A0A087YKL7_POEFO Loading...

Unc-13 homolog D

AlphaFold DB , UniProt , Accession A0A087YKL7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,116 aa.

						>A0A087YKL7_POEFO|A0A087YKL7
MAGQTEQNTRKGENLLQTPEQEHGTPRHRQFSPVHSRKLGFTRRQRDRRDLKEDENPEAKARRHKEMELKPLYKELLYTIAHKMGKPASAEVFTDSQLHQYLKEAFTMTDEEHNGLMEKVQNTEPPIYCLMVTVKEAKEILGKDVSGFSDPYCLLMVLEEEEEKKSSRAKAKPSKYVVKGTVSHEKIYQTDIKKQTLNPIWNQTFILEFEDLTSTTFHLEMWDKDEEVSLTQKLEEIKTNLNSLRRMIKEAKKEKGTDDFLGNIVLRLKDLHCTEDNWYKLEPRTETYPNRGQCHLFLQFIHKARDGTLSAGRNAYTNYCGILQQFVQAYISKQQSSAPWKGALCGEAQTLLELYATQNDLSPFLQDLAKWVAYSKLYQSLEVDSSVLFHQLTSIEYHWHQQELPYQQKQELGDSLHGFLQYGLCLVSKYRDIFPPTPSATPKLHTLLRILVQICKTQAFQKLNPANFELHNEVHDAIVTGTEEWFTIKKGLHQPMTKDLTEIGSALSRLIAEVQEDIKHNKDVWNRVFVSAVQVDVFTVVYQKFDSLLAKEVKATLSIMEDQMELNLSKSLFPVYLSLQAIHKDKAFLQKRGLLQLTNFHEDFRDALPYWLNQAFSTTQDRVVRAVQVDQLQPLQVGAVPIKHSSSAVDLVACIQPICHLWEQLSWPDPEEAFMLMVKLTEDVCKIVVNYCHLLKERVRVLSENSDHSIAINMLCVVVNDLEHLRSVLTRLPSQLNWEGLRIRTQSVIGQSQFENTLHSQLQQAKSILCKEIRSALDTLGKQLNTDIETHVRSMSTRRRIPSKSTEDAAAPLMRYLEQELQYMNENLVQENFNSLLTPLWQNSVKILYQISTQHSQQEGLMVFCQRLLYTLQCLEQCFHADGNGLPQKALHSDEYKNLKAHLTHHSLTSHQLIEKFFKRKISEQRDYQGEKYGAVTLLASYRRSDQRLHIEVLNAVSLLPMDSNGLSDPFVRLCLEPNHVFPEIEPRCTQYKSCDLNPLFDEAFDFLVSLDQCQTPGACLVITVLDHDTLRPDDFEGEAFLALEDVPGVSEQEGEEVDSQMDSAPEQIRLPLMHPKPNEDSILKLLESRRGEREAQAFVKKRRQREKQSQEAAQQ
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.8	Very low	30.4	Very low	241 Å²	241	150.5 Å²	150.5	100%	1.187	79%	0.792	S	S	*	*				0	86	0	-69.6	-179.1	175.3	0	0	106.1
2	A	30.1	Very low	30.1	Very low	109 Å²	109	143.9 Å²	143.9	90%	0.901	79%	0.788	S	S	*	*				59.2	107.8	100.4	0	0	0	0	0	111.1
3	G	29.9	Very low	30.1	Very low	66 Å²	66	144.3 Å²	144.3	68%	0.68	78%	0.781	S	S	*	*			cis	-179.9	158.1	0.1	0	0	0	0	0	110.8
4	Q	29.9	Very low	30	Very low	188 Å²	188	145.4 Å²	145.4	88%	0.879	79%	0.785	S	S	*	*			trans	68.4	132.2	143.1	-61.7	-179.6	-18.5	0	0	119.4
5	T	31	Very low	30.1	Very low	103 Å²	103	145.9 Å²	145.9	63%	0.632	79%	0.787	S	S	*	*			cis	-173.5	124.7	0.6	15.1	0	0	0	0	105.8
6	E	30.4	Very low	30.1	Very low	157 Å²	157	146.1 Å²	146.1	73%	0.734	79%	0.786	S	S	*	*				80.5	143.9	107	-68.3	-170.2	147.4	0	0	115.4
7	Q	29.8	Very low	30	Very low	154 Å²	154	148.1 Å²	148.1	72%	0.72	79%	0.789	S	S	*	*			cis	-167.7	128.4	-3.6	-103.8	169.3	16.5	0	0	104.7
8	N	29.8	Very low	29.8	Very low	144 Å²	144	147.2 Å²	147.2	77%	0.77	79%	0.791	S	S	*	*				61	108.1	89.3	-106.4	6	0	0	0	119.1
9	T	29.1	Very low	30.4	Very low	105 Å²	105	145.3 Å²	145.3	64%	0.644	79%	0.787	S	S	*	*				65.2	121	124.2	51.3	0	0	0	0	124.1
10	R	28.1	Very low	30.2	Very low	218 Å²	218	148.1 Å²	148.1	82%	0.823	79%	0.794	S	S	*	*				75.2	128.7	120.6	-77.6	-176.5	171.9	-180	-0.7	122.7
11	K	29.3	Very low	30.1	Very low	170 Å²	170	150 Å²	150	74%	0.739	80%	0.799	S	S	*	*				90.5	138	126.7	-84.4	-168.8	170.8	-149.6	0	121.4	E13	K11-E13 IonicContact NZ-OE1 3.57Å
12	G	26.8	Very low	29.6	Very low	72 Å²	72	147.9 Å²	147.9	74%	0.742	79%	0.786	S	S	*	*			trans	155.9	79.4	165.4	0	0	0	0	0	108.4
13	E	30.5	Very low	29.6	Very low	149 Å²	149	152.4 Å²	152.4	70%	0.696	79%	0.788	S	S	*	*				42.9	105.3	87.1	-79.6	176.6	-153.8	0	0	114.3	K11	K11-E13 IonicContact NZ-OE1 3.57Å
14	N	29.1	Very low	29.4	Very low	159 Å²	159	152.8 Å²	152.8	85%	0.85	79%	0.791	S	S	*	*				-172.4	139.1	114.9	-92.9	-30.9	0	0	0	113.8
15	L	30.5	Very low	29.4	Very low	154 Å²	154	150.6 Å²	150.6	81%	0.806	79%	0.791	S	S	*	*			trans	-68.4	155.4	176.6	-68.6	124	0	0	0	112.5
16	L	30.3	Very low	29.4	Very low	148 Å²	148	151.7 Å²	151.7	78%	0.775	80%	0.8	S	S	*	*				177.1	124.1	118.8	-89.6	155	0	0	0	112.6
17	Q	28.2	Very low	29.2	Very low	180 Å²	180	155.7 Å²	155.7	84%	0.841	81%	0.809	S	S	*	*			trans	70.9	113.2	142	-71.7	171.4	-10.2	0	0	122.7
18	T	26.2	Very low	29	Very low	132 Å²	132	157.5 Å²	157.5	81%	0.81	82%	0.817	S	S	*	*			trans	-78.3	-177.9	150.3	52.9	0	0	0	0	111.3
19	P	41.3	Very low	28.8	Very low	111 Å²	111	161.7 Å²	161.7	72%	0.721	82%	0.822	S	S	*	*			cis	-132.1	166.7	-9.6	35	-16.9	0	0	0	113.9
20	E	27	Very low	28.7	Very low	201 Å²	201	165.5 Å²	165.5	94%	0.939	83%	0.832	S	S	*	*			trans	-157.3	135.7	138.5	-114.7	170.3	-161.5	0	0	110.5
21	Q	28.3	Very low	28.5	Very low	189 Å²	189	164.6 Å²	164.6	88%	0.883	84%	0.835	S	S	*	*			trans	-76.6	138.1	-173.8	-69	167.9	-44.9	0	0	110.7
22	E	26.3	Very low	28.4	Very low	197 Å²	197	161.8 Å²	161.8	92%	0.921	84%	0.836	S	S	*	*			trans	-158.5	142.5	139.8	-112.9	175.4	-161.1	0	0	111.3
23	H	30.7	Very low	28.4	Very low	204 Å²	204	163.9 Å²	163.9	94%	0.944	84%	0.837	S	S	*	*			trans	-60.6	125.7	-165.8	-75.7	-63.9	0	0	0	115
24	G	26.1	Very low	28.1	Very low	73 Å²	73	163.2 Å²	163.2	75%	0.753	84%	0.842	S	S	*	*			trans	-122.3	109.2	168.7	0	0	0	0	0	112.2
25	T	29.8	Very low	28	Very low	142 Å²	142	164.6 Å²	164.6	87%	0.871	84%	0.843	S	S	*	*			trans	-78.4	132.5	155.3	38.4	0	0	0	0	108.6
26	P	30.1	Very low	27.8	Very low	127 Å²	127	162.6 Å²	162.6	83%	0.825	84%	0.843	S	S	*	*			trans	-103.1	115.6	167.3	30.1	-18.8	0	0	0	110.8
27	R	26.3	Very low	27.6	Very low	241 Å²	241	166.9 Å²	166.9	91%	0.909	85%	0.848	S	S	*	*			trans	-56.9	140.9	161.4	-77.6	174.2	166	169.6	-4.5	110.7	R29	R27-R29 PolarHBondContact O-N 3.1Å
28	H	26.3	Very low	27.6	Very low	192 Å²	192	168.3 Å²	168.3	89%	0.889	85%	0.852	S	S	*	*			trans	-39.9	127.2	163.7	-82	-62.7	0	0	0	113
29	R	24.9	Very low	27.6	Very low	232 Å²	232	170 Å²	170	88%	0.875	86%	0.855	S	S	*	*			trans	-117.6	106.2	154.6	-84.4	-175.1	173.9	176	-0.9	108.4	R27 F31	R27-R29 PolarHBondContact O-N 3.1Å; R29-F31 PolarHBondContact O-N 3.27Å
30	Q	26.2	Very low	26.8	Very low	185 Å²	185	167.9 Å²	167.9	86%	0.864	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-62.6	124.5	163.1	-77.4	171.6	-30.3	0	0	108.7
31	F	25	Very low	26.9	Very low	199 Å²	199	168.7 Å²	168.7	87%	0.873	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-90.3	116	164.7	-100.9	-91.6	0	0	0	108.4	R29	R29-F31 PolarHBondContact O-N 3.27Å
32	S	26.9	Very low	26.8	Very low	111 Å²	111	166 Å²	166	78%	0.776	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-73.2	140.9	171.5	-37.5	0	0	0	0	110.8
33	P	26.3	Very low	26.9	Very low	116 Å²	116	167.2 Å²	167.2	75%	0.753	85%	0.847	S	S	*	*			trans	-112.9	118.3	159.3	24.8	-8	0	0	0	112.6
34	V	25.3	Very low	26.6	Very low	134 Å²	134	168.1 Å²	168.1	81%	0.812	84%	0.842	S	S	*	*			trans	59.2	112.2	130.7	-168.5	0	0	0	0	119.8
35	H	26.7	Very low	26.7	Very low	188 Å²	188	174.4 Å²	174.4	87%	0.87	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-47.3	123.9	167.1	-79.4	-67.4	0	0	0	115.8
36	S	26.6	Very low	26.7	Very low	113 Å²	113	178.6 Å²	178.6	79%	0.79	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-98.3	126.1	152.2	-10.1	0	0	0	0	108.7	K38	S36-K38 PolarHBondContact O-N 3.02Å
37	R	24.5	Very low	26.6	Very low	237 Å²	237	178.6 Å²	178.6	89%	0.894	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-63.5	117.5	-173.9	-72.5	172.5	171.4	172.4	-3.6	111.7	L39	R37-L39 PolarHBondContact O-N 3.28Å
38	K	28.6	Very low	26.7	Very low	210 Å²	210	179 Å²	179	91%	0.913	85%	0.846	S	S	*	*			trans	-74.8	114.6	159	-81.9	-178.6	175.3	179.3	0	108.7	S36	S36-K38 PolarHBondContact O-N 3.02Å
39	L	26.8	Very low	27.1	Very low	169 Å²	169	179.6 Å²	179.6	89%	0.885	84%	0.841	S	S	*	*			trans	-82.4	115.1	172	-99.5	139.8	0	0	0	110.1	R37	R37-L39 PolarHBondContact O-N 3.28Å
40	G	24.1	Very low	27.7	Very low	65 Å²	65	175.2 Å²	175.2	67%	0.67	84%	0.835	S	S	*	*			trans	7.9	102.8	162.3	0	0	0	0	0	120.4	T42	G40-T42 PolarHBondContact O-N 3.45Å
41	F	28.4	Very low	28	Very low	218 Å²	218	174 Å²	174	96%	0.956	83%	0.833	S	S	*	*			trans	-77.5	105.4	145	-90.9	-92.1	0	0	0	108.6
42	T	28.1	Very low	28.7	Very low	134 Å²	134	173 Å²	173	82%	0.822	83%	0.829	S	S	*	*			trans	-121.4	107	163.1	47.4	0	0	0	0	108.5	G40	G40-T42 PolarHBondContact O-N 3.45Å
43	R	27.3	Very low	29.4	Very low	222 Å²	222	177.2 Å²	177.2	84%	0.838	84%	0.836	S	S	*	*	S	Bend		168	116	118.9	-133.2	164.5	-178.3	-177	0.3	111.6
44	R	25.1	Very low	30.5	Very low	222 Å²	222	179.7 Å²	179.7	84%	0.838	84%	0.843	S	S	*	*			trans	57.9	89.6	149.3	-68.2	-179.4	176.8	-177.8	-1.9	118.6	R46	R44-R46 PolarHBondContact O-N 3.14Å
45	Q	28.1	Very low	31.8	Very low	205 Å²	205	177.5 Å²	177.5	96%	0.958	82%	0.824	S	S	*	*			trans	-57.7	114.1	141.1	-95.4	177.9	-18.9	0	0	109.4
46	R	28.9	Very low	34	Very low	230 Å²	230	172.8 Å²	172.8	87%	0.868	81%	0.805	S	S	*	*			trans	-141.2	126.1	150	-120.9	-179.2	-173.7	-179.2	0.2	108.7	R44	R44-R46 PolarHBondContact O-N 3.14Å
47	D	27.8	Very low	36.2	Very low	128 Å²	128	172.3 Å²	172.3	68%	0.684	80%	0.799	S	S	*	*			trans	67.6	69.5	170	-58.5	-42.2	0	0	0	118.1
48	R	30	Very low	38.5	Very low	249 Å²	249	166.7 Å²	166.7	94%	0.94	78%	0.783	S	S	*	*			trans	-95.8	90.6	146.7	-133.2	-178.2	-174.9	-177.2	0.9	107.4
49	R	33.7	Very low	40.7	Very low	204 Å²	204	158.8 Å²	158.8	77%	0.77	76%	0.757	S	S	*	*			trans	-110	126.9	161.2	-102.4	-173.2	-95.3	-164.2	-3.3	108.4
50	D	36.9	Very low	43.2	Very low	141 Å²	141	157.4 Å²	157.4	75%	0.754	74%	0.744	S	S	*	*			trans	78.6	92.9	159.9	-49.7	-26.3	0	0	0	119.1
51	L	34.1	Very low	45.7	Very low	159 Å²	159	157.1 Å²	157.1	83%	0.832	74%	0.735	S	S	*	*			trans	-132	106.9	144.5	-78.8	169.7	0	0	0	108.9
52	K	38.4	Very low	48.1	Very low	179 Å²	179	155.1 Å²	155.1	78%	0.778	72%	0.721	S	S	*	*			trans	-75.8	123.2	161.2	-74.3	176.7	173.2	178.6	0	107.2	D54	K52-D54 PolarHBondContact O-N 2.97Å
53	E	42.5	Very low	50.7	Low	199 Å²	199	154.6 Å²	154.6	93%	0.93	70%	0.704	S	S	*	*	S	Bend	trans	-81.5	10.4	179.4	-75.7	-176.3	153.5	0	0	114.3
54	D	47.9	Very low	53.4	Low	168 Å²	168	148.2 Å²	148.2	90%	0.898	68%	0.684	S	S	*	*			trans	-120.8	34.4	-178.2	-98.5	-27	0	0	0	113.3	K52	K52-D54 PolarHBondContact O-N 2.97Å
55	E	53.8	Low	56.2	Low	87 Å²	87	139.8 Å²	139.8	41%	0.407	65%	0.653	S	S	.	*			trans	-82	125.4	172	-95.7	-174.8	176.7	0	0	111.3	R63	E55-R63 IonicContact OE1-NH1 3.72Å; E55-R63 PolarHBondContact OE1-NH1 3.17Å; E55-R63 IonicContact OE2-NH1 2.85Å
56	N	72.6	Confident	58.9	Low	89 Å²	89	135 Å²	135	48%	0.476	63%	0.631	S	S	.	*			trans	-48.9	130.4	171.1	174.3	-3.8	0	0	0	110.5	E58 A59 K60	N56-E58 PolarHBondContact O-N 3.39Å; N56-E58 VanDerWaalsContact O-N 3.12Å; N56-E58 PolarHBondContact OD1-N 3.2Å; N56-A59 HydrophobicContact CB-CB 4.15Å; N56-A59 WeakPolarHBondContact O-CA 3.28Å; N56-A59 WeakPolarHBondContact O-CB 3.44Å; N56-A59 PolarHBondContact O-N 3.07Å; N56-K60 PolarHBondContact O-N 3.05Å
57	P	73.3	Confident	61.4	Low	103 Å²	103	128.9 Å²	128.9	67%	0.669	61%	0.613	S	S	*	*	H	α-helix	trans	-53.4	-33.2	179.5	15.9	-28.8	0	0	0	113.9	K60 A61	P57-K60 PolarHBondContact O-N 3.28Å; P57-A61 WeakPolarHBondContact O-CB 3.32Å; P57-A61 PolarHBondContact O-N 2.81Å
58	E	73.2	Confident	64.1	Low	120 Å²	120	126.3 Å²	126.3	56%	0.561	60%	0.597	S	S	*	*	H	α-helix	trans	-67.9	-38.9	174	-68.3	-173.6	175.8	0	0	112.6	N56 A61 R62	N56-E58 PolarHBondContact O-N 3.39Å; N56-E58 VanDerWaalsContact O-N 3.12Å; N56-E58 PolarHBondContact OD1-N 3.2Å; E58-A61 PolarHBondContact O-N 3.43Å; E58-R62 WeakPolarHBondContact O-CB 3.29Å; E58-R62 VanDerWaalsContact O-CG 3.29Å; E58-R62 WeakPolarHBondContact O-CG 3.48Å; E58-R62 PolarHBondContact O-N 3.21Å
59	A	73.8	Confident	66.8	Low	44 Å²	44	115.1 Å²	115.1	36%	0.364	56%	0.556	S	S	.	*	H	α-helix	trans	-67.6	-39.9	177.2	0	0	0	0	0	110.9	N56 R62 R63	N56-A59 HydrophobicContact CB-CB 4.15Å; N56-A59 WeakPolarHBondContact O-CA 3.28Å; N56-A59 WeakPolarHBondContact O-CB 3.44Å; N56-A59 PolarHBondContact O-N 3.07Å; A59-R62 PolarHBondContact O-N 3.1Å; A59-R63 WeakPolarHBondContact O-CB 3.29Å; A59-R63 PolarHBondContact O-N 2.82Å
60	K	78.6	Confident	69.5	Low	139 Å²	139	106.8 Å²	106.8	60%	0.604	53%	0.525	S	S	*	.	H	α-helix	trans	-63.2	-43.1	173.8	-172.2	178.2	-179.5	179.1	0	112	N56 P57 R63 H64	N56-K60 PolarHBondContact O-N 3.05Å; P57-K60 PolarHBondContact O-N 3.28Å; K60-R63 PolarHBondContact O-N 3.45Å; K60-H64 WeakPolarHBondContact O-CB 3.43Å; K60-H64 PolarHBondContact O-N 3.19Å
61	A	77.9	Confident	72	Confident	59 Å²	59	100.5 Å²	100.5	49%	0.488	49%	0.492	S	S	.	.	H	α-helix	trans	-64.9	-43.7	176.8	0	0	0	0	0	112.2	P57 E58 H64 K65	P57-A61 WeakPolarHBondContact O-CB 3.32Å; P57-A61 PolarHBondContact O-N 2.81Å; E58-A61 PolarHBondContact O-N 3.43Å; A61-H64 PolarHBondContact O-N 3.03Å; A61-K65 WeakPolarHBondContact O-CB 3.33Å; A61-K65 PolarHBondContact O-N 2.88Å
62	R	79.3	Confident	74.7	Confident	176 Å²	176	93.1 Å²	93.1	66%	0.664	45%	0.453	S	S	*	.	H	α-helix	trans	-61.4	-45.1	174.3	-73	176.6	-170.6	-171.7	6	111.6	E58 A59 H64 K65 E66	E58-R62 WeakPolarHBondContact O-CB 3.29Å; E58-R62 VanDerWaalsContact O-CG 3.29Å; E58-R62 WeakPolarHBondContact O-CG 3.48Å; E58-R62 PolarHBondContact O-N 3.21Å; A59-R62 PolarHBondContact O-N 3.1Å; R62-H64 PolarHBondContact O-N 3.18Å; R62-K65 PolarHBondContact O-N 2.79Å; R62-E66 WeakPolarHBondContact O-CG 3.4Å; R62-E66 PolarHBondContact O-N 3.01Å
63	R	82.4	Confident	77.3	Confident	123 Å²	123	84.6 Å²	84.6	46%	0.464	42%	0.416	S	S	.	.	H	α-helix	trans	-61	-43.5	177.8	-172.2	178.9	174.3	176.5	0.4	112.1	E55 A59 K60 E66 M67	E55-R63 IonicContact OE1-NH1 3.72Å; E55-R63 PolarHBondContact OE1-NH1 3.17Å; E55-R63 IonicContact OE2-NH1 2.85Å; A59-R63 WeakPolarHBondContact O-CB 3.29Å; A59-R63 PolarHBondContact O-N 2.82Å; K60-R63 PolarHBondContact O-N 3.45Å; R63-E66 PolarHBondContact O-N 3.25Å; R63-M67 HydrophobicContact CG-CE 3.4Å; R63-M67 WeakPolarHBondContact O-CB 3.34Å; R63-M67 PolarHBondContact O-N 2.97Å
64	H	83	Confident	79.5	Confident	88 Å²	88	76.9 Å²	76.9	41%	0.407	38%	0.379	S	S	.	.	H	α-helix	trans	-64.1	-43.4	174	-179.4	-92.8	0	0	0	111.7	K60 A61 R62 E66 E68 L69	K60-H64 WeakPolarHBondContact O-CB 3.43Å; K60-H64 PolarHBondContact O-N 3.19Å; A61-H64 PolarHBondContact O-N 3.03Å; R62-H64 PolarHBondContact O-N 3.18Å; H64-E66 VanDerWaalsContact C-N 3.32Å; H64-E66 PolarHBondContact O-N 2.89Å; H64-E68 WeakPolarHBondContact O-CA 3.43Å; H64-E68 VanDerWaalsContact O-CB 3.26Å; H64-E68 WeakPolarHBondContact O-CB 2.96Å; H64-E68 PolarHBondContact O-N 3.48Å; H64-L69 PolarHBondContact O-N 2.78Å
65	K	85.1	Confident	81.5	Confident	45 Å²	45	69 Å²	69	20%	0.196	34%	0.337	C	S	.	.	I	π-helix	trans	-60.2	-42	176.7	-171.9	170.5	175.3	178.5	0	111.9	A61 R62 L69 K70 T107 M108 E112	A61-K65 WeakPolarHBondContact O-CB 3.33Å; A61-K65 PolarHBondContact O-N 2.88Å; R62-K65 PolarHBondContact O-N 2.79Å; K65-L69 HydrophobicContact CB-CD1 4.29Å; K65-L69 HydrophobicContact CG-CB 4.44Å; K65-L69 HydrophobicContact CG-CD1 4.22Å; K65-L69 WeakPolarHBondContact O-CB 3.45Å; K65-L69 PolarHBondContact O-N 2.75Å; K65-K70 WeakPolarHBondContact O-CG 3.4Å; K65-K70 PolarHBondContact O-N 3.38Å; K65-T107 PolarHBondContact NZ-O 2.79Å; K65-M108 VanDerWaalsContact CE-SD 3.59Å; K65-E112 WeakPolarHBondContact CE-OE2 3.29Å; K65-E112 IonicContact NZ-OE1 2.94Å; K65-E112 IonicContact NZ-OE2 3.9Å; K65-E112 PolarHBondContact NZ-OE2 3.32Å
66	E	84.2	Confident	83.3	Confident	106 Å²	106	64.9 Å²	64.9	50%	0.495	32%	0.318	S	S	.	.	I	π-helix	trans	-72	-47	178.2	-73.1	-64.5	156.9	0	0	113.8	R62 R63 H64 K70 P71	R62-E66 WeakPolarHBondContact O-CG 3.4Å; R62-E66 PolarHBondContact O-N 3.01Å; R63-E66 PolarHBondContact O-N 3.25Å; H64-E66 VanDerWaalsContact C-N 3.32Å; H64-E66 PolarHBondContact O-N 2.89Å; E66-K70 WeakPolarHBondContact OE1-CE 2.99Å; E66-K70 IonicContact OE1-NZ 3.93Å; E66-K70 PolarHBondContact OE1-NZ 3.23Å; E66-K70 WeakPolarHBondContact OE2-CD 3.1Å; E66-K70 IonicContact OE2-NZ 2.69Å; E66-P71 WeakPolarHBondContact O-CD 3.38Å
67	M	81.8	Confident	84.2	Confident	101 Å²	101	60.6 Å²	60.6	50%	0.498	30%	0.295	S	S	.	.	I	π-helix	trans	-90	-25	-172.1	-68.9	-159.6	-126	0	0	114.9	R63 R313	R63-M67 HydrophobicContact CG-CE 3.4Å; R63-M67 WeakPolarHBondContact O-CB 3.34Å; R63-M67 PolarHBondContact O-N 2.97Å; M67-R313 PolarHBondContact O-NH2 3.37Å
68	E	83.3	Confident	84.9	Confident	74 Å²	74	55.8 Å²	55.8	35%	0.346	26%	0.264	S	S	.	.	I	π-helix	trans	-108.6	-53.8	-178.3	-62.3	-62.7	140.2	0	0	111.5	H64 L72 R313	H64-E68 WeakPolarHBondContact O-CA 3.43Å; H64-E68 VanDerWaalsContact O-CB 3.26Å; H64-E68 WeakPolarHBondContact O-CB 2.96Å; H64-E68 PolarHBondContact O-N 3.48Å; E68-L72 WeakPolarHBondContact O-CD1 3.4Å; E68-L72 VanDerWaalsContact O-CG 3.25Å; E68-L72 WeakPolarHBondContact O-CG 3.24Å; E68-R313 IonicContact OE1-CZ 3.58Å; E68-R313 IonicContact OE1-NH1 3.84Å; E68-R313 IonicContact OE1-NH2 2.62Å; E68-R313 PolarHBondContact OE1-NH2 3.02Å; E68-R313 IonicContact OE2-CZ 2.76Å; E68-R313 VanDerWaalsContact OE2-CZ 3.25Å; E68-R313 IonicContact OE2-NH1 2.66Å; E68-R313 PolarHBondContact OE2-NH1 3.44Å; E68-R313 IonicContact OE2-NH2 2.85Å; E68-R313 PolarHBondContact OE2-NH2 3.47Å
69	L	88.1	Confident	85.7	Confident	14 Å²	14	50.1 Å²	50.1	7%	0.073	24%	0.237	C	C	.	.	I	π-helix	trans	-76.1	-46.7	-169.9	-60.6	-176	0	0	0	113.8	H64 K65 L72 Y73 F106 M108 Q325	H64-L69 PolarHBondContact O-N 2.78Å; K65-L69 HydrophobicContact CB-CD1 4.29Å; K65-L69 HydrophobicContact CG-CB 4.44Å; K65-L69 HydrophobicContact CG-CD1 4.22Å; K65-L69 WeakPolarHBondContact O-CB 3.45Å; K65-L69 PolarHBondContact O-N 2.75Å; L69-L72 PolarHBondContact O-N 2.95Å; L69-Y73 WeakPolarHBondContact O-CB 3.25Å; L69-Y73 PolarHBondContact O-N 2.98Å; L69-F106 HydrophobicContact CB-CD1 4.07Å; L69-F106 HydrophobicContact CD2-CD1 4.09Å; L69-F106 HydrophobicContact CD2-CE1 4.22Å; L69-M108 HydrophobicContact CB-CE 4.16Å; L69-Q325 VanDerWaalsContact CD2-CD 3.42Å; L69-Q325 HydrophobicContact CD2-CG 3.42Å; L69-Q325 VanDerWaalsContact CD2-CG 3.42Å
70	K	89.3	Confident	86.5	Confident	29 Å²	29	48.2 Å²	48.2	13%	0.126	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-40.1	-177.6	-75.1	-175.9	-177.7	-177.2	0	113.9	K65 E66 Y73 K74 M108 E112 L116	K65-K70 WeakPolarHBondContact O-CG 3.4Å; K65-K70 PolarHBondContact O-N 3.38Å; E66-K70 WeakPolarHBondContact OE1-CE 2.99Å; E66-K70 IonicContact OE1-NZ 3.93Å; E66-K70 PolarHBondContact OE1-NZ 3.23Å; E66-K70 WeakPolarHBondContact OE2-CD 3.1Å; E66-K70 IonicContact OE2-NZ 2.69Å; K70-Y73 PolarHBondContact O-N 3.06Å; K70-K74 WeakPolarHBondContact O-CE 3.17Å; K70-K74 WeakPolarHBondContact O-CG 3.36Å; K70-K74 PolarHBondContact O-N 2.98Å; K70-M108 HydrophobicContact CG-CE 3.92Å; K70-E112 VanDerWaalsContact CE-OE1 3.25Å; K70-E112 WeakPolarHBondContact CE-OE1 3.16Å; K70-E112 IonicContact NZ-OE1 3.87Å; K70-E112 PolarHBondContact NZ-OE1 3.31Å; K70-L116 HydrophobicContact CD-CD1 4.5Å; K70-L116 HydrophobicContact CG-CD1 4.16Å
71	P	89.4	Confident	87	Confident	8 Å²	8	44 Å²	44	5%	0.052	21%	0.212	C	C	.	.	H	α-helix	trans	-58.2	-47.9	172.1	-27.8	36.9	0	0	0	113.2	E66 Y73 K74 E75 A311	E66-P71 WeakPolarHBondContact O-CD 3.38Å; P71-Y73 VanDerWaalsContact C-N 3.32Å; P71-Y73 PolarHBondContact O-N 3.45Å; P71-K74 PolarHBondContact O-N 2.68Å; P71-E75 PolarHBondContact O-N 3.03Å; P71-E75 VanDerWaalsContact O-N 3.13Å; P71-A311 HydrophobicContact CB-CB 4.1Å; P71-A311 HydrophobicContact CG-CB 4.08Å
72	L	91.1	Very high	87.4	Confident	4 Å²	4	42.4 Å²	42.4	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-64.4	-38	178.7	-58.5	174.2	0	0	0	111.8	E68 L69 E75 L76 F106 N318 I322	E68-L72 WeakPolarHBondContact O-CD1 3.4Å; E68-L72 VanDerWaalsContact O-CG 3.25Å; E68-L72 WeakPolarHBondContact O-CG 3.24Å; L69-L72 PolarHBondContact O-N 2.95Å; L72-E75 PolarHBondContact O-N 3.26Å; L72-L76 WeakPolarHBondContact O-CG 3.48Å; L72-L76 PolarHBondContact O-N 2.7Å; L72-L76 VanDerWaalsContact O-N 3.12Å; L72-F106 HydrophobicContact CB-CE1 3.91Å; L72-F106 HydrophobicContact CB-CZ 4.15Å; L72-N318 HydrophobicContact CD2-CB 3.9Å; L72-I322 HydrophobicContact CB-CG1 4.06Å; L72-I322 HydrophobicContact CD2-CG1 4.15Å
73	Y	92	Very high	87.8	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.5	-44.9	175.7	-166.3	-98.6	0	0	0	112.2	L69 K70 P71 E75 L76 L77 L102 K103 F106 M108 H113 L116	L69-Y73 WeakPolarHBondContact O-CB 3.25Å; L69-Y73 PolarHBondContact O-N 2.98Å; K70-Y73 PolarHBondContact O-N 3.06Å; P71-Y73 VanDerWaalsContact C-N 3.32Å; P71-Y73 PolarHBondContact O-N 3.45Å; Y73-E75 VanDerWaalsContact C-N 3.34Å; Y73-E75 PolarHBondContact O-N 3.43Å; Y73-L76 PolarHBondContact O-N 2.71Å; Y73-L77 HydrophobicContact CD1-CD1 3.77Å; Y73-L77 HydrophobicContact CD1-CG 4.05Å; Y73-L77 HydrophobicContact CE1-CD1 3.56Å; Y73-L77 HydrophobicContact CE1-CD2 4.18Å; Y73-L77 HydrophobicContact CE1-CG 3.91Å; Y73-L77 WeakPolarHBondContact O-CG 3.41Å; Y73-L77 PolarHBondContact O-N 3.39Å; Y73-L102 HydrophobicContact CD2-CB 4.42Å; Y73-L102 HydrophobicContact CE2-CB 3.66Å; Y73-L102 WeakPolarHBondContact CE2-O 3.32Å; Y73-K103 VanDerWaalsContact OH-CG 3.23Å; Y73-K103 WeakPolarHBondContact OH-CG 3.39Å; Y73-F106 HydrophobicContact CD2-CB 3.62Å; Y73-F106 HydrophobicContact CD2-CD1 4.23Å; Y73-F106 AromaticContact CD2-CD2 3.73Å; Y73-F106 HydrophobicContact CD2-CD2 3.73Å; Y73-F106 HydrophobicContact CD2-CE2 4.44Å; Y73-F106 AromaticContact CD2-CG 3.61Å; Y73-F106 HydrophobicContact CD2-CG 3.61Å; Y73-F106 HydrophobicContact CE2-CB 3.99Å; Y73-F106 HydrophobicContact CE2-CD2 4.3Å; Y73-F106 HydrophobicContact CE2-CG 4.32Å; Y73-M108 HydrophobicContact CD1-CG 4.47Å; Y73-M108 HydrophobicContact CD2-CE 4.37Å; Y73-M108 HydrophobicContact CD2-CG 3.91Å; Y73-M108 HydrophobicContact CE1-CG 4.26Å; Y73-M108 HydrophobicContact CE2-CB 4.3Å; Y73-M108 HydrophobicContact CE2-CG 3.67Å; Y73-M108 HydrophobicContact CG-CE 4.27Å; Y73-M108 HydrophobicContact CG-CG 4.29Å; Y73-H113 AromaticContact CE1-ND1 3.76Å; Y73-H113 AromaticContact CZ-ND1 3.77Å; Y73-H113 PolarHBondContact OH-ND1 3.17Å; Y73-L116 HydrophobicContact CD1-CB 4.44Å; Y73-L116 HydrophobicContact CD1-CD1 3.67Å; Y73-L116 HydrophobicContact CE1-CD1 4.24Å
74	K	89.8	Confident	87.9	Confident	37 Å²	37	32.6 Å²	32.6	16%	0.161	16%	0.16	C	C	.	.	H	α-helix	trans	-60.3	-42.9	176	-74.1	-179.1	-69.5	153.7	0	112	K70 P71 L76 L77 Y78 L116 V120 L309	K70-K74 WeakPolarHBondContact O-CE 3.17Å; K70-K74 WeakPolarHBondContact O-CG 3.36Å; K70-K74 PolarHBondContact O-N 2.98Å; P71-K74 PolarHBondContact O-N 2.68Å; K74-L76 VanDerWaalsContact C-N 3.31Å; K74-L76 PolarHBondContact O-N 3.21Å; K74-L77 PolarHBondContact O-N 3.26Å; K74-Y78 WeakPolarHBondContact O-CB 3.41Å; K74-Y78 PolarHBondContact O-N 2.93Å; K74-L116 HydrophobicContact CD-CD2 4.02Å; K74-L116 HydrophobicContact CG-CB 4.48Å; K74-L116 HydrophobicContact CG-CD2 3.91Å; K74-V120 HydrophobicContact CB-CG2 4.22Å; K74-V120 HydrophobicContact CG-CG2 4.42Å; K74-L309 HydrophobicContact CB-CD2 4.28Å; K74-L309 HydrophobicContact CD-CD2 4.08Å; K74-L309 PolarHBondContact NZ-O 2.93Å; K74-L309 VanDerWaalsContact NZ-O 3.08Å
75	E	89.9	Confident	87.7	Confident	3 Å²	3	29.8 Å²	29.8	1%	0.014	16%	0.155	C	C	.	.	H	α-helix	trans	-59.9	-40.7	176.2	-78	-58.4	147.9	0	0	112.6	P71 L72 Y73 Y78 T79 R305 L309 S310 Y355	P71-E75 PolarHBondContact O-N 3.03Å; P71-E75 VanDerWaalsContact O-N 3.13Å; L72-E75 PolarHBondContact O-N 3.26Å; Y73-E75 VanDerWaalsContact C-N 3.34Å; Y73-E75 PolarHBondContact O-N 3.43Å; E75-Y78 PolarHBondContact O-N 3.41Å; E75-T79 WeakPolarHBondContact O-CB 3.44Å; E75-T79 PolarHBondContact O-N 2.55Å; E75-T79 PolarHBondContact O-OG1 3.37Å; E75-R305 IonicContact OE2-CZ 2.71Å; E75-R305 IonicContact OE2-NH2 2.71Å; E75-R305 PolarHBondContact OE2-NH2 3.38Å; E75-L309 WeakPolarHBondContact OE1-CB 3.44Å; E75-S310 WeakPolarHBondContact OE1-CA 3.35Å; E75-S310 WeakPolarHBondContact OE1-CB 3.24Å; E75-S310 PolarHBondContact OE1-N 3.35Å; E75-S310 VanDerWaalsContact OE1-N 3.14Å; E75-S310 PolarHBondContact OE1-OG 3.18Å; E75-Y355 HydrophobicContact CB-CE2 4.04Å
76	L	91.1	Very high	87.4	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-70.5	-39.7	178.1	-72	165.8	0	0	0	112.2	L72 Y73 K74 Y78 T79 I80 L102 F106 I322 F326 L351	L72-L76 WeakPolarHBondContact O-CG 3.48Å; L72-L76 PolarHBondContact O-N 2.7Å; L72-L76 VanDerWaalsContact O-N 3.12Å; Y73-L76 PolarHBondContact O-N 2.71Å; K74-L76 VanDerWaalsContact C-N 3.31Å; K74-L76 PolarHBondContact O-N 3.21Å; L76-Y78 VanDerWaalsContact C-N 3.33Å; L76-T79 WeakPolarHBondContact O-CB 3.26Å; L76-T79 PolarHBondContact O-N 2.93Å; L76-I80 WeakPolarHBondContact O-CG1 3.04Å; L76-I80 PolarHBondContact O-N 3.34Å; L76-L102 HydrophobicContact CB-CD1 3.82Å; L76-L102 HydrophobicContact CB-CD2 3.93Å; L76-L102 HydrophobicContact CD1-CD2 3.57Å; L76-L102 HydrophobicContact CG-CD2 4.27Å; L76-F106 HydrophobicContact CD1-CE2 3.46Å; L76-F106 VanDerWaalsContact CD1-CE2 3.46Å; L76-F106 HydrophobicContact CD1-CZ 3.64Å; L76-I322 HydrophobicContact CD1-CD1 4.26Å; L76-I322 HydrophobicContact CD1-CG1 3.99Å; L76-I322 HydrophobicContact CD1-CG2 3.91Å; L76-I322 HydrophobicContact CD2-CD1 3.94Å; L76-I322 HydrophobicContact CD2-CG1 4.46Å; L76-I322 HydrophobicContact CD2-CG2 4.06Å; L76-I322 HydrophobicContact CG-CD1 3.91Å; L76-I322 HydrophobicContact CG-CG1 4.21Å; L76-I322 HydrophobicContact CG-CG2 4.42Å; L76-F326 HydrophobicContact CD1-CE1 4.17Å; L76-F326 HydrophobicContact CD1-CZ 3.81Å; L76-F326 HydrophobicContact CD2-CZ 4.3Å; L76-L351 HydrophobicContact CD2-CB 4.31Å
77	L	90.9	Very high	86.8	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.6	-42.1	172.2	-69.6	-177.1	0	0	0	111.7	Y73 K74 T79 I80 A81 L102 L116 M117 V120	Y73-L77 HydrophobicContact CD1-CD1 3.77Å; Y73-L77 HydrophobicContact CD1-CG 4.05Å; Y73-L77 HydrophobicContact CE1-CD1 3.56Å; Y73-L77 HydrophobicContact CE1-CD2 4.18Å; Y73-L77 HydrophobicContact CE1-CG 3.91Å; Y73-L77 WeakPolarHBondContact O-CG 3.41Å; Y73-L77 PolarHBondContact O-N 3.39Å; K74-L77 PolarHBondContact O-N 3.26Å; L77-T79 VanDerWaalsContact C-N 3.3Å; L77-T79 PolarHBondContact O-N 3.39Å; L77-I80 PolarHBondContact O-N 2.85Å; L77-A81 WeakPolarHBondContact O-CB 3.15Å; L77-A81 PolarHBondContact O-N 3.29Å; L77-L102 HydrophobicContact CD2-CD1 3.98Å; L77-L116 HydrophobicContact CD1-CB 4.16Å; L77-M117 HydrophobicContact CB-SD 4.25Å; L77-M117 HydrophobicContact CD1-CB 4.34Å; L77-M117 HydrophobicContact CD1-SD 4.08Å; L77-M117 HydrophobicContact CD2-SD 4.01Å; L77-M117 HydrophobicContact CG-SD 4.35Å; L77-V120 HydrophobicContact CB-CB 4.47Å; L77-V120 HydrophobicContact CB-CG1 4.27Å; L77-V120 HydrophobicContact CB-CG2 4.07Å
78	Y	89.8	Confident	86.1	Confident	2 Å²	2	27 Å²	27	1%	0.008	15%	0.154	C	C	.	.	H	α-helix	trans	-62.8	-39.5	175.1	-171.6	-87.8	0	0	0	111.3	K74 E75 L76 I80 A81 H82 V120 T123 E124 P126 R305 L309	K74-Y78 WeakPolarHBondContact O-CB 3.41Å; K74-Y78 PolarHBondContact O-N 2.93Å; E75-Y78 PolarHBondContact O-N 3.41Å; L76-Y78 VanDerWaalsContact C-N 3.33Å; Y78-I80 VanDerWaalsContact C-N 3.35Å; Y78-I80 PolarHBondContact O-N 2.77Å; Y78-A81 PolarHBondContact O-N 2.83Å; Y78-H82 AromaticContact CD1-CD2 3.84Å; Y78-H82 AromaticContact CD2-CD2 3.79Å; Y78-H82 AromaticContact CE1-CD2 3.67Å; Y78-H82 AromaticContact CE2-CD2 3.61Å; Y78-H82 AromaticContact CE2-NE2 3.62Å; Y78-H82 AromaticContact CG-CD2 3.92Å; Y78-H82 AromaticContact CZ-CD2 3.58Å; Y78-H82 AromaticContact CZ-NE2 3.88Å; Y78-H82 PolarHBondContact O-CD2 3.1Å; Y78-H82 PolarHBondContact O-N 2.84Å; Y78-V120 HydrophobicContact CD2-CG1 4.12Å; Y78-V120 HydrophobicContact CG-CG1 4.49Å; Y78-T123 WeakPolarHBondContact CD2-OG1 3.41Å; Y78-T123 WeakPolarHBondContact CE2-OG1 3.32Å; Y78-E124 PolarHBondContact OH-O 2.56Å; Y78-P126 HydrophobicContact CE1-CB 4.43Å; Y78-P126 HydrophobicContact CE1-CG 4.22Å; Y78-P126 WeakPolarHBondContact OH-CD 3.36Å; Y78-R305 HydrophobicContact CE1-CG 4.32Å; Y78-L309 HydrophobicContact CD2-CD1 3.43Å; Y78-L309 VanDerWaalsContact CD2-CD1 3.43Å; Y78-L309 HydrophobicContact CE2-CD1 4.07Å; Y78-L309 HydrophobicContact CG-CD1 3.9Å
79	T	89.9	Confident	85.4	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.2	-40.1	176.5	-58.1	0	0	0	0	112	E75 L76 L77 H82 K83 L354 Y355 Q358	E75-T79 WeakPolarHBondContact O-CB 3.44Å; E75-T79 PolarHBondContact O-N 2.55Å; E75-T79 PolarHBondContact O-OG1 3.37Å; L76-T79 WeakPolarHBondContact O-CB 3.26Å; L76-T79 PolarHBondContact O-N 2.93Å; L77-T79 VanDerWaalsContact C-N 3.3Å; L77-T79 PolarHBondContact O-N 3.39Å; T79-H82 CarbonylContact O-C 3.49Å; T79-K83 PolarHBondContact O-N 2.98Å; T79-L354 HydrophobicContact CG2-CB 3.82Å; T79-Y355 WeakPolarHBondContact OG1-CD2 3.42Å; T79-Q358 PolarHBondContact O-NE2 3.1Å
80	I	90	Very high	84.2	Confident	4 Å²	4	30 Å²	30	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-68.6	-44.8	175.7	-65.1	167.3	0	0	0	110.7	L76 L77 Y78 H82 K83 D95 L98 L102 L351	L76-I80 WeakPolarHBondContact O-CG1 3.04Å; L76-I80 PolarHBondContact O-N 3.34Å; L77-I80 PolarHBondContact O-N 2.85Å; Y78-I80 VanDerWaalsContact C-N 3.35Å; Y78-I80 PolarHBondContact O-N 2.77Å; I80-H82 PolarHBondContact O-N 3.32Å; I80-K83 PolarHBondContact O-N 3.07Å; I80-D95 HydrophobicContact CG2-CB 4.14Å; I80-L98 HydrophobicContact CD1-CB 3.75Å; I80-L98 HydrophobicContact CG1-CB 4.32Å; I80-L98 HydrophobicContact CG1-CD1 4.28Å; I80-L102 HydrophobicContact CD1-CD1 3.48Å; I80-L102 VanDerWaalsContact CD1-CD1 3.48Å; I80-L102 HydrophobicContact CD1-CG 4.4Å; I80-L351 HydrophobicContact CD1-CD2 3.84Å; I80-L351 HydrophobicContact CG1-CD2 3.63Å
81	A	88.4	Confident	83.6	Confident	50 Å²	50	34.6 Å²	34.6	41%	0.413	21%	0.213	S	C	.	.	H	α-helix	trans	-60.6	-34.2	-179.1	0	0	0	0	0	112.7	L77 Y78	L77-A81 WeakPolarHBondContact O-CB 3.15Å; L77-A81 PolarHBondContact O-N 3.29Å; Y78-A81 PolarHBondContact O-N 2.83Å
82	H	87.4	Confident	83	Confident	27 Å²	27	39.7 Å²	39.7	13%	0.125	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	33.9	-177.1	-60.4	-68.4	0	0	0	112.9	Y78 T79 I80 P126 Y128 H302 Q358	Y78-H82 AromaticContact CD1-CD2 3.84Å; Y78-H82 AromaticContact CD2-CD2 3.79Å; Y78-H82 AromaticContact CE1-CD2 3.67Å; Y78-H82 AromaticContact CE2-CD2 3.61Å; Y78-H82 AromaticContact CE2-NE2 3.62Å; Y78-H82 AromaticContact CG-CD2 3.92Å; Y78-H82 AromaticContact CZ-CD2 3.58Å; Y78-H82 AromaticContact CZ-NE2 3.88Å; Y78-H82 PolarHBondContact O-CD2 3.1Å; Y78-H82 PolarHBondContact O-N 2.84Å; T79-H82 CarbonylContact O-C 3.49Å; I80-H82 PolarHBondContact O-N 3.32Å; H82-P126 HydrophobicContact CB-CG 3.9Å; H82-P126 VanDerWaalsContact CG-CD 3.47Å; H82-P126 WeakPolarHBondContact ND1-CD 3.29Å; H82-Y128 HydrophobicContact CB-CE1 4.22Å; H82-Y128 AromaticContact ND1-CZ 4Å; H82-Y128 PolarHBondContact ND1-OH 2.71Å; H82-H302 PolarHBondContact O-CE1 2.86Å; H82-H302 VanDerWaalsContact O-CE1 3.28Å; H82-H302 PolarHBondContact O-NE2 3.28Å; H82-Q358 PolarHBondContact O-NE2 3.07Å
