	124 Å²	124	133.3 Å²	133.3	81%	0.805	74%	0.735	S	S	*	*			trans	-68.3	113.2	172.2	28	-32.7	0	0	0	109.7	K945	P943-K945 PolarHBondContact O-N 2.97Å
944	A	30.4	Very low	29.6	Very low	87 Å²	87	129.7 Å²	129.7	72%	0.719	73%	0.728	S	S	*	*			trans	-56.2	135.2	176.4	0	0	0	0	0	110.5	T942 R946	T942-A944 PolarHBondContact O-N 3.1Å; T942-A944 VanDerWaalsContact O-N 3.15Å; A944-R946 VanDerWaalsContact C-N 3.34Å; A944-R946 PolarHBondContact O-N 3.01Å
945	K	31.7	Very low	29.6	Very low	199 Å²	199	134.4 Å²	134.4	87%	0.865	73%	0.73	S	S	*	*			trans	-65.6	90.7	178.4	-72.1	-179.9	178.6	174.8	0	110	P943 T947	P943-K945 PolarHBondContact O-N 2.97Å; K945-T947 PolarHBondContact O-N 3.42Å
946	R	36.6	Very low	29.5	Very low	97 Å²	97	132.5 Å²	132.5	37%	0.366	73%	0.728	S	S	.	*			trans	-67.6	62.9	165.6	-89.1	-174	151.5	120.6	9.1	110.3	D745 A944 R948	D745-R946 IonicContact OD1-CZ 3.26Å; D745-R946 IonicContact OD1-NH1 2.74Å; D745-R946 PolarHBondContact OD1-NH1 2.86Å; D745-R946 IonicContact OD1-NH2 2.84Å; D745-R946 PolarHBondContact OD1-NH2 3.33Å; A944-R946 VanDerWaalsContact C-N 3.34Å; A944-R946 PolarHBondContact O-N 3.01Å; R946-R948 PolarHBondContact O-N 2.84Å
947	T	30.9	Very low	29.5	Very low	117 Å²	117	128.7 Å²	128.7	72%	0.718	73%	0.726	S	S	*	*			trans	-65.4	101.3	164.3	-50.5	0	0	0	0	106.3	K945 L949	K945-T947 PolarHBondContact O-N 3.42Å; T947-L949 VanDerWaalsContact C-N 3.29Å; T947-L949 PolarHBondContact O-N 2.97Å
948	R	36.3	Very low	29.3	Very low	134 Å²	134	132.3 Å²	132.3	51%	0.506	74%	0.744	S	S	.	*			trans	-60.5	94.6	176.4	-174.3	176.8	-178.1	-168	-4.1	107.8	S586 E588 R946 V950	S586-R948 PolarHBondContact OG-NH1 2.86Å; E588-R948 IonicContact OE1-CZ 3.53Å; E588-R948 VanDerWaalsContact OE1-CZ 3.27Å; E588-R948 IonicContact OE1-NH1 3.39Å; E588-R948 PolarHBondContact OE1-NH1 3.36Å; E588-R948 IonicContact OE1-NH2 2.77Å; E588-R948 PolarHBondContact OE1-NH2 3.34Å; R946-R948 PolarHBondContact O-N 2.84Å; R948-V950 PolarHBondContact O-N 2.86Å
949	L	28.6	Very low	29.4	Very low	141 Å²	141	130 Å²	130	74%	0.738	74%	0.74	S	S	*	*			trans	-63.8	107.3	173.8	-150.8	151	0	0	0	105	T947 T951	T947-L949 VanDerWaalsContact C-N 3.29Å; T947-L949 PolarHBondContact O-N 2.97Å; L949-T951 HydrophobicContact CD2-CG2 4.18Å; L949-T951 PolarHBondContact O-N 3.05Å
950	V	29.8	Very low	29.5	Very low	122 Å²	122	130.2 Å²	130.2	74%	0.739	73%	0.733	S	S	*	*			trans	-73.3	84	-176.6	-178.7	0	0	0	0	106.9	R948 A952	R948-V950 PolarHBondContact O-N 2.86Å; V950-A952 PolarHBondContact O-N 2.9Å
951	T	29.6	Very low	29.6	Very low	95 Å²	95	128 Å²	128	58%	0.583	73%	0.729	S	S	*	*			trans	-64.9	87.2	171.1	37.3	0	0	0	0	108.1	L949 N953	L949-T951 HydrophobicContact CD2-CG2 4.18Å; L949-T951 PolarHBondContact O-N 3.05Å; T951-N953 PolarHBondContact O-N 2.98Å
952	A	26.9	Very low	29.8	Very low	74 Å²	74	127.8 Å²	127.8	61%	0.612	72%	0.72	S	S	*	*			trans	-63.4	87	164.2	0	0	0	0	0	107.8	V950 S954	V950-A952 PolarHBondContact O-N 2.9Å; A952-S954 PolarHBondContact O-N 3.36Å; A952-S954 PolarHBondContact O-OG 3.09Å
953	N	29.1	Very low	29.9	Very low	131 Å²	131	129.4 Å²	129.4	70%	0.701	73%	0.726	S	S	*	*			trans	-72	63.3	168.9	-79.3	6.4	0	0	0	109.5	T951 K955	T951-N953 PolarHBondContact O-N 2.98Å; N953-K955 VanDerWaalsContact C-N 3.27Å; N953-K955 PolarHBondContact O-N 3.25Å
954	S	27.5	Very low	29.8	Very low	98 Å²	98	129.8 Å²	129.8	69%	0.685	72%	0.72	S	S	*	*			trans	-91.6	60.7	164.7	56.2	0	0	0	0	108.8	A952	A952-S954 PolarHBondContact O-N 3.36Å; A952-S954 PolarHBondContact O-OG 3.09Å
955	K	27.4	Very low	29.8	Very low	202 Å²	202	132.9 Å²	132.9	88%	0.878	72%	0.721	S	S	*	*			trans	-135.1	58.7	175	-76	-168.9	176	-179.8	0	110.6	N953	N953-K955 VanDerWaalsContact C-N 3.27Å; N953-K955 PolarHBondContact O-N 3.25Å
956	S	27.3	Very low	29.6	Very low	92 Å²	92	127.8 Å²	127.8	64%	0.643	71%	0.709	S	S	*	*			trans	-148.8	74.9	170.6	61.4	0	0	0	0	107.8
957	S	27.3	Very low	29.1	Very low	117 Å²	117	130.3 Å²	130.3	82%	0.818	74%	0.738	S	S	*	*			trans	-155.3	34.6	-173.2	-175.5	0	0	0	0	112.6
958	I	28	Very low	28.9	Very low	241 Å²	241	131.5 Å²	131.5	100%	1.236	74%	0.74	S	S	*	*			trans	-134.5	0	147	-59.7	-175.7	0	0	0	104.7

Retrieved 958 of 958 residues in 1629.9 ms (Link to these results)

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