83	K	86.6	Confident	82.6	Confident	88 Å²	88	41 Å²	41	38%	0.383	25%	0.249	S	C	.	.			trans	-63.8	140.1	178.1	67.9	-177.4	177.9	-177.3	0	111.9	T79 I80 D95 L354	T79-K83 PolarHBondContact O-N 2.98Å; I80-K83 PolarHBondContact O-N 3.07Å; K83-D95 WeakPolarHBondContact CE-OD1 3.27Å; K83-D95 IonicContact NZ-OD1 3.2Å; K83-D95 PolarHBondContact NZ-OD1 3.09Å; K83-D95 IonicContact NZ-OD2 2.77Å; K83-D95 PolarHBondContact NZ-OD2 3.48Å; K83-L354 HydrophobicContact CB-CD1 4.46Å; K83-L354 HydrophobicContact CB-CD2 4.45Å
84	M	84.1	Confident	82.4	Confident	5 Å²	5	44.4 Å²	44.4	3%	0.025	27%	0.271	C	S	.	.			trans	-131	145.3	178.9	-63.3	-178.5	-72.8	0	0	110.9	Y128 F209 L212 C273 F300 H302 Q358	M84-Y128 HydrophobicContact CE-CD1 4.4Å; M84-Y128 HydrophobicContact CG-CD1 4.06Å; M84-Y128 HydrophobicContact CG-CE1 4.41Å; M84-Y128 HydrophobicContact SD-CD1 3.47Å; M84-Y128 WeakPolarHBondContact SD-CD1 3.34Å; M84-Y128 HydrophobicContact SD-CE1 4.34Å; M84-Y128 HydrophobicContact SD-CG 4.16Å; M84-F209 HydrophobicContact SD-CZ 3.98Å; M84-L212 HydrophobicContact CB-CD1 4.31Å; M84-L212 HydrophobicContact CG-CD1 4.17Å; M84-C273 PolarHBondContact O-SG 3.07Å; M84-F300 HydrophobicContact CB-CB 3.88Å; M84-F300 HydrophobicContact CB-CD1 4.32Å; M84-F300 HydrophobicContact CB-CD2 4.39Å; M84-F300 HydrophobicContact CB-CG 3.97Å; M84-F300 HydrophobicContact CE-CB 3.73Å; M84-F300 HydrophobicContact SD-CB 4.01Å; M84-F300 HydrophobicContact SD-CD1 4.11Å; M84-F300 HydrophobicContact SD-CG 4.36Å; M84-H302 WeakPolarHBondContact CE-CD2 3.1Å; M84-H302 WeakPolarHBondContact CE-NE2 3.46Å; M84-Q358 HydrophobicContact CE-CG 4.25Å
85	G	79.6	Confident	82.3	Confident	29 Å²	29	45.4 Å²	45.4	30%	0.299	28%	0.278	S	S	.	.	S	Bend	trans	68.9	171	179.1	0	0	0	0	0	113.6	L271	G85-L271 WeakPolarHBondContact CA-O 3.5Å
86	K	77.6	Confident	82.2	Confident	97 Å²	97	49.2 Å²	49.2	42%	0.422	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-85.5	138	171.6	-63.8	171.5	-169.9	157.1	0	110	D270 L271 H272 C273	K86-D270 PolarHBondContact NZ-O 2.8Å; K86-L271 PolarHBondContact N-O 3.34Å; K86-H272 CarbonylContact O-C 3.5Å; K86-H272 WeakPolarHBondContact O-CA 3.3Å; K86-H272 VanDerWaalsContact O-CB 3.3Å; K86-H272 WeakPolarHBondContact O-CB 3.39Å; K86-C273 PolarHBondContact O-N 3.44Å; K86-C273 PolarHBondContact O-SG 3.43Å
87	P	72.4	Confident	82.1	Confident	23 Å²	23	53.5 Å²	53.5	15%	0.149	33%	0.325	C	S	.	.			trans	-62.9	153.4	175.3	27.9	-34	0	0	0	110.7	S89 T350	P87-S89 PolarHBondContact O-N 3.01Å; P87-T350 HydrophobicContact CB-CG2 4.18Å
88	A	67.5	Low	82	Confident	73 Å²	73	53.7 Å²	53.7	60%	0.603	33%	0.326	S	S	*	.	S	Bend	trans	-71.1	-16.9	178.6	0	0	0	0	0	113.2	E353	A88-E353 VanDerWaalsContact CB-OE1 3.23Å; A88-E353 WeakPolarHBondContact CB-OE1 3.33Å; A88-E353 PolarHBondContact N-OE1 3.31Å
89	S	69.5	Low	82.1	Confident	41 Å²	41	55.3 Å²	55.3	29%	0.287	33%	0.333	S	S	.	.	S	Bend	trans	-72.2	143.9	177.3	60	0	0	0	0	112.7	P87 E91	P87-S89 PolarHBondContact O-N 3.01Å; S89-E91 PolarHBondContact O-N 2.99Å; S89-E91 PolarHBondContact OG-O 2.81Å
90	A	62.8	Low	82.2	Confident	111 Å²	111	59.4 Å²	59.4	92%	0.917	35%	0.352	S	S	*	.	S	Bend	trans	-65.9	-22	172.8	0	0	0	0	0	112.8
91	E	74.8	Confident	82.2	Confident	125 Å²	125	60.2 Å²	60.2	58%	0.584	36%	0.355	S	S	*	.	S	Bend	trans	-89.5	119.3	175.7	-65.1	-178.4	176	0	0	109.7	S89 F93	S89-E91 PolarHBondContact O-N 2.99Å; S89-E91 PolarHBondContact OG-O 2.81Å; E91-F93 HydrophobicContact CB-CE2 3.97Å; E91-F93 HydrophobicContact CB-CZ 4Å
92	V	77.1	Confident	82.5	Confident	115 Å²	115	57.9 Å²	57.9	70%	0.697	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-103.5	120.7	176.9	-178.3	0	0	0	0	109.3
93	F	83.9	Confident	82.6	Confident	30 Å²	30	58.3 Å²	58.3	13%	0.132	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-97.5	141.3	179.6	-60.9	-82.1	0	0	0	111.7	E91 L98 G346 E347 T350	E91-F93 HydrophobicContact CB-CE2 3.97Å; E91-F93 HydrophobicContact CB-CZ 4Å; F93-L98 HydrophobicContact CB-CD2 3.86Å; F93-L98 HydrophobicContact CB-CG 4.16Å; F93-L98 HydrophobicContact CG-CD2 4.44Å; F93-G346 VanDerWaalsContact CE2-C 3.4Å; F93-E347 HydrophobicContact CD1-CG 3.76Å; F93-E347 HydrophobicContact CE1-CG 3.83Å; F93-E347 HydrophobicContact CG-CG 4.24Å; F93-E347 HydrophobicContact CZ-CG 4.4Å; F93-T350 WeakPolarHBondContact CD2-OG1 3.23Å
94	T	86.9	Confident	82.8	Confident	72 Å²	72	58.1 Å²	58.1	44%	0.442	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-79.5	157.4	174.1	67.6	0	0	0	0	111.3	S96 Q97 L98	T94-S96 PolarHBondContact O-N 2.63Å; T94-S96 PolarHBondContact OG1-OG 2.79Å; T94-Q97 WeakPolarHBondContact O-CB 3.25Å; T94-Q97 PolarHBondContact O-N 3.04Å; T94-Q97 WeakPolarHBondContact OG1-CG 3.44Å; T94-Q97 PolarHBondContact OG1-N 3.01Å; T94-Q97 PolarHBondContact OG1-OE1 2.86Å; T94-L98 PolarHBondContact O-N 3.24Å; T94-L98 VanDerWaalsContact O-N 3.07Å
95	D	87.2	Confident	83	Confident	58 Å²	58	58.2 Å²	58.2	31%	0.31	34%	0.339	S	S	.	.	H	α-helix	trans	-59.5	-33.4	178.5	-63.8	-31.3	0	0	0	112.2	I80 K83 Q97 L98 H99	I80-D95 HydrophobicContact CG2-CB 4.14Å; K83-D95 WeakPolarHBondContact CE-OD1 3.27Å; K83-D95 IonicContact NZ-OD1 3.2Å; K83-D95 PolarHBondContact NZ-OD1 3.09Å; K83-D95 IonicContact NZ-OD2 2.77Å; K83-D95 PolarHBondContact NZ-OD2 3.48Å; D95-Q97 VanDerWaalsContact C-N 3.35Å; D95-Q97 PolarHBondContact O-N 3.03Å; D95-L98 PolarHBondContact O-N 3.46Å; D95-H99 WeakPolarHBondContact O-CB 3.26Å; D95-H99 PolarHBondContact O-N 3.33Å; D95-H99 PolarHBondContact O-ND1 3.25Å
96	S	88.2	Confident	83.6	Confident	83 Å²	83	56.9 Å²	56.9	58%	0.58	33%	0.325	S	S	*	.	H	α-helix	trans	-63.8	-38.4	174.6	62.9	0	0	0	0	112.8	T94 Q100	T94-S96 PolarHBondContact O-N 2.63Å; T94-S96 PolarHBondContact OG1-OG 2.79Å; S96-Q100 WeakPolarHBondContact O-CB 3.31Å; S96-Q100 PolarHBondContact O-N 3.22Å
97	Q	89.1	Confident	84.1	Confident	91 Å²	91	56.9 Å²	56.9	43%	0.425	33%	0.334	S	S	.	.	H	α-helix	trans	-68.3	-42.6	176.8	-71.3	170.7	-39.4	0	0	110.9	T94 D95 Q100 Y101	T94-Q97 WeakPolarHBondContact O-CB 3.25Å; T94-Q97 PolarHBondContact O-N 3.04Å; T94-Q97 WeakPolarHBondContact OG1-CG 3.44Å; T94-Q97 PolarHBondContact OG1-N 3.01Å; T94-Q97 PolarHBondContact OG1-OE1 2.86Å; D95-Q97 VanDerWaalsContact C-N 3.35Å; D95-Q97 PolarHBondContact O-N 3.03Å; Q97-Q100 PolarHBondContact O-N 2.76Å; Q97-Y101 PolarHBondContact O-N 2.95Å
98	L	89.8	Confident	84.9	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.021	33%	0.33	C	S	.	.	H	α-helix	trans	-64.6	-44.5	177.4	-62.9	-179.2	0	0	0	112	I80 F93 T94 D95 Q100 Y101 L102 E347 L351	I80-L98 HydrophobicContact CD1-CB 3.75Å; I80-L98 HydrophobicContact CG1-CB 4.32Å; I80-L98 HydrophobicContact CG1-CD1 4.28Å; F93-L98 HydrophobicContact CB-CD2 3.86Å; F93-L98 HydrophobicContact CB-CG 4.16Å; F93-L98 HydrophobicContact CG-CD2 4.44Å; T94-L98 PolarHBondContact O-N 3.24Å; T94-L98 VanDerWaalsContact O-N 3.07Å; D95-L98 PolarHBondContact O-N 3.46Å; L98-Q100 VanDerWaalsContact C-N 3.34Å; L98-Q100 PolarHBondContact O-N 3.31Å; L98-Y101 PolarHBondContact O-N 2.87Å; L98-L102 WeakPolarHBondContact O-CG 3.3Å; L98-L102 PolarHBondContact O-N 2.79Å; L98-E347 HydrophobicContact CD2-CB 4.09Å; L98-E347 HydrophobicContact CD2-CG 4.46Å; L98-L351 HydrophobicContact CB-CD2 4.43Å; L98-L351 HydrophobicContact CD1-CD2 4.21Å; L98-L351 HydrophobicContact CD2-CD1 4.31Å; L98-L351 HydrophobicContact CD2-CD2 4.35Å; L98-L351 HydrophobicContact CD2-CG 4.06Å
99	H	91.9	Very high	86	Confident	35 Å²	35	56.4 Å²	56.4	16%	0.162	32%	0.322	C	S	.	.	H	α-helix	trans	-61.8	-41	175	-67.8	140.2	0	0	0	112.4	D95 L102 K103	D95-H99 WeakPolarHBondContact O-CB 3.26Å; D95-H99 PolarHBondContact O-N 3.33Å; D95-H99 PolarHBondContact O-ND1 3.25Å; H99-L102 PolarHBondContact O-N 3.38Å; H99-K103 WeakPolarHBondContact O-CG 3.44Å; H99-K103 PolarHBondContact O-N 2.89Å
100	Q	90.7	Very high	87	Confident	86 Å²	86	59.1 Å²	59.1	40%	0.402	33%	0.333	S	S	.	.	H	α-helix	trans	-63.7	-45	177	-175.8	61	23.9	0	0	111.5	S96 Q97 L98 L102 K103 E104	S96-Q100 WeakPolarHBondContact O-CB 3.31Å; S96-Q100 PolarHBondContact O-N 3.22Å; Q97-Q100 PolarHBondContact O-N 2.76Å; L98-Q100 VanDerWaalsContact C-N 3.34Å; L98-Q100 PolarHBondContact O-N 3.31Å; Q100-L102 PolarHBondContact O-N 2.83Å; Q100-K103 PolarHBondContact O-N 2.89Å; Q100-E104 PolarHBondContact NE2-OE1 2.95Å; Q100-E104 WeakPolarHBondContact O-CG 3.13Å; Q100-E104 PolarHBondContact O-N 2.98Å; Q100-E104 VanDerWaalsContact O-N 3.16Å
101	Y	91.5	Very high	88.3	Confident	22 Å²	22	61.9 Å²	61.9	9%	0.086	33%	0.327	C	S	.	.	H	α-helix	trans	-59	-45.4	175.2	174.6	-101.8	0	0	0	112	Q97 L98 K103 E104 A105 F326 C345 E347 A348 L351	Q97-Y101 PolarHBondContact O-N 2.95Å; L98-Y101 PolarHBondContact O-N 2.87Å; Y101-K103 PolarHBondContact O-N 2.8Å; Y101-E104 PolarHBondContact O-N 2.85Å; Y101-A105 HydrophobicContact CE1-CB 4.21Å; Y101-A105 HydrophobicContact CE2-CB 4.47Å; Y101-A105 WeakPolarHBondContact O-CB 3.49Å; Y101-A105 PolarHBondContact O-N 2.87Å; Y101-F326 HydrophobicContact CD1-CE1 4.47Å; Y101-F326 AromaticContact CE1-CD1 3.89Å; Y101-F326 HydrophobicContact CE1-CD1 3.89Å; Y101-F326 AromaticContact CE1-CE1 3.59Å; Y101-F326 HydrophobicContact CE1-CE1 3.59Å; Y101-F326 HydrophobicContact CE1-CE2 4.46Å; Y101-F326 HydrophobicContact CE1-CG 4.43Å; Y101-F326 AromaticContact CE1-CZ 3.92Å; Y101-F326 HydrophobicContact CE1-CZ 3.92Å; Y101-C345 WeakPolarHBondContact CE2-SG 3.42Å; Y101-E347 HydrophobicContact CD1-CB 3.96Å; Y101-E347 HydrophobicContact CD2-CB 4.15Å; Y101-E347 HydrophobicContact CG-CB 3.73Å; Y101-E347 HydrophobicContact CG-CG 4.39Å; Y101-A348 HydrophobicContact CE1-CB 3.83Å; Y101-A348 VanDerWaalsContact OH-CB 3.3Å; Y101-A348 WeakPolarHBondContact OH-CB 3.31Å; Y101-L351 HydrophobicContact CD1-CD1 3.83Å; Y101-L351 HydrophobicContact CE1-CD1 4.25Å
102	L	92.8	Very high	88.9	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-59.2	-47.2	177.5	-74.6	-176.4	0	0	0	112.1	Y73 L76 L77 I80 L98 H99 Q100 E104 A105 F106 F326 L351	Y73-L102 HydrophobicContact CD2-CB 4.42Å; Y73-L102 HydrophobicContact CE2-CB 3.66Å; Y73-L102 WeakPolarHBondContact CE2-O 3.32Å; L76-L102 HydrophobicContact CB-CD1 3.82Å; L76-L102 HydrophobicContact CB-CD2 3.93Å; L76-L102 HydrophobicContact CD1-CD2 3.57Å; L76-L102 HydrophobicContact CG-CD2 4.27Å; L77-L102 HydrophobicContact CD2-CD1 3.98Å; I80-L102 HydrophobicContact CD1-CD1 3.48Å; I80-L102 VanDerWaalsContact CD1-CD1 3.48Å; I80-L102 HydrophobicContact CD1-CG 4.4Å; L98-L102 WeakPolarHBondContact O-CG 3.3Å; L98-L102 PolarHBondContact O-N 2.79Å; H99-L102 PolarHBondContact O-N 3.38Å; Q100-L102 PolarHBondContact O-N 2.83Å; L102-E104 VanDerWaalsContact C-N 3.25Å; L102-E104 PolarHBondContact O-N 2.88Å; L102-A105 PolarHBondContact O-N 3.09Å; L102-F106 HydrophobicContact CD2-CD2 4.32Å; L102-F106 HydrophobicContact CD2-CE2 4.12Å; L102-F106 WeakPolarHBondContact O-CB 3.34Å; L102-F106 PolarHBondContact O-N 2.83Å; L102-F326 HydrophobicContact CD2-CE1 4Å; L102-F326 HydrophobicContact CD2-CZ 3.97Å; L102-L351 HydrophobicContact CD2-CD1 3.74Å; L102-L351 HydrophobicContact CG-CD1 4.04Å
103	K	91.3	Very high	89.6	Confident	37 Å²	37	53.4 Å²	53.4	16%	0.161	28%	0.28	C	S	.	.	H	α-helix	trans	-56	-43.5	178.2	-75.5	-171	-58.9	177.4	0	111.5	Y73 H99 Q100 Y101 T107 M108 D110 H113	Y73-K103 VanDerWaalsContact OH-CG 3.23Å; Y73-K103 WeakPolarHBondContact OH-CG 3.39Å; H99-K103 WeakPolarHBondContact O-CG 3.44Å; H99-K103 PolarHBondContact O-N 2.89Å; Q100-K103 PolarHBondContact O-N 2.89Å; Y101-K103 PolarHBondContact O-N 2.8Å; K103-T107 WeakPolarHBondContact O-CA 3.07Å; K103-T107 PolarHBondContact O-N 3.44Å; K103-M108 PolarHBondContact O-N 2.83Å; K103-D110 IonicContact NZ-OD1 2.79Å; K103-D110 PolarHBondContact NZ-OD1 2.75Å; K103-H113 HydrophobicContact CD-CB 3.94Å; K103-H113 HydrophobicContact CG-CB 4.06Å
104	E	89.1	Confident	89.9	Confident	83 Å²	83	56.8 Å²	56.8	39%	0.388	30%	0.3	S	S	.	.	H	α-helix	trans	-70	-45.7	179.2	-68.5	173.9	-169.4	0	0	112.2	Q100 Y101 L102 F106 T107 K333	Q100-E104 PolarHBondContact NE2-OE1 2.95Å; Q100-E104 WeakPolarHBondContact O-CG 3.13Å; Q100-E104 PolarHBondContact O-N 2.98Å; Q100-E104 VanDerWaalsContact O-N 3.16Å; Y101-E104 PolarHBondContact O-N 2.85Å; L102-E104 VanDerWaalsContact C-N 3.25Å; L102-E104 PolarHBondContact O-N 2.88Å; E104-F106 PolarHBondContact O-N 2.89Å; E104-T107 PolarHBondContact O-N 3.5Å; E104-K333 IonicContact OE2-NZ 3.52Å; E104-K333 PolarHBondContact OE2-NZ 2.8Å
105	A	89.5	Confident	90.1	Very high	7 Å²	7	54.8 Å²	54.8	6%	0.058	29%	0.293	C	S	.	.	H	α-helix	trans	-66.9	-36.5	-177.4	0	0	0	0	0	112.9	Y101 L102 F326 A329	Y101-A105 HydrophobicContact CE1-CB 4.21Å; Y101-A105 HydrophobicContact CE2-CB 4.47Å; Y101-A105 WeakPolarHBondContact O-CB 3.49Å; Y101-A105 PolarHBondContact O-N 2.87Å; L102-A105 PolarHBondContact O-N 3.09Å; A105-F326 HydrophobicContact CB-CD1 4.14Å; A105-F326 HydrophobicContact CB-CE1 4.27Å; A105-A329 HydrophobicContact CB-CB 3.96Å
106	F	91.4	Very high	90.2	Very high	1 Å²	1	52.7 Å²	52.7	0%	0.004	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	1.5	-180	-76.6	-95.5	0	0	0	113.8	L69 L72 Y73 L76 L102 E104 M108 Q325 F326	L69-F106 HydrophobicContact CB-CD1 4.07Å; L69-F106 HydrophobicContact CD2-CD1 4.09Å; L69-F106 HydrophobicContact CD2-CE1 4.22Å; L72-F106 HydrophobicContact CB-CE1 3.91Å; L72-F106 HydrophobicContact CB-CZ 4.15Å; Y73-F106 HydrophobicContact CD2-CB 3.62Å; Y73-F106 HydrophobicContact CD2-CD1 4.23Å; Y73-F106 AromaticContact CD2-CD2 3.73Å; Y73-F106 HydrophobicContact CD2-CD2 3.73Å; Y73-F106 HydrophobicContact CD2-CE2 4.44Å; Y73-F106 AromaticContact CD2-CG 3.61Å; Y73-F106 HydrophobicContact CD2-CG 3.61Å; Y73-F106 HydrophobicContact CE2-CB 3.99Å; Y73-F106 HydrophobicContact CE2-CD2 4.3Å; Y73-F106 HydrophobicContact CE2-CG 4.32Å; L76-F106 HydrophobicContact CD1-CE2 3.46Å; L76-F106 VanDerWaalsContact CD1-CE2 3.46Å; L76-F106 HydrophobicContact CD1-CZ 3.64Å; L102-F106 HydrophobicContact CD2-CD2 4.32Å; L102-F106 HydrophobicContact CD2-CE2 4.12Å; L102-F106 WeakPolarHBondContact O-CB 3.34Å; L102-F106 PolarHBondContact O-N 2.83Å; E104-F106 PolarHBondContact O-N 2.89Å; F106-M108 VanDerWaalsContact C-N 3.34Å; F106-M108 HydrophobicContact CB-CE 3.92Å; F106-M108 HydrophobicContact CB-CG 3.86Å; F106-M108 PolarHBondContact O-N 2.94Å; F106-Q325 HydrophobicContact CE1-CB 4.24Å; F106-Q325 HydrophobicContact CE1-CG 4.2Å; F106-Q325 HydrophobicContact CZ-CB 4.22Å; F106-F326 HydrophobicContact CD2-CE1 4.46Å; F106-F326 HydrophobicContact CE2-CD1 4.3Å; F106-F326 AromaticContact CE2-CE1 3.69Å; F106-F326 HydrophobicContact CE2-CE1 3.69Å
107	T	88.6	Confident	90.2	Very high	98 Å²	98	49.9 Å²	49.9	60%	0.601	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	48.2	-177.5	62.4	0	0	0	0	112.9	K65 K103 E104	K65-T107 PolarHBondContact NZ-O 2.79Å; K103-T107 WeakPolarHBondContact O-CA 3.07Å; K103-T107 PolarHBondContact O-N 3.44Å; E104-T107 PolarHBondContact O-N 3.5Å
108	M	90.3	Very high	90.2	Very high	14 Å²	14	51.3 Å²	51.3	7%	0.069	27%	0.267	C	S	.	.			trans	-92.9	139.7	-179.9	-63.8	-65.7	171	0	0	110.8	K65 L69 K70 Y73 K103 F106 E112	K65-M108 VanDerWaalsContact CE-SD 3.59Å; L69-M108 HydrophobicContact CB-CE 4.16Å; K70-M108 HydrophobicContact CG-CE 3.92Å; Y73-M108 HydrophobicContact CD1-CG 4.47Å; Y73-M108 HydrophobicContact CD2-CE 4.37Å; Y73-M108 HydrophobicContact CD2-CG 3.91Å; Y73-M108 HydrophobicContact CE1-CG 4.26Å; Y73-M108 HydrophobicContact CE2-CB 4.3Å; Y73-M108 HydrophobicContact CE2-CG 3.67Å; Y73-M108 HydrophobicContact CG-CE 4.27Å; Y73-M108 HydrophobicContact CG-CG 4.29Å; K103-M108 PolarHBondContact O-N 2.83Å; F106-M108 VanDerWaalsContact C-N 3.34Å; F106-M108 HydrophobicContact CB-CE 3.92Å; F106-M108 HydrophobicContact CB-CG 3.86Å; F106-M108 PolarHBondContact O-N 2.94Å; M108-E112 HydrophobicContact SD-CB 4.46Å
109	T	90.5	Very high	90	Very high	71 Å²	71	57.4 Å²	57.4	44%	0.436	29%	0.293	S	S	.	.			trans	-77.7	161.9	170.8	67	0	0	0	0	110.7	E111 E112 H113	T109-E111 VanDerWaalsContact C-N 3.26Å; T109-E111 PolarHBondContact O-N 3.08Å; T109-E112 PolarHBondContact N-OE2 3.31Å; T109-E112 PolarHBondContact O-N 3.11Å; T109-E112 WeakPolarHBondContact OG1-CG 3.44Å; T109-E112 PolarHBondContact OG1-N 2.89Å; T109-H113 PolarHBondContact O-N 3.41Å
110	D	89.7	Confident	89.8	Confident	98 Å²	98	55.8 Å²	55.8	52%	0.524	29%	0.286	S	S	.	.	H	α-helix	trans	-61.9	-35.1	177.1	-69.3	-42.1	0	0	0	112	K103 H113 N114	K103-D110 IonicContact NZ-OD1 2.79Å; K103-D110 PolarHBondContact NZ-OD1 2.75Å; D110-H113 PolarHBondContact O-N 2.86Å; D110-N114 WeakPolarHBondContact O-CB 3.41Å; D110-N114 PolarHBondContact O-N 3.24Å; D110-N114 PolarHBondContact O-ND2 2.91Å; D110-N114 VanDerWaalsContact O-ND2 3.15Å
111	E	89.2	Confident	89.6	Confident	170 Å²	170	58.1 Å²	58.1	79%	0.794	30%	0.296	S	S	*	.	H	α-helix	trans	-63.1	-46	174	-66.2	174.6	-177.4	0	0	112	T109 G115	T109-E111 VanDerWaalsContact C-N 3.26Å; T109-E111 PolarHBondContact O-N 3.08Å; E111-G115 PolarHBondContact O-N 2.83Å
112	E	88.9	Confident	89.2	Confident	44 Å²	44	63.1 Å²	63.1	21%	0.206	33%	0.325	C	S	.	.	H	α-helix	trans	-64.4	-43.2	177	-73	-177.5	127.3	0	0	111.4	K65 K70 M108 T109 L116	K65-E112 WeakPolarHBondContact CE-OE2 3.29Å; K65-E112 IonicContact NZ-OE1 2.94Å; K65-E112 IonicContact NZ-OE2 3.9Å; K65-E112 PolarHBondContact NZ-OE2 3.32Å; K70-E112 VanDerWaalsContact CE-OE1 3.25Å; K70-E112 WeakPolarHBondContact CE-OE1 3.16Å; K70-E112 IonicContact NZ-OE1 3.87Å; K70-E112 PolarHBondContact NZ-OE1 3.31Å; M108-E112 HydrophobicContact SD-CB 4.46Å; T109-E112 PolarHBondContact N-OE2 3.31Å; T109-E112 PolarHBondContact O-N 3.11Å; T109-E112 WeakPolarHBondContact OG1-CG 3.44Å; T109-E112 PolarHBondContact OG1-N 2.89Å; E112-L116 WeakPolarHBondContact O-CB 3.21Å; E112-L116 VanDerWaalsContact O-CG 3.23Å; E112-L116 WeakPolarHBondContact O-CG 3.33Å; E112-L116 PolarHBondContact O-N 3.04Å
113	H	91.6	Very high	88.9	Confident	17 Å²	17	64.3 Å²	64.3	8%	0.079	33%	0.332	C	S	.	.	H	α-helix	trans	-62	-49.3	177.6	171.7	62.7	0	0	0	111.6	Y73 K103 T109 D110 G115 L116 M117	Y73-H113 AromaticContact CE1-ND1 3.76Å; Y73-H113 AromaticContact CZ-ND1 3.77Å; Y73-H113 PolarHBondContact OH-ND1 3.17Å; K103-H113 HydrophobicContact CD-CB 3.94Å; K103-H113 HydrophobicContact CG-CB 4.06Å; T109-H113 PolarHBondContact O-N 3.41Å; D110-H113 PolarHBondContact O-N 2.86Å; H113-G115 PolarHBondContact O-N 3.42Å; H113-L116 PolarHBondContact O-N 2.78Å; H113-M117 VanDerWaalsContact O-CB 3.27Å; H113-M117 WeakPolarHBondContact O-CB 3.49Å; H113-M117 PolarHBondContact O-N 2.9Å
114	N	90.1	Very high	88.5	Confident	102 Å²	102	69.7 Å²	69.7	55%	0.545	36%	0.358	S	S	.	.	H	α-helix	trans	-61.6	-44.2	-179.5	-68.6	-21.8	0	0	0	111.3	D110 L116 M117 E118	D110-N114 WeakPolarHBondContact O-CB 3.41Å; D110-N114 PolarHBondContact O-N 3.24Å; D110-N114 PolarHBondContact O-ND2 2.91Å; D110-N114 VanDerWaalsContact O-ND2 3.15Å; N114-L116 PolarHBondContact O-N 2.83Å; N114-M117 PolarHBondContact O-N 3.01Å; N114-E118 WeakPolarHBondContact O-CB 3.25Å; N114-E118 PolarHBondContact O-N 3.33Å
115	G	90.3	Very high	88.2	Confident	29 Å²	29	70 Å²	70	30%	0.299	37%	0.367	S	S	.	.	H	α-helix	trans	-67.9	-30.7	178.2	0	0	0	0	0	114.1	E111 H113 K119	E111-G115 PolarHBondContact O-N 2.83Å; H113-G115 PolarHBondContact O-N 3.42Å; G115-K119 WeakPolarHBondContact O-CG 3.32Å; G115-K119 PolarHBondContact O-N 3.12Å
116	L	89.6	Confident	88.2	Confident	14 Å²	14	70 Å²	70	7%	0.073	37%	0.366	C	S	.	.	H	α-helix	trans	-78.7	-35.3	173.1	-68	175.9	0	0	0	112	K70 Y73 K74 L77 E112 H113 N114 K119 V120	K70-L116 HydrophobicContact CD-CD1 4.5Å; K70-L116 HydrophobicContact CG-CD1 4.16Å; Y73-L116 HydrophobicContact CD1-CB 4.44Å; Y73-L116 HydrophobicContact CD1-CD1 3.67Å; Y73-L116 HydrophobicContact CE1-CD1 4.24Å; K74-L116 HydrophobicContact CD-CD2 4.02Å; K74-L116 HydrophobicContact CG-CB 4.48Å; K74-L116 HydrophobicContact CG-CD2 3.91Å; L77-L116 HydrophobicContact CD1-CB 4.16Å; E112-L116 WeakPolarHBondContact O-CB 3.21Å; E112-L116 VanDerWaalsContact O-CG 3.23Å; E112-L116 WeakPolarHBondContact O-CG 3.33Å; E112-L116 PolarHBondContact O-N 3.04Å; H113-L116 PolarHBondContact O-N 2.78Å; N114-L116 PolarHBondContact O-N 2.83Å; L116-K119 HydrophobicContact CD2-CD 4.47Å; L116-K119 WeakPolarHBondContact O-CB 3.48Å; L116-K119 PolarHBondContact O-N 2.82Å; L116-V120 WeakPolarHBondContact O-CG2 3.14Å; L116-V120 PolarHBondContact O-N 3.38Å
117	M	89.3	Confident	87.9	Confident	25 Å²	25	73.1 Å²	73.1	12%	0.123	38%	0.382	C	S	.	.	H	α-helix	trans	-64.5	-43.7	176.2	-169.1	68.8	-160.1	0	0	111.2	L77 H113 N114 K119 V120 Q121	L77-M117 HydrophobicContact CB-SD 4.25Å; L77-M117 HydrophobicContact CD1-CB 4.34Å; L77-M117 HydrophobicContact CD1-SD 4.08Å; L77-M117 HydrophobicContact CD2-SD 4.01Å; L77-M117 HydrophobicContact CG-SD 4.35Å; H113-M117 VanDerWaalsContact O-CB 3.27Å; H113-M117 WeakPolarHBondContact O-CB 3.49Å; H113-M117 PolarHBondContact O-N 2.9Å; N114-M117 PolarHBondContact O-N 3.01Å; M117-K119 VanDerWaalsContact C-N 3.3Å; M117-K119 PolarHBondContact O-N 3.04Å; M117-V120 PolarHBondContact O-N 2.95Å; M117-V120 VanDerWaalsContact O-N 3.17Å; M117-Q121 HydrophobicContact CE-CG 4.04Å; M117-Q121 HydrophobicContact CG-CG 4.5Å; M117-Q121 WeakPolarHBondContact O-CG 3.44Å; M117-Q121 PolarHBondContact O-N 2.77Å
118	E	88.4	Confident	87.9	Confident	121 Å²	121	71 Å²	71	57%	0.565	36%	0.363	S	S	*	.	H	α-helix	trans	-59.2	-41.9	174.6	-175.6	-179.7	-168.9	0	0	111.3	N114 V120 Q121 N122	N114-E118 WeakPolarHBondContact O-CB 3.25Å; N114-E118 PolarHBondContact O-N 3.33Å; E118-V120 PolarHBondContact O-N 2.86Å; E118-Q121 PolarHBondContact O-N 2.78Å; E118-N122 WeakPolarHBondContact O-CB 3.36Å; E118-N122 VanDerWaalsContact O-CG 3.26Å; E118-N122 PolarHBondContact O-N 2.83Å; E118-N122 VanDerWaalsContact O-N 3.1Å; E118-N122 PolarHBondContact O-ND2 3.17Å
119	K	85.8	Confident	87.9	Confident	131 Å²	131	70.3 Å²	70.3	57%	0.57	36%	0.36	S	S	*	.	H	α-helix	trans	-61.8	-42.6	175.4	-73.2	174.5	-175.5	179.2	0	112.2	G115 L116 M117 N122 T123	G115-K119 WeakPolarHBondContact O-CG 3.32Å; G115-K119 PolarHBondContact O-N 3.12Å; L116-K119 HydrophobicContact CD2-CD 4.47Å; L116-K119 WeakPolarHBondContact O-CB 3.48Å; L116-K119 PolarHBondContact O-N 2.82Å; M117-K119 VanDerWaalsContact C-N 3.3Å; M117-K119 PolarHBondContact O-N 3.04Å; K119-N122 PolarHBondContact O-N 3.1Å; K119-T123 WeakPolarHBondContact O-CG2 3.48Å; K119-T123 PolarHBondContact O-N 3.28Å
120	V	87.6	Confident	88	Confident	2 Å²	2	66.9 Å²	66.9	1%	0.012	34%	0.339	C	S	.	.	H	α-helix	trans	-67.9	-41.3	178.2	168.6	0	0	0	0	111.4	K74 L77 Y78 L116 M117 E118 N122 T123 L309	K74-V120 HydrophobicContact CB-CG2 4.22Å; K74-V120 HydrophobicContact CG-CG2 4.42Å; L77-V120 HydrophobicContact CB-CB 4.47Å; L77-V120 HydrophobicContact CB-CG1 4.27Å; L77-V120 HydrophobicContact CB-CG2 4.07Å; Y78-V120 HydrophobicContact CD2-CG1 4.12Å; Y78-V120 HydrophobicContact CG-CG1 4.49Å; L116-V120 WeakPolarHBondContact O-CG2 3.14Å; L116-V120 PolarHBondContact O-N 3.38Å; M117-V120 PolarHBondContact O-N 2.95Å; M117-V120 VanDerWaalsContact O-N 3.17Å; E118-V120 PolarHBondContact O-N 2.86Å; V120-N122 PolarHBondContact O-N 2.8Å; V120-T123 PolarHBondContact O-N 3.14Å; V120-T123 VanDerWaalsContact O-N 3.09Å; V120-T123 PolarHBondContact O-OG1 3.06Å; V120-L309 HydrophobicContact CG2-CD2 4.34Å
121	Q	85.5	Confident	88	Confident	134 Å²	134	63.1 Å²	63.1	63%	0.626	32%	0.319	S	S	*	.	H	α-helix	trans	-63.4	-27.1	176.1	-73.7	176	-14	0	0	113.1	M117 E118	M117-Q121 HydrophobicContact CE-CG 4.04Å; M117-Q121 HydrophobicContact CG-CG 4.5Å; M117-Q121 WeakPolarHBondContact O-CG 3.44Å; M117-Q121 PolarHBondContact O-N 2.77Å; E118-Q121 PolarHBondContact O-N 2.78Å
122	N	84.4	Confident	88.2	Confident	128 Å²	128	55 Å²	55	68%	0.684	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	0.4	176.9	-69.4	-36.8	0	0	0	113.8	E118 K119 V120	E118-N122 WeakPolarHBondContact O-CB 3.36Å; E118-N122 VanDerWaalsContact O-CG 3.26Å; E118-N122 PolarHBondContact O-N 2.83Å; E118-N122 VanDerWaalsContact O-N 3.1Å; E118-N122 PolarHBondContact O-ND2 3.17Å; K119-N122 PolarHBondContact O-N 3.1Å; V120-N122 PolarHBondContact O-N 2.8Å
123	T	85.1	Confident	88.5	Confident	25 Å²	25	53.8 Å²	53.8	15%	0.153	28%	0.276	C	S	.	.	S	Bend	trans	-85.2	157.3	175.4	56.9	0	0	0	0	112.5	Y78 K119 V120 D306 L309	Y78-T123 WeakPolarHBondContact CD2-OG1 3.41Å; Y78-T123 WeakPolarHBondContact CE2-OG1 3.32Å; K119-T123 WeakPolarHBondContact O-CG2 3.48Å; K119-T123 PolarHBondContact O-N 3.28Å; V120-T123 PolarHBondContact O-N 3.14Å; V120-T123 VanDerWaalsContact O-N 3.09Å; V120-T123 PolarHBondContact O-OG1 3.06Å; T123-D306 WeakPolarHBondContact CG2-OD2 3.44Å; T123-L309 HydrophobicContact CG2-CD1 3.92Å; T123-L309 HydrophobicContact CG2-CD2 3.74Å; T123-L309 HydrophobicContact CG2-CG 3.94Å
124	E	83.4	Confident	88.6	Confident	150 Å²	150	53 Å²	53	70%	0.701	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-66.1	134.9	179.7	-68.1	-175.7	171.8	0	0	111.1	Y78	Y78-E124 PolarHBondContact OH-O 2.56Å
125	P	83.9	Confident	88.8	Confident	89 Å²	89	50.3 Å²	50.3	58%	0.578	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-65.6	149.5	176.7	28.6	-34.3	0	0	0	110.4
126	P	87.8	Confident	89	Confident	6 Å²	6	51 Å²	51	4%	0.039	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-73.5	158.3	179.1	31.4	-31	0	0	0	110.8	Y78 H82 Y128 H302 R305	Y78-P126 HydrophobicContact CE1-CB 4.43Å; Y78-P126 HydrophobicContact CE1-CG 4.22Å; Y78-P126 WeakPolarHBondContact OH-CD 3.36Å; H82-P126 HydrophobicContact CB-CG 3.9Å; H82-P126 VanDerWaalsContact CG-CD 3.47Å; H82-P126 WeakPolarHBondContact ND1-CD 3.29Å; P126-Y128 HydrophobicContact CG-CD1 4.2Å; P126-Y128 HydrophobicContact CG-CE1 3.72Å; P126-Y128 PolarHBondContact O-N 3.08Å; P126-H302 HydrophobicContact CB-CB 3.88Å; P126-R305 HydrophobicContact CB-CG 4.03Å
127	I	86.1	Confident	89.2	Confident	67 Å²	67	50.3 Å²	50.3	34%	0.344	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	114.3	166.9	-56.7	176.6	0	0	0	107.3	E208 K303 A304	I127-E208 HydrophobicContact CG2-CB 4.36Å; I127-E208 HydrophobicContact CG2-CG 3.96Å; I127-K303 HydrophobicContact CB-CB 4.11Å; I127-K303 VanDerWaalsContact CB-O 3.3Å; I127-K303 WeakPolarHBondContact CB-O 3.48Å; I127-K303 HydrophobicContact CG2-CB 4.41Å; I127-K303 PolarHBondContact N-O 3.47Å; I127-K303 PolarHBondContact O-N 3.41Å; I127-A304 HydrophobicContact CD1-CB 3.74Å; I127-A304 HydrophobicContact CG1-CB 4.2Å
128	Y	89.3	Confident	89.4	Confident	53 Å²	53	53 Å²	53	21%	0.208	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	132.8	178.3	-52.6	-70.2	0	0	0	110.5	H82 M84 P126 E208 F209 H302	H82-Y128 HydrophobicContact CB-CE1 4.22Å; H82-Y128 AromaticContact ND1-CZ 4Å; H82-Y128 PolarHBondContact ND1-OH 2.71Å; M84-Y128 HydrophobicContact CE-CD1 4.4Å; M84-Y128 HydrophobicContact CG-CD1 4.06Å; M84-Y128 HydrophobicContact CG-CE1 4.41Å; M84-Y128 HydrophobicContact SD-CD1 3.47Å; M84-Y128 WeakPolarHBondContact SD-CD1 3.34Å; M84-Y128 HydrophobicContact SD-CE1 4.34Å; M84-Y128 HydrophobicContact SD-CG 4.16Å; P126-Y128 HydrophobicContact CG-CD1 4.2Å; P126-Y128 HydrophobicContact CG-CE1 3.72Å; P126-Y128 PolarHBondContact O-N 3.08Å; Y128-E208 WeakPolarHBondContact O-CA 3.2Å; Y128-F209 VanDerWaalsContact CB-CE2 3.43Å; Y128-F209 VanDerWaalsContact CB-CZ 3.47Å; Y128-F209 HydrophobicContact CG-CE2 4.14Å; Y128-F209 HydrophobicContact CG-CZ 4.43Å; Y128-F209 PolarHBondContact O-N 3.32Å; Y128-H302 AromaticContact CD1-CD2 3.74Å; Y128-H302 AromaticContact CD1-NE2 3.54Å; Y128-H302 AromaticContact CE1-NE2 3.61Å
129	C	90.4	Very high	89.5	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	142	-178.9	-63.1	0	0	0	0	111.3	I206 L207 I301	C129-I206 HydrophobicContact CB-CG2 3.7Å; C129-L207 CarbonylContact C-O 3.42Å; C129-L207 VanDerWaalsContact CA-O 3.26Å; C129-L207 WeakPolarHBondContact CA-O 3.13Å; C129-I301 HydrophobicContact CB-CD1 4.42Å; C129-I301 HydrophobicContact CB-CG1 3.69Å; C129-I301 PolarHBondContact N-O 2.64Å; C129-I301 PolarHBondContact O-N 2.93Å
130	L	90.8	Very high	89.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	112.2	165.3	-175.3	71.2	0	0	0	108.4	V132 L207 F209 F217 L268 L298 F300	L130-V132 HydrophobicContact CD2-CG2 3.63Å; L130-V132 HydrophobicContact CG-CG2 3.67Å; L130-L207 PolarHBondContact N-O 2.71Å; L130-L207 WeakPolarHBondContact O-CD1 3.16Å; L130-L207 PolarHBondContact O-N 3.27Å; L130-F209 HydrophobicContact CB-CD1 4.46Å; L130-F209 HydrophobicContact CB-CE1 4.28Å; L130-F217 HydrophobicContact CD2-CB 3.99Å; L130-F217 HydrophobicContact CD2-CD2 3.9Å; L130-F217 HydrophobicContact CD2-CG 3.96Å; L130-L268 HydrophobicContact CD2-CD2 3.79Å; L130-L298 HydrophobicContact CD1-CB 4.36Å; L130-F300 HydrophobicContact CD1-CD1 4Å; L130-F300 HydrophobicContact CD1-CE1 3.88Å; L130-F300 HydrophobicContact CD1-CG 4.45Å; L130-F300 HydrophobicContact CD1-CZ 4.24Å
131	M	91.7	Very high	89.6	Confident	18 Å²	18	50.3 Å²	50.3	9%	0.089	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	120.7	169.6	-175.1	168.3	63.4	0	0	109.1	T204 F205 I206 F297 L298 Q299 I301 D360	M131-T204 HydrophobicContact CG-CG2 3.45Å; M131-T204 VanDerWaalsContact CG-CG2 3.45Å; M131-T204 HydrophobicContact SD-CG2 3.78Å; M131-F205 CarbonylContact C-O 3.46Å; M131-F205 WeakPolarHBondContact CA-O 3.4Å; M131-I206 HydrophobicContact CG-CG1 4.43Å; M131-F297 HydrophobicContact CE-CE1 4.38Å; M131-L298 CarbonylContact O-C 3.56Å; M131-L298 WeakPolarHBondContact O-CA 3.39Å; M131-Q299 HydrophobicContact CB-CB 4.42Å; M131-Q299 WeakPolarHBondContact CB-O 3.41Å; M131-Q299 HydrophobicContact CE-CB 4.03Å; M131-Q299 HydrophobicContact CE-CG 4.26Å; M131-Q299 PolarHBondContact N-O 2.81Å; M131-Q299 PolarHBondContact O-N 2.78Å; M131-I301 HydrophobicContact CB-CD1 4.07Å; M131-I301 HydrophobicContact CB-CG1 4.39Å; M131-I301 HydrophobicContact CB-CG2 4.34Å; M131-I301 HydrophobicContact CE-CG2 4.29Å; M131-I301 HydrophobicContact SD-CD1 4.41Å; M131-D360 WeakPolarHBondContact CE-OD1 3.45Å
132	V	93.1	Very high	89.7	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	117	-176.6	-178.9	0	0	0	0	109.4	L130 V134 L155 T204 F205 L207 F217 F297 L298	L130-V132 HydrophobicContact CD2-CG2 3.63Å; L130-V132 HydrophobicContact CG-CG2 3.67Å; V132-V134 HydrophobicContact CG1-CG2 4.46Å; V132-L155 HydrophobicContact CB-CD2 4Å; V132-L155 HydrophobicContact CG1-CD2 3.57Å; V132-T204 CarbonylContact O-C 3.51Å; V132-T204 WeakPolarHBondContact O-CA 3.44Å; V132-F205 PolarHBondContact N-O 2.8Å; V132-F205 PolarHBondContact O-N 3.12Å; V132-L207 HydrophobicContact CB-CD1 3.93Å; V132-L207 HydrophobicContact CG2-CD1 3.51Å; V132-F217 HydrophobicContact CB-CE2 4.45Å; V132-F217 HydrophobicContact CB-CZ 4.48Å; V132-F217 HydrophobicContact CG1-CE2 4.25Å; V132-F217 HydrophobicContact CG1-CZ 3.8Å; V132-F217 HydrophobicContact CG2-CD2 4.27Å; V132-F217 HydrophobicContact CG2-CE2 3.79Å; V132-F217 HydrophobicContact CG2-CZ 4.1Å; V132-F297 CarbonylContact C-O 3.5Å; V132-F297 WeakPolarHBondContact CA-O 3.43Å; V132-L298 HydrophobicContact CB-CD2 4.07Å; V132-L298 HydrophobicContact CG1-CD2 3.67Å; V132-L298 HydrophobicContact CG2-CD2 3.64Å
133	T	94	Very high	89.6	Confident	18 Å²	18	40.1 Å²	40.1	11%	0.11	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	113.6	170.2	-53.5	0	0	0	0	109.9	K135 Q203 T204 F297	T133-K135 HydrophobicContact CG2-CG 4.18Å; T133-K135 PolarHBondContact O-N 2.88Å; T133-Q203 CarbonylContact C-O 3.57Å; T133-Q203 VanDerWaalsContact CA-O 3.27Å; T133-Q203 WeakPolarHBondContact CA-O 3.24Å; T133-T204 WeakPolarHBondContact CG2-OG1 3.5Å; T133-T204 WeakPolarHBondContact OG1-CG2 3.17Å; T133-T204 PolarHBondContact OG1-OG1 2.78Å; T133-F297 PolarHBondContact N-O 3.25Å; T133-F297 PolarHBondContact O-N 2.92Å
134	V	94.6	Very high	89.3	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	104.6	171.4	-172.4	0	0	0	0	107.2	V132 L155 T190 W201 N202 Q203 F205 L219 L296	V132-V134 HydrophobicContact CG1-CG2 4.46Å; V134-L155 HydrophobicContact CG2-CD1 4.2Å; V134-L155 HydrophobicContact CG2-CD2 3.85Å; V134-L155 HydrophobicContact CG2-CG 4.44Å; V134-T190 HydrophobicContact CB-CG2 4.24Å; V134-T190 HydrophobicContact CG1-CG2 4.44Å; V134-T190 HydrophobicContact CG2-CG2 4.14Å; V134-W201 HydrophobicContact CG1-CD2 4.2Å; V134-W201 HydrophobicContact CG1-CE3 3.68Å; V134-W201 HydrophobicContact CG1-CZ3 4.14Å; V134-W201 WeakPolarHBondContact O-CB 3.48Å; V134-N202 WeakPolarHBondContact O-CA 3.34Å; V134-N202 PolarHBondContact O-N 2.83Å; V134-Q203 PolarHBondContact N-O 2.81Å; V134-Q203 PolarHBondContact O-N 3.31Å; V134-Q203 VanDerWaalsContact O-N 3.12Å; V134-F205 HydrophobicContact CG2-CE2 4.35Å; V134-L219 HydrophobicContact CG2-CD1 4Å; V134-L296 HydrophobicContact CB-CD2 4.26Å; V134-L296 HydrophobicContact CG1-CD2 4.13Å; V134-L296 HydrophobicContact CG2-CD2 3.99Å
135	K	93.4	Very high	88.8	Confident	47 Å²	47	37.7 Å²	37.7	20%	0.204	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-68.6	-175.7	-72.5	-178.2	172	174.7	0	110.9	T133 W201 N202 D276 H295 F297	T133-K135 HydrophobicContact CG2-CG 4.18Å; T133-K135 PolarHBondContact O-N 2.88Å; K135-W201 PolarHBondContact O-N 3.06Å; K135-N202 PolarHBondContact O-N 2.78Å; K135-N202 VanDerWaalsContact O-N 3.09Å; K135-D276 IonicContact NZ-OD1 3.66Å; K135-D276 PolarHBondContact NZ-OD1 3.07Å; K135-D276 IonicContact NZ-OD2 3.13Å; K135-D276 PolarHBondContact NZ-OD2 2.73Å; K135-H295 HydrophobicContact CB-CB 4.23Å; K135-H295 PolarHBondContact N-O 3.12Å; K135-F297 HydrophobicContact CD-CB 4.49Å
136	E	94.8	Very high	88.3	Confident	42 Å²	42	36.5 Å²	36.5	20%	0.196	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	164.1	-176.4	53.2	168.6	176.4	0	0	111.4	K138 P199 I200 W278 C294 H295	E136-K138 IonicContact OE1-NZ 3.44Å; E136-K138 PolarHBondContact OE1-NZ 2.6Å; E136-K138 VanDerWaalsContact OE2-CE 3.25Å; E136-K138 WeakPolarHBondContact OE2-CE 3.27Å; E136-K138 IonicContact OE2-NZ 2.63Å; E136-K138 PolarHBondContact OE2-NZ 2.76Å; E136-P199 CarbonylContact C-O 3.51Å; E136-P199 WeakPolarHBondContact CA-O 3.45Å; E136-P199 VanDerWaalsContact CB-O 3.32Å; E136-P199 WeakPolarHBondContact CB-O 3.32Å; E136-I200 HydrophobicContact CB-CB 4.43Å; E136-I200 HydrophobicContact CB-CG1 3.99Å; E136-W278 HydrophobicContact CG-CH2 3.59Å; E136-W278 HydrophobicContact CG-CZ2 3.96Å; E136-W278 WeakPolarHBondContact OE1-CH2 3.39Å; E136-W278 WeakPolarHBondContact OE1-CZ2 3.14Å; E136-C294 PolarHBondContact O-SG 2.66Å; E136-H295 HydrophobicContact CG-CB 3.92Å; E136-H295 WeakPolarHBondContact O-CB 3.47Å; E136-H295 PolarHBondContact O-N 3.23Å
137	A	94.6	Very high	87.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	156.3	164.2	0	0	0	0	0	109.9	I140 N198 P199 W201 M221 Q293 C294	A137-I140 HydrophobicContact CB-CG2 3.79Å; A137-N198 CarbonylContact O-C 3.55Å; A137-N198 WeakPolarHBondContact O-CA 3.23Å; A137-P199 HydrophobicContact CB-CG 3.86Å; A137-P199 PolarHBondContact N-O 3.39Å; A137-P199 WeakPolarHBondContact O-CD 3.45Å; A137-W201 HydrophobicContact CB-CH2 4.14Å; A137-W201 HydrophobicContact CB-CZ3 3.77Å; A137-M221 HydrophobicContact CB-CE 3.66Å; A137-M221 HydrophobicContact CB-SD 4.43Å; A137-Q293 CarbonylContact C-O 3.59Å; A137-Q293 WeakPolarHBondContact CA-O 3.33Å; A137-Q293 VanDerWaalsContact CB-O 3.29Å; A137-Q293 WeakPolarHBondContact CB-O 3.49Å; A137-C294 HydrophobicContact CB-CB 4.23Å
138	K	93.2	Very high	87.8	Confident	83 Å²	83	39.3 Å²	39.3	36%	0.361	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	145.7	-179.8	-74.8	177.3	-175.9	145.3	0	111.2	E136 I140 N198 W278 G292 Q293	E136-K138 IonicContact OE1-NZ 3.44Å; E136-K138 PolarHBondContact OE1-NZ 2.6Å; E136-K138 VanDerWaalsContact OE2-CE 3.25Å; E136-K138 WeakPolarHBondContact OE2-CE 3.27Å; E136-K138 IonicContact OE2-NZ 2.63Å; E136-K138 PolarHBondContact OE2-NZ 2.76Å; K138-I140 PolarHBondContact O-N 3.2Å; K138-N198 VanDerWaalsContact CA-OD1 3.26Å; K138-N198 WeakPolarHBondContact CA-OD1 3.47Å; K138-W278 HydrophobicContact CB-CH2 4.2Å; K138-W278 HydrophobicContact CB-CZ3 4.02Å; K138-W278 HydrophobicContact CD-CH2 3.43Å; K138-W278 VanDerWaalsContact CD-CH2 3.43Å; K138-W278 HydrophobicContact CD-CZ2 4Å; K138-W278 HydrophobicContact CD-CZ3 4.07Å; K138-W278 HydrophobicContact CG-CH2 3.64Å; K138-W278 HydrophobicContact CG-CZ3 3.98Å; K138-W278 VanDerWaalsContact NZ-CZ2 3.29Å; K138-G292 VanDerWaalsContact O-CA 3.25Å; K138-G292 WeakPolarHBondContact O-CA 3.31Å; K138-Q293 PolarHBondContact N-O 3.02Å; K138-Q293 PolarHBondContact O-N 3.29Å
139	E	89.5	Confident	87.7	Confident	144 Å²	144	36.8 Å²	36.8	67%	0.673	20%	0.198	S	C	*	.	S	Bend	trans	55.4	36.1	174.7	-56.3	180	175.7	0	0	113.3	L197 N198 G292	E139-L197 PolarHBondContact N-O 2.83Å; E139-N198 PolarHBondContact N-OD1 3.06Å; E139-G292 VanDerWaalsContact O-CA 3.23Å; E139-G292 WeakPolarHBondContact O-CA 3.39Å; E139-G292 PolarHBondContact O-N 3.46Å
140	I	90.6	Very high	87.7	Confident	5 Å²	5	37.1 Å²	37.1	3%	0.026	20%	0.2	C	C	.	.			trans	-70.5	160.3	176.6	75	-173.8	0	0	0	110.3	A137 K138 G142 P151 L197 P199 M221 L261 L281	A137-I140 HydrophobicContact CB-CG2 3.79Å; K138-I140 PolarHBondContact O-N 3.2Å; I140-G142 PolarHBondContact O-N 3.33Å; I140-P151 HydrophobicContact CD1-CB 3.63Å; I140-P151 HydrophobicContact CD1-CG 3.55Å; I140-L197 HydrophobicContact CG1-CB 4.25Å; I140-L197 HydrophobicContact CG1-CD2 4.14Å; I140-L197 WeakPolarHBondContact CG1-O 3.09Å; I140-L197 PolarHBondContact N-O 3.12Å; I140-L197 WeakPolarHBondContact O-CD2 3.33Å; I140-P199 HydrophobicContact CD1-CG 4.11Å; I140-M221 HydrophobicContact CD1-SD 4.37Å; I140-M221 HydrophobicContact CG2-SD 3.89Å; I140-L261 HydrophobicContact CD1-CD1 4.21Å; I140-L281 HydrophobicContact CG2-CD1 4.01Å
141	L	86.3	Confident	87.8	Confident	47 Å²	47	37.1 Å²	37.1	25%	0.246	20%	0.2	C	C	.	.			trans	-77.1	123.2	-174.5	-174.2	71.7	0	0	0	111.8	K143 S149 L261	L141-K143 HydrophobicContact CD2-CD 4.3Å; L141-K143 PolarHBondContact O-N 3.26Å; L141-S149 PolarHBondContact O-OG 3.43Å; L141-S149 VanDerWaalsContact O-OG 3.1Å; L141-L261 HydrophobicContact CB-CD2 4.48Å; L141-L261 VanDerWaalsContact O-CD2 3.24Å; L141-L261 WeakPolarHBondContact O-CD2 3.4Å
142	G	85.9	Confident	87.8	Confident	14 Å²	14	37.2 Å²	37.2	14%	0.144	20%	0.2	C	C	.	.			trans	-68.7	112.6	172.8	0	0	0	0	0	113.4	I140 G147 F148 R246	I140-G142 PolarHBondContact O-N 3.33Å; G142-G147 WeakPolarHBondContact CA-O 3.48Å; G142-F148 CarbonylContact C-O 3.47Å; G142-F148 WeakPolarHBondContact CA-O 3.27Å; G142-R246 PolarHBondContact O-NH2 3.42Å
143	K	83.5	Confident	87.8	Confident	34 Å²	34	37.2 Å²	37.2	15%	0.148	20%	0.2	C	C	.	.			trans	-97.8	-34.7	-175.7	-72.9	-67.2	-163.4	154	0	113.3	L141 F148 S149 D223 R246 D259 F260 L261	L141-K143 HydrophobicContact CD2-CD 4.3Å; L141-K143 PolarHBondContact O-N 3.26Å; K143-F148 PolarHBondContact N-O 2.81Å; K143-S149 WeakPolarHBondContact CB-OG 3.41Å; K143-S149 PolarHBondContact N-OG 3.24Å; K143-D223 HydrophobicContact CB-CB 4.22Å; K143-D223 WeakPolarHBondContact CB-OD2 3.38Å; K143-D223 HydrophobicContact CG-CB 4.19Å; K143-R246 PolarHBondContact O-NH2 3.27Å; K143-D259 HydrophobicContact CB-CB 4.3Å; K143-D259 HydrophobicContact CD-CB 4.11Å; K143-D259 HydrophobicContact CG-CB 4.03Å; K143-D259 IonicContact NZ-OD1 3.74Å; K143-F260 WeakPolarHBondContact CE-O 3.47Å; K143-F260 PolarHBondContact NZ-O 3.06Å; K143-L261 HydrophobicContact CD-CD2 4.42Å; K143-L261 HydrophobicContact CG-CD2 3.48Å; K143-L261 VanDerWaalsContact CG-CD2 3.48Å
144	D	78.8	Confident	87.7	Confident	30 Å²	30	38.1 Å²	38.1	16%	0.16	20%	0.204	C	C	.	.	S	Bend	trans	-64.6	161.1	179.1	-64.8	-37.9	0	0	0	112.9	S146 G147 F148 S149	D144-S146 WeakPolarHBondContact CB-OG 3.26Å; D144-S146 PolarHBondContact O-N 2.94Å; D144-G147 PolarHBondContact O-N 3.31Å; D144-F148 WeakPolarHBondContact CB-O 3.37Å; D144-F148 PolarHBondContact N-O 2.96Å; D144-S149 WeakPolarHBondContact OD2-CA 3.49Å
145	V	72.2	Confident	87.6	Confident	95 Å²	95	38.1 Å²	38.1	58%	0.576	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.3	170.1	-103.6	0	0	0	0	112.9	G147	V145-G147 PolarHBondContact O-N 2.85Å
146	S	74	Confident	87.4	Confident	63 Å²	63	36.9 Å²	36.9	44%	0.441	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-15.2	175.7	66	0	0	0	0	113.3	D144 F148	D144-S146 WeakPolarHBondContact CB-OG 3.26Å; D144-S146 PolarHBondContact O-N 2.94Å; S146-F148 VanDerWaalsContact C-N 3.28Å; S146-F148 PolarHBondContact OG-N 3.31Å
147	G	77.3	Confident	87	Confident	36 Å²	36	36 Å²	36	37%	0.371	20%	0.197	S	C	.	.	S	Bend	trans	82.7	1.8	-169.6	0	0	0	0	0	114.1	G142 D144 V145	G142-G147 WeakPolarHBondContact CA-O 3.48Å; D144-G147 PolarHBondContact O-N 3.31Å; V145-G147 PolarHBondContact O-N 2.85Å
148	F	84.9	Confident	86.5	Confident	96 Å²	96	38.3 Å²	38.3	42%	0.421	21%	0.209	S	C	.	.			trans	-100.8	-170.8	171.7	-65.4	-83.9	0	0	0	111.3	G142 K143 D144 S146 Q195 L197	G142-F148 CarbonylContact C-O 3.47Å; G142-F148 WeakPolarHBondContact CA-O 3.27Å; K143-F148 PolarHBondContact N-O 2.81Å; D144-F148 WeakPolarHBondContact CB-O 3.37Å; D144-F148 PolarHBondContact N-O 2.96Å; S146-F148 VanDerWaalsContact C-N 3.28Å; S146-F148 PolarHBondContact OG-N 3.31Å; F148-Q195 HydrophobicContact CB-CB 4.26Å; F148-L197 HydrophobicContact CD1-CG 4.05Å
149	S	88.6	Confident	85.8	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.211	C	C	.	.			trans	-144.3	158.5	173.5	-90.2	0	0	0	0	110	L141 K143 D144 P151 Q195 T196 D223	L141-S149 PolarHBondContact O-OG 3.43Å; L141-S149 VanDerWaalsContact O-OG 3.1Å; K143-S149 WeakPolarHBondContact CB-OG 3.41Å; K143-S149 PolarHBondContact N-OG 3.24Å; D144-S149 WeakPolarHBondContact OD2-CA 3.49Å; S149-P151 WeakPolarHBondContact O-CD 3.41Å; S149-Q195 CarbonylContact O-C 3.59Å; S149-Q195 WeakPolarHBondContact O-CA 3.3Å; S149-Q195 PolarHBondContact O-N 3.09Å; S149-T196 PolarHBondContact O-N 3.21Å; S149-D223 WeakPolarHBondContact CA-OD1 3.36Å; S149-D223 WeakPolarHBondContact CB-OD1 3.42Å; S149-D223 PolarHBondContact OG-OD1 3.28Å
150	D	89.5	Confident	84.7	Confident	7 Å²	7	38.1 Å²	38.1	4%	0.037	21%	0.209	C	C	.	.			trans	-105.8	65.9	170.5	-76.8	4.4	0	0	0	110.4	I192 K193 K194 Q195 D223 K224	D150-I192 HydrophobicContact CB-CG2 4.08Å; D150-K193 CarbonylContact C-O 3.54Å; D150-K193 VanDerWaalsContact CA-O 3.29Å; D150-K193 WeakPolarHBondContact CA-O 3.45Å; D150-K194 WeakPolarHBondContact OD1-CA 3.3Å; D150-Q195 PolarHBondContact OD1-N 3.1Å; D150-D223 PolarHBondContact N-OD1 3.3Å; D150-K224 HydrophobicContact CB-CB 4.27Å; D150-K224 PolarHBondContact O-N 3.06Å
151	P	92.5	Very high	83	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	142.2	-171.1	29.6	-41.3	0	0	0	114.2	I140 S149 K193 T196 P199 W201 M221 W222 L261	I140-P151 HydrophobicContact CD1-CB 3.63Å; I140-P151 HydrophobicContact CD1-CG 3.55Å; S149-P151 WeakPolarHBondContact O-CD 3.41Å; P151-K193 WeakPolarHBondContact CD-O 3.48Å; P151-K193 PolarHBondContact O-N 2.88Å; P151-K193 VanDerWaalsContact O-N 3.07Å; P151-T196 HydrophobicContact CG-CG2 4.22Å; P151-P199 HydrophobicContact CB-CG 4.24Å; P151-P199 HydrophobicContact CG-CB 3.68Å; P151-P199 HydrophobicContact CG-CG 3.58Å; P151-W201 HydrophobicContact CB-CH2 4.27Å; P151-W201 HydrophobicContact CB-CZ2 3.98Å; P151-W201 HydrophobicContact CG-CZ2 4.19Å; P151-M221 HydrophobicContact CB-CG 4.42Å; P151-M221 HydrophobicContact CB-SD 4.39Å; P151-W222 CarbonylContact C-O 3.59Å; P151-W222 VanDerWaalsContact CA-O 3.26Å; P151-W222 WeakPolarHBondContact CA-O 3.15Å; P151-L261 HydrophobicContact CB-CD1 3.83Å
152	Y	92.8	Very high	80.9	Confident	21 Å²	21	53.8 Å²	53.8	8%	0.082	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	158	162.3	71.4	-85.7	0	0	0	110.5	L154 Q189 I192 M221 W222 K224 D258	Y152-L154 HydrophobicContact CD2-CD2 4.26Å; Y152-L154 HydrophobicContact CD2-CG 4.38Å; Y152-L154 HydrophobicContact CE2-CD1 4.34Å; Y152-L154 HydrophobicContact CE2-CD2 3.89Å; Y152-L154 HydrophobicContact CE2-CG 3.9Å; Y152-Q189 HydrophobicContact CD2-CG 3.88Å; Y152-Q189 VanDerWaalsContact CD2-NE2 3.31Å; Y152-Q189 HydrophobicContact CE2-CG 4.39Å; Y152-I192 HydrophobicContact CD1-CG1 4.06Å; Y152-I192 HydrophobicContact CG-CG1 4.12Å; Y152-M221 WeakPolarHBondContact O-CA 3.42Å; Y152-W222 HydrophobicContact CD1-CB 4.13Å; Y152-W222 WeakPolarHBondContact CD1-O 3.46Å; Y152-W222 HydrophobicContact CD2-CB 4.46Å; Y152-W222 HydrophobicContact CE1-CB 3.57Å; Y152-W222 HydrophobicContact CE2-CB 3.95Å; Y152-W222 HydrophobicContact CE2-CG 4.41Å; Y152-W222 VanDerWaalsContact CZ-CB 3.48Å; Y152-W222 PolarHBondContact N-O 3Å; Y152-W222 PolarHBondContact O-N 3.41Å; Y152-K224 HydrophobicContact CD1-CB 4.07Å; Y152-K224 HydrophobicContact CE1-CB 4Å; Y152-D258 HydrophobicContact CE1-CB 4.46Å; Y152-D258 VanDerWaalsContact CE1-OD2 3.25Å; Y152-D258 WeakPolarHBondContact CE1-OD2 3.41Å; Y152-D258 VanDerWaalsContact CZ-OD2 3.28Å; Y152-D258 PolarHBondContact OH-OD2 3.1Å
153	C	93.2	Very high	78.8	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	141.9	-179.8	-60.4	0	0	0	0	110.8	L155 Q189 T190 L219 E220	C153-L155 HydrophobicContact CB-CD1 4.31Å; C153-Q189 WeakPolarHBondContact O-CA 3.35Å; C153-T190 HydrophobicContact CB-CG2 3.81Å; C153-T190 PolarHBondContact N-OG1 3.48Å; C153-T190 PolarHBondContact O-N 2.93Å; C153-L219 HydrophobicContact CB-CD1 4.32Å; C153-L219 HydrophobicContact CB-CD2 4.19Å; C153-L219 HydrophobicContact CB-CG 4.18Å; C153-E220 CarbonylContact C-O 3.48Å; C153-E220 VanDerWaalsContact CA-O 3.32Å; C153-E220 WeakPolarHBondContact CA-O 3.37Å
154	L	91.6	Very high	76.5	Confident	36 Å²	36	69.5 Å²	69.5	19%	0.188	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	127.8	166.9	-62.7	179.2	0	0	0	108.6	Y152 I187 Y188 Q189 L219 E220	Y152-L154 HydrophobicContact CD2-CD2 4.26Å; Y152-L154 HydrophobicContact CD2-CG 4.38Å; Y152-L154 HydrophobicContact CE2-CD1 4.34Å; Y152-L154 HydrophobicContact CE2-CD2 3.89Å; Y152-L154 HydrophobicContact CE2-CG 3.9Å; L154-I187 HydrophobicContact CB-CG2 4.34Å; L154-I187 HydrophobicContact CD2-CG2 4.14Å; L154-Y188 CarbonylContact C-O 3.48Å; L154-Y188 VanDerWaalsContact CA-O 3.3Å; L154-Y188 WeakPolarHBondContact CA-O 3.34Å; L154-Q189 HydrophobicContact CD2-CB 3.74Å; L154-Q189 HydrophobicContact CD2-CG 3.83Å; L154-L219 CarbonylContact O-C 3.32Å; L154-L219 WeakPolarHBondContact O-CA 3.03Å; L154-E220 PolarHBondContact N-O 3.23Å; L154-E220 PolarHBondContact O-N 2.62Å
155	L	92.4	Very high	74.8	Confident	0 Å²	0	78 Å²	78	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.3	-179.5	-58.8	83.7	0	0	0	109.6	V132 V134 C153 Y188 T190 F205 L207 F217 H218 L219	V132-L155 HydrophobicContact CB-CD2 4Å; V132-L155 HydrophobicContact CG1-CD2 3.57Å; V134-L155 HydrophobicContact CG2-CD1 4.2Å; V134-L155 HydrophobicContact CG2-CD2 3.85Å; V134-L155 HydrophobicContact CG2-CG 4.44Å; C153-L155 HydrophobicContact CB-CD1 4.31Å; L155-Y188 PolarHBondContact N-O 3.09Å; L155-Y188 PolarHBondContact O-N 3.5Å; L155-T190 HydrophobicContact CD1-CG2 4.12Å; L155-F205 HydrophobicContact CD1-CD2 4.02Å; L155-F205 HydrophobicContact CD1-CE2 3.96Å; L155-F205 HydrophobicContact CD1-CZ 4.49Å; L155-F205 HydrophobicContact CD2-CB 4.48Å; L155-F205 HydrophobicContact CD2-CD2 3.78Å; L155-F205 HydrophobicContact CD2-CE2 4.43Å; L155-F205 HydrophobicContact CD2-CG 4.35Å; L155-L207 HydrophobicContact CB-CD2 4.15Å; L155-F217 HydrophobicContact CB-CE2 4.16Å; L155-F217 HydrophobicContact CB-CZ 4.49Å; L155-F217 HydrophobicContact CD2-CE2 4.09Å; L155-F217 HydrophobicContact CD2-CZ 3.97Å; L155-F217 HydrophobicContact CG-CE2 4.45Å; L155-F217 HydrophobicContact CG-CZ 4.34Å; L155-H218 WeakPolarHBondContact CA-O 3.23Å; L155-L219 HydrophobicContact CD2-CD1 4.49Å; L155-L219 HydrophobicContact CG-CD1 4.24Å; L155-L219 HydrophobicContact CG-CG 4.5Å
156	M	88.8	Confident	72.8	Confident	21 Å²	21	78.7 Å²	78.7	10%	0.103	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	148.9	-177.2	29.4	176	-66.9	0	0	110.9	L158 H218	M156-L158 HydrophobicContact CE-CD1 3.32Å; M156-L158 HydrophobicContact CE-CD2 3.65Å; M156-L158 HydrophobicContact CE-CG 3.44Å; M156-L158 VanDerWaalsContact CE-CG 3.44Å; M156-H218 HydrophobicContact CE-CB 4.14Å; M156-H218 HydrophobicContact CG-CB 3.86Å; M156-H218 PolarHBondContact N-O 3.29Å; M156-H218 PolarHBondContact O-N 2.98Å; M156-H218 HydrophobicContact SD-CB 4.46Å
157	V	86.5	Confident	71	Confident	25 Å²	25	80.9 Å²	80.9	15%	0.152	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	128.8	171.2	174.3	0	0	0	0	108.1	L207 F209 T215 T216 F217	V157-L207 HydrophobicContact CG2-CB 3.59Å; V157-L207 HydrophobicContact CG2-CD2 3.77Å; V157-L207 HydrophobicContact CG2-CG 4.27Å; V157-F209 HydrophobicContact CG1-CB 4.11Å; V157-T215 HydrophobicContact CG1-CG2 3.1Å; V157-T216 WeakPolarHBondContact CA-O 3.45Å; V157-F217 HydrophobicContact CG2-CD2 4.44Å
158	L	84.1	Confident	69.3	Low	48 Å²	48	91.3 Å²	91.3	25%	0.251	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	134.3	-178.9	-69	-178.3	0	0	0	110.8	M156 V182 T215 T216	M156-L158 HydrophobicContact CE-CD1 3.32Å; M156-L158 HydrophobicContact CE-CD2 3.65Å; M156-L158 HydrophobicContact CE-CG 3.44Å; M156-L158 VanDerWaalsContact CE-CG 3.44Å; L158-V182 HydrophobicContact CD2-CG2 4.29Å; L158-T215 WeakPolarHBondContact O-CA 3.44Å; L158-T216 PolarHBondContact N-O 3.45Å; L158-T216 PolarHBondContact O-N 3.02Å; L158-T216 PolarHBondContact O-OG1 3.36Å
159	E	78.1	Confident	66.8	Low	90 Å²	90	91.2 Å²	91.2	42%	0.421	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131.9	172.8	-67	176.2	-177.2	0	0	109.6	E161	E159-E161 PolarHBondContact O-N 2.84Å
160	E	67.9	Low	64.7	Low	133 Å²	133	101.9 Å²	101.9	62%	0.621	50%	0.499	S	S	*	.			trans	-73.8	109.5	172.4	-70	-177.2	174.7	0	0	109.2	E162 S214	E160-E162 PolarHBondContact O-N 3.46Å; E160-S214 PolarHBondContact N-O 2.87Å
161	E	53.3	Low	61.8	Low	187 Å²	187	106 Å²	106	87%	0.874	53%	0.534	S	S	*	.			trans	-68.3	126.3	168	-72.7	-147	168.1	0	0	109.8	E159 E163	E159-E161 PolarHBondContact O-N 2.84Å; E161-E163 PolarHBondContact O-N 3.41Å
162	E	42.8	Very low	58.8	Low	193 Å²	193	115 Å²	115	90%	0.902	57%	0.573	S	S	*	*			trans	-61.4	99.7	174.8	-76.3	-154	151.2	0	0	111	E160 K164	E160-E162 PolarHBondContact O-N 3.46Å; E162-K164 PolarHBondContact O-N 3.36Å; E162-K164 VanDerWaalsContact O-N 3.11Å
163	E	41.8	Very low	55.8	Low	174 Å²	174	120.4 Å²	120.4	81%	0.813	61%	0.611	S	S	*	*			trans	-62.6	113.3	167.4	-82.1	-168.8	160	0	0	110.2	E161 K165	E161-E163 PolarHBondContact O-N 3.41Å; E163-K165 PolarHBondContact O-N 3.32Å; E163-K165 VanDerWaalsContact O-N 3.08Å
164	K	36	Very low	52.7	Low	204 Å²	204	124.6 Å²	124.6	89%	0.887	64%	0.64	S	S	*	*			trans	-54.9	114.3	171.2	-77	176	178.4	169.2	0	110.8	E162 S166	E162-K164 PolarHBondContact O-N 3.36Å; E162-K164 VanDerWaalsContact O-N 3.11Å; K164-S166 PolarHBondContact O-N 2.88Å
165	K	42	Very low	49.9	Very low	210 Å²	210	132.3 Å²	132.3	91%	0.913	67%	0.672	S	S	*	*			trans	-30.9	115.5	172.1	-66.4	173	179.5	169.8	0	114.5	E163	E163-K165 PolarHBondContact O-N 3.32Å; E163-K165 VanDerWaalsContact O-N 3.08Å
166	S	31	Very low	47.2	Very low	108 Å²	108	141.3 Å²	141.3	76%	0.755	71%	0.707	S	S	*	*			trans	-149.3	124.6	142.5	68.9	0	0	0	0	113	K164	K164-S166 PolarHBondContact O-N 2.88Å
167	S	35.3	Very low	44.7	Very low	109 Å²	109	145.9 Å²	145.9	76%	0.762	74%	0.736	S	S	*	*			trans	33.5	115.2	159	60.3	0	0	0	0	122.5
168	R	41.4	Very low	42.6	Very low	256 Å²	256	148.5 Å²	148.5	97%	0.966	75%	0.752	S	S	*	*			trans	14	106.7	137.5	-77.5	179.2	170.9	170.2	-2.2	117.9
169	A	33	Very low	40.4	Very low	94 Å²	94	155.3 Å²	155.3	78%	0.777	78%	0.78	S	S	*	*			trans	-162.4	138.3	132.1	0	0	0	0	0	109.5	A171	A169-A171 PolarHBondContact O-N 3.4Å; A169-A171 VanDerWaalsContact O-N 3.1Å
170	K	43.9	Very low	38.4	Very low	223 Å²	223	154.1 Å²	154.1	97%	0.97	79%	0.791	S	S	*	*			trans	-55	112.6	175	-75.4	175.9	172.5	177.7	0	110.1
171	A	28.8	Very low	36.9	Very low	93 Å²	93	154.2 Å²	154.2	77%	0.769	80%	0.801	S	S	*	*			trans	-105.7	130.8	173.7	0	0	0	0	0	110.5	A169	A169-A171 PolarHBondContact O-N 3.4Å; A169-A171 VanDerWaalsContact O-N 3.1Å
172	K	30.6	Very low	36.2	Very low	191 Å²	191	148 Å²	148	83%	0.83	78%	0.776	S	S	*	*			trans	-56.9	149.8	165.9	-69.8	169.9	174.2	175.8	0	109.5	S174	K172-S174 PolarHBondContact O-N 3.12Å
173	P	29.6	Very low	36.1	Very low	134 Å²	134	142.4 Å²	142.4	87%	0.87	76%	0.758	S	S	*	*			trans	-64.8	107.7	177.2	26	-30.8	0	0	0	109.5
174	S	27.6	Very low	36.3	Very low	87 Å²	87	142.7 Å²	142.7	61%	0.608	76%	0.759	S	S	*	*			trans	-73.7	131.3	169.9	48	0	0	0	0	109.4	K172 Y176	K172-S174 PolarHBondContact O-N 3.12Å; S174-Y176 PolarHBondContact O-N 2.94Å; S174-Y176 VanDerWaalsContact O-N 3.07Å
175	K	34	Very low	37	Very low	198 Å²	198	141.2 Å²	141.2	86%	0.861	76%	0.755	S	S	*	*			trans	-56.1	106.6	170.8	-71	173.2	173.9	177.3	0	110	V177	K175-V177 PolarHBondContact O-N 3.04Å
176	Y	35.1	Very low	38.2	Very low	189 Å²	189	136.6 Å²	136.6	74%	0.741	74%	0.735	S	S	*	*			trans	-79.3	98.9	159.6	-81.8	-91.2	0	0	0	108	S174 V178	S174-Y176 PolarHBondContact O-N 2.94Å; S174-Y176 VanDerWaalsContact O-N 3.07Å; Y176-V178 PolarHBondContact O-N 2.79Å
177	V	35.5	Very low	40.6	Very low	117 Å²	117	134.8 Å²	134.8	71%	0.709	72%	0.716	S	S	*	*			trans	-80.8	97.7	158.8	174.5	0	0	0	0	105.4	K175 K179	K175-V177 PolarHBondContact O-N 3.04Å; V177-K179 HydrophobicContact CG1-CB 4.28Å; V177-K179 PolarHBondContact O-N 3.03Å
178	V	42.8	Very low	43.1	Very low	81 Å²	81	133.4 Å²	133.4	49%	0.491	70%	0.695	S	S	.	*			trans	-76.4	79.7	174.8	-174.5	0	0	0	0	108	Y176 V182	Y176-V178 PolarHBondContact O-N 2.79Å; V178-V182 HydrophobicContact CG1-CG2 3.81Å
179	K	37.7	Very low	45.4	Very low	191 Å²	191	126 Å²	126	83%	0.83	67%	0.671	S	S	*	*	S	Bend	trans	-121.3	10.6	164.5	-107.4	-174	178	-177.2	0	112.4	V177	V177-K179 HydrophobicContact CG1-CB 4.28Å; V177-K179 PolarHBondContact O-N 3.03Å
180	G	35.5	Very low	48.3	Very low	65 Å²	65	121.7 Å²	121.7	67%	0.67	64%	0.635	S	S	*	*	S	Bend	trans	-120.7	-19.2	-167.8	0	0	0	0	0	118.3
181	T	36.2	Very low	50.5	Low	135 Å²	135	115.4 Å²	115.4	83%	0.828	61%	0.612	S	S	*	*	S	Bend	trans	-150	39.4	-164	42.7	0	0	0	0	114.8
182	V	39	Very low	53.5	Low	57 Å²	57	113.6 Å²	113.6	35%	0.345	59%	0.589	S	S	.	*			trans	-133.2	127.8	168.1	-171.1	0	0	0	0	107.8	L158 V178 H184	L158-V182 HydrophobicContact CD2-CG2 4.29Å; V178-V182 HydrophobicContact CG1-CG2 3.81Å; V182-H184 PolarHBondContact O-N 3.3Å
183	S	42.3	Very low	56.4	Low	74 Å²	74	107.4 Å²	107.4	52%	0.517	56%	0.562	S	S	.	*			trans	-60.9	135.4	173.1	57.4	0	0	0	0	109	E185	S183-E185 PolarHBondContact O-N 2.91Å
184	H	45.8	Very low	59.3	Low	180 Å²	180	107.4 Å²	107.4	83%	0.833	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-61.1	-1	-179.3	-84	-70.3	0	0	0	114.4	V182	V182-H184 PolarHBondContact O-N 3.3Å
185	E	50.2	Low	62.1	Low	174 Å²	174	109.2 Å²	109.2	81%	0.813	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-84.9	-9.3	-175.9	-71.9	-179.1	154.3	0	0	114.9	S183	S183-E185 PolarHBondContact O-N 2.91Å
186	K	66.1	Low	64.8	Low	113 Å²	113	101.4 Å²	101.4	49%	0.491	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-120.4	21.8	-175.9	-65.5	-171.9	177.8	-174.7	0	115.4
187	I	81.6	Confident	67.4	Low	70 Å²	70	94.5 Å²	94.5	36%	0.359	49%	0.492	S	S	.	.			trans	-109.8	123.6	176.7	-59.1	170.2	0	0	0	109.2	L154	L154-I187 HydrophobicContact CB-CG2 4.34Å; L154-I187 HydrophobicContact CD2-CG2 4.14Å
188	Y	87.6	Confident	70.1	Confident	79 Å²	79	92.7 Å²	92.7	31%	0.31	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	143.5	175.8	-59.4	-93.2	0	0	0	110.3	L154 L155 F205 I206 L207	L154-Y188 CarbonylContact C-O 3.48Å; L154-Y188 VanDerWaalsContact CA-O 3.3Å; L154-Y188 WeakPolarHBondContact CA-O 3.34Å; L155-Y188 PolarHBondContact N-O 3.09Å; L155-Y188 PolarHBondContact O-N 3.5Å; Y188-F205 HydrophobicContact CD1-CB 4.4Å; Y188-F205 AromaticContact CD1-CD1 3.83Å; Y188-F205 HydrophobicContact CD1-CD1 3.83Å; Y188-F205 HydrophobicContact CG-CB 4.33Å; Y188-F205 HydrophobicContact CG-CD1 4.02Å; Y188-F205 HydrophobicContact CG-CG 4.44Å; Y188-I206 PolarHBondContact OH-O 3.43Å; Y188-L207 HydrophobicContact CD2-CD2 3.69Å; Y188-L207 HydrophobicContact CD2-CG 3.9Å; Y188-L207 HydrophobicContact CE2-CB 4.47Å; Y188-L207 HydrophobicContact CE2-CD2 3.94Å; Y188-L207 HydrophobicContact CE2-CG 3.81Å
189	Q	90.6	Very high	72.6	Confident	101 Å²	101	88.9 Å²	88.9	47%	0.472	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137.2	-178.2	179	172.9	-3.8	0	0	110.7	Y152 C153 L154	Y152-Q189 HydrophobicContact CD2-CG 3.88Å; Y152-Q189 VanDerWaalsContact CD2-NE2 3.31Å; Y152-Q189 HydrophobicContact CE2-CG 4.39Å; C153-Q189 WeakPolarHBondContact O-CA 3.35Å; L154-Q189 HydrophobicContact CD2-CB 3.74Å; L154-Q189 HydrophobicContact CD2-CG 3.83Å
190	T	93.1	Very high	75.2	Confident	4 Å²	4	84.3 Å²	84.3	3%	0.025	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-81.3	165.3	171.6	67.2	0	0	0	0	112.8	V134 C153 L155 W201 F205	V134-T190 HydrophobicContact CB-CG2 4.24Å; V134-T190 HydrophobicContact CG1-CG2 4.44Å; V134-T190 HydrophobicContact CG2-CG2 4.14Å; C153-T190 HydrophobicContact CB-CG2 3.81Å; C153-T190 PolarHBondContact N-OG1 3.48Å; C153-T190 PolarHBondContact O-N 2.93Å; L155-T190 HydrophobicContact CD1-CG2 4.12Å; T190-W201 PolarHBondContact OG1-NE1 3.38Å; T190-F205 HydrophobicContact CG2-CE2 3.74Å; T190-F205 HydrophobicContact CG2-CZ 3.87Å
191	D	91.6	Very high	78	Confident	91 Å²	91	81.9 Å²	81.9	49%	0.487	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-57.4	148.8	165.8	-70.2	-1.2	0	0	0	111.3	W201 Q203	D191-W201 VanDerWaalsContact O-CD1 3.23Å; D191-W201 PolarHBondContact O-NE1 3.37Å; D191-Q203 PolarHBondContact OD1-NE2 2.94Å; D191-Q203 PolarHBondContact OD2-NE2 2.91Å
192	I	91.7	Very high	80.6	Confident	54 Å²	54	80.5 Å²	80.5	28%	0.277	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-82.3	127	171.9	-60.6	137.1	0	0	0	108.5	D150 Y152 K224	D150-I192 HydrophobicContact CB-CG2 4.08Å; Y152-I192 HydrophobicContact CD1-CG1 4.06Å; Y152-I192 HydrophobicContact CG-CG1 4.12Å; I192-K224 HydrophobicContact CD1-CD 3.36Å; I192-K224 HydrophobicContact CG1-CD 3.92Å; I192-K224 HydrophobicContact CG2-CB 4.16Å; I192-K224 HydrophobicContact CG2-CD 4.28Å
193	K	91.2	Very high	83.1	Confident	61 Å²	61	79.6 Å²	79.6	27%	0.265	39%	0.389	S	S	.	.			trans	-104.5	115.6	176.3	-61.4	-65.8	172.1	172.9	0	108.8	D150 P151 T196 P199 I200 W201	D150-K193 CarbonylContact C-O 3.54Å; D150-K193 VanDerWaalsContact CA-O 3.29Å; D150-K193 WeakPolarHBondContact CA-O 3.45Å; P151-K193 WeakPolarHBondContact CD-O 3.48Å; P151-K193 PolarHBondContact O-N 2.88Å; P151-K193 VanDerWaalsContact O-N 3.07Å; K193-T196 HydrophobicContact CB-CG2 3.84Å; K193-P199 HydrophobicContact CB-CB 3.87Å; K193-P199 HydrophobicContact CG-CB 3.99Å; K193-I200 WeakPolarHBondContact CE-O 3.47Å; K193-I200 PolarHBondContact NZ-O 3.35Å; K193-W201 HydrophobicContact CG-CG 4.45Å
194	K	89.1	Confident	85.5	Confident	135 Å²	135	79.7 Å²	79.7	59%	0.587	39%	0.386	S	S	*	.			trans	-76.8	144	-173.7	-63	-165.3	170.9	-154	0	113.4	D150 T196 E226	D150-K194 WeakPolarHBondContact OD1-CA 3.3Å; K194-T196 PolarHBondContact O-N 3.43Å; K194-E226 IonicContact NZ-OE1 3.87Å; K194-E226 PolarHBondContact NZ-OE1 3.47Å
195	Q	86.9	Confident	87.7	Confident	125 Å²	125	72.4 Å²	72.4	58%	0.584	35%	0.353	S	S	*	.	S	Bend	trans	45.3	51.8	169.2	-60.9	-173.2	-0.3	0	0	113.9	F148 S149 D150	F148-Q195 HydrophobicContact CB-CB 4.26Å; S149-Q195 CarbonylContact O-C 3.59Å; S149-Q195 WeakPolarHBondContact O-CA 3.3Å; S149-Q195 PolarHBondContact O-N 3.09Å; D150-Q195 PolarHBondContact OD1-N 3.1Å
196	T	90.6	Very high	89.6	Confident	33 Å²	33	67.6 Å²	67.6	20%	0.202	33%	0.332	C	S	.	.			trans	-139.9	139.6	-180	-176.5	0	0	0	0	112.1	S149 P151 K193 K194 N198 P199	S149-T196 PolarHBondContact O-N 3.21Å; P151-T196 HydrophobicContact CG-CG2 4.22Å; K193-T196 HydrophobicContact CB-CG2 3.84Å; K194-T196 PolarHBondContact O-N 3.43Å; T196-N198 VanDerWaalsContact OG1-C 3.29Å; T196-N198 PolarHBondContact OG1-N 2.9Å; T196-N198 PolarHBondContact OG1-O 3.16Å; T196-P199 HydrophobicContact CG2-CB 3.79Å
197	L	90.6	Very high	90.7	Very high	44 Å²	44	62.4 Å²	62.4	23%	0.23	31%	0.309	C	S	.	.	S	Bend	trans	-95.1	-4.1	168.4	-56.2	-175.5	0	0	0	112.6	E139 I140 F148 P199	E139-L197 PolarHBondContact N-O 2.83Å; I140-L197 HydrophobicContact CG1-CB 4.25Å; I140-L197 HydrophobicContact CG1-CD2 4.14Å; I140-L197 WeakPolarHBondContact CG1-O 3.09Å; I140-L197 PolarHBondContact N-O 3.12Å; I140-L197 WeakPolarHBondContact O-CD2 3.33Å; F148-L197 HydrophobicContact CD1-CG 4.05Å; L197-P199 VanDerWaalsContact C-CD 3.47Å
198	N	92.7	Very high	91	Very high	80 Å²	80	62.9 Å²	62.9	43%	0.428	31%	0.31	S	S	.	.	S	Bend	trans	-132.7	64.7	179.9	-53.1	-73.2	0	0	0	109.9	A137 K138 E139 T196	A137-N198 CarbonylContact O-C 3.55Å; A137-N198 WeakPolarHBondContact O-CA 3.23Å; K138-N198 VanDerWaalsContact CA-OD1 3.26Å; K138-N198 WeakPolarHBondContact CA-OD1 3.47Å; E139-N198 PolarHBondContact N-OD1 3.06Å; T196-N198 VanDerWaalsContact OG1-C 3.29Å; T196-N198 PolarHBondContact OG1-N 2.9Å; T196-N198 PolarHBondContact OG1-O 3.16Å
199	P	93.4	Very high	91	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.006	30%	0.298	C	S	.	.			trans	-66.6	142.6	-178.2	29.2	-38	0	0	0	111.9	E136 A137 I140 P151 K193 T196 L197 W201	E136-P199 CarbonylContact C-O 3.51Å; E136-P199 WeakPolarHBondContact CA-O 3.45Å; E136-P199 VanDerWaalsContact CB-O 3.32Å; E136-P199 WeakPolarHBondContact CB-O 3.32Å; A137-P199 HydrophobicContact CB-CG 3.86Å; A137-P199 PolarHBondContact N-O 3.39Å; A137-P199 WeakPolarHBondContact O-CD 3.45Å; I140-P199 HydrophobicContact CD1-CG 4.11Å; P151-P199 HydrophobicContact CB-CG 4.24Å; P151-P199 HydrophobicContact CG-CB 3.68Å; P151-P199 HydrophobicContact CG-CG 3.58Å; K193-P199 HydrophobicContact CB-CB 3.87Å; K193-P199 HydrophobicContact CG-CB 3.99Å; T196-P199 HydrophobicContact CG2-CB 3.79Å; L197-P199 VanDerWaalsContact C-CD 3.47Å; P199-W201 HydrophobicContact CB-CD2 4.27Å; P199-W201 HydrophobicContact CB-CE3 4.17Å; P199-W201 HydrophobicContact CB-CH2 3.55Å; P199-W201 HydrophobicContact CB-CZ2 3.59Å; P199-W201 HydrophobicContact CB-CZ3 3.84Å; P199-W201 HydrophobicContact CG-CE3 4.23Å; P199-W201 HydrophobicContact CG-CH2 3.07Å; P199-W201 HydrophobicContact CG-CZ2 3.63Å; P199-W201 HydrophobicContact CG-CZ3 3.42Å; P199-W201 VanDerWaalsContact CG-CZ3 3.42Å
200	I	93.2	Very high	90.6	Very high	94 Å²	94	61.9 Å²	61.9	48%	0.482	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	118.8	172.1	-55.4	174.6	0	0	0	107.8	E136 K193	E136-I200 HydrophobicContact CB-CB 4.43Å; E136-I200 HydrophobicContact CB-CG1 3.99Å; K193-I200 WeakPolarHBondContact CE-O 3.47Å; K193-I200 PolarHBondContact NZ-O 3.35Å
201	W	93.6	Very high	90	Very high	14 Å²	14	64.9 Å²	64.9	5%	0.053	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-52.8	-179.6	-66.5	-84.8	0	0	0	112.4	V134 K135 A137 P151 T190 D191 K193 P199 Q203 M221	V134-W201 HydrophobicContact CG1-CD2 4.2Å; V134-W201 HydrophobicContact CG1-CE3 3.68Å; V134-W201 HydrophobicContact CG1-CZ3 4.14Å; V134-W201 WeakPolarHBondContact O-CB 3.48Å; K135-W201 PolarHBondContact O-N 3.06Å; A137-W201 HydrophobicContact CB-CH2 4.14Å; A137-W201 HydrophobicContact CB-CZ3 3.77Å; P151-W201 HydrophobicContact CB-CH2 4.27Å; P151-W201 HydrophobicContact CB-CZ2 3.98Å; P151-W201 HydrophobicContact CG-CZ2 4.19Å; T190-W201 PolarHBondContact OG1-NE1 3.38Å; D191-W201 VanDerWaalsContact O-CD1 3.23Å; D191-W201 PolarHBondContact O-NE1 3.37Å; K193-W201 HydrophobicContact CG-CG 4.45Å; P199-W201 HydrophobicContact CB-CD2 4.27Å; P199-W201 HydrophobicContact CB-CE3 4.17Å; P199-W201 HydrophobicContact CB-CH2 3.55Å; P199-W201 HydrophobicContact CB-CZ2 3.59Å; P199-W201 HydrophobicContact CB-CZ3 3.84Å; P199-W201 HydrophobicContact CG-CE3 4.23Å; P199-W201 HydrophobicContact CG-CH2 3.07Å; P199-W201 HydrophobicContact CG-CZ2 3.63Å; P199-W201 HydrophobicContact CG-CZ3 3.42Å; P199-W201 VanDerWaalsContact CG-CZ3 3.42Å; W201-Q203 HydrophobicContact CB-CB 4.48Å; W201-Q203 HydrophobicContact CB-CG 4.24Å; W201-Q203 PolarHBondContact O-N 3.43Å; W201-M221 HydrophobicContact CH2-CE 3.82Å; W201-M221 HydrophobicContact CH2-SD 4.36Å; W201-M221 HydrophobicContact CZ3-CE 4.24Å
202	N	90.7	Very high	89.5	Confident	106 Å²	106	62.5 Å²	62.5	57%	0.567	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	48.4	44.9	-169.1	-64.2	-37.8	0	0	0	112.9	V134 K135	V134-N202 WeakPolarHBondContact O-CA 3.34Å; V134-N202 PolarHBondContact O-N 2.83Å; K135-N202 PolarHBondContact O-N 2.78Å; K135-N202 VanDerWaalsContact O-N 3.09Å
203	Q	92.1	Very high	88.9	Confident	38 Å²	38	64.5 Å²	64.5	18%	0.178	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	133.8	-179.5	-68.5	-171.2	-18.2	0	0	111.2	T133 V134 D191 W201 F205	T133-Q203 CarbonylContact C-O 3.57Å; T133-Q203 VanDerWaalsContact CA-O 3.27Å; T133-Q203 WeakPolarHBondContact CA-O 3.24Å; V134-Q203 PolarHBondContact N-O 2.81Å; V134-Q203 PolarHBondContact O-N 3.31Å; V134-Q203 VanDerWaalsContact O-N 3.12Å; D191-Q203 PolarHBondContact OD1-NE2 2.94Å; D191-Q203 PolarHBondContact OD2-NE2 2.91Å; W201-Q203 HydrophobicContact CB-CB 4.48Å; W201-Q203 HydrophobicContact CB-CG 4.24Å; W201-Q203 PolarHBondContact O-N 3.43Å; Q203-F205 HydrophobicContact CB-CE2 3.81Å; Q203-F205 HydrophobicContact CB-CZ 3.96Å
204	T	92.1	Very high	88.4	Confident	76 Å²	76	63.2 Å²	63.2	47%	0.466	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.2	-176.5	-52.7	0	0	0	0	111.2	M131 V132 T133	M131-T204 HydrophobicContact CG-CG2 3.45Å; M131-T204 VanDerWaalsContact CG-CG2 3.45Å; M131-T204 HydrophobicContact SD-CG2 3.78Å; V132-T204 CarbonylContact O-C 3.51Å; V132-T204 WeakPolarHBondContact O-CA 3.44Å; T133-T204 WeakPolarHBondContact CG2-OG1 3.5Å; T133-T204 WeakPolarHBondContact OG1-CG2 3.17Å; T133-T204 PolarHBondContact OG1-OG1 2.78Å
205	F	91.9	Very high	88.2	Confident	28 Å²	28	56.9 Å²	56.9	12%	0.123	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	148	178.2	-54.6	-85.1	0	0	0	109.6	M131 V132 V134 L155 Y188 T190 Q203 L207	M131-F205 CarbonylContact C-O 3.46Å; M131-F205 WeakPolarHBondContact CA-O 3.4Å; V132-F205 PolarHBondContact N-O 2.8Å; V132-F205 PolarHBondContact O-N 3.12Å; V134-F205 HydrophobicContact CG2-CE2 4.35Å; L155-F205 HydrophobicContact CD1-CD2 4.02Å; L155-F205 HydrophobicContact CD1-CE2 3.96Å; L155-F205 HydrophobicContact CD1-CZ 4.49Å; L155-F205 HydrophobicContact CD2-CB 4.48Å; L155-F205 HydrophobicContact CD2-CD2 3.78Å; L155-F205 HydrophobicContact CD2-CE2 4.43Å; L155-F205 HydrophobicContact CD2-CG 4.35Å; Y188-F205 HydrophobicContact CD1-CB 4.4Å; Y188-F205 AromaticContact CD1-CD1 3.83Å; Y188-F205 HydrophobicContact CD1-CD1 3.83Å; Y188-F205 HydrophobicContact CG-CB 4.33Å; Y188-F205 HydrophobicContact CG-CD1 4.02Å; Y188-F205 HydrophobicContact CG-CG 4.44Å; T190-F205 HydrophobicContact CG2-CE2 3.74Å; T190-F205 HydrophobicContact CG2-CZ 3.87Å; Q203-F205 HydrophobicContact CB-CE2 3.81Å; Q203-F205 HydrophobicContact CB-CZ 3.96Å; F205-L207 HydrophobicContact CB-CD1 4.2Å
206	I	90.3	Very high	88.3	Confident	73 Å²	73	51.6 Å²	51.6	37%	0.374	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	113.5	177.7	-60.6	174	0	0	0	107.2	C129 M131 Y188 I301	C129-I206 HydrophobicContact CB-CG2 3.7Å; M131-I206 HydrophobicContact CG-CG1 4.43Å; Y188-I206 PolarHBondContact OH-O 3.43Å; I206-I301 HydrophobicContact CD1-CD1 4.17Å; I206-I301 HydrophobicContact CG1-CD1 4.32Å; I206-I301 HydrophobicContact CG2-CD1 4.22Å
207	L	89.7	Confident	88.4	Confident	3 Å²	3	50 Å²	50	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122.6	-177.6	-55.3	97.6	0	0	0	110.1	C129 L130 V132 L155 V157 Y188 F205 F217	C129-L207 CarbonylContact C-O 3.42Å; C129-L207 VanDerWaalsContact CA-O 3.26Å; C129-L207 WeakPolarHBondContact CA-O 3.13Å; L130-L207 PolarHBondContact N-O 2.71Å; L130-L207 WeakPolarHBondContact O-CD1 3.16Å; L130-L207 PolarHBondContact O-N 3.27Å; V132-L207 HydrophobicContact CB-CD1 3.93Å; V132-L207 HydrophobicContact CG2-CD1 3.51Å; L155-L207 HydrophobicContact CB-CD2 4.15Å; V157-L207 HydrophobicContact CG2-CB 3.59Å; V157-L207 HydrophobicContact CG2-CD2 3.77Å; V157-L207 HydrophobicContact CG2-CG 4.27Å; Y188-L207 HydrophobicContact CD2-CD2 3.69Å; Y188-L207 HydrophobicContact CD2-CG 3.9Å; Y188-L207 HydrophobicContact CE2-CB 4.47Å; Y188-L207 HydrophobicContact CE2-CD2 3.94Å; Y188-L207 HydrophobicContact CE2-CG 3.81Å; F205-L207 HydrophobicContact CB-CD1 4.2Å; L207-F217 HydrophobicContact CD1-CE2 4.34Å; L207-F217 HydrophobicContact CD2-CE2 4.35Å
208	E	89.1	Confident	88.4	Confident	81 Å²	81	49.4 Å²	49.4	38%	0.379	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	141.6	-179.5	-65.4	174.7	-171.7	0	0	111.4	I127 Y128 K303	I127-E208 HydrophobicContact CG2-CB 4.36Å; I127-E208 HydrophobicContact CG2-CG 3.96Å; Y128-E208 WeakPolarHBondContact O-CA 3.2Å; E208-K303 WeakPolarHBondContact OE1-CD 3.4Å; E208-K303 IonicContact OE1-NZ 2.65Å; E208-K303 PolarHBondContact OE1-NZ 3.14Å
209	F	87.8	Confident	88.5	Confident	11 Å²	11	45.6 Å²	45.6	5%	0.048	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	156.1	177.2	66	-94	0	0	0	112.4	M84 Y128 L130 V157 L212 T215 L268 F300	M84-F209 HydrophobicContact SD-CZ 3.98Å; Y128-F209 VanDerWaalsContact CB-CE2 3.43Å; Y128-F209 VanDerWaalsContact CB-CZ 3.47Å; Y128-F209 HydrophobicContact CG-CE2 4.14Å; Y128-F209 HydrophobicContact CG-CZ 4.43Å; Y128-F209 PolarHBondContact O-N 3.32Å; L130-F209 HydrophobicContact CB-CD1 4.46Å; L130-F209 HydrophobicContact CB-CE1 4.28Å; V157-F209 HydrophobicContact CG1-CB 4.11Å; F209-L212 HydrophobicContact CE2-CD2 3.48Å; F209-L212 VanDerWaalsContact CE2-CD2 3.48Å; F209-L212 HydrophobicContact CE2-CG 3.8Å; F209-L212 HydrophobicContact CZ-CD2 3.57Å; F209-L212 HydrophobicContact CZ-CG 4.3Å; F209-T215 HydrophobicContact CB-CG2 4.03Å; F209-L268 HydrophobicContact CB-CD1 4.41Å; F209-L268 HydrophobicContact CD1-CD1 3.78Å; F209-L268 HydrophobicContact CD2-CD1 4.1Å; F209-L268 HydrophobicContact CE1-CD1 3.97Å; F209-L268 HydrophobicContact CE2-CD1 4.3Å; F209-L268 HydrophobicContact CG-CD1 3.84Å; F209-L268 HydrophobicContact CZ-CD1 4.23Å; F209-F300 AromaticContact CE1-CD1 3.94Å; F209-F300 HydrophobicContact CE1-CD1 3.94Å; F209-F300 AromaticContact CE1-CE1 3.97Å; F209-F300 HydrophobicContact CE1-CE1 3.97Å; F209-F300 AromaticContact CZ-CD1 3.83Å; F209-F300 HydrophobicContact CZ-CD1 3.83Å; F209-F300 AromaticContact CZ-CE1 3.81Å; F209-F300 HydrophobicContact CZ-CE1 3.81Å
210	E	81.4	Confident	88.4	Confident	148 Å²	148	46.9 Å²	46.9	69%	0.692	25%	0.245	S	C	*	.	S	Bend	trans	-94.3	-46	-177.4	-63.8	-173.1	-173.9	0	0	113.4
211	D	81.1	Confident	88.3	Confident	67 Å²	67	42.4 Å²	42.4	36%	0.358	22%	0.222	S	C	.	.			trans	-130.4	139.8	-178.9	179.2	31.8	0	0	0	112.9	T213 S214 T215	D211-T213 PolarHBondContact OD1-N 3.11Å; D211-T213 PolarHBondContact OD2-N 3.03Å; D211-T213 PolarHBondContact OD2-OG1 3.01Å; D211-S214 PolarHBondContact OD2-N 3.45Å; D211-S214 PolarHBondContact OD2-OG 3.42Å; D211-T215 WeakPolarHBondContact O-CB 3.48Å; D211-T215 PolarHBondContact O-OG1 3.48Å
212	L	80.3	Confident	88.2	Confident	40 Å²	40	44 Å²	44	21%	0.209	23%	0.228	C	C	.	.	S	Bend	trans	-72.5	-27.7	177.1	-76	170.2	0	0	0	113.2	M84 F209 L268 K269 F300	M84-L212 HydrophobicContact CB-CD1 4.31Å; M84-L212 HydrophobicContact CG-CD1 4.17Å; F209-L212 HydrophobicContact CE2-CD2 3.48Å; F209-L212 VanDerWaalsContact CE2-CD2 3.48Å; F209-L212 HydrophobicContact CE2-CG 3.8Å; F209-L212 HydrophobicContact CZ-CD2 3.57Å; F209-L212 HydrophobicContact CZ-CG 4.3Å; L212-L268 HydrophobicContact CD2-CB 4.03Å; L212-K269 PolarHBondContact O-N 3.5Å; L212-F300 HydrophobicContact CD2-CD1 4.4Å; L212-F300 HydrophobicContact CD2-CE1 3.67Å; L212-F300 HydrophobicContact CD2-CZ 4Å
213	T	79.6	Confident	88.1	Confident	96 Å²	96	39 Å²	39	59%	0.589	20%	0.201	S	C	*	.	S	Bend	trans	-82.9	-34.5	-167.5	75.5	0	0	0	0	113.8	D211	D211-T213 PolarHBondContact OD1-N 3.11Å; D211-T213 PolarHBondContact OD2-N 3.03Å; D211-T213 PolarHBondContact OD2-OG1 3.01Å
214	S	79.7	Confident	87.8	Confident	34 Å²	34	41.6 Å²	41.6	24%	0.238	21%	0.212	C	C	.	.	S	Bend	trans	-97.4	-3.6	-179.4	58.1	0	0	0	0	114.1	E160 D211	E160-S214 PolarHBondContact N-O 2.87Å; D211-S214 PolarHBondContact OD2-N 3.45Å; D211-S214 PolarHBondContact OD2-OG 3.42Å
215	T	86.4	Confident	87.2	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	138.6	-171	-59.6	0	0	0	0	113.9	V157 L158 F209 D211 L268	V157-T215 HydrophobicContact CG1-CG2 3.1Å; L158-T215 WeakPolarHBondContact O-CA 3.44Å; F209-T215 HydrophobicContact CB-CG2 4.03Å; D211-T215 WeakPolarHBondContact O-CB 3.48Å; D211-T215 PolarHBondContact O-OG1 3.48Å; T215-L268 HydrophobicContact CG2-CD1 3.45Å; T215-L268 VanDerWaalsContact CG2-CD1 3.45Å; T215-L268 HydrophobicContact CG2-CG 4Å; T215-L268 PolarHBondContact O-N 3.24Å
216	T	89.2	Confident	85.7	Confident	14 Å²	14	44.2 Å²	44.2	9%	0.086	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	136	176.2	58.2	0	0	0	0	111.5	V157 L158 H218 L266 R267	V157-T216 WeakPolarHBondContact CA-O 3.45Å; L158-T216 PolarHBondContact N-O 3.45Å; L158-T216 PolarHBondContact O-N 3.02Å; L158-T216 PolarHBondContact O-OG1 3.36Å; T216-H218 PolarHBondContact OG1-CD2 2.82Å; T216-H218 PolarHBondContact OG1-NE2 2.85Å; T216-L266 CarbonylContact C-O 3.35Å; T216-L266 WeakPolarHBondContact CA-O 3.35Å; T216-R267 HydrophobicContact CG2-CG 4.04Å
217	F	91.9	Very high	84.1	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	130.9	170.8	170.6	-103.1	0	0	0	109.8	L130 V132 L155 V157 L207 L219 V265 L266 L268 L296	L130-F217 HydrophobicContact CD2-CB 3.99Å; L130-F217 HydrophobicContact CD2-CD2 3.9Å; L130-F217 HydrophobicContact CD2-CG 3.96Å; V132-F217 HydrophobicContact CB-CE2 4.45Å; V132-F217 HydrophobicContact CB-CZ 4.48Å; V132-F217 HydrophobicContact CG1-CE2 4.25Å; V132-F217 HydrophobicContact CG1-CZ 3.8Å; V132-F217 HydrophobicContact CG2-CD2 4.27Å; V132-F217 HydrophobicContact CG2-CE2 3.79Å; V132-F217 HydrophobicContact CG2-CZ 4.1Å; L155-F217 HydrophobicContact CB-CE2 4.16Å; L155-F217 HydrophobicContact CB-CZ 4.49Å; L155-F217 HydrophobicContact CD2-CE2 4.09Å; L155-F217 HydrophobicContact CD2-CZ 3.97Å; L155-F217 HydrophobicContact CG-CE2 4.45Å; L155-F217 HydrophobicContact CG-CZ 4.34Å; V157-F217 HydrophobicContact CG2-CD2 4.44Å; L207-F217 HydrophobicContact CD1-CE2 4.34Å; L207-F217 HydrophobicContact CD2-CE2 4.35Å; F217-L219 HydrophobicContact CE1-CB 3.92Å; F217-L219 HydrophobicContact CZ-CB 3.92Å; F217-L219 HydrophobicContact CZ-CD1 4.38Å; F217-V265 CarbonylContact O-C 3.59Å; F217-V265 WeakPolarHBondContact O-CA 3.49Å; F217-L266 HydrophobicContact CB-CB 4.48Å; F217-L266 HydrophobicContact CD1-CB 4.46Å; F217-L266 HydrophobicContact CD1-CD1 4.12Å; F217-L266 HydrophobicContact CD1-CG 4.44Å; F217-L266 PolarHBondContact N-O 3Å; F217-L266 PolarHBondContact O-N 3.04Å; F217-L268 HydrophobicContact CB-CD2 3.85Å; F217-L296 HydrophobicContact CE1-CD1 4.1Å
218	H	90.9	Very high	82.2	Confident	31 Å²	31	52.4 Å²	52.4	14%	0.144	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.5	179.5	-70.5	-111	0	0	0	109.4	L155 M156 T216 I264 V265	L155-H218 WeakPolarHBondContact CA-O 3.23Å; M156-H218 HydrophobicContact CE-CB 4.14Å; M156-H218 HydrophobicContact CG-CB 3.86Å; M156-H218 PolarHBondContact N-O 3.29Å; M156-H218 PolarHBondContact O-N 2.98Å; M156-H218 HydrophobicContact SD-CB 4.46Å; T216-H218 PolarHBondContact OG1-CD2 2.82Å; T216-H218 PolarHBondContact OG1-NE2 2.85Å; H218-I264 WeakPolarHBondContact CA-O 3.45Å; H218-V265 VanDerWaalsContact CE1-CG1 3.44Å; H218-V265 WeakPolarHBondContact CE1-CG1 3.46Å; H218-V265 WeakPolarHBondContact ND1-CG2 3.48Å
219	L	93.4	Very high	80.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.3	167.4	-177.9	153.4	0	0	0	108.7	V134 C153 L154 L155 F217 N263 I264 L296	V134-L219 HydrophobicContact CG2-CD1 4Å; C153-L219 HydrophobicContact CB-CD1 4.32Å; C153-L219 HydrophobicContact CB-CD2 4.19Å; C153-L219 HydrophobicContact CB-CG 4.18Å; L154-L219 CarbonylContact O-C 3.32Å; L154-L219 WeakPolarHBondContact O-CA 3.03Å; L155-L219 HydrophobicContact CD2-CD1 4.49Å; L155-L219 HydrophobicContact CG-CD1 4.24Å; L155-L219 HydrophobicContact CG-CG 4.5Å; F217-L219 HydrophobicContact CE1-CB 3.92Å; F217-L219 HydrophobicContact CZ-CB 3.92Å; F217-L219 HydrophobicContact CZ-CD1 4.38Å; L219-N263 CarbonylContact O-C 3.57Å; L219-N263 WeakPolarHBondContact O-CA 3.35Å; L219-N263 WeakPolarHBondContact O-CB 3.38Å; L219-I264 HydrophobicContact CB-CB 4.35Å; L219-I264 HydrophobicContact CD2-CD1 4.36Å; L219-I264 PolarHBondContact N-O 3.09Å; L219-I264 PolarHBondContact O-N 3.37Å; L219-L296 HydrophobicContact CD1-CD1 4.1Å; L219-L296 HydrophobicContact CD1-CD2 3.65Å
220	E	92.2	Very high	78.3	Confident	29 Å²	29	58 Å²	58	14%	0.136	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.8	174.1	-56.8	-163.3	155.7	0	0	110.1	C153 L154 W222 F260 N263 R284	C153-E220 CarbonylContact C-O 3.48Å; C153-E220 VanDerWaalsContact CA-O 3.32Å; C153-E220 WeakPolarHBondContact CA-O 3.37Å; L154-E220 PolarHBondContact N-O 3.23Å; L154-E220 PolarHBondContact O-N 2.62Å; E220-W222 VanDerWaalsContact CB-NE1 3.33Å; E220-W222 WeakPolarHBondContact OE2-CZ2 3.4Å; E220-W222 PolarHBondContact OE2-NE1 3.32Å; E220-F260 HydrophobicContact CB-CE2 4.2Å; E220-F260 HydrophobicContact CG-CE2 4.45Å; E220-N263 HydrophobicContact CG-CB 4.22Å; E220-R284 IonicContact OE1-CZ 3.79Å; E220-R284 IonicContact OE1-NH2 2.81Å; E220-R284 PolarHBondContact OE1-NH2 2.92Å; E220-R284 IonicContact OE2-CZ 2.71Å; E220-R284 IonicContact OE2-NH2 3.71Å; E220-R284 PolarHBondContact OE2-NH2 3.38Å
221	M	91.7	Very high	76.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	131.2	177.1	-167.4	-179.2	-69	0	0	110.1	A137 I140 P151 Y152 W201 L261 G262 L281 C294	A137-M221 HydrophobicContact CB-CE 3.66Å; A137-M221 HydrophobicContact CB-SD 4.43Å; I140-M221 HydrophobicContact CD1-SD 4.37Å; I140-M221 HydrophobicContact CG2-SD 3.89Å; P151-M221 HydrophobicContact CB-CG 4.42Å; P151-M221 HydrophobicContact CB-SD 4.39Å; Y152-M221 WeakPolarHBondContact O-CA 3.42Å; W201-M221 HydrophobicContact CH2-CE 3.82Å; W201-M221 HydrophobicContact CH2-SD 4.36Å; W201-M221 HydrophobicContact CZ3-CE 4.24Å; M221-L261 HydrophobicContact CB-CB 4.12Å; M221-L261 HydrophobicContact CG-CB 4.01Å; M221-L261 HydrophobicContact CG-CD1 3.9Å; M221-L261 WeakPolarHBondContact O-CB 3.32Å; M221-L261 PolarHBondContact O-N 2.7Å; M221-L261 HydrophobicContact SD-CB 4.32Å; M221-L261 HydrophobicContact SD-CD1 4.16Å; M221-G262 PolarHBondContact N-O 3.24Å; M221-G262 PolarHBondContact O-N 3.21Å; M221-L281 HydrophobicContact CB-CD2 4.28Å; M221-L281 HydrophobicContact CE-CD1 3.93Å; M221-L281 HydrophobicContact CE-CD2 4.13Å; M221-L281 HydrophobicContact SD-CD1 3.87Å; M221-C294 HydrophobicContact CE-CB 4.08Å
222	W	90.7	Very high	75.4	Confident	47 Å²	47	59.2 Å²	59.2	18%	0.178	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.9	-174	-65.1	90.4	0	0	0	110.4	P151 Y152 E220 D258 D259 F260 R284	P151-W222 CarbonylContact C-O 3.59Å; P151-W222 VanDerWaalsContact CA-O 3.26Å; P151-W222 WeakPolarHBondContact CA-O 3.15Å; Y152-W222 HydrophobicContact CD1-CB 4.13Å; Y152-W222 WeakPolarHBondContact CD1-O 3.46Å; Y152-W222 HydrophobicContact CD2-CB 4.46Å; Y152-W222 HydrophobicContact CE1-CB 3.57Å; Y152-W222 HydrophobicContact CE2-CB 3.95Å; Y152-W222 HydrophobicContact CE2-CG 4.41Å; Y152-W222 VanDerWaalsContact CZ-CB 3.48Å; Y152-W222 PolarHBondContact N-O 3Å; Y152-W222 PolarHBondContact O-N 3.41Å; E220-W222 VanDerWaalsContact CB-NE1 3.33Å; E220-W222 WeakPolarHBondContact OE2-CZ2 3.4Å; E220-W222 PolarHBondContact OE2-NE1 3.32Å; W222-D258 HydrophobicContact CE3-CB 4.27Å; W222-D258 WeakPolarHBondContact CZ3-O 3.44Å; W222-D259 CarbonylContact C-O 3.43Å; W222-D259 WeakPolarHBondContact CA-O 3.43Å; W222-F260 HydrophobicContact CD2-CD2 4.14Å; W222-F260 AromaticContact CE2-CD2 3.84Å; W222-F260 HydrophobicContact CE3-CB 3.99Å; W222-F260 HydrophobicContact CE3-CD2 4.31Å; W222-F260 HydrophobicContact CH2-CB 4.25Å; W222-F260 HydrophobicContact CH2-CD2 4.04Å; W222-F260 AromaticContact CZ2-CD2 3.81Å; W222-F260 HydrophobicContact CZ2-CD2 3.81Å; W222-F260 HydrophobicContact CZ2-CE2 4.5Å; W222-F260 HydrophobicContact CZ3-CB 3.79Å; W222-F260 HydrophobicContact CZ3-CD2 4.26Å; W222-R284 VanDerWaalsContact CZ2-NH1 3.3Å
223	D	88.9	Confident	74	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	119.3	176	-178.8	58.2	0	0	0	108.8	K143 S149 D150 D225 D258 D259 L261	K143-D223 HydrophobicContact CB-CB 4.22Å; K143-D223 WeakPolarHBondContact CB-OD2 3.38Å; K143-D223 HydrophobicContact CG-CB 4.19Å; S149-D223 WeakPolarHBondContact CA-OD1 3.36Å; S149-D223 WeakPolarHBondContact CB-OD1 3.42Å; S149-D223 PolarHBondContact OG-OD1 3.28Å; D150-D223 PolarHBondContact N-OD1 3.3Å; D223-D225 PolarHBondContact O-N 3.28Å; D223-D258 CarbonylContact O-C 3.55Å; D223-D258 WeakPolarHBondContact O-CA 3.26Å; D223-D258 VanDerWaalsContact O-CB 3.24Å; D223-D258 WeakPolarHBondContact O-CB 3.4Å; D223-D259 HydrophobicContact CB-CB 3.8Å; D223-D259 WeakPolarHBondContact CB-O 3.29Å; D223-D259 PolarHBondContact N-O 2.89Å; D223-D259 PolarHBondContact O-N 3.03Å; D223-L261 HydrophobicContact CB-CD1 3.92Å; D223-L261 HydrophobicContact CB-CD2 4.07Å; D223-L261 HydrophobicContact CB-CG 3.9Å
224	K	86.3	Confident	72.7	Confident	93 Å²	93	64.8 Å²	64.8	40%	0.404	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-79.9	116.8	-177.4	-174.3	171.5	-177.2	174.4	0	110.5	D150 Y152 I192 E226	D150-K224 HydrophobicContact CB-CB 4.27Å; D150-K224 PolarHBondContact O-N 3.06Å; Y152-K224 HydrophobicContact CD1-CB 4.07Å; Y152-K224 HydrophobicContact CE1-CB 4Å; I192-K224 HydrophobicContact CD1-CD 3.36Å; I192-K224 HydrophobicContact CG1-CD 3.92Å; I192-K224 HydrophobicContact CG2-CB 4.16Å; I192-K224 HydrophobicContact CG2-CD 4.28Å; K224-E226 PolarHBondContact O-N 2.91Å
225	D	78.1	Confident	71.3	Confident	57 Å²	57	71.2 Å²	71.2	31%	0.305	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-72	122.5	174.5	-75.7	-35.8	0	0	0	109.6	D223 E227 D258	D223-D225 PolarHBondContact O-N 3.28Å; D225-E227 PolarHBondContact O-N 2.94Å; D225-D258 PolarHBondContact N-OD1 3.25Å
226	E	62.3	Low	69.5	Low	102 Å²	102	78.4 Å²	78.4	48%	0.477	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-67.1	131.4	170	-78.8	-165.5	152.3	0	0	110.2	K194 K224 V228	K194-E226 IonicContact NZ-OE1 3.87Å; K194-E226 PolarHBondContact NZ-OE1 3.47Å; K224-E226 PolarHBondContact O-N 2.91Å; E226-V228 HydrophobicContact CB-CG2 3.93Å; E226-V228 PolarHBondContact O-N 3.48Å
227	E	55.4	Low	67.5	Low	196 Å²	196	83.2 Å²	83.2	92%	0.916	41%	0.414	S	S	*	.			trans	-69.2	76.6	166.8	-73.3	-166.7	161.1	0	0	109.6	D225 S229	D225-E227 PolarHBondContact O-N 2.94Å; E227-S229 PolarHBondContact O-N 3.32Å
228	V	49.4	Very low	65.5	Low	53 Å²	53	92.6 Å²	92.6	32%	0.321	45%	0.454	S	S	.	.			trans	-73	113.7	-179.9	-173.1	0	0	0	0	109.1	E226 Q232 K233	E226-V228 HydrophobicContact CB-CG2 3.93Å; E226-V228 PolarHBondContact O-N 3.48Å; V228-Q232 HydrophobicContact CG1-CB 3.82Å; V228-K233 HydrophobicContact CG1-CG 4.04Å
229	S	49.1	Very low	63.5	Low	68 Å²	68	96.4 Å²	96.4	48%	0.476	48%	0.48	S	S	.	.			trans	-59.1	137.9	168.6	79.3	0	0	0	0	109.7	E227 T231 Q232	E227-S229 PolarHBondContact O-N 3.32Å; S229-T231 PolarHBondContact O-N 3.35Å; S229-T231 PolarHBondContact OG-OG1 2.87Å; S229-Q232 PolarHBondContact O-N 2.86Å; S229-Q232 VanDerWaalsContact O-N 3.1Å
230	L	46.9	Very low	61.1	Low	141 Å²	141	102.5 Å²	102.5	74%	0.738	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-16.7	-172.3	-74.8	160.7	0	0	0	114.9
231	T	50.1	Low	59	Low	108 Å²	108	108.3 Å²	108.3	66%	0.663	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-29.1	-179.1	50.3	0	0	0	0	113.6	S229	S229-T231 PolarHBondContact O-N 3.35Å; S229-T231 PolarHBondContact OG-OG1 2.87Å
232	Q	51.2	Low	57.1	Low	132 Å²	132	115.8 Å²	115.8	62%	0.617	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-28	174.9	-90.5	173.8	-28.4	0	0	113	V228 S229 L234	V228-Q232 HydrophobicContact CG1-CB 3.82Å; S229-Q232 PolarHBondContact O-N 2.86Å; S229-Q232 VanDerWaalsContact O-N 3.1Å; Q232-L234 PolarHBondContact O-N 2.79Å
233	K	51.1	Low	55.2	Low	119 Å²	119	115.4 Å²	115.4	52%	0.517	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.4	-17	178.9	-81.8	-177.6	173.7	176.2	0	114.7	V228 I237	V228-K233 HydrophobicContact CG1-CG 4.04Å; K233-I237 VanDerWaalsContact O-CD1 3.28Å; K233-I237 WeakPolarHBondContact O-CD1 3.27Å; K233-I237 VanDerWaalsContact O-CG1 3.32Å; K233-I237 WeakPolarHBondContact O-CG1 3.14Å
234	L	52.1	Low	53.4	Low	134 Å²	134	119.9 Å²	119.9	70%	0.702	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-19.2	-175.1	-109.6	150.8	0	0	0	114	Q232	Q232-L234 PolarHBondContact O-N 2.79Å
235	E	50.7	Low	51.7	Low	170 Å²	170	126.5 Å²	126.5	79%	0.794	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-32.2	-179.9	-79.9	-98.1	137.7	0	0	112.8	I237	E235-I237 PolarHBondContact O-N 2.84Å
236	E	47.3	Very low	50.5	Low	152 Å²	152	129.2 Å²	129.2	71%	0.71	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-80.8	-7.1	-178.4	-76.2	-174.7	152.3	0	0	115	K238	E236-K238 PolarHBondContact O-N 3.35Å; E236-K238 VanDerWaalsContact O-N 3.1Å
237	I	48.4	Very low	49.8	Very low	115 Å²	115	127.8 Å²	127.8	59%	0.59	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-69	-10.2	-174.4	-69.6	172.7	0	0	0	113.4	K233 E235	K233-I237 VanDerWaalsContact O-CD1 3.28Å; K233-I237 WeakPolarHBondContact O-CD1 3.27Å; K233-I237 VanDerWaalsContact O-CG1 3.32Å; K233-I237 WeakPolarHBondContact O-CG1 3.14Å; E235-I237 PolarHBondContact O-N 2.84Å
238	K	48.7	Very low	49.6	Very low	197 Å²	197	124.2 Å²	124.2	86%	0.857	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-84.7	-7	-172.4	-85.7	-179.4	178.4	172.2	0	116.8	E236	E236-K238 PolarHBondContact O-N 3.35Å; E236-K238 VanDerWaalsContact O-N 3.1Å
239	T	49	Very low	49.7	Very low	112 Å²	112	129.4 Å²	129.4	69%	0.687	64%	0.639	S	S	*	*	S	Bend	trans	-126.4	-4.7	-164.7	53.9	0	0	0	0	119.1
240	N	42.9	Very low	49.6	Very low	128 Å²	128	129.7 Å²	129.7	68%	0.684	63%	0.632	S	S	*	*			trans	-148.5	119.2	179.8	-90.7	-44.3	0	0	0	115.3	S243	N240-S243 PolarHBondContact O-OG 3.1Å
241	L	49.4	Very low	49.6	Very low	151 Å²	151	127.2 Å²	127.2	79%	0.791	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-80.1	-14.6	-177.7	-90.9	152	0	0	0	114.9	S243 L244	L241-S243 VanDerWaalsContact C-N 3.3Å; L241-S243 PolarHBondContact O-N 2.94Å; L241-L244 HydrophobicContact CD2-CD1 4.4Å
242	N	52.1	Low	49.4	Very low	157 Å²	157	131.2 Å²	131.2	84%	0.84	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-81.2	-7.1	-179.9	-71.2	-15.7	0	0	0	113.8
243	S	49.9	Very low	49.3	Very low	39 Å²	39	129.3 Å²	129.3	27%	0.273	63%	0.63	S	S	.	*	G	3₁₀ helix	trans	-81.1	-21.6	-177	58.8	0	0	0	0	114.2	N240 L241 R245 R246 M247	N240-S243 PolarHBondContact O-OG 3.1Å; L241-S243 VanDerWaalsContact C-N 3.3Å; L241-S243 PolarHBondContact O-N 2.94Å; S243-R245 VanDerWaalsContact C-N 3.33Å; S243-R245 PolarHBondContact O-N 2.85Å; S243-R246 PolarHBondContact O-N 2.97Å; S243-R246 VanDerWaalsContact O-N 3.14Å; S243-M247 PolarHBondContact O-N 3.27Å
244	L	51.5	Low	48.9	Very low	93 Å²	93	131.7 Å²	131.7	49%	0.487	64%	0.643	S	S	.	*	H	α-helix	trans	-61.4	-35.5	-173.7	-91.6	151.3	0	0	0	113.7	L241 R246 M247 I248	L241-L244 HydrophobicContact CD2-CD1 4.4Å; L244-R246 VanDerWaalsContact C-N 3.34Å; L244-M247 HydrophobicContact CD2-CE 4.18Å; L244-M247 HydrophobicContact CG-CE 3.99Å; L244-I248 WeakPolarHBondContact O-CD1 3.36Å; L244-I248 VanDerWaalsContact O-CG1 3.29Å; L244-I248 WeakPolarHBondContact O-CG1 3.18Å; L244-I248 PolarHBondContact O-N 2.9Å
245	R	49.5	Very low	48.4	Very low	232 Å²	232	135.5 Å²	135.5	88%	0.875	65%	0.654	S	S	*	*	H	α-helix	trans	-74.4	-25.4	-179.5	-157.9	175.4	-174	170.5	1.6	112.7	S243	S243-R245 VanDerWaalsContact C-N 3.33Å; S243-R245 PolarHBondContact O-N 2.85Å
246	R	52.7	Low	48.6	Very low	115 Å²	115	130.8 Å²	130.8	43%	0.434	65%	0.651	S	S	.	*	H	α-helix	trans	-86.4	-40.2	178.4	-152.5	172.2	170	170.1	-4	110.5	G142 K143 S243 L244 I248 K249 E250	G142-R246 PolarHBondContact O-NH2 3.42Å; K143-R246 PolarHBondContact O-NH2 3.27Å; S243-R246 PolarHBondContact O-N 2.97Å; S243-R246 VanDerWaalsContact O-N 3.14Å; L244-R246 VanDerWaalsContact C-N 3.34Å; R246-I248 PolarHBondContact O-N 3.49Å; R246-K249 WeakPolarHBondContact O-CA 3.48Å; R246-K249 VanDerWaalsContact O-CB 3.29Å; R246-K249 WeakPolarHBondContact O-CB 3.47Å; R246-K249 PolarHBondContact O-N 2.57Å; R246-E250 PolarHBondContact O-N 3.02Å; R246-E250 VanDerWaalsContact O-N 3.17Å
247	M	47.7	Very low	49.4	Very low	72 Å²	72	126.8 Å²	126.8	36%	0.355	64%	0.637	S	S	.	*	H	α-helix	trans	-60.3	-37.5	174.1	-80.3	-169.7	-63.1	0	0	114.3	S243 L244 K249 E250 A251	S243-M247 PolarHBondContact O-N 3.27Å; L244-M247 HydrophobicContact CD2-CE 4.18Å; L244-M247 HydrophobicContact CG-CE 3.99Å; M247-K249 PolarHBondContact O-N 2.91Å; M247-E250 PolarHBondContact O-N 3.07Å; M247-A251 PolarHBondContact O-N 3.37Å; M247-A251 VanDerWaalsContact O-N 3.07Å
248	I	51.2	Low	51	Low	120 Å²	120	123.5 Å²	123.5	62%	0.615	62%	0.621	S	S	*	*	H	α-helix	trans	-66.2	-24.1	176.4	-67.1	166.4	0	0	0	111.4	L244 R246	L244-I248 WeakPolarHBondContact O-CD1 3.36Å; L244-I248 VanDerWaalsContact O-CG1 3.29Å; L244-I248 WeakPolarHBondContact O-CG1 3.18Å; L244-I248 PolarHBondContact O-N 2.9Å; R246-I248 PolarHBondContact O-N 3.49Å
249	K	51.6	Low	52.7	Low	163 Å²	163	115.7 Å²	115.7	71%	0.709	59%	0.588	S	S	*	*	H	α-helix	trans	-81.5	-33	175.5	-146	178.4	-177.7	-176	0	111.6	R246 M247 K252	R246-K249 WeakPolarHBondContact O-CA 3.48Å; R246-K249 VanDerWaalsContact O-CB 3.29Å; R246-K249 WeakPolarHBondContact O-CB 3.47Å; R246-K249 PolarHBondContact O-N 2.57Å; M247-K249 PolarHBondContact O-N 2.91Å; K249-K252 PolarHBondContact O-N 3.41Å
250	E	47.1	Very low	54.4	Low	73 Å²	73	111.5 Å²	111.5	34%	0.341	56%	0.56	S	S	.	*	H	α-helix	trans	-72	-33.3	176.3	-77	169.1	-163.8	0	0	113.4	R246 M247 K252 K253	R246-E250 PolarHBondContact O-N 3.02Å; R246-E250 VanDerWaalsContact O-N 3.17Å; M247-E250 PolarHBondContact O-N 3.07Å; E250-K252 PolarHBondContact O-N 2.95Å; E250-K253 PolarHBondContact O-N 3.49Å
251	A	47	Very low	56.5	Low	90 Å²	90	105.4 Å²	105.4	74%	0.744	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-9.4	174.7	0	0	0	0	0	114.2	M247	M247-A251 PolarHBondContact O-N 3.37Å; M247-A251 VanDerWaalsContact O-N 3.07Å
252	K	46.7	Very low	58.4	Low	191 Å²	191	98.2 Å²	98.2	83%	0.83	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-4.2	177.4	-91.1	-174.1	174.8	-177.8	0	114.6	K249 E250	K249-K252 PolarHBondContact O-N 3.41Å; E250-K252 PolarHBondContact O-N 2.95Å
253	K	49.2	Very low	60.2	Low	92 Å²	92	91.9 Å²	91.9	40%	0.4	46%	0.457	S	S	.	.	S	Bend	trans	-78.5	132.4	176.8	-97	-177.4	166.3	-168.2	0	110.1	E250 D259	E250-K253 PolarHBondContact O-N 3.49Å; K253-D259 IonicContact NZ-OD1 2.75Å; K253-D259 PolarHBondContact NZ-OD1 3.24Å; K253-D259 IonicContact NZ-OD2 2.79Å; K253-D259 PolarHBondContact NZ-OD2 2.91Å
254	E	42	Very low	62.2	Low	169 Å²	169	90.3 Å²	90.3	79%	0.79	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-58.7	141.7	170	-73.4	178.3	154.5	0	0	109.9	G256	E254-G256 PolarHBondContact O-N 3.23Å
255	K	42.2	Very low	64.1	Low	215 Å²	215	88.6 Å²	88.6	94%	0.935	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	127.9	-176	-75.3	177.4	172.4	-178.6	0	111.6
256	G	54.8	Low	66	Low	70 Å²	70	78.8 Å²	78.8	72%	0.722	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	30.3	160.5	0	0	0	0	0	116.9	E254	E254-G256 PolarHBondContact O-N 3.23Å
257	T	64.5	Low	67.8	Low	69 Å²	69	79.5 Å²	79.5	42%	0.423	41%	0.406	S	S	.	.			trans	-116.1	106.7	175.5	51.6	0	0	0	0	112.7
258	D	82.3	Confident	69.7	Low	45 Å²	45	76 Å²	76	24%	0.241	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-49.1	148.9	175.7	-68.4	-9.6	0	0	0	113.6	Y152 W222 D223 D225	Y152-D258 HydrophobicContact CE1-CB 4.46Å; Y152-D258 VanDerWaalsContact CE1-OD2 3.25Å; Y152-D258 WeakPolarHBondContact CE1-OD2 3.41Å; Y152-D258 VanDerWaalsContact CZ-OD2 3.28Å; Y152-D258 PolarHBondContact OH-OD2 3.1Å; W222-D258 HydrophobicContact CE3-CB 4.27Å; W222-D258 WeakPolarHBondContact CZ3-O 3.44Å; D223-D258 CarbonylContact O-C 3.55Å; D223-D258 WeakPolarHBondContact O-CA 3.26Å; D223-D258 VanDerWaalsContact O-CB 3.24Å; D223-D258 WeakPolarHBondContact O-CB 3.4Å; D225-D258 PolarHBondContact N-OD1 3.25Å
259	D	83.9	Confident	71.3	Confident	33 Å²	33	75.1 Å²	75.1	18%	0.176	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	125.1	-173.7	-109.8	-31	0	0	0	112.5	K143 W222 D223 K253 L261	K143-D259 HydrophobicContact CB-CB 4.3Å; K143-D259 HydrophobicContact CD-CB 4.11Å; K143-D259 HydrophobicContact CG-CB 4.03Å; K143-D259 IonicContact NZ-OD1 3.74Å; W222-D259 CarbonylContact C-O 3.43Å; W222-D259 WeakPolarHBondContact CA-O 3.43Å; D223-D259 HydrophobicContact CB-CB 3.8Å; D223-D259 WeakPolarHBondContact CB-O 3.29Å; D223-D259 PolarHBondContact N-O 2.89Å; D223-D259 PolarHBondContact O-N 3.03Å; K253-D259 IonicContact NZ-OD1 2.75Å; K253-D259 PolarHBondContact NZ-OD1 3.24Å; K253-D259 IonicContact NZ-OD2 2.79Å; K253-D259 PolarHBondContact NZ-OD2 2.91Å; D259-L261 PolarHBondContact O-N 3.3Å
260	F	85.3	Confident	73	Confident	24 Å²	24	70.4 Å²	70.4	11%	0.105	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	125.8	177.8	-175.6	-99	0	0	0	111.6	K143 E220 W222 G262 N263 R284	K143-F260 WeakPolarHBondContact CE-O 3.47Å; K143-F260 PolarHBondContact NZ-O 3.06Å; E220-F260 HydrophobicContact CB-CE2 4.2Å; E220-F260 HydrophobicContact CG-CE2 4.45Å; W222-F260 HydrophobicContact CD2-CD2 4.14Å; W222-F260 AromaticContact CE2-CD2 3.84Å; W222-F260 HydrophobicContact CE3-CB 3.99Å; W222-F260 HydrophobicContact CE3-CD2 4.31Å; W222-F260 HydrophobicContact CH2-CB 4.25Å; W222-F260 HydrophobicContact CH2-CD2 4.04Å; W222-F260 AromaticContact CZ2-CD2 3.81Å; W222-F260 HydrophobicContact CZ2-CD2 3.81Å; W222-F260 HydrophobicContact CZ2-CE2 4.5Å; W222-F260 HydrophobicContact CZ3-CB 3.79Å; W222-F260 HydrophobicContact CZ3-CD2 4.26Å; F260-G262 WeakPolarHBondContact CZ-O 3.49Å; F260-N263 HydrophobicContact CE2-CB 4.22Å; F260-N263 HydrophobicContact CZ-CB 3.73Å; F260-R284 HydrophobicContact CD1-CB 4.15Å; F260-R284 HydrophobicContact CD1-CG 4.03Å; F260-R284 HydrophobicContact CE1-CB 3.89Å; F260-R284 HydrophobicContact CE1-CG 3.49Å; F260-R284 VanDerWaalsContact CE1-CG 3.49Å; F260-R284 HydrophobicContact CE2-CG 4.36Å; F260-R284 HydrophobicContact CZ-CG 3.66Å
261	L	86.4	Confident	74.9	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-39.8	179.6	-67	175.2	0	0	0	112.2	I140 L141 K143 P151 M221 D223 D259 R291	I140-L261 HydrophobicContact CD1-CD1 4.21Å; L141-L261 HydrophobicContact CB-CD2 4.48Å; L141-L261 VanDerWaalsContact O-CD2 3.24Å; L141-L261 WeakPolarHBondContact O-CD2 3.4Å; K143-L261 HydrophobicContact CD-CD2 4.42Å; K143-L261 HydrophobicContact CG-CD2 3.48Å; K143-L261 VanDerWaalsContact CG-CD2 3.48Å; P151-L261 HydrophobicContact CB-CD1 3.83Å; M221-L261 HydrophobicContact CB-CB 4.12Å; M221-L261 HydrophobicContact CG-CB 4.01Å; M221-L261 HydrophobicContact CG-CD1 3.9Å; M221-L261 WeakPolarHBondContact O-CB 3.32Å; M221-L261 PolarHBondContact O-N 2.7Å; M221-L261 HydrophobicContact SD-CB 4.32Å; M221-L261 HydrophobicContact SD-CD1 4.16Å; D223-L261 HydrophobicContact CB-CD1 3.92Å; D223-L261 HydrophobicContact CB-CD2 4.07Å; D223-L261 HydrophobicContact CB-CG 3.9Å; D259-L261 PolarHBondContact O-N 3.3Å; L261-R291 WeakPolarHBondContact O-CD 3.39Å
262	G	88.6	Confident	76.7	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.3	168.7	177.2	0	0	0	0	0	112.6	M221 F260 E282	M221-G262 PolarHBondContact N-O 3.24Å; M221-G262 PolarHBondContact O-N 3.21Å; F260-G262 WeakPolarHBondContact CZ-O 3.49Å; G262-E282 CarbonylContact C-O 3.5Å; G262-E282 VanDerWaalsContact CA-O 3.27Å; G262-E282 WeakPolarHBondContact CA-O 3.45Å
263	N	90.6	Very high	78.5	Confident	25 Å²	25	57.6 Å²	57.6	13%	0.134	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	160.6	173.4	65.6	-42	0	0	0	112.9	L219 E220 F260 E282	L219-N263 CarbonylContact O-C 3.57Å; L219-N263 WeakPolarHBondContact O-CA 3.35Å; L219-N263 WeakPolarHBondContact O-CB 3.38Å; E220-N263 HydrophobicContact CG-CB 4.22Å; F260-N263 HydrophobicContact CE2-CB 4.22Å; F260-N263 HydrophobicContact CZ-CB 3.73Å; N263-E282 PolarHBondContact N-O 3.43Å; N263-E282 PolarHBondContact O-N 3.02Å; N263-E282 PolarHBondContact OD1-O 3.45Å
264	I	91.9	Very high	80.3	Confident	5 Å²	5	55.5 Å²	55.5	3%	0.026	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.1	172	-67	160.3	0	0	0	106.9	H218 L219 L266 Y279 L281 C294 L296	H218-I264 WeakPolarHBondContact CA-O 3.45Å; L219-I264 HydrophobicContact CB-CB 4.35Å; L219-I264 HydrophobicContact CD2-CD1 4.36Å; L219-I264 PolarHBondContact N-O 3.09Å; L219-I264 PolarHBondContact O-N 3.37Å; I264-L266 HydrophobicContact CG2-CD1 4.07Å; I264-L266 HydrophobicContact CG2-CD2 4.04Å; I264-L266 HydrophobicContact CG2-CG 3.81Å; I264-Y279 HydrophobicContact CG2-CD1 4.3Å; I264-Y279 HydrophobicContact CG2-CG 4.23Å; I264-L281 HydrophobicContact CD1-CD2 4.02Å; I264-L281 HydrophobicContact CG1-CD2 4.11Å; I264-C294 HydrophobicContact CD1-CB 3.74Å; I264-L296 HydrophobicContact CD1-CD1 4.08Å; I264-L296 HydrophobicContact CG2-CD1 4.41Å
265	V	90.1	Very high	82.4	Confident	58 Å²	58	48.6 Å²	48.6	35%	0.352	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	118.8	177.9	-175.3	0	0	0	0	109.1	F217 H218	F217-V265 CarbonylContact O-C 3.59Å; F217-V265 WeakPolarHBondContact O-CA 3.49Å; H218-V265 VanDerWaalsContact CE1-CG1 3.44Å; H218-V265 WeakPolarHBondContact CE1-CG1 3.46Å; H218-V265 WeakPolarHBondContact ND1-CG2 3.48Å
266	L	90.8	Very high	84.7	Confident	25 Å²	25	42 Å²	42	13%	0.131	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.3	-176.7	-56	175.6	0	0	0	110.1	T216 F217 I264 L271 Y279 L298	T216-L266 CarbonylContact C-O 3.35Å; T216-L266 WeakPolarHBondContact CA-O 3.35Å; F217-L266 HydrophobicContact CB-CB 4.48Å; F217-L266 HydrophobicContact CD1-CB 4.46Å; F217-L266 HydrophobicContact CD1-CD1 4.12Å; F217-L266 HydrophobicContact CD1-CG 4.44Å; F217-L266 PolarHBondContact N-O 3Å; F217-L266 PolarHBondContact O-N 3.04Å; I264-L266 HydrophobicContact CG2-CD1 4.07Å; I264-L266 HydrophobicContact CG2-CD2 4.04Å; I264-L266 HydrophobicContact CG2-CG 3.81Å; L266-L271 HydrophobicContact CB-CD2 4.41Å; L266-L271 HydrophobicContact CD1-CD2 4.31Å; L266-Y279 HydrophobicContact CD1-CD1 4.04Å; L266-Y279 HydrophobicContact CD1-CE1 3.54Å; L266-Y279 HydrophobicContact CD1-CE2 4.36Å; L266-Y279 HydrophobicContact CD2-CD1 3.73Å; L266-Y279 HydrophobicContact CD2-CE1 3.52Å; L266-Y279 HydrophobicContact CG-CD1 4.47Å; L266-Y279 HydrophobicContact CG-CE1 4.19Å; L266-L298 HydrophobicContact CD1-CD1 3.53Å
267	R	89.2	Confident	86.6	Confident	130 Å²	130	42.1 Å²	42.1	49%	0.491	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	127.1	172.4	-61.7	-171.3	-62.5	-150.6	-4.7	109.2	T216 K269 D270	T216-R267 HydrophobicContact CG2-CG 4.04Å; R267-K269 VanDerWaalsContact C-N 3.3Å; R267-K269 HydrophobicContact CB-CG 4.34Å; R267-K269 PolarHBondContact O-N 3.34Å; R267-D270 IonicContact CZ-OD2 2.78Å; R267-D270 IonicContact NE-OD2 3.03Å; R267-D270 PolarHBondContact NE-OD2 3.4Å; R267-D270 IonicContact NH2-OD2 3.72Å; R267-D270 PolarHBondContact NH2-OD2 2.95Å; R267-D270 PolarHBondContact O-N 3.44Å
268	L	88.3	Confident	87.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-61.6	-37.5	-173.6	-61.5	-166	0	0	0	112.6	L130 F209 L212 T215 F217 D270 L271 F300	L130-L268 HydrophobicContact CD2-CD2 3.79Å; F209-L268 HydrophobicContact CB-CD1 4.41Å; F209-L268 HydrophobicContact CD1-CD1 3.78Å; F209-L268 HydrophobicContact CD2-CD1 4.1Å; F209-L268 HydrophobicContact CE1-CD1 3.97Å; F209-L268 HydrophobicContact CE2-CD1 4.3Å; F209-L268 HydrophobicContact CG-CD1 3.84Å; F209-L268 HydrophobicContact CZ-CD1 4.23Å; L212-L268 HydrophobicContact CD2-CB 4.03Å; T215-L268 HydrophobicContact CG2-CD1 3.45Å; T215-L268 VanDerWaalsContact CG2-CD1 3.45Å; T215-L268 HydrophobicContact CG2-CG 4Å; T215-L268 PolarHBondContact O-N 3.24Å; F217-L268 HydrophobicContact CB-CD2 3.85Å; L268-D270 PolarHBondContact O-N 3.26Å; L268-D270 VanDerWaalsContact O-N 3.12Å; L268-L271 HydrophobicContact CD2-CD1 3.99Å; L268-L271 PolarHBondContact O-N 3.47Å; L268-F300 HydrophobicContact CB-CE1 4.32Å; L268-F300 HydrophobicContact CB-CZ 4.18Å; L268-F300 HydrophobicContact CD1-CE1 4.43Å
269	K	84.8	Confident	88.4	Confident	100 Å²	100	42.4 Å²	42.4	44%	0.435	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-58.8	-21.7	176	71.1	-174.9	177.8	-163.7	0	115.6	L212 R267	L212-K269 PolarHBondContact O-N 3.5Å; R267-K269 VanDerWaalsContact C-N 3.3Å; R267-K269 HydrophobicContact CB-CG 4.34Å; R267-K269 PolarHBondContact O-N 3.34Å
270	D	86.5	Confident	88.8	Confident	65 Å²	65	48.3 Å²	48.3	35%	0.348	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-88.7	-17.2	-176.5	-69.2	-31.6	0	0	0	112.4	K86 R267 L268	K86-D270 PolarHBondContact NZ-O 2.8Å; R267-D270 IonicContact CZ-OD2 2.78Å; R267-D270 IonicContact NE-OD2 3.03Å; R267-D270 PolarHBondContact NE-OD2 3.4Å; R267-D270 IonicContact NH2-OD2 3.72Å; R267-D270 PolarHBondContact NH2-OD2 2.95Å; R267-D270 PolarHBondContact O-N 3.44Å; L268-D270 PolarHBondContact O-N 3.26Å; L268-D270 VanDerWaalsContact O-N 3.12Å
271	L	86.9	Confident	89	Confident	9 Å²	9	47.4 Å²	47.4	5%	0.047	22%	0.223	C	C	.	.	S	Bend	trans	-78.8	152.2	-174.8	-60.9	177	0	0	0	113.3	G85 K86 L266 L268 E275 L298 F300	G85-L271 WeakPolarHBondContact CA-O 3.5Å; K86-L271 PolarHBondContact N-O 3.34Å; L266-L271 HydrophobicContact CB-CD2 4.41Å; L266-L271 HydrophobicContact CD1-CD2 4.31Å; L268-L271 HydrophobicContact CD2-CD1 3.99Å; L268-L271 PolarHBondContact O-N 3.47Å; L271-E275 WeakPolarHBondContact CA-OE1 3.41Å; L271-L298 HydrophobicContact CD1-CD1 4.02Å; L271-L298 HydrophobicContact CD2-CD1 4.11Å; L271-F300 HydrophobicContact CB-CE2 3.83Å; L271-F300 HydrophobicContact CB-CZ 4.12Å; L271-F300 HydrophobicContact CD1-CZ 4.25Å
272	H	85.9	Confident	89.1	Confident	75 Å²	75	53 Å²	53	35%	0.347	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-78.8	167.2	168.6	-59.9	77.8	0	0	0	111.6	K86 T274 E275 F300	K86-H272 CarbonylContact O-C 3.5Å; K86-H272 WeakPolarHBondContact O-CA 3.3Å; K86-H272 VanDerWaalsContact O-CB 3.3Å; K86-H272 WeakPolarHBondContact O-CB 3.39Å; H272-T274 PolarHBondContact O-N 3.38Å; H272-E275 HydrophobicContact CB-CG 3.76Å; H272-E275 IonicContact CE1-OE1 3.62Å; H272-E275 IonicContact CG-OE1 2.77Å; H272-E275 PolarHBondContact N-OE1 2.87Å; H272-E275 IonicContact ND1-OE1 2.81Å; H272-E275 PolarHBondContact ND1-OE1 2.99Å; H272-F300 WeakPolarHBondContact O-CD2 3.45Å; H272-F300 WeakPolarHBondContact O-CE2 3.45Å
273	C	83.9	Confident	88.8	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	-55.1	-37.4	177.5	-58.4	0	0	0	0	112.1	M84 K86 F300 T357	M84-C273 PolarHBondContact O-SG 3.07Å; K86-C273 PolarHBondContact O-N 3.44Å; K86-C273 PolarHBondContact O-SG 3.43Å; C273-F300 PolarHBondContact O-N 3.43Å; C273-T357 HydrophobicContact CB-CG2 4.24Å
274	T	86.4	Confident	87.8	Confident	49 Å²	49	60.1 Å²	60.1	30%	0.301	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	134.9	172.9	-52.1	0	0	0	0	109	H272 F297 L298 Q299 T357	H272-T274 PolarHBondContact O-N 3.38Å; T274-F297 HydrophobicContact CG2-CD2 4.34Å; T274-F297 HydrophobicContact CG2-CE2 3.33Å; T274-F297 HydrophobicContact CG2-CZ 3.49Å; T274-F297 VanDerWaalsContact CG2-CZ 3.49Å; T274-L298 CarbonylContact C-O 3.56Å; T274-L298 WeakPolarHBondContact CA-O 3.26Å; T274-Q299 HydrophobicContact CG2-CB 4.46Å; T274-T357 WeakPolarHBondContact OG1-CG2 3.28Å
275	E	87.3	Confident	86.5	Confident	23 Å²	23	63.7 Å²	63.7	11%	0.107	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	131.8	175.9	-69.8	-161.8	-173.5	0	0	111.3	L271 H272 N277 Y279 F297 L298	L271-E275 WeakPolarHBondContact CA-OE1 3.41Å; H272-E275 HydrophobicContact CB-CG 3.76Å; H272-E275 IonicContact CE1-OE1 3.62Å; H272-E275 IonicContact CG-OE1 2.77Å; H272-E275 PolarHBondContact N-OE1 2.87Å; H272-E275 IonicContact ND1-OE1 2.81Å; H272-E275 PolarHBondContact ND1-OE1 2.99Å; E275-N277 PolarHBondContact OE2-ND2 2.98Å; E275-N277 VanDerWaalsContact OE2-ND2 3.1Å; E275-Y279 PolarHBondContact OE2-OH 3.19Å; E275-F297 CarbonylContact O-C 3.52Å; E275-F297 VanDerWaalsContact O-CA 3.27Å; E275-F297 WeakPolarHBondContact O-CA 3.24Å; E275-L298 HydrophobicContact CB-CB 4.46Å; E275-L298 PolarHBondContact N-O 3.04Å; E275-L298 PolarHBondContact O-N 2.91Å
276	D	91.1	Very high	85.1	Confident	77 Å²	77	70.1 Å²	70.1	41%	0.412	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	86.7	174.5	-162.7	20.2	0	0	0	109.2	K135 H295 F297	K135-D276 IonicContact NZ-OD1 3.66Å; K135-D276 PolarHBondContact NZ-OD1 3.07Å; K135-D276 IonicContact NZ-OD2 3.13Å; K135-D276 PolarHBondContact NZ-OD2 2.73Å; D276-H295 IonicContact OD1-CD2 3.72Å; D276-H295 IonicContact OD1-CE1 3.01Å; D276-H295 IonicContact OD1-NE2 2.83Å; D276-H295 PolarHBondContact OD1-NE2 3.43Å; D276-F297 HydrophobicContact CB-CD2 3.86Å
277	N	93	Very high	83.6	Confident	72 Å²	72	73.7 Å²	73.7	39%	0.385	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	149.7	-162.9	-74.9	-38.8	0	0	0	113	E275 Y279 H295 L296	E275-N277 PolarHBondContact OE2-ND2 2.98Å; E275-N277 VanDerWaalsContact OE2-ND2 3.1Å; N277-Y279 HydrophobicContact CB-CD2 4.4Å; N277-Y279 HydrophobicContact CB-CE2 3.71Å; N277-Y279 VanDerWaalsContact O-CD2 3.24Å; N277-Y279 WeakPolarHBondContact O-CD2 3.29Å; N277-Y279 WeakPolarHBondContact O-CE2 3.48Å; N277-H295 PolarHBondContact O-CD2 2.97Å; N277-L296 PolarHBondContact N-O 3.46Å; N277-L296 VanDerWaalsContact N-O 3.08Å; N277-L296 PolarHBondContact O-N 3.45Å
278	W	93.8	Very high	82.5	Confident	91 Å²	91	73.5 Å²	73.5	35%	0.345	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	121.6	168	-74.8	88.1	0	0	0	110.5	E136 K138 Q293 H295	E136-W278 HydrophobicContact CG-CH2 3.59Å; E136-W278 HydrophobicContact CG-CZ2 3.96Å; E136-W278 WeakPolarHBondContact OE1-CH2 3.39Å; E136-W278 WeakPolarHBondContact OE1-CZ2 3.14Å; K138-W278 HydrophobicContact CB-CH2 4.2Å; K138-W278 HydrophobicContact CB-CZ3 4.02Å; K138-W278 HydrophobicContact CD-CH2 3.43Å; K138-W278 VanDerWaalsContact CD-CH2 3.43Å; K138-W278 HydrophobicContact CD-CZ2 4Å; K138-W278 HydrophobicContact CD-CZ3 4.07Å; K138-W278 HydrophobicContact CG-CH2 3.64Å; K138-W278 HydrophobicContact CG-CZ3 3.98Å; K138-W278 VanDerWaalsContact NZ-CZ2 3.29Å; W278-Q293 HydrophobicContact CE3-CB 3.78Å; W278-Q293 HydrophobicContact CZ3-CB 4.37Å; W278-H295 HydrophobicContact CD2-CB 3.8Å; W278-H295 AromaticContact CE2-CG 3.77Å; W278-H295 AromaticContact CE2-ND1 3.98Å; W278-H295 HydrophobicContact CE3-CB 3.84Å; W278-H295 HydrophobicContact CH2-CB 3.75Å; W278-H295 HydrophobicContact CZ2-CB 3.7Å; W278-H295 AromaticContact CZ2-CG 3.95Å; W278-H295 AromaticContact CZ2-ND1 3.9Å; W278-H295 HydrophobicContact CZ3-CB 3.82Å; W278-H295 AromaticContact NE1-CG 3.91Å; W278-H295 AromaticContact NE1-ND1 3.99Å
279	Y	92.8	Very high	81.4	Confident	30 Å²	30	78.9 Å²	78.9	12%	0.118	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.6	178.2	-65.5	-86	0	0	0	110.5	I264 L266 E275 N277 Q293 C294 L296 L298	I264-Y279 HydrophobicContact CG2-CD1 4.3Å; I264-Y279 HydrophobicContact CG2-CG 4.23Å; L266-Y279 HydrophobicContact CD1-CD1 4.04Å; L266-Y279 HydrophobicContact CD1-CE1 3.54Å; L266-Y279 HydrophobicContact CD1-CE2 4.36Å; L266-Y279 HydrophobicContact CD2-CD1 3.73Å; L266-Y279 HydrophobicContact CD2-CE1 3.52Å; L266-Y279 HydrophobicContact CG-CD1 4.47Å; L266-Y279 HydrophobicContact CG-CE1 4.19Å; E275-Y279 PolarHBondContact OE2-OH 3.19Å; N277-Y279 HydrophobicContact CB-CD2 4.4Å; N277-Y279 HydrophobicContact CB-CE2 3.71Å; N277-Y279 VanDerWaalsContact O-CD2 3.24Å; N277-Y279 WeakPolarHBondContact O-CD2 3.29Å; N277-Y279 WeakPolarHBondContact O-CE2 3.48Å; Y279-Q293 CarbonylContact O-C 3.57Å; Y279-Q293 WeakPolarHBondContact O-CA 3.48Å; Y279-Q293 WeakPolarHBondContact O-CB 3.35Å; Y279-C294 PolarHBondContact N-O 3.07Å; Y279-C294 PolarHBondContact O-N 2.68Å; Y279-L296 HydrophobicContact CD2-CB 3.84Å; Y279-L296 HydrophobicContact CD2-CD1 3.86Å; Y279-L296 HydrophobicContact CD2-CG 3.93Å; Y279-L296 HydrophobicContact CE2-CB 3.83Å; Y279-L296 HydrophobicContact CE2-CD1 4.3Å; Y279-L296 HydrophobicContact CE2-CG 4.4Å; Y279-L296 HydrophobicContact CG-CD1 4.45Å; Y279-L298 HydrophobicContact CE2-CD1 4.26Å; Y279-L298 WeakPolarHBondContact OH-CD1 3.46Å
280	K	91	Very high	81	Confident	156 Å²	156	79.7 Å²	79.7	68%	0.678	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	134.7	176.4	-69.4	179.2	-179.5	177.4	0	110.1	E282 Q293	K280-E282 PolarHBondContact O-N 3.49Å; K280-Q293 HydrophobicContact CG-CG 4.06Å
281	L	90.2	Very high	80.8	Confident	6 Å²	6	77.1 Å²	77.1	3%	0.031	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-76.1	118.8	175.1	-73.2	167.1	0	0	0	109.6	I140 M221 I264 R291 G292 C294	I140-L281 HydrophobicContact CG2-CD1 4.01Å; M221-L281 HydrophobicContact CB-CD2 4.28Å; M221-L281 HydrophobicContact CE-CD1 3.93Å; M221-L281 HydrophobicContact CE-CD2 4.13Å; M221-L281 HydrophobicContact SD-CD1 3.87Å; I264-L281 HydrophobicContact CD1-CD2 4.02Å; I264-L281 HydrophobicContact CG1-CD2 4.11Å; L281-R291 HydrophobicContact CB-CB 3.74Å; L281-R291 VanDerWaalsContact CD1-O 3.31Å; L281-R291 WeakPolarHBondContact CD1-O 3.43Å; L281-G292 PolarHBondContact N-O 3.4Å; L281-G292 VanDerWaalsContact N-O 3.09Å; L281-C294 HydrophobicContact CD2-CB 4.45Å
282	E	87.4	Confident	80.9	Confident	116 Å²	116	76.8 Å²	76.8	54%	0.542	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-83.5	141.7	178.1	-63.4	-165.6	158.6	0	0	111.4	G262 N263 K280	G262-E282 CarbonylContact C-O 3.5Å; G262-E282 VanDerWaalsContact CA-O 3.27Å; G262-E282 WeakPolarHBondContact CA-O 3.45Å; N263-E282 PolarHBondContact N-O 3.43Å; N263-E282 PolarHBondContact O-N 3.02Å; N263-E282 PolarHBondContact OD1-O 3.45Å; K280-E282 PolarHBondContact O-N 3.49Å
283	P	82.4	Confident	81.3	Confident	47 Å²	47	76.7 Å²	76.7	31%	0.305	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-87.9	142.9	177.7	35	-34.9	0	0	0	112	T285 R291	P283-T285 VanDerWaalsContact C-N 3.25Å; P283-T285 WeakPolarHBondContact CB-O 3.46Å; P283-T285 PolarHBondContact O-N 3Å; P283-R291 HydrophobicContact CB-CG 4.07Å
284	R	70.4	Confident	81.8	Confident	129 Å²	129	76.7 Å²	76.7	49%	0.487	38%	0.38	S	S	.	.	S	Bend	trans	-71.7	-15.2	167.9	-82.1	176	175.3	169.2	-1.5	114.3	E220 W222 F260	E220-R284 IonicContact OE1-CZ 3.79Å; E220-R284 IonicContact OE1-NH2 2.81Å; E220-R284 PolarHBondContact OE1-NH2 2.92Å; E220-R284 IonicContact OE2-CZ 2.71Å; E220-R284 IonicContact OE2-NH2 3.71Å; E220-R284 PolarHBondContact OE2-NH2 3.38Å; W222-R284 VanDerWaalsContact CZ2-NH1 3.3Å; F260-R284 HydrophobicContact CD1-CB 4.15Å; F260-R284 HydrophobicContact CD1-CG 4.03Å; F260-R284 HydrophobicContact CE1-CB 3.89Å; F260-R284 HydrophobicContact CE1-CG 3.49Å; F260-R284 VanDerWaalsContact CE1-CG 3.49Å; F260-R284 HydrophobicContact CE2-CG 4.36Å; F260-R284 HydrophobicContact CZ-CG 3.66Å
285	T	64.4	Low	82.2	Confident	79 Å²	79	75.6 Å²	75.6	49%	0.485	37%	0.371	S	S	.	.	S	Bend	trans	-143.2	142	-179.1	57.2	0	0	0	0	110.7	P283 T287	P283-T285 VanDerWaalsContact C-N 3.25Å; P283-T285 WeakPolarHBondContact CB-O 3.46Å; P283-T285 PolarHBondContact O-N 3Å; T285-T287 PolarHBondContact O-N 3.29Å; T285-T287 PolarHBondContact OG1-OG1 2.97Å
286	E	61.2	Low	82.6	Confident	193 Å²	193	74.5 Å²	74.5	90%	0.902	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-6.5	-175.6	-64.2	179.6	177.3	0	0	114.8	Y288	E286-Y288 VanDerWaalsContact C-N 3.28Å; E286-Y288 PolarHBondContact O-N 3.45Å
287	T	58.9	Low	82.7	Confident	101 Å²	101	72.9 Å²	72.9	62%	0.62	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-23.9	-172.8	-12.2	0	0	0	0	115.1	T285	T285-T287 PolarHBondContact O-N 3.29Å; T285-T287 PolarHBondContact OG1-OG1 2.97Å
288	Y	66.7	Low	82.6	Confident	125 Å²	125	69.6 Å²	69.6	49%	0.49	34%	0.338	S	S	.	.			trans	-146.2	105.4	173.1	-53.3	-91.9	0	0	0	109.3	E286 R291	E286-Y288 VanDerWaalsContact C-N 3.28Å; E286-Y288 PolarHBondContact O-N 3.45Å; Y288-R291 PolarHBondContact O-NE 3.31Å
289	P	65.1	Low	82.5	Confident	114 Å²	114	66.1 Å²	66.1	74%	0.74	33%	0.326	S	S	*	.	S	Bend	trans	-79	-25.6	-173.2	28.2	-33.5	0	0	0	113.8
290	N	76.1	Confident	82.4	Confident	117 Å²	117	64.9 Å²	64.9	63%	0.626	32%	0.321	S	S	*	.			trans	-100.7	114.6	176.8	-164.2	5.5	0	0	0	110.1	G292	N290-G292 PolarHBondContact OD1-N 2.84Å
291	R	81.9	Confident	82.3	Confident	10 Å²	10	58 Å²	58	4%	0.038	29%	0.291	C	S	.	.			trans	-116.9	8.2	-177.2	-60.5	-66.6	-176.1	162.2	4	113.1	L261 L281 P283 Y288	L261-R291 WeakPolarHBondContact O-CD 3.39Å; L281-R291 HydrophobicContact CB-CB 3.74Å; L281-R291 VanDerWaalsContact CD1-O 3.31Å; L281-R291 WeakPolarHBondContact CD1-O 3.43Å; P283-R291 HydrophobicContact CB-CG 4.07Å; Y288-R291 PolarHBondContact O-NE 3.31Å
292	G	89.3	Confident	82.3	Confident	3 Å²	3	58.7 Å²	58.7	3%	0.031	29%	0.294	C	S	.	.			trans	84.4	-166.5	-172.3	0	0	0	0	0	112.6	K138 E139 L281 N290	K138-G292 VanDerWaalsContact O-CA 3.25Å; K138-G292 WeakPolarHBondContact O-CA 3.31Å; E139-G292 VanDerWaalsContact O-CA 3.23Å; E139-G292 WeakPolarHBondContact O-CA 3.39Å; E139-G292 PolarHBondContact O-N 3.46Å; L281-G292 PolarHBondContact N-O 3.4Å; L281-G292 VanDerWaalsContact N-O 3.09Å; N290-G292 PolarHBondContact OD1-N 2.84Å
293	Q	93.8	Very high	81.9	Confident	72 Å²	72	58 Å²	58	34%	0.336	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	152	-177	-56.8	-175.3	-12.2	0	0	110.6	A137 K138 W278 Y279 K280	A137-Q293 CarbonylContact C-O 3.59Å; A137-Q293 WeakPolarHBondContact CA-O 3.33Å; A137-Q293 VanDerWaalsContact CB-O 3.29Å; A137-Q293 WeakPolarHBondContact CB-O 3.49Å; K138-Q293 PolarHBondContact N-O 3.02Å; K138-Q293 PolarHBondContact O-N 3.29Å; W278-Q293 HydrophobicContact CE3-CB 3.78Å; W278-Q293 HydrophobicContact CZ3-CB 4.37Å; Y279-Q293 CarbonylContact O-C 3.57Å; Y279-Q293 WeakPolarHBondContact O-CA 3.48Å; Y279-Q293 WeakPolarHBondContact O-CB 3.35Å; K280-Q293 HydrophobicContact CG-CG 4.06Å
294	C	94.1	Very high	81.3	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	131.4	174.2	-171.2	0	0	0	0	110.3	E136 A137 M221 I264 Y279 L281	E136-C294 PolarHBondContact O-SG 2.66Å; A137-C294 HydrophobicContact CB-CB 4.23Å; M221-C294 HydrophobicContact CE-CB 4.08Å; I264-C294 HydrophobicContact CD1-CB 3.74Å; Y279-C294 PolarHBondContact N-O 3.07Å; Y279-C294 PolarHBondContact O-N 2.68Å; L281-C294 HydrophobicContact CD2-CB 4.45Å
295	H	96.1	Very high	81.6	Confident	26 Å²	26	55.5 Å²	55.5	12%	0.12	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	115.5	176.6	-170	-169.4	0	0	0	109.4	K135 E136 D276 N277 W278	K135-H295 HydrophobicContact CB-CB 4.23Å; K135-H295 PolarHBondContact N-O 3.12Å; E136-H295 HydrophobicContact CG-CB 3.92Å; E136-H295 WeakPolarHBondContact O-CB 3.47Å; E136-H295 PolarHBondContact O-N 3.23Å; D276-H295 IonicContact OD1-CD2 3.72Å; D276-H295 IonicContact OD1-CE1 3.01Å; D276-H295 IonicContact OD1-NE2 2.83Å; D276-H295 PolarHBondContact OD1-NE2 3.43Å; N277-H295 PolarHBondContact O-CD2 2.97Å; W278-H295 HydrophobicContact CD2-CB 3.8Å; W278-H295 AromaticContact CE2-CG 3.77Å; W278-H295 AromaticContact CE2-ND1 3.98Å; W278-H295 HydrophobicContact CE3-CB 3.84Å; W278-H295 HydrophobicContact CH2-CB 3.75Å; W278-H295 HydrophobicContact CZ2-CB 3.7Å; W278-H295 AromaticContact CZ2-CG 3.95Å; W278-H295 AromaticContact CZ2-ND1 3.9Å; W278-H295 HydrophobicContact CZ3-CB 3.82Å; W278-H295 AromaticContact NE1-CG 3.91Å; W278-H295 AromaticContact NE1-ND1 3.99Å
296	L	94.4	Very high	81.7	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	134.7	179.6	-55.1	177.3	0	0	0	109.7	V134 F217 L219 I264 N277 Y279 L298	V134-L296 HydrophobicContact CB-CD2 4.26Å; V134-L296 HydrophobicContact CG1-CD2 4.13Å; V134-L296 HydrophobicContact CG2-CD2 3.99Å; F217-L296 HydrophobicContact CE1-CD1 4.1Å; L219-L296 HydrophobicContact CD1-CD1 4.1Å; L219-L296 HydrophobicContact CD1-CD2 3.65Å; I264-L296 HydrophobicContact CD1-CD1 4.08Å; I264-L296 HydrophobicContact CG2-CD1 4.41Å; N277-L296 PolarHBondContact N-O 3.46Å; N277-L296 VanDerWaalsContact N-O 3.08Å; N277-L296 PolarHBondContact O-N 3.45Å; Y279-L296 HydrophobicContact CD2-CB 3.84Å; Y279-L296 HydrophobicContact CD2-CD1 3.86Å; Y279-L296 HydrophobicContact CD2-CG 3.93Å; Y279-L296 HydrophobicContact CE2-CB 3.83Å; Y279-L296 HydrophobicContact CE2-CD1 4.3Å; Y279-L296 HydrophobicContact CE2-CG 4.4Å; Y279-L296 HydrophobicContact CG-CD1 4.45Å; L296-L298 HydrophobicContact CB-CD2 4.19Å; L296-L298 HydrophobicContact CB-CG 4.35Å
297	F	93.3	Very high	81.9	Confident	44 Å²	44	46.6 Å²	46.6	19%	0.193	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	117.7	164.4	173.6	-94.2	0	0	0	108.8	M131 V132 T133 K135 T274 E275 D276 Q299	M131-F297 HydrophobicContact CE-CE1 4.38Å; V132-F297 CarbonylContact C-O 3.5Å; V132-F297 WeakPolarHBondContact CA-O 3.43Å; T133-F297 PolarHBondContact N-O 3.25Å; T133-F297 PolarHBondContact O-N 2.92Å; K135-F297 HydrophobicContact CD-CB 4.49Å; T274-F297 HydrophobicContact CG2-CD2 4.34Å; T274-F297 HydrophobicContact CG2-CE2 3.33Å; T274-F297 HydrophobicContact CG2-CZ 3.49Å; T274-F297 VanDerWaalsContact CG2-CZ 3.49Å; E275-F297 CarbonylContact O-C 3.52Å; E275-F297 VanDerWaalsContact O-CA 3.27Å; E275-F297 WeakPolarHBondContact O-CA 3.24Å; D276-F297 HydrophobicContact CB-CD2 3.86Å; F297-Q299 HydrophobicContact CE1-CB 4.04Å; F297-Q299 HydrophobicContact CZ-CB 4.3Å
298	L	91.7	Very high	82.4	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	131.9	-176.2	-53.8	176.3	0	0	0	108.9	L130 M131 V132 L266 L271 T274 E275 Y279 L296	L130-L298 HydrophobicContact CD1-CB 4.36Å; M131-L298 CarbonylContact O-C 3.56Å; M131-L298 WeakPolarHBondContact O-CA 3.39Å; V132-L298 HydrophobicContact CB-CD2 4.07Å; V132-L298 HydrophobicContact CG1-CD2 3.67Å; V132-L298 HydrophobicContact CG2-CD2 3.64Å; L266-L298 HydrophobicContact CD1-CD1 3.53Å; L271-L298 HydrophobicContact CD1-CD1 4.02Å; L271-L298 HydrophobicContact CD2-CD1 4.11Å; T274-L298 CarbonylContact C-O 3.56Å; T274-L298 WeakPolarHBondContact CA-O 3.26Å; E275-L298 HydrophobicContact CB-CB 4.46Å; E275-L298 PolarHBondContact N-O 3.04Å; E275-L298 PolarHBondContact O-N 2.91Å; Y279-L298 HydrophobicContact CE2-CD1 4.26Å; Y279-L298 WeakPolarHBondContact OH-CD1 3.46Å; L296-L298 HydrophobicContact CB-CD2 4.19Å; L296-L298 HydrophobicContact CB-CG 4.35Å
299	Q	90.4	Very high	82.7	Confident	18 Å²	18	41.2 Å²	41.2	8%	0.084	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	131.9	178.1	-177.8	-176.4	-25.2	0	0	110.1	M131 T274 F297 I301 D360	M131-Q299 HydrophobicContact CB-CB 4.42Å; M131-Q299 WeakPolarHBondContact CB-O 3.41Å; M131-Q299 HydrophobicContact CE-CB 4.03Å; M131-Q299 HydrophobicContact CE-CG 4.26Å; M131-Q299 PolarHBondContact N-O 2.81Å; M131-Q299 PolarHBondContact O-N 2.78Å; T274-Q299 HydrophobicContact CG2-CB 4.46Å; F297-Q299 HydrophobicContact CE1-CB 4.04Å; F297-Q299 HydrophobicContact CZ-CB 4.3Å; Q299-I301 HydrophobicContact CG-CG2 3.99Å; Q299-D360 PolarHBondContact NE2-OD1 2.9Å
300	F	90.6	Very high	82.8	Confident	3 Å²	3	36.6 Å²	36.6	1%	0.013	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	128.2	171.6	-69.5	-74.1	0	0	0	110.4	M84 L130 F209 L212 L268 L271 H272 C273 T357	M84-F300 HydrophobicContact CB-CB 3.88Å; M84-F300 HydrophobicContact CB-CD1 4.32Å; M84-F300 HydrophobicContact CB-CD2 4.39Å; M84-F300 HydrophobicContact CB-CG 3.97Å; M84-F300 HydrophobicContact CE-CB 3.73Å; M84-F300 HydrophobicContact SD-CB 4.01Å; M84-F300 HydrophobicContact SD-CD1 4.11Å; M84-F300 HydrophobicContact SD-CG 4.36Å; L130-F300 HydrophobicContact CD1-CD1 4Å; L130-F300 HydrophobicContact CD1-CE1 3.88Å; L130-F300 HydrophobicContact CD1-CG 4.45Å; L130-F300 HydrophobicContact CD1-CZ 4.24Å; F209-F300 AromaticContact CE1-CD1 3.94Å; F209-F300 HydrophobicContact CE1-CD1 3.94Å; F209-F300 AromaticContact CE1-CE1 3.97Å; F209-F300 HydrophobicContact CE1-CE1 3.97Å; F209-F300 AromaticContact CZ-CD1 3.83Å; F209-F300 HydrophobicContact CZ-CD1 3.83Å; F209-F300 AromaticContact CZ-CE1 3.81Å; F209-F300 HydrophobicContact CZ-CE1 3.81Å; L212-F300 HydrophobicContact CD2-CD1 4.4Å; L212-F300 HydrophobicContact CD2-CE1 3.67Å; L212-F300 HydrophobicContact CD2-CZ 4Å; L268-F300 HydrophobicContact CB-CE1 4.32Å; L268-F300 HydrophobicContact CB-CZ 4.18Å; L268-F300 HydrophobicContact CD1-CE1 4.43Å; L271-F300 HydrophobicContact CB-CE2 3.83Å; L271-F300 HydrophobicContact CB-CZ 4.12Å; L271-F300 HydrophobicContact CD1-CZ 4.25Å; H272-F300 WeakPolarHBondContact O-CD2 3.45Å; H272-F300 WeakPolarHBondContact O-CE2 3.45Å; C273-F300 PolarHBondContact O-N 3.43Å; F300-T357 CarbonylContact O-C 3.59Å
301	I	90.8	Very high	82.7	Confident	12 Å²	12	34 Å²	34	6%	0.062	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	157.4	179	70	174.3	0	0	0	110.5	C129 M131 I206 Q299 D360	C129-I301 HydrophobicContact CB-CD1 4.42Å; C129-I301 HydrophobicContact CB-CG1 3.69Å; C129-I301 PolarHBondContact N-O 2.64Å; C129-I301 PolarHBondContact O-N 2.93Å; M131-I301 HydrophobicContact CB-CD1 4.07Å; M131-I301 HydrophobicContact CB-CG1 4.39Å; M131-I301 HydrophobicContact CB-CG2 4.34Å; M131-I301 HydrophobicContact CE-CG2 4.29Å; M131-I301 HydrophobicContact SD-CD1 4.41Å; I206-I301 HydrophobicContact CD1-CD1 4.17Å; I206-I301 HydrophobicContact CG1-CD1 4.32Å; I206-I301 HydrophobicContact CG2-CD1 4.22Å; Q299-I301 HydrophobicContact CG-CG2 3.99Å; I301-D360 HydrophobicContact CG2-CB 4.16Å
302	H	89.2	Confident	82.2	Confident	20 Å²	20	37.3 Å²	37.3	9%	0.093	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	135.7	172	-69.5	159.5	0	0	0	111.2	H82 M84 P126 Y128 R305 Q358	H82-H302 PolarHBondContact O-CE1 2.86Å; H82-H302 VanDerWaalsContact O-CE1 3.28Å; H82-H302 PolarHBondContact O-NE2 3.28Å; M84-H302 WeakPolarHBondContact CE-CD2 3.1Å; M84-H302 WeakPolarHBondContact CE-NE2 3.46Å; P126-H302 HydrophobicContact CB-CB 3.88Å; Y128-H302 AromaticContact CD1-CD2 3.74Å; Y128-H302 AromaticContact CD1-NE2 3.54Å; Y128-H302 AromaticContact CE1-NE2 3.61Å; H302-R305 HydrophobicContact CB-CG 3.79Å; H302-Q358 WeakPolarHBondContact CB-O 3.35Å; H302-Q358 PolarHBondContact CE1-OE1 3.27Å; H302-Q358 VanDerWaalsContact CE1-OE1 3.3Å; H302-Q358 PolarHBondContact N-O 3.43Å; H302-Q358 PolarHBondContact ND1-OE1 3.09Å
303	K	79.6	Confident	81.8	Confident	101 Å²	101	40 Å²	40	44%	0.439	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	147.2	170.3	-173.4	178.8	176.5	-171.4	0	109.5	I127 E208 R305	I127-K303 HydrophobicContact CB-CB 4.11Å; I127-K303 VanDerWaalsContact CB-O 3.3Å; I127-K303 WeakPolarHBondContact CB-O 3.48Å; I127-K303 HydrophobicContact CG2-CB 4.41Å; I127-K303 PolarHBondContact N-O 3.47Å; I127-K303 PolarHBondContact O-N 3.41Å; E208-K303 WeakPolarHBondContact OE1-CD 3.4Å; E208-K303 IonicContact OE1-NZ 2.65Å; E208-K303 PolarHBondContact OE1-NZ 3.14Å; K303-R305 PolarHBondContact O-N 3.42Å
304	A	69.4	Low	81.4	Confident	77 Å²	77	39.5 Å²	39.5	64%	0.636	25%	0.248	S	C	*	.	S	Bend	trans	52.1	48.1	176.8	0	0	0	0	0	115.9	I127	I127-A304 HydrophobicContact CD1-CB 3.74Å; I127-A304 HydrophobicContact CG1-CB 4.2Å
305	R	76	Confident	81	Confident	47 Å²	47	40.8 Å²	40.8	18%	0.177	26%	0.259	C	S	.	.			trans	-63.6	151.1	172.9	-71.1	175	70.4	141.2	-3.7	112.3	E75 Y78 P126 H302 K303 G307 N359	E75-R305 IonicContact OE2-CZ 2.71Å; E75-R305 IonicContact OE2-NH2 2.71Å; E75-R305 PolarHBondContact OE2-NH2 3.38Å; Y78-R305 HydrophobicContact CE1-CG 4.32Å; P126-R305 HydrophobicContact CB-CG 4.03Å; H302-R305 HydrophobicContact CB-CG 3.79Å; K303-R305 PolarHBondContact O-N 3.42Å; R305-G307 PolarHBondContact O-N 3.42Å; R305-G307 VanDerWaalsContact O-N 3.1Å; R305-N359 PolarHBondContact NH1-ND2 3.04Å; R305-N359 PolarHBondContact NH1-OD1 3.35Å
306	D	68.2	Low	80.6	Confident	39 Å²	39	40 Å²	40	21%	0.209	25%	0.254	C	S	.	.			trans	-67.7	103.2	170.5	-176.3	-4.2	0	0	0	111.3	T123 T308	T123-D306 WeakPolarHBondContact CG2-OD2 3.44Å; D306-T308 PolarHBondContact O-N 3.1Å; D306-T308 VanDerWaalsContact OD1-CB 3.25Å; D306-T308 WeakPolarHBondContact OD1-CB 3.46Å; D306-T308 WeakPolarHBondContact OD1-CG2 3.31Å; D306-T308 PolarHBondContact OD1-N 3.39Å; D306-T308 PolarHBondContact OD1-OG1 2.91Å; D306-T308 PolarHBondContact OD2-OG1 3.15Å; D306-T308 VanDerWaalsContact OD2-OG1 3.09Å
307	G	64.7	Low	80.2	Confident	46 Å²	46	42.6 Å²	42.6	47%	0.474	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-3.6	-179.8	0	0	0	0	0	115.2	R305 L309 S310	R305-G307 PolarHBondContact O-N 3.42Å; R305-G307 VanDerWaalsContact O-N 3.1Å; G307-L309 PolarHBondContact O-N 2.53Å; G307-S310 PolarHBondContact O-N 3.14Å
308	T	69.8	Low	80	Confident	104 Å²	104	40.5 Å²	40.5	64%	0.638	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-25.7	178.1	65.6	0	0	0	0	112.3	D306	D306-T308 PolarHBondContact O-N 3.1Å; D306-T308 VanDerWaalsContact OD1-CB 3.25Å; D306-T308 WeakPolarHBondContact OD1-CB 3.46Å; D306-T308 WeakPolarHBondContact OD1-CG2 3.31Å; D306-T308 PolarHBondContact OD1-N 3.39Å; D306-T308 PolarHBondContact OD1-OG1 2.91Å; D306-T308 PolarHBondContact OD2-OG1 3.15Å; D306-T308 VanDerWaalsContact OD2-OG1 3.09Å
309	L	72.3	Confident	80	Confident	9 Å²	9	40.6 Å²	40.6	5%	0.047	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-37	178.2	-65.4	176.3	0	0	0	112.2	K74 E75 Y78 V120 T123 G307 A311	K74-L309 HydrophobicContact CB-CD2 4.28Å; K74-L309 HydrophobicContact CD-CD2 4.08Å; K74-L309 PolarHBondContact NZ-O 2.93Å; K74-L309 VanDerWaalsContact NZ-O 3.08Å; E75-L309 WeakPolarHBondContact OE1-CB 3.44Å; Y78-L309 HydrophobicContact CD2-CD1 3.43Å; Y78-L309 VanDerWaalsContact CD2-CD1 3.43Å; Y78-L309 HydrophobicContact CE2-CD1 4.07Å; Y78-L309 HydrophobicContact CG-CD1 3.9Å; V120-L309 HydrophobicContact CG2-CD2 4.34Å; T123-L309 HydrophobicContact CG2-CD1 3.92Å; T123-L309 HydrophobicContact CG2-CD2 3.74Å; T123-L309 HydrophobicContact CG2-CG 3.94Å; G307-L309 PolarHBondContact O-N 2.53Å; L309-A311 VanDerWaalsContact C-N 3.27Å; L309-A311 PolarHBondContact O-N 2.93Å
310	S	67.8	Low	79.8	Confident	18 Å²	18	40.4 Å²	40.4	13%	0.126	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	1.7	-172.4	-43.4	0	0	0	0	115.3	E75 G307 G312 R313	E75-S310 WeakPolarHBondContact OE1-CA 3.35Å; E75-S310 WeakPolarHBondContact OE1-CB 3.24Å; E75-S310 PolarHBondContact OE1-N 3.35Å; E75-S310 VanDerWaalsContact OE1-N 3.14Å; E75-S310 PolarHBondContact OE1-OG 3.18Å; G307-S310 PolarHBondContact O-N 3.14Å; S310-G312 PolarHBondContact O-N 3.09Å; S310-G312 VanDerWaalsContact O-N 3.08Å; S310-R313 WeakPolarHBondContact O-CB 3.3Å; S310-R313 WeakPolarHBondContact O-CG 3.13Å; S310-R313 PolarHBondContact O-N 2.66Å
311	A	73.8	Confident	79.7	Confident	63 Å²	63	41.1 Å²	41.1	52%	0.521	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	32.8	-175.9	0	0	0	0	0	113.9	P71 L309 R313	P71-A311 HydrophobicContact CB-CB 4.1Å; P71-A311 HydrophobicContact CG-CB 4.08Å; L309-A311 VanDerWaalsContact C-N 3.27Å; L309-A311 PolarHBondContact O-N 2.93Å; A311-R313 VanDerWaalsContact C-N 3.33Å; A311-R313 PolarHBondContact O-N 3.29Å
312	G	70.4	Confident	79.7	Confident	78 Å²	78	40.5 Å²	40.5	80%	0.804	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	6.7	-179.2	0	0	0	0	0	115.8	S310	S310-G312 PolarHBondContact O-N 3.09Å; S310-G312 VanDerWaalsContact O-N 3.08Å
313	R	81.9	Confident	79.7	Confident	59 Å²	59	39.6 Å²	39.6	22%	0.223	26%	0.263	C	S	.	.			trans	-83.2	147.3	177.5	-59.9	170.6	-171.5	-156.9	-6.7	110.7	M67 E68 S310 A311 T317 N318	M67-R313 PolarHBondContact O-NH2 3.37Å; E68-R313 IonicContact OE1-CZ 3.58Å; E68-R313 IonicContact OE1-NH1 3.84Å; E68-R313 IonicContact OE1-NH2 2.62Å; E68-R313 PolarHBondContact OE1-NH2 3.02Å; E68-R313 IonicContact OE2-CZ 2.76Å; E68-R313 VanDerWaalsContact OE2-CZ 3.25Å; E68-R313 IonicContact OE2-NH1 2.66Å; E68-R313 PolarHBondContact OE2-NH1 3.44Å; E68-R313 IonicContact OE2-NH2 2.85Å; E68-R313 PolarHBondContact OE2-NH2 3.47Å; S310-R313 WeakPolarHBondContact O-CB 3.3Å; S310-R313 WeakPolarHBondContact O-CG 3.13Å; S310-R313 PolarHBondContact O-N 2.66Å; A311-R313 VanDerWaalsContact C-N 3.33Å; A311-R313 PolarHBondContact O-N 3.29Å; R313-T317 HydrophobicContact CB-CG2 4.44Å; R313-N318 VanDerWaalsContact CB-OD1 3.26Å; R313-N318 WeakPolarHBondContact CB-OD1 3.38Å; R313-N318 VanDerWaalsContact CD-OD1 3.24Å; R313-N318 WeakPolarHBondContact CD-OD1 3.35Å
314	N	84.8	Confident	80	Confident	62 Å²	62	38.1 Å²	38.1	33%	0.332	26%	0.258	S	S	.	.			trans	-75.8	161.1	172.5	70.8	40.4	0	0	0	111	Y316 T317 N318	N314-Y316 VanDerWaalsContact C-N 3.26Å; N314-Y316 PolarHBondContact O-N 3.38Å; N314-Y316 PolarHBondContact OD1-N 3.45Å; N314-T317 PolarHBondContact O-N 3.36Å; N314-T317 WeakPolarHBondContact OD1-CB 3.48Å; N314-T317 PolarHBondContact OD1-N 3.46Å; N314-T317 PolarHBondContact OD1-OG1 3.43Å; N314-N318 PolarHBondContact O-N 2.97Å; N314-N318 VanDerWaalsContact O-N 3.15Å
315	A	85.9	Confident	80.9	Confident	27 Å²	27	35.5 Å²	35.5	22%	0.223	23%	0.232	C	C	.	.	H	α-helix	trans	-59.3	-35.9	-175.8	0	0	0	0	0	113.3	N318 Y319 Y355 N359 L361	A315-N318 PolarHBondContact O-N 3.19Å; A315-Y319 WeakPolarHBondContact O-CB 3.45Å; A315-Y319 PolarHBondContact O-N 2.95Å; A315-Y355 WeakPolarHBondContact CA-OH 3.43Å; A315-Y355 WeakPolarHBondContact O-CE1 3.49Å; A315-Y355 PolarHBondContact O-OH 2.56Å; A315-N359 HydrophobicContact CB-CB 3.74Å; A315-L361 HydrophobicContact CB-CD2 4.33Å
316	Y	87.9	Confident	81.6	Confident	9 Å²	9	33.3 Å²	33.3	4%	0.035	22%	0.224	C	C	.	.	H	α-helix	trans	-66.9	-43.9	178.2	169.7	-93.9	0	0	0	112.4	N314 N318 Y319 C320 L365 L368 A369 Q408 E411	N314-Y316 VanDerWaalsContact C-N 3.26Å; N314-Y316 PolarHBondContact O-N 3.38Å; N314-Y316 PolarHBondContact OD1-N 3.45Å; Y316-N318 VanDerWaalsContact C-N 3.32Å; Y316-N318 PolarHBondContact O-N 3.32Å; Y316-Y319 WeakPolarHBondContact O-CB 3.47Å; Y316-Y319 PolarHBondContact O-N 3.42Å; Y316-C320 PolarHBondContact O-N 3.36Å; Y316-C320 PolarHBondContact O-SG 3.42Å; Y316-C320 VanDerWaalsContact O-SG 3.36Å; Y316-L365 HydrophobicContact CD2-CB 4.15Å; Y316-L365 HydrophobicContact CD2-CD2 4.27Å; Y316-L365 HydrophobicContact CE2-CB 4.38Å; Y316-L365 HydrophobicContact CE2-CD2 4.3Å; Y316-L365 WeakPolarHBondContact CE2-O 3.46Å; Y316-L368 HydrophobicContact CE2-CD2 4.33Å; Y316-L368 WeakPolarHBondContact OH-CD2 3.25Å; Y316-L368 WeakPolarHBondContact OH-CG 3.49Å; Y316-A369 HydrophobicContact CE2-CB 3.83Å; Y316-Q408 HydrophobicContact CD1-CG 4.27Å; Y316-Q408 HydrophobicContact CE1-CG 4.02Å; Y316-E411 VanDerWaalsContact CE1-OE2 3.31Å; Y316-E411 WeakPolarHBondContact CE1-OE2 3.23Å
317	T	86.6	Confident	82.4	Confident	55 Å²	55	31.4 Å²	31.4	34%	0.337	21%	0.214	S	C	.	.	H	α-helix	trans	-62.6	-41.4	176.4	-62	0	0	0	0	111.1	R313 N314 C320 G321	R313-T317 HydrophobicContact CB-CG2 4.44Å; N314-T317 PolarHBondContact O-N 3.36Å; N314-T317 WeakPolarHBondContact OD1-CB 3.48Å; N314-T317 PolarHBondContact OD1-N 3.46Å; N314-T317 PolarHBondContact OD1-OG1 3.43Å; T317-C320 PolarHBondContact O-N 2.91Å; T317-G321 PolarHBondContact O-N 3.18Å
318	N	88.7	Confident	83.3	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.7	-43.1	173.8	-74.5	-15.8	0	0	0	111.4	L72 R313 N314 A315 Y316 C320 G321 I322 Y355	L72-N318 HydrophobicContact CD2-CB 3.9Å; R313-N318 VanDerWaalsContact CB-OD1 3.26Å; R313-N318 WeakPolarHBondContact CB-OD1 3.38Å; R313-N318 VanDerWaalsContact CD-OD1 3.24Å; R313-N318 WeakPolarHBondContact CD-OD1 3.35Å; N314-N318 PolarHBondContact O-N 2.97Å; N314-N318 VanDerWaalsContact O-N 3.15Å; A315-N318 PolarHBondContact O-N 3.19Å; Y316-N318 VanDerWaalsContact C-N 3.32Å; Y316-N318 PolarHBondContact O-N 3.32Å; N318-C320 PolarHBondContact O-N 3.45Å; N318-G321 PolarHBondContact O-N 2.93Å; N318-G321 VanDerWaalsContact O-N 3.16Å; N318-I322 WeakPolarHBondContact O-CB 3.48Å; N318-I322 VanDerWaalsContact O-CG1 3.22Å; N318-I322 WeakPolarHBondContact O-CG1 3.47Å; N318-I322 PolarHBondContact O-N 3.49Å; N318-Y355 WeakPolarHBondContact CB-OH 3.44Å
319	Y	90.4	Very high	84	Confident	6 Å²	6	29 Å²	29	2%	0.024	19%	0.185	C	C	.	.	H	α-helix	trans	-58.4	-45.9	175.3	-174	-99.2	0	0	0	112.3	A315 Y316 G321 I322 L323 L352 Y355 A356 L361 Q366 A369	A315-Y319 WeakPolarHBondContact O-CB 3.45Å; A315-Y319 PolarHBondContact O-N 2.95Å; Y316-Y319 WeakPolarHBondContact O-CB 3.47Å; Y316-Y319 PolarHBondContact O-N 3.42Å; Y319-G321 VanDerWaalsContact C-N 3.34Å; Y319-G321 PolarHBondContact O-N 2.89Å; Y319-I322 PolarHBondContact O-N 3.4Å; Y319-L323 VanDerWaalsContact O-CB 3.3Å; Y319-L323 WeakPolarHBondContact O-CB 3.25Å; Y319-L323 PolarHBondContact O-N 3.36Å; Y319-L352 HydrophobicContact CD2-CD2 3.97Å; Y319-L352 HydrophobicContact CE2-CB 4.03Å; Y319-L352 HydrophobicContact CE2-CD2 3.53Å; Y319-L352 HydrophobicContact CE2-CG 4.36Å; Y319-Y355 AromaticContact CD2-CD1 3.77Å; Y319-Y355 HydrophobicContact CD2-CD1 3.77Å; Y319-Y355 HydrophobicContact CD2-CE1 4.28Å; Y319-A356 HydrophobicContact CE2-CB 4.02Å; Y319-L361 HydrophobicContact CD1-CD1 4.41Å; Y319-L361 HydrophobicContact CD2-CD1 3.89Å; Y319-L361 HydrophobicContact CG-CD1 3.73Å; Y319-Q366 HydrophobicContact CE1-CB 4.12Å; Y319-Q366 HydrophobicContact CE1-CG 4.16Å; Y319-A369 HydrophobicContact CD1-CB 3.59Å; Y319-A369 HydrophobicContact CE1-CB 3.84Å
320	C	87.4	Confident	84.5	Confident	14 Å²	14	31 Å²	31	10%	0.095	19%	0.192	C	C	.	.	H	α-helix	trans	-57.3	-45	173.9	-69.2	0	0	0	0	112.1	Y316 T317 N318 L323 Q324 A369	Y316-C320 PolarHBondContact O-N 3.36Å; Y316-C320 PolarHBondContact O-SG 3.42Å; Y316-C320 VanDerWaalsContact O-SG 3.36Å; T317-C320 PolarHBondContact O-N 2.91Å; N318-C320 PolarHBondContact O-N 3.45Å; C320-L323 PolarHBondContact O-N 3.42Å; C320-Q324 WeakPolarHBondContact O-CB 3.21Å; C320-Q324 PolarHBondContact O-N 2.99Å; C320-A369 WeakPolarHBondContact SG-CB 3.5Å
321	G	87.8	Confident	84.9	Confident	17 Å²	17	31.9 Å²	31.9	18%	0.175	20%	0.195	C	C	.	.	H	α-helix	trans	-66.6	-42.5	179.4	0	0	0	0	0	113.4	T317 N318 Y319 Q324 Q325	T317-G321 PolarHBondContact O-N 3.18Å; N318-G321 PolarHBondContact O-N 2.93Å; N318-G321 VanDerWaalsContact O-N 3.16Å; Y319-G321 VanDerWaalsContact C-N 3.34Å; Y319-G321 PolarHBondContact O-N 2.89Å; G321-Q324 PolarHBondContact O-N 2.77Å; G321-Q325 PolarHBondContact O-N 3.45Å
322	I	90.3	Very high	85.1	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61	-49.2	175.2	-68.6	163.2	0	0	0	109.7	L72 L76 N318 Y319 Q324 Q325 F326 L352 Y355	L72-I322 HydrophobicContact CB-CG1 4.06Å; L72-I322 HydrophobicContact CD2-CG1 4.15Å; L76-I322 HydrophobicContact CD1-CD1 4.26Å; L76-I322 HydrophobicContact CD1-CG1 3.99Å; L76-I322 HydrophobicContact CD1-CG2 3.91Å; L76-I322 HydrophobicContact CD2-CD1 3.94Å; L76-I322 HydrophobicContact CD2-CG1 4.46Å; L76-I322 HydrophobicContact CD2-CG2 4.06Å; L76-I322 HydrophobicContact CG-CD1 3.91Å; L76-I322 HydrophobicContact CG-CG1 4.21Å; L76-I322 HydrophobicContact CG-CG2 4.42Å; N318-I322 WeakPolarHBondContact O-CB 3.48Å; N318-I322 VanDerWaalsContact O-CG1 3.22Å; N318-I322 WeakPolarHBondContact O-CG1 3.47Å; N318-I322 PolarHBondContact O-N 3.49Å; Y319-I322 PolarHBondContact O-N 3.4Å; I322-Q324 VanDerWaalsContact C-N 3.34Å; I322-Q324 PolarHBondContact O-N 3.46Å; I322-Q325 PolarHBondContact O-N 3.15Å; I322-F326 HydrophobicContact CG2-CD2 3.79Å; I322-F326 HydrophobicContact CG2-CE1 4.36Å; I322-F326 HydrophobicContact CG2-CE2 3.45Å; I322-F326 VanDerWaalsContact CG2-CE2 3.45Å; I322-F326 HydrophobicContact CG2-CG 4.38Å; I322-F326 HydrophobicContact CG2-CZ 3.77Å; I322-F326 WeakPolarHBondContact O-CG 3.42Å; I322-F326 PolarHBondContact O-N 3.23Å; I322-L352 HydrophobicContact CB-CD2 4.45Å; I322-L352 HydrophobicContact CG2-CD2 3.73Å; I322-Y355 HydrophobicContact CD1-CD2 4.05Å; I322-Y355 HydrophobicContact CD1-CE2 4.04Å; I322-Y355 HydrophobicContact CD1-CG 4.32Å
323	L	89.9	Confident	85.3	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-58.9	-46.6	179.1	-179.6	63.9	0	0	0	111.2	Y319 C320 Q325 F326 V327 L344 L352 K370 A373 Y374	Y319-L323 VanDerWaalsContact O-CB 3.3Å; Y319-L323 WeakPolarHBondContact O-CB 3.25Å; Y319-L323 PolarHBondContact O-N 3.36Å; C320-L323 PolarHBondContact O-N 3.42Å; L323-Q325 VanDerWaalsContact C-N 3.3Å; L323-Q325 PolarHBondContact O-N 3.41Å; L323-F326 PolarHBondContact O-N 3.04Å; L323-V327 HydrophobicContact CD1-CG2 4.3Å; L323-V327 VanDerWaalsContact O-CG2 3.25Å; L323-V327 WeakPolarHBondContact O-CG2 3.45Å; L323-V327 PolarHBondContact O-N 2.95Å; L323-L344 HydrophobicContact CD1-CD1 3.94Å; L323-L352 HydrophobicContact CB-CD2 4.36Å; L323-L352 HydrophobicContact CD1-CD1 3.71Å; L323-K370 HydrophobicContact CD2-CB 4.22Å; L323-K370 HydrophobicContact CD2-CG 3.75Å; L323-A373 HydrophobicContact CD2-CB 3.94Å; L323-A373 HydrophobicContact CG-CB 4.24Å; L323-Y374 HydrophobicContact CD1-CE1 4.29Å; L323-Y374 HydrophobicContact CD2-CE1 4.14Å; L323-Y374 HydrophobicContact CG-CE1 4.26Å
324	Q	86.9	Confident	84.7	Confident	70 Å²	70	36.7 Å²	36.7	33%	0.327	20%	0.197	S	C	.	.	H	α-helix	trans	-58.9	-42.4	177.7	-172.9	177.8	-6.8	0	0	111.7	C320 G321 I322 Q328 L377	C320-Q324 WeakPolarHBondContact O-CB 3.21Å; C320-Q324 PolarHBondContact O-N 2.99Å; G321-Q324 PolarHBondContact O-N 2.77Å; I322-Q324 VanDerWaalsContact C-N 3.34Å; I322-Q324 PolarHBondContact O-N 3.46Å; Q324-Q328 WeakPolarHBondContact O-CB 3.26Å; Q324-Q328 PolarHBondContact O-N 3.11Å; Q324-L377 HydrophobicContact CG-CD1 4.48Å; Q324-L377 HydrophobicContact CG-CD2 4.09Å; Q324-L377 HydrophobicContact CG-CG 4.35Å
325	Q	87.9	Confident	83.3	Confident	22 Å²	22	43.2 Å²	43.2	10%	0.103	23%	0.225	C	C	.	.	H	α-helix	trans	-68.6	-43.1	177.5	-85.8	-55.1	-28.9	0	0	113.8	L69 F106 G321 I322 L323 V327 Q328 A329	L69-Q325 VanDerWaalsContact CD2-CD 3.42Å; L69-Q325 HydrophobicContact CD2-CG 3.42Å; L69-Q325 VanDerWaalsContact CD2-CG 3.42Å; F106-Q325 HydrophobicContact CE1-CB 4.24Å; F106-Q325 HydrophobicContact CE1-CG 4.2Å; F106-Q325 HydrophobicContact CZ-CB 4.22Å; G321-Q325 PolarHBondContact O-N 3.45Å; I322-Q325 PolarHBondContact O-N 3.15Å; L323-Q325 VanDerWaalsContact C-N 3.3Å; L323-Q325 PolarHBondContact O-N 3.41Å; Q325-V327 VanDerWaalsContact C-N 3.31Å; Q325-V327 PolarHBondContact O-N 3.08Å; Q325-Q328 PolarHBondContact O-N 3.2Å; Q325-A329 VanDerWaalsContact O-CB 3.29Å; Q325-A329 WeakPolarHBondContact O-CB 3.37Å; Q325-A329 PolarHBondContact O-N 3.44Å
326	F	90.2	Very high	82	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-41	176.8	-72.5	-15	0	0	0	112.2	L76 Y101 L102 A105 F106 I322 L323 Y330 L344 A348 L351 L352	L76-F326 HydrophobicContact CD1-CE1 4.17Å; L76-F326 HydrophobicContact CD1-CZ 3.81Å; L76-F326 HydrophobicContact CD2-CZ 4.3Å; Y101-F326 HydrophobicContact CD1-CE1 4.47Å; Y101-F326 AromaticContact CE1-CD1 3.89Å; Y101-F326 HydrophobicContact CE1-CD1 3.89Å; Y101-F326 AromaticContact CE1-CE1 3.59Å; Y101-F326 HydrophobicContact CE1-CE1 3.59Å; Y101-F326 HydrophobicContact CE1-CE2 4.46Å; Y101-F326 HydrophobicContact CE1-CG 4.43Å; Y101-F326 AromaticContact CE1-CZ 3.92Å; Y101-F326 HydrophobicContact CE1-CZ 3.92Å; L102-F326 HydrophobicContact CD2-CE1 4Å; L102-F326 HydrophobicContact CD2-CZ 3.97Å; A105-F326 HydrophobicContact CB-CD1 4.14Å; A105-F326 HydrophobicContact CB-CE1 4.27Å; F106-F326 HydrophobicContact CD2-CE1 4.46Å; F106-F326 HydrophobicContact CE2-CD1 4.3Å; F106-F326 AromaticContact CE2-CE1 3.69Å; F106-F326 HydrophobicContact CE2-CE1 3.69Å; I322-F326 HydrophobicContact CG2-CD2 3.79Å; I322-F326 HydrophobicContact CG2-CE1 4.36Å; I322-F326 HydrophobicContact CG2-CE2 3.45Å; I322-F326 VanDerWaalsContact CG2-CE2 3.45Å; I322-F326 HydrophobicContact CG2-CG 4.38Å; I322-F326 HydrophobicContact CG2-CZ 3.77Å; I322-F326 WeakPolarHBondContact O-CG 3.42Å; I322-F326 PolarHBondContact O-N 3.23Å; L323-F326 PolarHBondContact O-N 3.04Å; F326-Y330 VanDerWaalsContact O-CB 3.24Å; F326-Y330 WeakPolarHBondContact O-CB 3.44Å; F326-Y330 PolarHBondContact O-N 3.41Å; F326-L344 HydrophobicContact CB-CD1 4.43Å; F326-L344 HydrophobicContact CB-CD2 4.41Å; F326-A348 HydrophobicContact CB-CB 4.46Å; F326-A348 HydrophobicContact CD2-CB 3.9Å; F326-A348 HydrophobicContact CE2-CB 4.32Å; F326-A348 HydrophobicContact CG-CB 4.24Å; F326-L351 HydrophobicContact CE2-CB 4.1Å; F326-L351 HydrophobicContact CZ-CB 4.24Å; F326-L351 HydrophobicContact CZ-CD1 3.98Å; F326-L352 HydrophobicContact CD2-CD1 4.06Å; F326-L352 HydrophobicContact CD2-CD2 4.25Å; F326-L352 HydrophobicContact CD2-CG 3.93Å; F326-L352 HydrophobicContact CE2-CD2 4.35Å; F326-L352 HydrophobicContact CE2-CG 4.02Å
327	V	85.1	Confident	80.6	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-66.9	-44.7	176.2	-179.7	0	0	0	0	111	L323 Q325 A329 Y330 I331 W340 L344 Y374 L377	L323-V327 HydrophobicContact CD1-CG2 4.3Å; L323-V327 VanDerWaalsContact O-CG2 3.25Å; L323-V327 WeakPolarHBondContact O-CG2 3.45Å; L323-V327 PolarHBondContact O-N 2.95Å; Q325-V327 VanDerWaalsContact C-N 3.31Å; Q325-V327 PolarHBondContact O-N 3.08Å; V327-A329 PolarHBondContact O-N 3.47Å; V327-Y330 PolarHBondContact O-N 3.16Å; V327-I331 HydrophobicContact CG1-CD1 3.73Å; V327-I331 HydrophobicContact CG1-CG1 4.37Å; V327-I331 WeakPolarHBondContact O-CG1 3.4Å; V327-I331 PolarHBondContact O-N 3.42Å; V327-W340 HydrophobicContact CB-CH2 4.23Å; V327-W340 HydrophobicContact CB-CZ3 4.41Å; V327-W340 HydrophobicContact CG1-CD2 4.16Å; V327-W340 HydrophobicContact CG1-CE3 3.68Å; V327-W340 HydrophobicContact CG1-CH2 3.66Å; V327-W340 HydrophobicContact CG1-CZ2 4.12Å; V327-W340 HydrophobicContact CG1-CZ3 3.43Å; V327-W340 VanDerWaalsContact CG1-CZ3 3.43Å; V327-W340 HydrophobicContact CG2-CH2 3.45Å; V327-W340 VanDerWaalsContact CG2-CH2 3.45Å; V327-W340 HydrophobicContact CG2-CZ2 3.96Å; V327-W340 HydrophobicContact CG2-CZ3 4.01Å; V327-L344 HydrophobicContact CG2-CD2 3.9Å; V327-Y374 HydrophobicContact CG2-CD1 4.46Å; V327-Y374 HydrophobicContact CG2-CE1 3.86Å; V327-L377 HydrophobicContact CB-CD1 3.7Å; V327-L377 HydrophobicContact CG1-CD1 3.54Å; V327-L377 HydrophobicContact CG2-CD1 4.29Å
328	Q	83.5	Confident	79.6	Confident	88 Å²	88	50.6 Å²	50.6	41%	0.411	28%	0.283	S	S	.	.	H	α-helix	trans	-61	-45.3	177.9	-175.9	174.1	1.6	0	0	111.8	Q324 Q325 I331 S332	Q324-Q328 WeakPolarHBondContact O-CB 3.26Å; Q324-Q328 PolarHBondContact O-N 3.11Å; Q325-Q328 PolarHBondContact O-N 3.2Å; Q328-I331 PolarHBondContact O-N 3.14Å; Q328-S332 WeakPolarHBondContact O-CB 3.31Å; Q328-S332 PolarHBondContact O-N 3.07Å; Q328-S332 PolarHBondContact O-OG 3.39Å
329	A	83.9	Confident	78.6	Confident	11 Å²	11	52.6 Å²	52.6	9%	0.091	30%	0.295	C	S	.	.	H	α-helix	trans	-62.2	-43.3	176.1	0	0	0	0	0	111.6	A105 Q325 V327 S332 K333	A105-A329 HydrophobicContact CB-CB 3.96Å; Q325-A329 VanDerWaalsContact O-CB 3.29Å; Q325-A329 WeakPolarHBondContact O-CB 3.37Å; Q325-A329 PolarHBondContact O-N 3.44Å; V327-A329 PolarHBondContact O-N 3.47Å; A329-S332 WeakPolarHBondContact CA-OG 3.41Å; A329-S332 PolarHBondContact O-N 3.34Å; A329-S332 PolarHBondContact O-OG 2.91Å; A329-K333 PolarHBondContact O-N 2.96Å
330	Y	83.1	Confident	78.1	Confident	51 Å²	51	52.7 Å²	52.7	20%	0.2	30%	0.296	C	S	.	.	H	α-helix	trans	-60	-48.8	177	-175.6	-87.7	0	0	0	112	F326 V327 S332 K333 Q334 W340	F326-Y330 VanDerWaalsContact O-CB 3.24Å; F326-Y330 WeakPolarHBondContact O-CB 3.44Å; F326-Y330 PolarHBondContact O-N 3.41Å; V327-Y330 PolarHBondContact O-N 3.16Å; Y330-S332 VanDerWaalsContact C-N 3.33Å; Y330-S332 PolarHBondContact O-N 2.86Å; Y330-K333 PolarHBondContact O-N 3.37Å; Y330-Q334 HydrophobicContact CE1-CG 4.08Å; Y330-Q334 PolarHBondContact O-N 2.72Å; Y330-Q334 PolarHBondContact OH-NE2 3.41Å; Y330-W340 AromaticContact CD1-CD1 3.63Å; Y330-W340 HydrophobicContact CD1-CG 4.47Å; Y330-W340 AromaticContact CD1-NE1 3.65Å; Y330-W340 AromaticContact CE1-CD1 3.34Å; Y330-W340 HydrophobicContact CE1-CG 4.44Å; Y330-W340 AromaticContact CE1-NE1 3.53Å
331	I	76.9	Confident	77.5	Confident	37 Å²	37	59.6 Å²	59.6	19%	0.19	32%	0.324	C	S	.	.	H	α-helix	trans	-63.8	-40.4	178.6	-66.9	169.4	0	0	0	110.5	V327 Q328 K333 Q334 W340 L381	V327-I331 HydrophobicContact CG1-CD1 3.73Å; V327-I331 HydrophobicContact CG1-CG1 4.37Å; V327-I331 WeakPolarHBondContact O-CG1 3.4Å; V327-I331 PolarHBondContact O-N 3.42Å; Q328-I331 PolarHBondContact O-N 3.14Å; I331-K333 VanDerWaalsContact C-N 3.26Å; I331-K333 PolarHBondContact O-N 2.85Å; I331-Q334 PolarHBondContact O-N 3.08Å; I331-W340 HydrophobicContact CD1-CB 4.37Å; I331-W340 HydrophobicContact CG1-CB 4.23Å; I331-W340 HydrophobicContact CG1-CG 4.41Å; I331-L381 HydrophobicContact CB-CD1 4.38Å; I331-L381 HydrophobicContact CD1-CB 4.21Å; I331-L381 HydrophobicContact CD1-CD1 3.62Å; I331-L381 HydrophobicContact CG2-CD1 4.24Å; I331-L381 HydrophobicContact CG2-CD2 4.27Å
332	S	77.3	Confident	76.9	Confident	95 Å²	95	59.9 Å²	59.9	66%	0.664	33%	0.327	S	S	*	.	H	α-helix	trans	-65.1	-28.1	177.9	74.5	0	0	0	0	113.7	Q328 A329 Y330	Q328-S332 WeakPolarHBondContact O-CB 3.31Å; Q328-S332 PolarHBondContact O-N 3.07Å; Q328-S332 PolarHBondContact O-OG 3.39Å; A329-S332 WeakPolarHBondContact CA-OG 3.41Å; A329-S332 PolarHBondContact O-N 3.34Å; A329-S332 PolarHBondContact O-OG 2.91Å; Y330-S332 VanDerWaalsContact C-N 3.33Å; Y330-S332 PolarHBondContact O-N 2.86Å
333	K	75.3	Confident	76.4	Confident	123 Å²	123	62.4 Å²	62.4	54%	0.535	35%	0.348	S	S	.	.	H	α-helix	trans	-82.5	-33.6	176.2	-96	-177.6	171.9	-179.1	0	113.5	E104 A329 Y330 I331 Q335	E104-K333 IonicContact OE2-NZ 3.52Å; E104-K333 PolarHBondContact OE2-NZ 2.8Å; A329-K333 PolarHBondContact O-N 2.96Å; Y330-K333 PolarHBondContact O-N 3.37Å; I331-K333 VanDerWaalsContact C-N 3.26Å; I331-K333 PolarHBondContact O-N 2.85Å; K333-Q335 PolarHBondContact O-N 2.93Å; K333-Q335 VanDerWaalsContact O-N 3.17Å
334	Q	68.1	Low	76.1	Confident	82 Å²	82	63.1 Å²	63.1	38%	0.383	35%	0.352	S	S	.	.			trans	-76.8	100.9	177.9	-88.6	-169.9	-18.8	0	0	110.8	Y330 I331 S336	Y330-Q334 HydrophobicContact CE1-CG 4.08Å; Y330-Q334 PolarHBondContact O-N 2.72Å; Y330-Q334 PolarHBondContact OH-NE2 3.41Å; I331-Q334 PolarHBondContact O-N 3.08Å; Q334-S336 PolarHBondContact O-N 2.87Å
335	Q	57.2	Low	76.1	Confident	200 Å²	200	61.4 Å²	61.4	94%	0.935	35%	0.347	S	S	*	.			trans	-71.5	13.7	170.8	-65.8	178.9	-4.7	0	0	113.7	K333	K333-Q335 PolarHBondContact O-N 2.93Å; K333-Q335 VanDerWaalsContact O-N 3.17Å
336	S	57.3	Low	75.9	Confident	65 Å²	65	61.2 Å²	61.2	46%	0.455	35%	0.351	S	S	.	.			trans	-85.6	138.8	-176.2	96.1	0	0	0	0	110.9	Q334 A338	Q334-S336 PolarHBondContact O-N 2.87Å; S336-A338 PolarHBondContact O-N 3.3Å; S336-A338 VanDerWaalsContact O-N 3.11Å; S336-A338 PolarHBondContact OG-N 3.41Å
337	S	59.4	Low	75.8	Confident	120 Å²	120	63.7 Å²	63.7	84%	0.839	36%	0.363	S	S	*	.	S	Bend	trans	-66.5	-3.3	173.1	169.1	0	0	0	0	114
338	A	64.2	Low	76	Confident	61 Å²	61	63.7 Å²	63.7	50%	0.504	36%	0.363	S	S	.	.	S	Bend	trans	-87.7	138.9	-175.9	0	0	0	0	0	111.3	S336	S336-A338 PolarHBondContact O-N 3.3Å; S336-A338 VanDerWaalsContact O-N 3.11Å; S336-A338 PolarHBondContact OG-N 3.41Å
339	P	69.4	Low	76.3	Confident	41 Å²	41	64.4 Å²	64.4	27%	0.266	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-66.6	144.7	179.2	28.9	-34.9	0	0	0	110.9	K341 D384	P339-K341 PolarHBondContact O-N 3.38Å; P339-D384 HydrophobicContact CB-CB 4.08Å; P339-D384 HydrophobicContact CG-CB 4.23Å
340	W	78.1	Confident	76.5	Confident	8 Å²	8	64.2 Å²	64.2	3%	0.03	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-65.8	126.1	-179.4	178	57.1	0	0	0	111.4	V327 Y330 I331 G342 A343 L344 Y374 V383 D384	V327-W340 HydrophobicContact CB-CH2 4.23Å; V327-W340 HydrophobicContact CB-CZ3 4.41Å; V327-W340 HydrophobicContact CG1-CD2 4.16Å; V327-W340 HydrophobicContact CG1-CE3 3.68Å; V327-W340 HydrophobicContact CG1-CH2 3.66Å; V327-W340 HydrophobicContact CG1-CZ2 4.12Å; V327-W340 HydrophobicContact CG1-CZ3 3.43Å; V327-W340 VanDerWaalsContact CG1-CZ3 3.43Å; V327-W340 HydrophobicContact CG2-CH2 3.45Å; V327-W340 VanDerWaalsContact CG2-CH2 3.45Å; V327-W340 HydrophobicContact CG2-CZ2 3.96Å; V327-W340 HydrophobicContact CG2-CZ3 4.01Å; Y330-W340 AromaticContact CD1-CD1 3.63Å; Y330-W340 HydrophobicContact CD1-CG 4.47Å; Y330-W340 AromaticContact CD1-NE1 3.65Å; Y330-W340 AromaticContact CE1-CD1 3.34Å; Y330-W340 HydrophobicContact CE1-CG 4.44Å; Y330-W340 AromaticContact CE1-NE1 3.53Å; I331-W340 HydrophobicContact CD1-CB 4.37Å; I331-W340 HydrophobicContact CG1-CB 4.23Å; I331-W340 HydrophobicContact CG1-CG 4.41Å; W340-G342 VanDerWaalsContact CE2-CA 3.5Å; W340-G342 VanDerWaalsContact CZ2-C 3.4Å; W340-G342 VanDerWaalsContact CZ2-CA 3.42Å; W340-A343 PolarHBondContact NE1-O 2.95Å; W340-L344 HydrophobicContact CZ2-CD2 3.94Å; W340-L344 HydrophobicContact CZ2-CG 4.18Å; W340-Y374 HydrophobicContact CH2-CD1 4.08Å; W340-Y374 AromaticContact CH2-CE1 3.49Å; W340-Y374 HydrophobicContact CH2-CE1 3.49Å; W340-Y374 VanDerWaalsContact CH2-CE1 3.49Å; W340-Y374 HydrophobicContact CH2-CE2 4.3Å; W340-Y374 AromaticContact CH2-CZ 3.6Å; W340-Y374 AromaticContact CZ3-CD1 3.89Å; W340-Y374 HydrophobicContact CZ3-CD1 3.89Å; W340-Y374 AromaticContact CZ3-CE1 3.79Å; W340-Y374 HydrophobicContact CZ3-CE1 3.79Å; W340-Y374 HydrophobicContact CZ3-CG 4.33Å; W340-V383 HydrophobicContact CE3-CG1 3.99Å; W340-V383 HydrophobicContact CE3-CG2 4.29Å; W340-V383 HydrophobicContact CZ3-CG1 4.49Å; W340-D384 WeakPolarHBondContact O-CB 3.38Å; W340-D384 PolarHBondContact O-N 2.84Å; W340-D384 VanDerWaalsContact O-N 3.07Å
341	K	75.2	Confident	76.8	Confident	160 Å²	160	61.8 Å²	61.8	70%	0.696	35%	0.354	S	S	*	.			trans	-93.6	17.4	-175.7	-62.9	-172.7	178.1	-178.6	0	114.7	P339 V387	P339-K341 PolarHBondContact O-N 3.38Å; K341-V387 WeakPolarHBondContact O-CG2 3.16Å
342	G	76.1	Confident	77.5	Confident	22 Å²	22	60.5 Å²	60.5	23%	0.227	35%	0.347	C	S	.	.	S	Bend	trans	86.6	1.4	173.9	0	0	0	0	0	115.8	W340	W340-G342 VanDerWaalsContact CE2-CA 3.5Å; W340-G342 VanDerWaalsContact CZ2-C 3.4Å; W340-G342 VanDerWaalsContact CZ2-CA 3.42Å
343	A	79.6	Confident	78	Confident	54 Å²	54	58.4 Å²	58.4	45%	0.446	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-92.6	124.5	176.2	0	0	0	0	0	111.1	W340	W340-A343 PolarHBondContact NE1-O 2.95Å
344	L	83.9	Confident	78.6	Confident	16 Å²	16	53 Å²	53	8%	0.084	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-90.2	164.9	169.2	-67.9	174.5	0	0	0	110.2	L323 F326 V327 W340 A348 Q349 L352	L323-L344 HydrophobicContact CD1-CD1 3.94Å; F326-L344 HydrophobicContact CB-CD1 4.43Å; F326-L344 HydrophobicContact CB-CD2 4.41Å; V327-L344 HydrophobicContact CG2-CD2 3.9Å; W340-L344 HydrophobicContact CZ2-CD2 3.94Å; W340-L344 HydrophobicContact CZ2-CG 4.18Å; L344-A348 HydrophobicContact CB-CB 4Å; L344-A348 HydrophobicContact CD1-CB 4.36Å; L344-Q349 HydrophobicContact CB-CG 4.02Å; L344-L352 HydrophobicContact CD1-CD1 3.59Å
345	C	85.6	Confident	79.7	Confident	34 Å²	34	49.1 Å²	49.1	23%	0.23	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-69.7	160.6	172.7	66	0	0	0	0	111.7	Y101 E347 A348 Q349	Y101-C345 WeakPolarHBondContact CE2-SG 3.42Å; C345-E347 VanDerWaalsContact C-N 3.28Å; C345-E347 WeakPolarHBondContact CB-OE2 3.22Å; C345-E347 PolarHBondContact O-N 2.91Å; C345-E347 PolarHBondContact SG-OE2 3.06Å; C345-A348 WeakPolarHBondContact O-CB 3.25Å; C345-A348 PolarHBondContact O-N 3Å; C345-A348 VanDerWaalsContact O-N 3.13Å; C345-Q349 PolarHBondContact O-N 3.29Å
346	G	84.6	Confident	81.2	Confident	18 Å²	18	39.7 Å²	39.7	19%	0.186	24%	0.242	C	C	.	.	H	α-helix	trans	-59.1	-36.8	-174.8	0	0	0	0	0	113.4	F93 A348 Q349 T350	F93-G346 VanDerWaalsContact CE2-C 3.4Å; G346-A348 PolarHBondContact O-N 3.34Å; G346-Q349 PolarHBondContact O-N 2.96Å; G346-T350 WeakPolarHBondContact O-CB 3.46Å; G346-T350 PolarHBondContact O-N 3.17Å; G346-T350 PolarHBondContact O-OG1 2.84Å
347	E	89	Confident	82.7	Confident	52 Å²	52	37.1 Å²	37.1	24%	0.243	22%	0.223	C	C	.	.	H	α-helix	trans	-62.5	-44.8	176.6	-57.8	87	164.1	0	0	111.5	F93 L98 Y101 C345 T350 L351	F93-E347 HydrophobicContact CD1-CG 3.76Å; F93-E347 HydrophobicContact CE1-CG 3.83Å; F93-E347 HydrophobicContact CG-CG 4.24Å; F93-E347 HydrophobicContact CZ-CG 4.4Å; L98-E347 HydrophobicContact CD2-CB 4.09Å; L98-E347 HydrophobicContact CD2-CG 4.46Å; Y101-E347 HydrophobicContact CD1-CB 3.96Å; Y101-E347 HydrophobicContact CD2-CB 4.15Å; Y101-E347 HydrophobicContact CG-CB 3.73Å; Y101-E347 HydrophobicContact CG-CG 4.39Å; C345-E347 VanDerWaalsContact C-N 3.28Å; C345-E347 WeakPolarHBondContact CB-OE2 3.22Å; C345-E347 PolarHBondContact O-N 2.91Å; C345-E347 PolarHBondContact SG-OE2 3.06Å; E347-T350 PolarHBondContact O-N 3.4Å; E347-L351 VanDerWaalsContact O-CG 3.31Å; E347-L351 WeakPolarHBondContact O-CG 3.19Å; E347-L351 PolarHBondContact O-N 3.48Å
348	A	88.9	Confident	84	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67	-42	-179.7	0	0	0	0	0	112.1	Y101 F326 L344 C345 G346 L351 L352	Y101-A348 HydrophobicContact CE1-CB 3.83Å; Y101-A348 VanDerWaalsContact OH-CB 3.3Å; Y101-A348 WeakPolarHBondContact OH-CB 3.31Å; F326-A348 HydrophobicContact CB-CB 4.46Å; F326-A348 HydrophobicContact CD2-CB 3.9Å; F326-A348 HydrophobicContact CE2-CB 4.32Å; F326-A348 HydrophobicContact CG-CB 4.24Å; L344-A348 HydrophobicContact CB-CB 4Å; L344-A348 HydrophobicContact CD1-CB 4.36Å; C345-A348 WeakPolarHBondContact O-CB 3.25Å; C345-A348 PolarHBondContact O-N 3Å; C345-A348 VanDerWaalsContact O-N 3.13Å; G346-A348 PolarHBondContact O-N 3.34Å; A348-L351 PolarHBondContact O-N 3.34Å; A348-L352 WeakPolarHBondContact O-CB 3.39Å; A348-L352 WeakPolarHBondContact O-CG 3.45Å; A348-L352 PolarHBondContact O-N 3.13Å
349	Q	88.7	Confident	85.2	Confident	102 Å²	102	30.3 Å²	30.3	48%	0.477	17%	0.169	S	C	.	.	H	α-helix	trans	-62.9	-45.9	176.5	-70.8	-178.3	-19.5	0	0	110.9	L344 C345 G346 L351 L352 E353	L344-Q349 HydrophobicContact CB-CG 4.02Å; C345-Q349 PolarHBondContact O-N 3.29Å; G346-Q349 PolarHBondContact O-N 2.96Å; Q349-L351 VanDerWaalsContact C-N 3.35Å; Q349-L351 PolarHBondContact O-N 2.98Å; Q349-L352 PolarHBondContact O-N 2.95Å; Q349-E353 WeakPolarHBondContact O-CB 3.38Å; Q349-E353 PolarHBondContact O-N 3.02Å
350	T	88.2	Confident	86	Confident	7 Å²	7	32.2 Å²	32.2	4%	0.043	18%	0.177	C	C	.	.	H	α-helix	trans	-59.3	-45	177.6	-54.9	0	0	0	0	111.3	P87 F93 G346 E347 E353 L354	P87-T350 HydrophobicContact CB-CG2 4.18Å; F93-T350 WeakPolarHBondContact CD2-OG1 3.23Å; G346-T350 WeakPolarHBondContact O-CB 3.46Å; G346-T350 PolarHBondContact O-N 3.17Å; G346-T350 PolarHBondContact O-OG1 2.84Å; E347-T350 PolarHBondContact O-N 3.4Å; T350-E353 PolarHBondContact O-N 3.32Å; T350-L354 HydrophobicContact CG2-CD1 3.97Å; T350-L354 HydrophobicContact CG2-CG 4.42Å; T350-L354 WeakPolarHBondContact O-CB 3.47Å; T350-L354 VanDerWaalsContact O-CG 3.26Å; T350-L354 WeakPolarHBondContact O-CG 3.49Å; T350-L354 PolarHBondContact O-N 2.79Å
351	L	90	Very high	86.5	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.2	-39.8	179	-73.6	167.1	0	0	0	113	L76 I80 L98 Y101 L102 F326 E347 A348 Q349 Y355	L76-L351 HydrophobicContact CD2-CB 4.31Å; I80-L351 HydrophobicContact CD1-CD2 3.84Å; I80-L351 HydrophobicContact CG1-CD2 3.63Å; L98-L351 HydrophobicContact CB-CD2 4.43Å; L98-L351 HydrophobicContact CD1-CD2 4.21Å; L98-L351 HydrophobicContact CD2-CD1 4.31Å; L98-L351 HydrophobicContact CD2-CD2 4.35Å; L98-L351 HydrophobicContact CD2-CG 4.06Å; Y101-L351 HydrophobicContact CD1-CD1 3.83Å; Y101-L351 HydrophobicContact CE1-CD1 4.25Å; L102-L351 HydrophobicContact CD2-CD1 3.74Å; L102-L351 HydrophobicContact CG-CD1 4.04Å; F326-L351 HydrophobicContact CE2-CB 4.1Å; F326-L351 HydrophobicContact CZ-CB 4.24Å; F326-L351 HydrophobicContact CZ-CD1 3.98Å; E347-L351 VanDerWaalsContact O-CG 3.31Å; E347-L351 WeakPolarHBondContact O-CG 3.19Å; E347-L351 PolarHBondContact O-N 3.48Å; A348-L351 PolarHBondContact O-N 3.34Å; Q349-L351 VanDerWaalsContact C-N 3.35Å; Q349-L351 PolarHBondContact O-N 2.98Å; L351-Y355 VanDerWaalsContact O-CB 3.24Å; L351-Y355 WeakPolarHBondContact O-CB 3.49Å; L351-Y355 PolarHBondContact O-N 2.96Å
352	L	90.5	Very high	87	Confident	10 Å²	10	26 Å²	26	5%	0.052	15%	0.154	C	C	.	.	H	α-helix	trans	-66.1	-41.5	175.3	-74.3	168.7	0	0	0	111.5	Y319 I322 L323 F326 L344 A348 Q349 Y355 A356	Y319-L352 HydrophobicContact CD2-CD2 3.97Å; Y319-L352 HydrophobicContact CE2-CB 4.03Å; Y319-L352 HydrophobicContact CE2-CD2 3.53Å; Y319-L352 HydrophobicContact CE2-CG 4.36Å; I322-L352 HydrophobicContact CB-CD2 4.45Å; I322-L352 HydrophobicContact CG2-CD2 3.73Å; L323-L352 HydrophobicContact CB-CD2 4.36Å; L323-L352 HydrophobicContact CD1-CD1 3.71Å; F326-L352 HydrophobicContact CD2-CD1 4.06Å; F326-L352 HydrophobicContact CD2-CD2 4.25Å; F326-L352 HydrophobicContact CD2-CG 3.93Å; F326-L352 HydrophobicContact CE2-CD2 4.35Å; F326-L352 HydrophobicContact CE2-CG 4.02Å; L344-L352 HydrophobicContact CD1-CD1 3.59Å; A348-L352 WeakPolarHBondContact O-CB 3.39Å; A348-L352 WeakPolarHBondContact O-CG 3.45Å; A348-L352 PolarHBondContact O-N 3.13Å; Q349-L352 PolarHBondContact O-N 2.95Å; L352-Y355 PolarHBondContact O-N 3.47Å; L352-A356 WeakPolarHBondContact O-CB 3.47Å; L352-A356 PolarHBondContact O-N 3.47Å
353	E	88.4	Confident	87.4	Confident	51 Å²	51	29.1 Å²	29.1	24%	0.238	17%	0.17	C	C	.	.	H	α-helix	trans	-64.1	-48.1	177.1	-174.2	-177.4	176.6	0	0	111.5	A88 Q349 T350 Y355 A356 T357	A88-E353 VanDerWaalsContact CB-OE1 3.23Å; A88-E353 WeakPolarHBondContact CB-OE1 3.33Å; A88-E353 PolarHBondContact N-OE1 3.31Å; Q349-E353 WeakPolarHBondContact O-CB 3.38Å; Q349-E353 PolarHBondContact O-N 3.02Å; T350-E353 PolarHBondContact O-N 3.32Å; E353-Y355 PolarHBondContact O-N 3.15Å; E353-A356 PolarHBondContact O-N 3.46Å; E353-T357 WeakPolarHBondContact O-CB 3.38Å; E353-T357 WeakPolarHBondContact O-CG2 3.49Å; E353-T357 PolarHBondContact O-N 3.24Å; E353-T357 PolarHBondContact O-OG1 2.84Å
354	L	88.4	Confident	87.7	Confident	10 Å²	10	26.7 Å²	26.7	5%	0.052	15%	0.15	C	C	.	.	H	α-helix	trans	-60.7	-45.1	175.9	-72.6	172	0	0	0	111.5	T79 K83 T350 T357 Q358	T79-L354 HydrophobicContact CG2-CB 3.82Å; K83-L354 HydrophobicContact CB-CD1 4.46Å; K83-L354 HydrophobicContact CB-CD2 4.45Å; T350-L354 HydrophobicContact CG2-CD1 3.97Å; T350-L354 HydrophobicContact CG2-CG 4.42Å; T350-L354 WeakPolarHBondContact O-CB 3.47Å; T350-L354 VanDerWaalsContact O-CG 3.26Å; T350-L354 WeakPolarHBondContact O-CG 3.49Å; T350-L354 PolarHBondContact O-N 2.79Å; L354-T357 WeakPolarHBondContact CA-OG1 3.35Å; L354-T357 PolarHBondContact O-OG1 3.21Å; L354-Q358 VanDerWaalsContact O-CB 3.27Å; L354-Q358 WeakPolarHBondContact O-CB 3.38Å; L354-Q358 WeakPolarHBondContact O-CG 3.27Å; L354-Q358 PolarHBondContact O-N 2.96Å
355	Y	90.5	Very high	87.9	Confident	1 Å²	1	27.2 Å²	27.2	0%	0.004	15%	0.153	C	C	.	.	H	α-helix	trans	-64.3	-43.3	178.1	-177.5	-83.7	0	0	0	111.7	E75 T79 A315 N318 Y319 I322 L351 L352 E353 N359 L361	E75-Y355 HydrophobicContact CB-CE2 4.04Å; T79-Y355 WeakPolarHBondContact OG1-CD2 3.42Å; A315-Y355 WeakPolarHBondContact CA-OH 3.43Å; A315-Y355 WeakPolarHBondContact O-CE1 3.49Å; A315-Y355 PolarHBondContact O-OH 2.56Å; N318-Y355 WeakPolarHBondContact CB-OH 3.44Å; Y319-Y355 AromaticContact CD2-CD1 3.77Å; Y319-Y355 HydrophobicContact CD2-CD1 3.77Å; Y319-Y355 HydrophobicContact CD2-CE1 4.28Å; I322-Y355 HydrophobicContact CD1-CD2 4.05Å; I322-Y355 HydrophobicContact CD1-CE2 4.04Å; I322-Y355 HydrophobicContact CD1-CG 4.32Å; L351-Y355 VanDerWaalsContact O-CB 3.24Å; L351-Y355 WeakPolarHBondContact O-CB 3.49Å; L351-Y355 PolarHBondContact O-N 2.96Å; L352-Y355 PolarHBondContact O-N 3.47Å; E353-Y355 PolarHBondContact O-N 3.15Å; Y355-N359 WeakPolarHBondContact CE2-ND2 3.21Å; Y355-N359 WeakPolarHBondContact O-CB 3.3Å; Y355-N359 PolarHBondContact O-N 3.42Å; Y355-N359 VanDerWaalsContact O-N 3.16Å; Y355-N359 PolarHBondContact O-ND2 3.31Å; Y355-L361 HydrophobicContact CD1-CD1 4.34Å; Y355-L361 HydrophobicContact CE1-CD1 4.18Å
356	A	89.6	Confident	88	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.008	15%	0.15	C	C	.	.	H	α-helix	trans	-66.5	-44.7	-178.4	0	0	0	0	0	112.1	Y319 L352 E353 N359 D360 L361 Q366	Y319-A356 HydrophobicContact CE2-CB 4.02Å; L352-A356 WeakPolarHBondContact O-CB 3.47Å; L352-A356 PolarHBondContact O-N 3.47Å; E353-A356 PolarHBondContact O-N 3.46Å; A356-N359 PolarHBondContact O-N 3.47Å; A356-D360 PolarHBondContact O-N 3.39Å; A356-D360 VanDerWaalsContact O-N 3.1Å; A356-L361 HydrophobicContact CB-CB 4.11Å; A356-L361 HydrophobicContact CB-CD1 4.41Å; A356-L361 PolarHBondContact O-N 3.19Å; A356-Q366 HydrophobicContact CB-CG 4.25Å
357	T	87.5	Confident	88.2	Confident	11 Å²	11	27.5 Å²	27.5	7%	0.067	15%	0.146	C	C	.	.	H	α-helix	trans	-64.3	-49.1	177.8	48.6	0	0	0	0	111.5	C273 T274 F300 E353 L354 N359 D360	C273-T357 HydrophobicContact CB-CG2 4.24Å; T274-T357 WeakPolarHBondContact OG1-CG2 3.28Å; F300-T357 CarbonylContact O-C 3.59Å; E353-T357 WeakPolarHBondContact O-CB 3.38Å; E353-T357 WeakPolarHBondContact O-CG2 3.49Å; E353-T357 PolarHBondContact O-N 3.24Å; E353-T357 PolarHBondContact O-OG1 2.84Å; L354-T357 WeakPolarHBondContact CA-OG1 3.35Å; L354-T357 PolarHBondContact O-OG1 3.21Å; T357-N359 PolarHBondContact O-N 3.23Å; T357-D360 PolarHBondContact O-N 3.5Å; T357-D360 VanDerWaalsContact O-N 3.09Å
358	Q	88.5	Confident	88.1	Confident	2 Å²	2	25 Å²	25	1%	0.009	13%	0.134	C	C	.	.	H	α-helix	trans	-59.2	-32	178.4	-74	177.2	17.8	0	0	113.7	T79 H82 M84 H302 L354	T79-Q358 PolarHBondContact O-NE2 3.1Å; H82-Q358 PolarHBondContact O-NE2 3.07Å; M84-Q358 HydrophobicContact CE-CG 4.25Å; H302-Q358 WeakPolarHBondContact CB-O 3.35Å; H302-Q358 PolarHBondContact CE1-OE1 3.27Å; H302-Q358 VanDerWaalsContact CE1-OE1 3.3Å; H302-Q358 PolarHBondContact N-O 3.43Å; H302-Q358 PolarHBondContact ND1-OE1 3.09Å; L354-Q358 VanDerWaalsContact O-CB 3.27Å; L354-Q358 WeakPolarHBondContact O-CB 3.38Å; L354-Q358 WeakPolarHBondContact O-CG 3.27Å; L354-Q358 PolarHBondContact O-N 2.96Å
359	N	87.8	Confident	88.1	Confident	37 Å²	37	25 Å²	25	20%	0.198	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	10.2	179.7	-69.1	-76.2	0	0	0	113.9	R305 A315 Y355 A356 T357 L361	R305-N359 PolarHBondContact NH1-ND2 3.04Å; R305-N359 PolarHBondContact NH1-OD1 3.35Å; A315-N359 HydrophobicContact CB-CB 3.74Å; Y355-N359 WeakPolarHBondContact CE2-ND2 3.21Å; Y355-N359 WeakPolarHBondContact O-CB 3.3Å; Y355-N359 PolarHBondContact O-N 3.42Å; Y355-N359 VanDerWaalsContact O-N 3.16Å; Y355-N359 PolarHBondContact O-ND2 3.31Å; A356-N359 PolarHBondContact O-N 3.47Å; T357-N359 PolarHBondContact O-N 3.23Å; N359-L361 VanDerWaalsContact C-N 3.34Å; N359-L361 HydrophobicContact CB-CG 4.29Å; N359-L361 PolarHBondContact O-N 2.85Å
360	D	87.2	Confident	88.1	Confident	80 Å²	80	22.3 Å²	22.3	43%	0.428	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	45.3	-179	-165	33.5	0	0	0	114.3	M131 Q299 I301 A356 T357 S362	M131-D360 WeakPolarHBondContact CE-OD1 3.45Å; Q299-D360 PolarHBondContact NE2-OD1 2.9Å; I301-D360 HydrophobicContact CG2-CB 4.16Å; A356-D360 PolarHBondContact O-N 3.39Å; A356-D360 VanDerWaalsContact O-N 3.1Å; T357-D360 PolarHBondContact O-N 3.5Å; T357-D360 VanDerWaalsContact O-N 3.09Å; D360-S362 PolarHBondContact O-N 2.91Å
361	L	88.1	Confident	88.1	Confident	14 Å²	14	22 Å²	22	7%	0.073	12%	0.119	C	C	.	.			trans	-82.8	113.4	176	-64.3	-178.1	0	0	0	110.6	A315 Y319 Y355 A356 N359 Q366	A315-L361 HydrophobicContact CB-CD2 4.33Å; Y319-L361 HydrophobicContact CD1-CD1 4.41Å; Y319-L361 HydrophobicContact CD2-CD1 3.89Å; Y319-L361 HydrophobicContact CG-CD1 3.73Å; Y355-L361 HydrophobicContact CD1-CD1 4.34Å; Y355-L361 HydrophobicContact CE1-CD1 4.18Å; A356-L361 HydrophobicContact CB-CB 4.11Å; A356-L361 HydrophobicContact CB-CD1 4.41Å; A356-L361 PolarHBondContact O-N 3.19Å; N359-L361 VanDerWaalsContact C-N 3.34Å; N359-L361 HydrophobicContact CB-CG 4.29Å; N359-L361 PolarHBondContact O-N 2.85Å; L361-Q366 HydrophobicContact CB-CG 4.3Å; L361-Q366 PolarHBondContact O-NE2 3.02Å
362	S	85.5	Confident	88	Confident	24 Å²	24	22.1 Å²	22.1	17%	0.168	12%	0.12	C	C	.	.			trans	-58.9	150.1	178	79.3	0	0	0	0	112.3	D360 F364 L365 Q366 Q402	D360-S362 PolarHBondContact O-N 2.91Å; S362-F364 PolarHBondContact O-N 3.29Å; S362-F364 VanDerWaalsContact O-N 3.14Å; S362-L365 PolarHBondContact O-N 3.41Å; S362-L365 PolarHBondContact OG-N 3.38Å; S362-Q366 WeakPolarHBondContact O-CG 3.22Å; S362-Q366 PolarHBondContact O-N 3.43Å; S362-Q402 PolarHBondContact OG-OE1 3.29Å; S362-Q402 VanDerWaalsContact OG-OE1 3.11Å
363	P	85.1	Confident	87.6	Confident	88 Å²	88	21.8 Å²	21.8	57%	0.571	12%	0.118	S	C	*	.	H	α-helix	trans	-53.3	-35.9	176.2	-28.5	35.7	0	0	0	113.2	Q366 D367	P363-Q366 WeakPolarHBondContact O-CB 3.25Å; P363-Q366 PolarHBondContact O-N 3.13Å; P363-D367 PolarHBondContact O-N 3.08Å
364	F	86.3	Confident	87.5	Confident	3 Å²	3	19.7 Å²	19.7	1%	0.013	11%	0.109	C	C	.	.	H	α-helix	trans	-65	-41.8	176.8	180	-142.6	0	0	0	112.9	S362 Q366 D367 L368 I395 H398 W399 Q402 L404	S362-F364 PolarHBondContact O-N 3.29Å; S362-F364 VanDerWaalsContact O-N 3.14Å; F364-Q366 VanDerWaalsContact C-N 3.31Å; F364-D367 PolarHBondContact O-N 3.33Å; F364-L368 WeakPolarHBondContact O-CB 3.43Å; F364-L368 PolarHBondContact O-N 3.49Å; F364-I395 HydrophobicContact CE2-CG2 4.26Å; F364-H398 HydrophobicContact CB-CB 4.11Å; F364-H398 HydrophobicContact CD1-CB 4.45Å; F364-H398 HydrophobicContact CD2-CB 3.37Å; F364-H398 HydrophobicContact CE2-CB 3.77Å; F364-H398 HydrophobicContact CG-CB 3.77Å; F364-H398 HydrophobicContact CZ-CB 4.42Å; F364-W399 HydrophobicContact CZ-CE3 4.25Å; F364-Q402 HydrophobicContact CD1-CB 4.05Å; F364-Q402 HydrophobicContact CE1-CB 4.4Å; F364-L404 HydrophobicContact CD1-CD2 3.83Å; F364-L404 HydrophobicContact CD1-CG 4.23Å; F364-L404 HydrophobicContact CE1-CD1 3.74Å; F364-L404 HydrophobicContact CE1-CD2 3.45Å; F364-L404 VanDerWaalsContact CE1-CD2 3.45Å; F364-L404 HydrophobicContact CE1-CG 3.37Å; F364-L404 HydrophobicContact CZ-CD1 3.6Å; F364-L404 HydrophobicContact CZ-CD2 4.07Å; F364-L404 HydrophobicContact CZ-CG 3.82Å
365	L	86.7	Confident	87.3	Confident	27 Å²	27	19.4 Å²	19.4	14%	0.141	11%	0.107	C	C	.	.	H	α-helix	trans	-66.5	-34.8	173.9	-72.3	176.1	0	0	0	111.5	Y316 S362 L368 A369 L404 Q408	Y316-L365 HydrophobicContact CD2-CB 4.15Å; Y316-L365 HydrophobicContact CD2-CD2 4.27Å; Y316-L365 HydrophobicContact CE2-CB 4.38Å; Y316-L365 HydrophobicContact CE2-CD2 4.3Å; Y316-L365 WeakPolarHBondContact CE2-O 3.46Å; S362-L365 PolarHBondContact O-N 3.41Å; S362-L365 PolarHBondContact OG-N 3.38Å; L365-L368 HydrophobicContact CD2-CD2 4.37Å; L365-L368 PolarHBondContact O-N 2.85Å; L365-A369 WeakPolarHBondContact O-CB 3.36Å; L365-A369 PolarHBondContact O-N 3.02Å; L365-L404 HydrophobicContact CD2-CD2 3.85Å; L365-Q408 HydrophobicContact CD2-CG 4.19Å
366	Q	88.9	Confident	86.8	Confident	40 Å²	40	23.9 Å²	23.9	19%	0.187	13%	0.127	C	C	.	.	H	α-helix	trans	-65.8	-43.2	175.1	-63.3	176.9	40.8	0	0	111.9	Y319 A356 L361 S362 P363 F364 A369 K370	Y319-Q366 HydrophobicContact CE1-CB 4.12Å; Y319-Q366 HydrophobicContact CE1-CG 4.16Å; A356-Q366 HydrophobicContact CB-CG 4.25Å; L361-Q366 HydrophobicContact CB-CG 4.3Å; L361-Q366 PolarHBondContact O-NE2 3.02Å; S362-Q366 WeakPolarHBondContact O-CG 3.22Å; S362-Q366 PolarHBondContact O-N 3.43Å; P363-Q366 WeakPolarHBondContact O-CB 3.25Å; P363-Q366 PolarHBondContact O-N 3.13Å; F364-Q366 VanDerWaalsContact C-N 3.31Å; Q366-A369 PolarHBondContact O-N 2.83Å; Q366-K370 VanDerWaalsContact O-CG 3.31Å; Q366-K370 WeakPolarHBondContact O-CG 3.07Å; Q366-K370 PolarHBondContact O-N 3.4Å
367	D	87.6	Confident	86.2	Confident	17 Å²	17	24 Å²	24	9%	0.091	13%	0.127	C	C	.	.	H	α-helix	trans	-69.7	-34.8	177.1	-73.8	-14.3	0	0	0	112.3	P363 F364 K370 W371 S394	P363-D367 PolarHBondContact O-N 3.08Å; F364-D367 PolarHBondContact O-N 3.33Å; D367-K370 WeakPolarHBondContact O-CB 3.43Å; D367-K370 PolarHBondContact O-N 3.16Å; D367-K370 IonicContact OD1-NZ 2.78Å; D367-K370 PolarHBondContact OD1-NZ 2.69Å; D367-W371 PolarHBondContact O-N 3.25Å; D367-S394 WeakPolarHBondContact OD2-CB 3.36Å; D367-S394 PolarHBondContact OD2-OG 3.04Å
368	L	88.3	Confident	85.7	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.6	-47.7	170.3	-177.9	68.6	0	0	0	111.5	Y316 F364 L365 K370 W371 V372 I395 L404 Q408 L412	Y316-L368 HydrophobicContact CE2-CD2 4.33Å; Y316-L368 WeakPolarHBondContact OH-CD2 3.25Å; Y316-L368 WeakPolarHBondContact OH-CG 3.49Å; F364-L368 WeakPolarHBondContact O-CB 3.43Å; F364-L368 PolarHBondContact O-N 3.49Å; L365-L368 HydrophobicContact CD2-CD2 4.37Å; L365-L368 PolarHBondContact O-N 2.85Å; L368-K370 VanDerWaalsContact C-N 3.3Å; L368-K370 PolarHBondContact O-N 3.04Å; L368-W371 PolarHBondContact O-N 2.98Å; L368-V372 WeakPolarHBondContact O-CG2 3.32Å; L368-V372 PolarHBondContact O-N 3.29Å; L368-I395 HydrophobicContact CD1-CD1 4.39Å; L368-L404 HydrophobicContact CD2-CD1 4.48Å; L368-L404 HydrophobicContact CD2-CD2 4.05Å; L368-Q408 HydrophobicContact CD2-CB 3.85Å; L368-Q408 HydrophobicContact CD2-CG 4.25Å; L368-L412 HydrophobicContact CD1-CB 3.84Å; L368-L412 HydrophobicContact CD1-CD1 3.53Å; L368-L412 HydrophobicContact CD1-CD2 3.88Å; L368-L412 HydrophobicContact CD1-CG 3.91Å
369	A	88.2	Confident	85	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.5	-40.4	176.4	0	0	0	0	0	111.7	Y316 Y319 C320 L365 Q366 V372 A373	Y316-A369 HydrophobicContact CE2-CB 3.83Å; Y319-A369 HydrophobicContact CD1-CB 3.59Å; Y319-A369 HydrophobicContact CE1-CB 3.84Å; C320-A369 WeakPolarHBondContact SG-CB 3.5Å; L365-A369 WeakPolarHBondContact O-CB 3.36Å; L365-A369 PolarHBondContact O-N 3.02Å; Q366-A369 PolarHBondContact O-N 2.83Å; A369-V372 PolarHBondContact O-N 3.39Å; A369-A373 VanDerWaalsContact O-CB 3.26Å; A369-A373 WeakPolarHBondContact O-CB 3.39Å; A369-A373 PolarHBondContact O-N 3.47Å
370	K	88.7	Confident	84	Confident	46 Å²	46	31.2 Å²	31.2	20%	0.2	17%	0.167	C	C	.	.	H	α-helix	trans	-58.6	-48	173	-70.6	170.4	-158.9	158.3	0	111.3	L323 Q366 D367 L368 A373 Y374 Q391	L323-K370 HydrophobicContact CD2-CB 4.22Å; L323-K370 HydrophobicContact CD2-CG 3.75Å; Q366-K370 VanDerWaalsContact O-CG 3.31Å; Q366-K370 WeakPolarHBondContact O-CG 3.07Å; Q366-K370 PolarHBondContact O-N 3.4Å; D367-K370 WeakPolarHBondContact O-CB 3.43Å; D367-K370 PolarHBondContact O-N 3.16Å; D367-K370 IonicContact OD1-NZ 2.78Å; D367-K370 PolarHBondContact OD1-NZ 2.69Å; L368-K370 VanDerWaalsContact C-N 3.3Å; L368-K370 PolarHBondContact O-N 3.04Å; K370-A373 PolarHBondContact O-N 3.08Å; K370-Y374 HydrophobicContact CB-CD2 4.23Å; K370-Y374 HydrophobicContact CB-CE2 3.78Å; K370-Y374 HydrophobicContact CG-CE2 4.22Å; K370-Y374 WeakPolarHBondContact O-CB 3.19Å; K370-Y374 WeakPolarHBondContact O-CD1 3.38Å; K370-Y374 WeakPolarHBondContact O-CD2 3.24Å; K370-Y374 PolarHBondContact O-N 3.08Å; K370-Q391 HydrophobicContact CB-CG 4.16Å
371	W	88.2	Confident	83.1	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.3	-50.3	175.8	171.2	-96.4	0	0	0	112.6	D367 L368 A373 Y374 S375 L388 Q391 L392 I395 S415 L416 I454	D367-W371 PolarHBondContact O-N 3.25Å; L368-W371 PolarHBondContact O-N 2.98Å; W371-A373 VanDerWaalsContact C-N 3.32Å; W371-A373 PolarHBondContact O-N 2.84Å; W371-Y374 PolarHBondContact O-N 3.46Å; W371-S375 WeakPolarHBondContact O-CB 3.26Å; W371-S375 PolarHBondContact O-N 2.89Å; W371-S375 PolarHBondContact O-OG 3.34Å; W371-L388 HydrophobicContact CE3-CD2 4.08Å; W371-L388 HydrophobicContact CZ3-CB 3.87Å; W371-L388 HydrophobicContact CZ3-CD2 3.86Å; W371-L388 HydrophobicContact CZ3-CG 4.37Å; W371-Q391 HydrophobicContact CB-CB 4.32Å; W371-Q391 HydrophobicContact CE3-CB 4.34Å; W371-L392 HydrophobicContact CD2-CD2 4.17Å; W371-L392 HydrophobicContact CE3-CD1 4.46Å; W371-L392 HydrophobicContact CE3-CD2 3.86Å; W371-L392 HydrophobicContact CE3-CG 3.71Å; W371-L392 HydrophobicContact CH2-CD1 3.78Å; W371-L392 HydrophobicContact CH2-CD2 3.72Å; W371-L392 HydrophobicContact CH2-CG 3.8Å; W371-L392 HydrophobicContact CZ2-CD2 4.04Å; W371-L392 HydrophobicContact CZ3-CD1 3.57Å; W371-L392 HydrophobicContact CZ3-CD2 3.62Å; W371-L392 HydrophobicContact CZ3-CG 3.3Å; W371-I395 HydrophobicContact CB-CD1 3.45Å; W371-I395 VanDerWaalsContact CB-CD1 3.45Å; W371-I395 HydrophobicContact CG-CD1 3.81Å; W371-S415 PolarHBondContact NE1-OG 3.08Å; W371-L416 HydrophobicContact CH2-CD2 4.39Å; W371-L416 HydrophobicContact CZ2-CD2 3.51Å; W371-L416 HydrophobicContact CZ2-CG 4.49Å; W371-I454 HydrophobicContact CH2-CD1 3.94Å; W371-I454 HydrophobicContact CH2-CG1 4.25Å; W371-I454 HydrophobicContact CZ2-CD1 4.22Å
372	V	87.3	Confident	81.9	Confident	2 Å²	2	36 Å²	36	1%	0.012	19%	0.188	C	C	.	.	H	α-helix	trans	-63.2	-40.4	-177.7	174.8	0	0	0	0	111.2	L368 A369 S375 K376 E411	L368-V372 WeakPolarHBondContact O-CG2 3.32Å; L368-V372 PolarHBondContact O-N 3.29Å; A369-V372 PolarHBondContact O-N 3.39Å; V372-S375 PolarHBondContact O-OG 3.04Å; V372-S375 VanDerWaalsContact O-OG 3.09Å; V372-K376 HydrophobicContact CG1-CD 4.46Å; V372-K376 WeakPolarHBondContact O-CG 3.24Å; V372-K376 PolarHBondContact O-N 3.39Å; V372-E411 HydrophobicContact CG1-CG 4.13Å; V372-E411 HydrophobicContact CG2-CG 4.2Å
373	A	83	Confident	81.2	Confident	3 Å²	3	35.3 Å²	35.3	3%	0.025	18%	0.182	C	C	.	.	H	α-helix	trans	-69.1	-49.3	176.8	0	0	0	0	0	111.4	L323 A369 K370 W371 S375 K376 L377	L323-A373 HydrophobicContact CD2-CB 3.94Å; L323-A373 HydrophobicContact CG-CB 4.24Å; A369-A373 VanDerWaalsContact O-CB 3.26Å; A369-A373 WeakPolarHBondContact O-CB 3.39Å; A369-A373 PolarHBondContact O-N 3.47Å; K370-A373 PolarHBondContact O-N 3.08Å; W371-A373 VanDerWaalsContact C-N 3.32Å; W371-A373 PolarHBondContact O-N 2.84Å; A373-S375 PolarHBondContact O-N 3.21Å; A373-K376 PolarHBondContact O-N 2.95Å; A373-L377 WeakPolarHBondContact O-CB 3.48Å; A373-L377 VanDerWaalsContact O-CG 3.25Å; A373-L377 WeakPolarHBondContact O-CG 3.35Å; A373-L377 PolarHBondContact O-N 2.88Å
374	Y	85.4	Confident	80.6	Confident	8 Å²	8	32.9 Å²	32.9	3%	0.031	17%	0.165	C	C	.	.	H	α-helix	trans	-69.1	-36.1	-175.3	-60.4	-9.8	0	0	0	112.5	L323 V327 W340 K370 W371 L377 Y378 V387 Q391	L323-Y374 HydrophobicContact CD1-CE1 4.29Å; L323-Y374 HydrophobicContact CD2-CE1 4.14Å; L323-Y374 HydrophobicContact CG-CE1 4.26Å; V327-Y374 HydrophobicContact CG2-CD1 4.46Å; V327-Y374 HydrophobicContact CG2-CE1 3.86Å; W340-Y374 HydrophobicContact CH2-CD1 4.08Å; W340-Y374 AromaticContact CH2-CE1 3.49Å; W340-Y374 HydrophobicContact CH2-CE1 3.49Å; W340-Y374 VanDerWaalsContact CH2-CE1 3.49Å; W340-Y374 HydrophobicContact CH2-CE2 4.3Å; W340-Y374 AromaticContact CH2-CZ 3.6Å; W340-Y374 AromaticContact CZ3-CD1 3.89Å; W340-Y374 HydrophobicContact CZ3-CD1 3.89Å; W340-Y374 AromaticContact CZ3-CE1 3.79Å; W340-Y374 HydrophobicContact CZ3-CE1 3.79Å; W340-Y374 HydrophobicContact CZ3-CG 4.33Å; K370-Y374 HydrophobicContact CB-CD2 4.23Å; K370-Y374 HydrophobicContact CB-CE2 3.78Å; K370-Y374 HydrophobicContact CG-CE2 4.22Å; K370-Y374 WeakPolarHBondContact O-CB 3.19Å; K370-Y374 WeakPolarHBondContact O-CD1 3.38Å; K370-Y374 WeakPolarHBondContact O-CD2 3.24Å; K370-Y374 PolarHBondContact O-N 3.08Å; W371-Y374 PolarHBondContact O-N 3.46Å; Y374-L377 HydrophobicContact CD1-CD1 4.46Å; Y374-L377 PolarHBondContact O-N 3.47Å; Y374-Y378 WeakPolarHBondContact O-CB 3.21Å; Y374-Y378 PolarHBondContact O-N 3.41Å; Y374-V387 HydrophobicContact CD2-CG1 3.65Å; Y374-V387 HydrophobicContact CE2-CG1 3.73Å; Y374-Q391 HydrophobicContact CD2-CG 4.12Å; Y374-Q391 HydrophobicContact CE2-CG 4.24Å
375	S	84.5	Confident	79.8	Confident	3 Å²	3	33.5 Å²	33.5	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-64.2	-40.5	175.8	59.8	0	0	0	0	112.2	W371 V372 A373 S415	W371-S375 WeakPolarHBondContact O-CB 3.26Å; W371-S375 PolarHBondContact O-N 2.89Å; W371-S375 PolarHBondContact O-OG 3.34Å; V372-S375 PolarHBondContact O-OG 3.04Å; V372-S375 VanDerWaalsContact O-OG 3.09Å; A373-S375 PolarHBondContact O-N 3.21Å; S375-S415 PolarHBondContact OG-OG 2.94Å
376	K	81.2	Confident	79.2	Confident	95 Å²	95	35.2 Å²	35.2	41%	0.413	18%	0.184	S	C	.	.	H	α-helix	trans	-66.4	-42.3	172.3	-72.5	174.4	-178.5	169.7	0	111.7	V372 A373 Y378 Q379	V372-K376 HydrophobicContact CG1-CD 4.46Å; V372-K376 WeakPolarHBondContact O-CG 3.24Å; V372-K376 PolarHBondContact O-N 3.39Å; A373-K376 PolarHBondContact O-N 2.95Å; K376-Y378 VanDerWaalsContact C-N 3.33Å; K376-Y378 PolarHBondContact O-N 3.18Å; K376-Q379 WeakPolarHBondContact O-CB 3.44Å; K376-Q379 PolarHBondContact O-N 3.48Å
377	L	76.8	Confident	78.7	Confident	3 Å²	3	33.9 Å²	33.9	2%	0.016	18%	0.178	C	C	.	.	H	α-helix	trans	-67.4	-33.5	178.9	-70.6	166	0	0	0	112.4	Q324 V327 A373 Y374 Q379 S380 L381 V383	Q324-L377 HydrophobicContact CG-CD1 4.48Å; Q324-L377 HydrophobicContact CG-CD2 4.09Å; Q324-L377 HydrophobicContact CG-CG 4.35Å; V327-L377 HydrophobicContact CB-CD1 3.7Å; V327-L377 HydrophobicContact CG1-CD1 3.54Å; V327-L377 HydrophobicContact CG2-CD1 4.29Å; A373-L377 WeakPolarHBondContact O-CB 3.48Å; A373-L377 VanDerWaalsContact O-CG 3.25Å; A373-L377 WeakPolarHBondContact O-CG 3.35Å; A373-L377 PolarHBondContact O-N 2.88Å; Y374-L377 HydrophobicContact CD1-CD1 4.46Å; Y374-L377 PolarHBondContact O-N 3.47Å; L377-Q379 PolarHBondContact O-N 3.09Å; L377-S380 CarbonylContact O-C 3.47Å; L377-S380 PolarHBondContact O-N 2.77Å; L377-S380 PolarHBondContact O-OG 3.14Å; L377-L381 HydrophobicContact CD2-CD1 3.96Å; L377-L381 PolarHBondContact O-N 3.48Å; L377-V383 HydrophobicContact CB-CG2 4.48Å
378	Y	76.3	Confident	78.5	Confident	32 Å²	32	33 Å²	33	13%	0.125	17%	0.174	C	C	.	.	H	α-helix	trans	-60	-26.3	174.5	-170.1	-85.5	0	0	0	112.5	Y374 K376 S380 V383 L388 F419 Y422 L426 L447	Y374-Y378 WeakPolarHBondContact O-CB 3.21Å; Y374-Y378 PolarHBondContact O-N 3.41Å; K376-Y378 VanDerWaalsContact C-N 3.33Å; K376-Y378 PolarHBondContact O-N 3.18Å; Y378-S380 VanDerWaalsContact C-N 3.31Å; Y378-V383 HydrophobicContact CD2-CB 4.08Å; Y378-V383 WeakPolarHBondContact CE2-O 3.39Å; Y378-L388 HydrophobicContact CD2-CD1 3.73Å; Y378-L388 HydrophobicContact CE2-CD1 4.32Å; Y378-L388 HydrophobicContact CG-CD1 4.04Å; Y378-F419 HydrophobicContact CD1-CD2 4.48Å; Y378-F419 AromaticContact CD1-CE2 3.48Å; Y378-F419 HydrophobicContact CD1-CE2 3.48Å; Y378-F419 VanDerWaalsContact CD1-CE2 3.48Å; Y378-F419 HydrophobicContact CD1-CZ 4.04Å; Y378-F419 HydrophobicContact CE1-CE2 4.07Å; Y378-F419 HydrophobicContact CE1-CZ 4.16Å; Y378-F419 AromaticContact CG-CE2 3.76Å; Y378-F419 HydrophobicContact CG-CE2 3.76Å; Y378-F419 HydrophobicContact CG-CZ 4.43Å; Y378-Y422 HydrophobicContact CD1-CD1 4.39Å; Y378-Y422 AromaticContact CD1-CE1 3.95Å; Y378-Y422 HydrophobicContact CD1-CE1 3.95Å; Y378-Y422 HydrophobicContact CE1-CE1 4.17Å; Y378-L426 HydrophobicContact CE1-CD1 4.16Å; Y378-L447 HydrophobicContact CE1-CD1 4.4Å
379	Q	73	Confident	78.1	Confident	88 Å²	88	37 Å²	37	41%	0.411	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-22.2	175.5	-60.9	178.3	-3.8	0	0	113	K376 L377 Y422	K376-Q379 WeakPolarHBondContact O-CB 3.44Å; K376-Q379 PolarHBondContact O-N 3.48Å; L377-Q379 PolarHBondContact O-N 3.09Å; Q379-Y422 HydrophobicContact CB-CE1 4.37Å; Q379-Y422 HydrophobicContact CB-CE2 4.37Å; Q379-Y422 HydrophobicContact CG-CD1 3.86Å; Q379-Y422 HydrophobicContact CG-CD2 4.18Å; Q379-Y422 HydrophobicContact CG-CE1 4.06Å; Q379-Y422 HydrophobicContact CG-CE2 4.38Å; Q379-Y422 HydrophobicContact CG-CG 3.91Å
380	S	68.3	Low	77.8	Confident	83 Å²	83	42.8 Å²	42.8	58%	0.58	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.7	-18.8	-173.2	60.1	0	0	0	0	114.7	L377 Y378	L377-S380 CarbonylContact O-C 3.47Å; L377-S380 PolarHBondContact O-N 2.77Å; L377-S380 PolarHBondContact O-OG 3.14Å; Y378-S380 VanDerWaalsContact C-N 3.31Å
381	L	67.6	Low	77.7	Confident	56 Å²	56	41.2 Å²	41.2	29%	0.293	21%	0.211	S	C	.	.	S	Bend	trans	-142.1	151.1	-173.3	-62.4	173.3	0	0	0	111.3	I331 L377 V383	I331-L381 HydrophobicContact CB-CD1 4.38Å; I331-L381 HydrophobicContact CD1-CB 4.21Å; I331-L381 HydrophobicContact CD1-CD1 3.62Å; I331-L381 HydrophobicContact CG2-CD1 4.24Å; I331-L381 HydrophobicContact CG2-CD2 4.27Å; L377-L381 HydrophobicContact CD2-CD1 3.96Å; L377-L381 PolarHBondContact O-N 3.48Å; L381-V383 PolarHBondContact O-N 3.31Å
382	E	64.1	Low	77.5	Confident	139 Å²	139	41.3 Å²	41.3	65%	0.65	21%	0.212	S	C	*	.			trans	-73.4	94	175.9	-68.4	-164	167.1	0	0	111.6
383	V	70.8	Confident	77.4	Confident	8 Å²	8	44.3 Å²	44.3	5%	0.048	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-102.1	140.4	174.9	179.5	0	0	0	0	110.1	W340 L377 Y378 L381 S385 V387	W340-V383 HydrophobicContact CE3-CG1 3.99Å; W340-V383 HydrophobicContact CE3-CG2 4.29Å; W340-V383 HydrophobicContact CZ3-CG1 4.49Å; L377-V383 HydrophobicContact CB-CG2 4.48Å; Y378-V383 HydrophobicContact CD2-CB 4.08Å; Y378-V383 WeakPolarHBondContact CE2-O 3.39Å; L381-V383 PolarHBondContact O-N 3.31Å; V383-S385 PolarHBondContact O-N 2.99Å; V383-V387 HydrophobicContact CG1-CB 4.48Å
384	D	71.1	Confident	77.5	Confident	38 Å²	38	45 Å²	45	20%	0.203	24%	0.235	C	C	.	.			trans	-65.6	128.2	175	-167.6	-64.6	0	0	0	110.1	P339 W340 S386 V387	P339-D384 HydrophobicContact CB-CB 4.08Å; P339-D384 HydrophobicContact CG-CB 4.23Å; W340-D384 WeakPolarHBondContact O-CB 3.38Å; W340-D384 PolarHBondContact O-N 2.84Å; W340-D384 VanDerWaalsContact O-N 3.07Å; D384-S386 PolarHBondContact O-N 3.35Å; D384-S386 WeakPolarHBondContact OD1-CB 3.38Å; D384-S386 PolarHBondContact OD1-N 3.28Å; D384-S386 PolarHBondContact OD1-OG 3.49Å; D384-V387 HydrophobicContact CB-CG2 4.29Å; D384-V387 WeakPolarHBondContact O-CB 3.45Å; D384-V387 WeakPolarHBondContact O-CG2 3.19Å; D384-V387 PolarHBondContact O-N 2.82Å; D384-V387 VanDerWaalsContact O-N 3.15Å
385	S	70.4	Confident	77.5	Confident	15 Å²	15	44.8 Å²	44.8	11%	0.105	23%	0.234	C	C	.	.	H	α-helix	trans	-64.3	-23.4	-175.9	45.2	0	0	0	0	112.7	V383 V387 L388 F389 T446 I450	V383-S385 PolarHBondContact O-N 2.99Å; S385-V387 VanDerWaalsContact C-N 3.26Å; S385-V387 PolarHBondContact O-N 3.31Å; S385-L388 PolarHBondContact O-N 3.07Å; S385-F389 PolarHBondContact O-N 2.93Å; S385-T446 VanDerWaalsContact OG-CB 3.29Å; S385-T446 WeakPolarHBondContact OG-CB 3.24Å; S385-T446 WeakPolarHBondContact OG-CG2 3.17Å; S385-I450 VanDerWaalsContact O-CD1 3.24Å; S385-I450 WeakPolarHBondContact O-CD1 3.46Å
386	S	73.6	Confident	77.5	Confident	64 Å²	64	46.8 Å²	46.8	45%	0.448	24%	0.243	S	C	.	.	H	α-helix	trans	-63	-29.3	174.6	64.1	0	0	0	0	113.8	D384 L388 F389 H390	D384-S386 PolarHBondContact O-N 3.35Å; D384-S386 WeakPolarHBondContact OD1-CB 3.38Å; D384-S386 PolarHBondContact OD1-N 3.28Å; D384-S386 PolarHBondContact OD1-OG 3.49Å; S386-L388 VanDerWaalsContact C-N 3.33Å; S386-L388 PolarHBondContact O-N 3Å; S386-F389 WeakPolarHBondContact O-CB 3.33Å; S386-F389 PolarHBondContact O-N 3.44Å; S386-H390 PolarHBondContact O-N 2.93Å
387	V	79.4	Confident	77.6	Confident	11 Å²	11	49.9 Å²	49.9	7%	0.067	25%	0.253	C	S	.	.	H	α-helix	trans	-64.2	-42.1	179.5	-176.7	0	0	0	0	110.7	K341 Y374 V383 D384 S385 F389 H390 Q391	K341-V387 WeakPolarHBondContact O-CG2 3.16Å; Y374-V387 HydrophobicContact CD2-CG1 3.65Å; Y374-V387 HydrophobicContact CE2-CG1 3.73Å; V383-V387 HydrophobicContact CG1-CB 4.48Å; D384-V387 HydrophobicContact CB-CG2 4.29Å; D384-V387 WeakPolarHBondContact O-CB 3.45Å; D384-V387 WeakPolarHBondContact O-CG2 3.19Å; D384-V387 PolarHBondContact O-N 2.82Å; D384-V387 VanDerWaalsContact O-N 3.15Å; S385-V387 VanDerWaalsContact C-N 3.26Å; S385-V387 PolarHBondContact O-N 3.31Å; V387-F389 VanDerWaalsContact C-N 3.31Å; V387-F389 PolarHBondContact O-N 3.41Å; V387-H390 PolarHBondContact O-N 3.41Å; V387-Q391 PolarHBondContact O-N 3.01Å
388	L	81.5	Confident	77.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.9	-35.2	177.8	-69.1	178.5	0	0	0	111.7	W371 Y378 S385 S386 Q391 L392 F419 I450	W371-L388 HydrophobicContact CE3-CD2 4.08Å; W371-L388 HydrophobicContact CZ3-CB 3.87Å; W371-L388 HydrophobicContact CZ3-CD2 3.86Å; W371-L388 HydrophobicContact CZ3-CG 4.37Å; Y378-L388 HydrophobicContact CD2-CD1 3.73Å; Y378-L388 HydrophobicContact CE2-CD1 4.32Å; Y378-L388 HydrophobicContact CG-CD1 4.04Å; S385-L388 PolarHBondContact O-N 3.07Å; S386-L388 VanDerWaalsContact C-N 3.33Å; S386-L388 PolarHBondContact O-N 3Å; L388-Q391 PolarHBondContact O-N 3.35Å; L388-L392 WeakPolarHBondContact O-CG 3.35Å; L388-L392 PolarHBondContact O-N 2.77Å; L388-F419 HydrophobicContact CD1-CE2 3.63Å; L388-F419 HydrophobicContact CD1-CZ 3.69Å; L388-I450 HydrophobicContact CB-CD1 4.24Å
389	F	80.1	Confident	78.2	Confident	83 Å²	83	51.2 Å²	51.2	36%	0.364	26%	0.259	S	S	.	.	H	α-helix	trans	-65.7	-41.8	178.6	-169.4	-93.4	0	0	0	112.7	S385 S386 V387 Q391 L392 T393 Q453	S385-F389 PolarHBondContact O-N 2.93Å; S386-F389 WeakPolarHBondContact O-CB 3.33Å; S386-F389 PolarHBondContact O-N 3.44Å; V387-F389 VanDerWaalsContact C-N 3.31Å; V387-F389 PolarHBondContact O-N 3.41Å; F389-Q391 VanDerWaalsContact C-N 3.33Å; F389-Q391 PolarHBondContact O-N 2.87Å; F389-L392 PolarHBondContact O-N 3.29Å; F389-T393 PolarHBondContact O-N 3.34Å; F389-T393 PolarHBondContact O-OG1 3.46Å; F389-Q453 HydrophobicContact CD2-CB 4.47Å; F389-Q453 HydrophobicContact CD2-CG 4.28Å; F389-Q453 HydrophobicContact CE2-CB 4.12Å; F389-Q453 HydrophobicContact CE2-CG 3.79Å
390	H	83	Confident	78.5	Confident	122 Å²	122	52.8 Å²	52.8	57%	0.565	27%	0.267	S	S	*	.	H	α-helix	trans	-59.1	-45.7	175	179.7	-81.9	0	0	0	111.2	S386 V387 T393 S394	S386-H390 PolarHBondContact O-N 2.93Å; V387-H390 PolarHBondContact O-N 3.41Å; H390-T393 PolarHBondContact O-N 3.46Å; H390-S394 PolarHBondContact O-N 3.38Å
391	Q	85.9	Confident	78.8	Confident	13 Å²	13	54.5 Å²	54.5	6%	0.061	27%	0.265	C	S	.	.	H	α-helix	trans	-66.8	-41.3	-179.2	-59.5	-52.5	-21.8	0	0	112.6	K370 W371 Y374 V387 L388 F389 T393 S394 I395	K370-Q391 HydrophobicContact CB-CG 4.16Å; W371-Q391 HydrophobicContact CB-CB 4.32Å; W371-Q391 HydrophobicContact CE3-CB 4.34Å; Y374-Q391 HydrophobicContact CD2-CG 4.12Å; Y374-Q391 HydrophobicContact CE2-CG 4.24Å; V387-Q391 PolarHBondContact O-N 3.01Å; L388-Q391 PolarHBondContact O-N 3.35Å; F389-Q391 VanDerWaalsContact C-N 3.33Å; F389-Q391 PolarHBondContact O-N 2.87Å; Q391-T393 VanDerWaalsContact C-N 3.28Å; Q391-T393 PolarHBondContact O-N 2.88Å; Q391-S394 PolarHBondContact O-N 3.27Å; Q391-I395 WeakPolarHBondContact O-CB 3.33Å; Q391-I395 VanDerWaalsContact O-CG1 3.29Å; Q391-I395 WeakPolarHBondContact O-CG1 3.32Å; Q391-I395 PolarHBondContact O-N 3.33Å
392	L	85.2	Confident	79.1	Confident	2 Å²	2	56 Å²	56	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-59.5	-40.2	173.8	-75.3	168	0	0	0	112.3	W371 L388 F389 I395 E396 L416 I450 Q453 I454 T457	W371-L392 HydrophobicContact CD2-CD2 4.17Å; W371-L392 HydrophobicContact CE3-CD1 4.46Å; W371-L392 HydrophobicContact CE3-CD2 3.86Å; W371-L392 HydrophobicContact CE3-CG 3.71Å; W371-L392 HydrophobicContact CH2-CD1 3.78Å; W371-L392 HydrophobicContact CH2-CD2 3.72Å; W371-L392 HydrophobicContact CH2-CG 3.8Å; W371-L392 HydrophobicContact CZ2-CD2 4.04Å; W371-L392 HydrophobicContact CZ3-CD1 3.57Å; W371-L392 HydrophobicContact CZ3-CD2 3.62Å; W371-L392 HydrophobicContact CZ3-CG 3.3Å; L388-L392 WeakPolarHBondContact O-CG 3.35Å; L388-L392 PolarHBondContact O-N 2.77Å; F389-L392 PolarHBondContact O-N 3.29Å; L392-I395 PolarHBondContact O-N 2.97Å; L392-E396 WeakPolarHBondContact O-CB 3.38Å; L392-E396 PolarHBondContact O-N 3.46Å; L392-L416 HydrophobicContact CD2-CD2 3.75Å; L392-I450 HydrophobicContact CD1-CG2 4.03Å; L392-Q453 HydrophobicContact CD1-CG 4.5Å; L392-I454 HydrophobicContact CD1-CG1 3.72Å; L392-I454 HydrophobicContact CD2-CG1 4.06Å; L392-T457 HydrophobicContact CD2-CG2 4.42Å
393	T	85.1	Confident	79.6	Confident	65 Å²	65	57.8 Å²	57.8	40%	0.399	28%	0.279	S	S	.	.	H	α-helix	trans	-67.5	-41.7	178.8	-52.4	0	0	0	0	111.2	F389 H390 Q391 E396 Y397	F389-T393 PolarHBondContact O-N 3.34Å; F389-T393 PolarHBondContact O-OG1 3.46Å; H390-T393 PolarHBondContact O-N 3.46Å; Q391-T393 VanDerWaalsContact C-N 3.28Å; Q391-T393 PolarHBondContact O-N 2.88Å; T393-E396 PolarHBondContact O-N 2.85Å; T393-Y397 PolarHBondContact O-N 3.3Å
394	S	84.2	Confident	80	Confident	17 Å²	17	57.8 Å²	57.8	12%	0.119	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-43.1	175.7	-168.4	0	0	0	0	112.1	D367 H390 Q391 E396 Y397 H398	D367-S394 WeakPolarHBondContact OD2-CB 3.36Å; D367-S394 PolarHBondContact OD2-OG 3.04Å; H390-S394 PolarHBondContact O-N 3.38Å; Q391-S394 PolarHBondContact O-N 3.27Å; S394-E396 VanDerWaalsContact C-N 3.33Å; S394-E396 PolarHBondContact O-N 3.48Å; S394-Y397 PolarHBondContact O-N 3.16Å; S394-H398 PolarHBondContact O-N 3.33Å; S394-H398 VanDerWaalsContact O-N 3.12Å; S394-H398 PolarHBondContact O-ND1 2.92Å; S394-H398 PolarHBondContact OG-CE1 3.36Å; S394-H398 PolarHBondContact OG-ND1 3.26Å
395	I	85.3	Confident	80.5	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-60.9	-43.6	177.3	-70.8	166.6	0	0	0	110.7	F364 L368 W371 Q391 L392 H398 W399 L412	F364-I395 HydrophobicContact CE2-CG2 4.26Å; L368-I395 HydrophobicContact CD1-CD1 4.39Å; W371-I395 HydrophobicContact CB-CD1 3.45Å; W371-I395 VanDerWaalsContact CB-CD1 3.45Å; W371-I395 HydrophobicContact CG-CD1 3.81Å; Q391-I395 WeakPolarHBondContact O-CB 3.33Å; Q391-I395 VanDerWaalsContact O-CG1 3.29Å; Q391-I395 WeakPolarHBondContact O-CG1 3.32Å; Q391-I395 PolarHBondContact O-N 3.33Å; L392-I395 PolarHBondContact O-N 2.97Å; I395-H398 PolarHBondContact O-N 3.45Å; I395-W399 WeakPolarHBondContact O-CB 3.31Å; I395-W399 PolarHBondContact O-N 2.92Å; I395-L412 HydrophobicContact CD1-CD1 4.36Å; I395-L412 HydrophobicContact CG2-CD2 4.22Å
396	E	84.6	Confident	81	Confident	45 Å²	45	67.4 Å²	67.4	21%	0.21	32%	0.321	C	S	.	.	H	α-helix	trans	-64.7	-40	177.9	-173.3	65.8	-162.3	0	0	112.2	L392 T393 S394 H398 W399 T457 Q458	L392-E396 WeakPolarHBondContact O-CB 3.38Å; L392-E396 PolarHBondContact O-N 3.46Å; T393-E396 PolarHBondContact O-N 2.85Å; S394-E396 VanDerWaalsContact C-N 3.33Å; S394-E396 PolarHBondContact O-N 3.48Å; E396-H398 PolarHBondContact O-N 2.98Å; E396-W399 WeakPolarHBondContact O-CB 3.3Å; E396-W399 PolarHBondContact O-N 3.44Å; E396-T457 VanDerWaalsContact OE2-CA 3.28Å; E396-T457 WeakPolarHBondContact OE2-CA 3.21Å; E396-T457 VanDerWaalsContact OE2-CB 3.26Å; E396-T457 WeakPolarHBondContact OE2-CB 3.43Å; E396-Q458 WeakPolarHBondContact OE1-CB 3.4Å; E396-Q458 VanDerWaalsContact OE1-CG 3.23Å; E396-Q458 WeakPolarHBondContact OE1-CG 3.47Å; E396-Q458 PolarHBondContact OE1-N 3.03Å; E396-Q458 PolarHBondContact OE2-N 3.21Å
397	Y	84.3	Confident	81.5	Confident	159 Å²	159	70.2 Å²	70.2	62%	0.624	33%	0.327	S	S	*	.	H	α-helix	trans	-61.3	-43.3	177.4	177.7	-99.4	0	0	0	112.4	T393 S394 Q401	T393-Y397 PolarHBondContact O-N 3.3Å; S394-Y397 PolarHBondContact O-N 3.16Å; Y397-Q401 PolarHBondContact O-NE2 3.39Å
398	H	81.6	Confident	81.7	Confident	36 Å²	36	70.5 Å²	70.5	17%	0.167	33%	0.328	C	S	.	.	H	α-helix	trans	-84.5	-12.2	-177.7	-64.4	102.7	0	0	0	113.9	F364 S394 I395 E396 H400 Q401 Q402	F364-H398 HydrophobicContact CB-CB 4.11Å; F364-H398 HydrophobicContact CD1-CB 4.45Å; F364-H398 HydrophobicContact CD2-CB 3.37Å; F364-H398 HydrophobicContact CE2-CB 3.77Å; F364-H398 HydrophobicContact CG-CB 3.77Å; F364-H398 HydrophobicContact CZ-CB 4.42Å; S394-H398 PolarHBondContact O-N 3.33Å; S394-H398 VanDerWaalsContact O-N 3.12Å; S394-H398 PolarHBondContact O-ND1 2.92Å; S394-H398 PolarHBondContact OG-CE1 3.36Å; S394-H398 PolarHBondContact OG-ND1 3.26Å; I395-H398 PolarHBondContact O-N 3.45Å; E396-H398 PolarHBondContact O-N 2.98Å; H398-H400 PolarHBondContact O-N 3.29Å; H398-H400 VanDerWaalsContact O-N 3.09Å; H398-Q401 PolarHBondContact O-N 3Å; H398-Q402 PolarHBondContact O-N 2.99Å
399	W	83	Confident	81.8	Confident	27 Å²	27	73.7 Å²	73.7	10%	0.102	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-32.1	-173.8	-174.5	-111.6	0	0	0	114.6	F364 I395 E396 L404 L412 A459 K462 L463	F364-W399 HydrophobicContact CZ-CE3 4.25Å; I395-W399 WeakPolarHBondContact O-CB 3.31Å; I395-W399 PolarHBondContact O-N 2.92Å; E396-W399 WeakPolarHBondContact O-CB 3.3Å; E396-W399 PolarHBondContact O-N 3.44Å; W399-L404 HydrophobicContact CE3-CD1 4.25Å; W399-L404 HydrophobicContact CZ3-CD1 3.69Å; W399-L412 HydrophobicContact CZ3-CD2 3.8Å; W399-A459 HydrophobicContact CD2-CB 4.01Å; W399-A459 HydrophobicContact CE3-CB 3.78Å; W399-A459 HydrophobicContact CH2-CB 3.91Å; W399-A459 HydrophobicContact CZ2-CB 4.13Å; W399-A459 HydrophobicContact CZ3-CB 3.71Å; W399-K462 HydrophobicContact CZ2-CB 4.44Å; W399-K462 HydrophobicContact CZ2-CD 4.2Å; W399-L463 HydrophobicContact CH2-CD1 4.13Å; W399-L463 HydrophobicContact CH2-CG 4.36Å
400	H	78.9	Confident	82	Confident	122 Å²	122	74.2 Å²	74.2	57%	0.565	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-14.1	178.1	-64.8	-72.9	0	0	0	114.2	H398 Q458	H398-H400 PolarHBondContact O-N 3.29Å; H398-H400 VanDerWaalsContact O-N 3.09Å; H400-Q458 PolarHBondContact CE1-OE1 2.98Å; H400-Q458 PolarHBondContact NE2-NE2 3.07Å; H400-Q458 PolarHBondContact NE2-OE1 3.26Å
401	Q	75.4	Confident	82.1	Confident	118 Å²	118	70.9 Å²	70.9	55%	0.551	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-26	-171.7	-59.2	-178	9.9	0	0	112.3	Y397 H398	Y397-Q401 PolarHBondContact O-NE2 3.39Å; H398-Q401 PolarHBondContact O-N 3Å
402	Q	74.1	Confident	82.2	Confident	89 Å²	89	70.3 Å²	70.3	42%	0.416	33%	0.327	S	S	.	.	S	Bend	trans	-143.2	134	-176.6	-169.8	176.4	10.7	0	0	111.8	S362 F364 H398 L404	S362-Q402 PolarHBondContact OG-OE1 3.29Å; S362-Q402 VanDerWaalsContact OG-OE1 3.11Å; F364-Q402 HydrophobicContact CD1-CB 4.05Å; F364-Q402 HydrophobicContact CE1-CB 4.4Å; H398-Q402 PolarHBondContact O-N 2.99Å; Q402-L404 PolarHBondContact O-N 2.9Å
403	E	74.4	Confident	82.2	Confident	176 Å²	176	70.6 Å²	70.6	82%	0.822	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-77.8	116.3	171	-72.5	-162.9	153.6	0	0	111.2
404	L	79.6	Confident	82.2	Confident	8 Å²	8	72.4 Å²	72.4	4%	0.042	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-69.9	142.3	173.8	-73.8	165.9	0	0	0	111.8	F364 L365 L368 W399 Q402 Q408 K409 L412	F364-L404 HydrophobicContact CD1-CD2 3.83Å; F364-L404 HydrophobicContact CD1-CG 4.23Å; F364-L404 HydrophobicContact CE1-CD1 3.74Å; F364-L404 HydrophobicContact CE1-CD2 3.45Å; F364-L404 VanDerWaalsContact CE1-CD2 3.45Å; F364-L404 HydrophobicContact CE1-CG 3.37Å; F364-L404 HydrophobicContact CZ-CD1 3.6Å; F364-L404 HydrophobicContact CZ-CD2 4.07Å; F364-L404 HydrophobicContact CZ-CG 3.82Å; L365-L404 HydrophobicContact CD2-CD2 3.85Å; L368-L404 HydrophobicContact CD2-CD1 4.48Å; L368-L404 HydrophobicContact CD2-CD2 4.05Å; W399-L404 HydrophobicContact CE3-CD1 4.25Å; W399-L404 HydrophobicContact CZ3-CD1 3.69Å; Q402-L404 PolarHBondContact O-N 2.9Å; L404-Q408 HydrophobicContact CD2-CB 4.38Å; L404-K409 HydrophobicContact CB-CD 4.26Å; L404-K409 HydrophobicContact CB-CG 3.55Å; L404-K409 HydrophobicContact CD1-CG 4.41Å; L404-K409 WeakPolarHBondContact O-CD 3.44Å; L404-K409 WeakPolarHBondContact O-CE 3.43Å; L404-K409 PolarHBondContact O-NZ 3.43Å; L404-L412 HydrophobicContact CD1-CD2 4.48Å
405	P	81.8	Confident	82.4	Confident	72 Å²	72	72.2 Å²	72.2	47%	0.468	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-64.8	156.4	170.1	-6	18.5	0	0	0	111.4	Q407 Q408 K409	P405-Q407 VanDerWaalsContact C-N 3.32Å; P405-Q407 PolarHBondContact O-N 3.38Å; P405-Q408 PolarHBondContact O-N 2.99Å; P405-K409 PolarHBondContact O-N 3.49Å
406	Y	81	Confident	82.5	Confident	182 Å²	182	72 Å²	72	71%	0.714	34%	0.335	S	S	*	.	H	α-helix	trans	-56.7	-41.8	-171.6	178.4	-92	0	0	0	113.3	Q408 K409 Q410	Y406-Q408 PolarHBondContact O-N 3Å; Y406-K409 PolarHBondContact O-N 3.3Å; Y406-Q410 PolarHBondContact O-N 2.96Å
407	Q	82.4	Confident	82.6	Confident	123 Å²	123	73 Å²	73	58%	0.575	34%	0.34	S	S	*	.	H	α-helix	trans	-64.1	-43.1	-178.2	-171.5	172.5	4.2	0	0	112	P405 Q410 E411	P405-Q407 VanDerWaalsContact C-N 3.32Å; P405-Q407 PolarHBondContact O-N 3.38Å; Q407-Q410 PolarHBondContact O-N 3.34Å; Q407-E411 PolarHBondContact O-N 3.37Å
408	Q	85.4	Confident	82.7	Confident	18 Å²	18	66.6 Å²	66.6	8%	0.084	32%	0.321	C	S	.	.	H	α-helix	trans	-70.1	-36.2	177.2	-71.7	78.1	5.3	0	0	111.9	Y316 L365 L368 L404 P405 Y406 Q410 E411 L412	Y316-Q408 HydrophobicContact CD1-CG 4.27Å; Y316-Q408 HydrophobicContact CE1-CG 4.02Å; L365-Q408 HydrophobicContact CD2-CG 4.19Å; L368-Q408 HydrophobicContact CD2-CB 3.85Å; L368-Q408 HydrophobicContact CD2-CG 4.25Å; L404-Q408 HydrophobicContact CD2-CB 4.38Å; P405-Q408 PolarHBondContact O-N 2.99Å; Y406-Q408 PolarHBondContact O-N 3Å; Q408-Q410 VanDerWaalsContact C-N 3.33Å; Q408-E411 PolarHBondContact O-N 3.34Å; Q408-L412 WeakPolarHBondContact O-CB 3.36Å; Q408-L412 PolarHBondContact O-N 2.84Å
409	K	83.4	Confident	83	Confident	66 Å²	66	64.9 Å²	64.9	29%	0.287	31%	0.314	S	S	.	.	H	α-helix	trans	-59.4	-45.1	171.8	-77.9	178.2	171.2	152.9	0	111.5	L404 P405 Y406 G413 L463	L404-K409 HydrophobicContact CB-CD 4.26Å; L404-K409 HydrophobicContact CB-CG 3.55Å; L404-K409 HydrophobicContact CD1-CG 4.41Å; L404-K409 WeakPolarHBondContact O-CD 3.44Å; L404-K409 WeakPolarHBondContact O-CE 3.43Å; L404-K409 PolarHBondContact O-NZ 3.43Å; P405-K409 PolarHBondContact O-N 3.49Å; Y406-K409 PolarHBondContact O-N 3.3Å; K409-G413 PolarHBondContact O-N 2.75Å; K409-L463 HydrophobicContact CB-CD2 4.05Å; K409-L463 WeakPolarHBondContact O-CD1 3.24Å
410	Q	83.3	Confident	83.2	Confident	95 Å²	95	63.7 Å²	63.7	44%	0.444	31%	0.309	S	S	.	.	H	α-helix	trans	-66.5	-45.3	178.3	-170.9	176.9	-12.8	0	0	111.4	Y406 Q407 Q408 L412 G413 D414	Y406-Q410 PolarHBondContact O-N 2.96Å; Q407-Q410 PolarHBondContact O-N 3.34Å; Q408-Q410 VanDerWaalsContact C-N 3.33Å; Q410-L412 VanDerWaalsContact C-N 3.33Å; Q410-L412 PolarHBondContact O-N 2.88Å; Q410-G413 PolarHBondContact O-N 3.47Å; Q410-G413 VanDerWaalsContact O-N 3.14Å; Q410-D414 WeakPolarHBondContact O-CB 3.42Å; Q410-D414 VanDerWaalsContact O-CG 3.29Å; Q410-D414 PolarHBondContact O-N 2.95Å
411	E	85.4	Confident	83.6	Confident	52 Å²	52	63.3 Å²	63.3	24%	0.243	31%	0.308	C	S	.	.	H	α-helix	trans	-61.7	-39.5	178.2	-173	175.9	-158.2	0	0	112.6	Y316 V372 Q407 Q408 S415	Y316-E411 VanDerWaalsContact CE1-OE2 3.31Å; Y316-E411 WeakPolarHBondContact CE1-OE2 3.23Å; V372-E411 HydrophobicContact CG1-CG 4.13Å; V372-E411 HydrophobicContact CG2-CG 4.2Å; Q407-E411 PolarHBondContact O-N 3.37Å; Q408-E411 PolarHBondContact O-N 3.34Å; E411-S415 WeakPolarHBondContact O-CB 3.45Å; E411-S415 PolarHBondContact O-N 3.22Å
412	L	87.2	Confident	84.3	Confident	1 Å²	1	61 Å²	61	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-61.5	-47.6	172.8	-179.3	57.1	0	0	0	111.2	L368 I395 W399 L404 Q408 Q410 S415 L416 A459 L463	L368-L412 HydrophobicContact CD1-CB 3.84Å; L368-L412 HydrophobicContact CD1-CD1 3.53Å; L368-L412 HydrophobicContact CD1-CD2 3.88Å; L368-L412 HydrophobicContact CD1-CG 3.91Å; I395-L412 HydrophobicContact CD1-CD1 4.36Å; I395-L412 HydrophobicContact CG2-CD2 4.22Å; W399-L412 HydrophobicContact CZ3-CD2 3.8Å; L404-L412 HydrophobicContact CD1-CD2 4.48Å; Q408-L412 WeakPolarHBondContact O-CB 3.36Å; Q408-L412 PolarHBondContact O-N 2.84Å; Q410-L412 VanDerWaalsContact C-N 3.33Å; Q410-L412 PolarHBondContact O-N 2.88Å; L412-S415 PolarHBondContact O-N 2.83Å; L412-L416 HydrophobicContact CD1-CD1 3.85Å; L412-L416 HydrophobicContact CD1-CD2 4.47Å; L412-L416 HydrophobicContact CD1-CG 3.92Å; L412-L416 HydrophobicContact CD2-CD1 4.49Å; L412-L416 HydrophobicContact CG-CD1 3.8Å; L412-L416 HydrophobicContact CG-CG 4.31Å; L412-L416 WeakPolarHBondContact O-CB 3.49Å; L412-L416 VanDerWaalsContact O-CG 3.25Å; L412-L416 WeakPolarHBondContact O-CG 3.24Å; L412-L416 PolarHBondContact O-N 2.96Å; L412-A459 HydrophobicContact CD2-CB 4.06Å; L412-L463 HydrophobicContact CB-CD1 4.34Å; L412-L463 HydrophobicContact CD2-CD1 4.19Å; L412-L463 HydrophobicContact CG-CD1 4.24Å
413	G	85.3	Confident	84.9	Confident	7 Å²	7	56.8 Å²	56.8	7%	0.072	28%	0.275	C	S	.	.	H	α-helix	trans	-59.8	-47.3	179	0	0	0	0	0	112.2	K409 Q410 L416 H417	K409-G413 PolarHBondContact O-N 2.75Å; Q410-G413 PolarHBondContact O-N 3.47Å; Q410-G413 VanDerWaalsContact O-N 3.14Å; G413-L416 PolarHBondContact O-N 3.28Å; G413-H417 VanDerWaalsContact O-CB 3.31Å; G413-H417 WeakPolarHBondContact O-CB 3.49Å; G413-H417 PolarHBondContact O-N 3.16Å
414	D	85.3	Confident	85.7	Confident	103 Å²	103	49.4 Å²	49.4	55%	0.551	24%	0.24	S	C	*	.	H	α-helix	trans	-62.9	-41.7	177.6	-69.4	-19.6	0	0	0	111.3	Q410 G418	Q410-D414 WeakPolarHBondContact O-CB 3.42Å; Q410-D414 VanDerWaalsContact O-CG 3.29Å; Q410-D414 PolarHBondContact O-N 2.95Å; D414-G418 PolarHBondContact O-N 3.41Å
415	S	88.6	Confident	86.2	Confident	13 Å²	13	51.9 Å²	51.9	9%	0.091	26%	0.258	C	S	.	.	H	α-helix	trans	-66.2	-46.3	176.8	167.8	0	0	0	0	112.4	W371 S375 E411 L412 G418 F419	W371-S415 PolarHBondContact NE1-OG 3.08Å; S375-S415 PolarHBondContact OG-OG 2.94Å; E411-S415 WeakPolarHBondContact O-CB 3.45Å; E411-S415 PolarHBondContact O-N 3.22Å; L412-S415 PolarHBondContact O-N 2.83Å; S415-G418 PolarHBondContact O-N 3.1Å; S415-F419 WeakPolarHBondContact O-CB 3.41Å; S415-F419 PolarHBondContact O-N 3.43Å
416	L	87.6	Confident	86.5	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-62.1	-45.4	177	-70.9	168.1	0	0	0	111.1	W371 L392 L412 G413 L420 I454 A459 F460	W371-L416 HydrophobicContact CH2-CD2 4.39Å; W371-L416 HydrophobicContact CZ2-CD2 3.51Å; W371-L416 HydrophobicContact CZ2-CG 4.49Å; L392-L416 HydrophobicContact CD2-CD2 3.75Å; L412-L416 HydrophobicContact CD1-CD1 3.85Å; L412-L416 HydrophobicContact CD1-CD2 4.47Å; L412-L416 HydrophobicContact CD1-CG 3.92Å; L412-L416 HydrophobicContact CD2-CD1 4.49Å; L412-L416 HydrophobicContact CG-CD1 3.8Å; L412-L416 HydrophobicContact CG-CG 4.31Å; L412-L416 WeakPolarHBondContact O-CB 3.49Å; L412-L416 VanDerWaalsContact O-CG 3.25Å; L412-L416 WeakPolarHBondContact O-CG 3.24Å; L412-L416 PolarHBondContact O-N 2.96Å; G413-L416 PolarHBondContact O-N 3.28Å; L416-L420 VanDerWaalsContact O-CB 3.31Å; L416-L420 WeakPolarHBondContact O-CB 3.35Å; L416-L420 PolarHBondContact O-N 3.04Å; L416-I454 HydrophobicContact CB-CG2 4.31Å; L416-I454 HydrophobicContact CD2-CG1 4.18Å; L416-I454 HydrophobicContact CD2-CG2 4.01Å; L416-A459 HydrophobicContact CD1-CB 4.48Å; L416-F460 HydrophobicContact CB-CD2 4.04Å; L416-F460 HydrophobicContact CD1-CB 4.37Å; L416-F460 HydrophobicContact CD1-CD2 4.47Å
417	H	85.9	Confident	87	Confident	66 Å²	66	40.6 Å²	40.6	31%	0.306	21%	0.206	S	C	.	.	H	α-helix	trans	-67.9	-43.9	178.9	-170.1	73.7	0	0	0	112.1	G413 F419 L420 Q421	G413-H417 VanDerWaalsContact O-CB 3.31Å; G413-H417 WeakPolarHBondContact O-CB 3.49Å; G413-H417 PolarHBondContact O-N 3.16Å; H417-F419 VanDerWaalsContact C-N 3.34Å; H417-F419 PolarHBondContact O-N 3.02Å; H417-L420 WeakPolarHBondContact O-CB 3.23Å; H417-L420 PolarHBondContact O-N 2.92Å; H417-Q421 PolarHBondContact NE2-NE2 3.2Å; H417-Q421 WeakPolarHBondContact O-CG 3.4Å; H417-Q421 PolarHBondContact O-N 3.43Å
418	G	86.3	Confident	87.5	Confident	23 Å²	23	35.6 Å²	35.6	24%	0.237	18%	0.184	C	C	.	.	H	α-helix	trans	-61.8	-40.5	176.7	0	0	0	0	0	112.6	D414 S415 Y422	D414-G418 PolarHBondContact O-N 3.41Å; S415-G418 PolarHBondContact O-N 3.1Å; G418-Y422 WeakPolarHBondContact O-CB 3.29Å; G418-Y422 PolarHBondContact O-N 3.45Å
419	F	88.1	Confident	87.8	Confident	1 Å²	1	39.2 Å²	39.2	0%	0.004	20%	0.2	C	C	.	.	H	α-helix	trans	-66.5	-40.7	174.1	-174.1	-88.8	0	0	0	112.1	Y378 L388 S415 H417 Y422 G423 L447 I450 L451 I454	Y378-F419 HydrophobicContact CD1-CD2 4.48Å; Y378-F419 AromaticContact CD1-CE2 3.48Å; Y378-F419 HydrophobicContact CD1-CE2 3.48Å; Y378-F419 VanDerWaalsContact CD1-CE2 3.48Å; Y378-F419 HydrophobicContact CD1-CZ 4.04Å; Y378-F419 HydrophobicContact CE1-CE2 4.07Å; Y378-F419 HydrophobicContact CE1-CZ 4.16Å; Y378-F419 AromaticContact CG-CE2 3.76Å; Y378-F419 HydrophobicContact CG-CE2 3.76Å; Y378-F419 HydrophobicContact CG-CZ 4.43Å; L388-F419 HydrophobicContact CD1-CE2 3.63Å; L388-F419 HydrophobicContact CD1-CZ 3.69Å; S415-F419 WeakPolarHBondContact O-CB 3.41Å; S415-F419 PolarHBondContact O-N 3.43Å; H417-F419 VanDerWaalsContact C-N 3.34Å; H417-F419 PolarHBondContact O-N 3.02Å; F419-Y422 PolarHBondContact O-N 2.77Å; F419-G423 PolarHBondContact O-N 3.44Å; F419-L447 HydrophobicContact CE1-CD1 4.38Å; F419-L447 HydrophobicContact CZ-CD1 4.23Å; F419-I450 HydrophobicContact CD1-CG2 4.48Å; F419-I450 HydrophobicContact CE1-CG2 3.65Å; F419-I450 HydrophobicContact CZ-CG2 4.22Å; F419-L451 HydrophobicContact CD1-CD2 4.27Å; F419-L451 HydrophobicContact CE1-CD2 4.15Å; F419-I454 HydrophobicContact CD1-CD1 3.48Å; F419-I454 VanDerWaalsContact CD1-CD1 3.48Å; F419-I454 HydrophobicContact CE1-CD1 3.99Å; F419-I454 HydrophobicContact CG-CD1 4.46Å
420	L	88.1	Confident	88.1	Confident	1 Å²	1	36 Å²	36	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-60.8	-47.5	177.3	-174.1	71.3	0	0	0	111.7	L416 H417 G423 L424 L451 F460 F468 L470	L416-L420 VanDerWaalsContact O-CB 3.31Å; L416-L420 WeakPolarHBondContact O-CB 3.35Å; L416-L420 PolarHBondContact O-N 3.04Å; H417-L420 WeakPolarHBondContact O-CB 3.23Å; H417-L420 PolarHBondContact O-N 2.92Å; L420-G423 PolarHBondContact O-N 3.36Å; L420-L424 WeakPolarHBondContact O-CG 3.34Å; L420-L424 PolarHBondContact O-N 2.8Å; L420-L451 HydrophobicContact CD1-CB 4.25Å; L420-L451 HydrophobicContact CD1-CD2 3.9Å; L420-F460 HydrophobicContact CD2-CE2 3.83Å; L420-F460 HydrophobicContact CD2-CZ 3.53Å; L420-F468 HydrophobicContact CD1-CE1 4.28Å; L420-F468 HydrophobicContact CD1-CZ 4.35Å; L420-F468 HydrophobicContact CD2-CD1 4.31Å; L420-F468 HydrophobicContact CD2-CE1 3.58Å; L420-F468 HydrophobicContact CD2-CE2 3.88Å; L420-F468 HydrophobicContact CD2-CZ 3.31Å; L420-F468 HydrophobicContact CG-CE1 4.32Å; L420-F468 HydrophobicContact CG-CZ 3.97Å; L420-L470 HydrophobicContact CD1-CD1 4.11Å
421	Q	87.8	Confident	88.3	Confident	115 Å²	115	32.8 Å²	32.8	54%	0.537	17%	0.17	S	C	.	.	H	α-helix	trans	-61.4	-44.1	175.7	-72.3	-174.4	-15.3	0	0	112.1	H417 L424 C425	H417-Q421 PolarHBondContact NE2-NE2 3.2Å; H417-Q421 WeakPolarHBondContact O-CG 3.4Å; H417-Q421 PolarHBondContact O-N 3.43Å; Q421-L424 PolarHBondContact O-N 3.3Å; Q421-C425 PolarHBondContact O-N 3.04Å
422	Y	88.7	Confident	88.3	Confident	70 Å²	70	35.5 Å²	35.5	28%	0.275	19%	0.186	S	C	.	.	H	α-helix	trans	-62.1	-44.4	175.7	179.3	-106	0	0	0	111.5	Y378 Q379 G418 F419 L424 C425 L426	Y378-Y422 HydrophobicContact CD1-CD1 4.39Å; Y378-Y422 AromaticContact CD1-CE1 3.95Å; Y378-Y422 HydrophobicContact CD1-CE1 3.95Å; Y378-Y422 HydrophobicContact CE1-CE1 4.17Å; Q379-Y422 HydrophobicContact CB-CE1 4.37Å; Q379-Y422 HydrophobicContact CB-CE2 4.37Å; Q379-Y422 HydrophobicContact CG-CD1 3.86Å; Q379-Y422 HydrophobicContact CG-CD2 4.18Å; Q379-Y422 HydrophobicContact CG-CE1 4.06Å; Q379-Y422 HydrophobicContact CG-CE2 4.38Å; Q379-Y422 HydrophobicContact CG-CG 3.91Å; G418-Y422 WeakPolarHBondContact O-CB 3.29Å; G418-Y422 PolarHBondContact O-N 3.45Å; F419-Y422 PolarHBondContact O-N 2.77Å; Y422-L424 PolarHBondContact O-N 3.35Å; Y422-C425 WeakPolarHBondContact O-CB 3.32Å; Y422-C425 PolarHBondContact O-N 3.03Å; Y422-C425 VanDerWaalsContact O-N 3.14Å; Y422-L426 HydrophobicContact CD1-CD1 4.03Å; Y422-L426 HydrophobicContact CD1-CG 4.33Å; Y422-L426 HydrophobicContact CE1-CD1 3.53Å; Y422-L426 HydrophobicContact CE1-CD2 4.29Å; Y422-L426 HydrophobicContact CE1-CG 3.98Å; Y422-L426 HydrophobicContact CE2-CD2 4.43Å; Y422-L426 WeakPolarHBondContact O-CG 3.43Å; Y422-L426 PolarHBondContact O-N 3.16Å
423	G	88.4	Confident	88.2	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.8	-42.5	175.7	0	0	0	0	0	112.7	F419 L420 C425 L426 V427	F419-G423 PolarHBondContact O-N 3.44Å; L420-G423 PolarHBondContact O-N 3.36Å; G423-C425 VanDerWaalsContact C-N 3.33Å; G423-C425 PolarHBondContact O-N 2.92Å; G423-L426 WeakPolarHBondContact O-CB 3.33Å; G423-L426 PolarHBondContact O-N 2.95Å; G423-V427 VanDerWaalsContact O-CG2 3.3Å; G423-V427 WeakPolarHBondContact O-CG2 3.43Å; G423-V427 PolarHBondContact O-N 2.9Å
424	L	89.9	Confident	88.2	Confident	20 Å²	20	39.4 Å²	39.4	11%	0.105	20%	0.204	C	C	.	.	H	α-helix	trans	-64.6	-35.5	174.4	-70.6	169.5	0	0	0	112.4	L420 Q421 Y422 V427 S428 F468 L470 E473 V474 A477	L420-L424 WeakPolarHBondContact O-CG 3.34Å; L420-L424 PolarHBondContact O-N 2.8Å; Q421-L424 PolarHBondContact O-N 3.3Å; Y422-L424 PolarHBondContact O-N 3.35Å; L424-V427 CarbonylContact O-C 3.56Å; L424-V427 PolarHBondContact O-N 3.44Å; L424-S428 PolarHBondContact O-N 3.33Å; L424-F468 HydrophobicContact CD1-CZ 4.44Å; L424-L470 HydrophobicContact CD2-CD1 4.47Å; L424-E473 HydrophobicContact CD1-CB 3.89Å; L424-E473 HydrophobicContact CD2-CB 4.15Å; L424-V474 HydrophobicContact CD2-CG2 3.75Å; L424-A477 HydrophobicContact CD2-CB 4.42Å
425	C	89.9	Confident	88.2	Confident	60 Å²	60	37.3 Å²	37.3	41%	0.405	20%	0.196	S	C	.	.	H	α-helix	trans	-66	-38.1	172.2	-175.4	0	0	0	0	112.4	Q421 Y422 G423 V427 S428 K429	Q421-C425 PolarHBondContact O-N 3.04Å; Y422-C425 WeakPolarHBondContact O-CB 3.32Å; Y422-C425 PolarHBondContact O-N 3.03Å; Y422-C425 VanDerWaalsContact O-N 3.14Å; G423-C425 VanDerWaalsContact C-N 3.33Å; G423-C425 PolarHBondContact O-N 2.92Å; C425-V427 VanDerWaalsContact C-N 3.32Å; C425-S428 PolarHBondContact O-N 3.22Å; C425-S428 PolarHBondContact O-OG 3.45Å; C425-K429 PolarHBondContact O-N 2.6Å
426	L	89.2	Confident	87.8	Confident	18 Å²	18	39.5 Å²	39.5	9%	0.094	21%	0.209	C	C	.	.	H	α-helix	trans	-66	-38	171.5	-64.1	-179.8	0	0	0	111.4	Y378 Y422 G423 K429 Y430 I433 L447	Y378-L426 HydrophobicContact CE1-CD1 4.16Å; Y422-L426 HydrophobicContact CD1-CD1 4.03Å; Y422-L426 HydrophobicContact CD1-CG 4.33Å; Y422-L426 HydrophobicContact CE1-CD1 3.53Å; Y422-L426 HydrophobicContact CE1-CD2 4.29Å; Y422-L426 HydrophobicContact CE1-CG 3.98Å; Y422-L426 HydrophobicContact CE2-CD2 4.43Å; Y422-L426 WeakPolarHBondContact O-CG 3.43Å; Y422-L426 PolarHBondContact O-N 3.16Å; G423-L426 WeakPolarHBondContact O-CB 3.33Å; G423-L426 PolarHBondContact O-N 2.95Å; L426-K429 CarbonylContact O-C 3.55Å; L426-K429 PolarHBondContact O-N 3.01Å; L426-Y430 WeakPolarHBondContact O-CA 3.46Å; L426-Y430 PolarHBondContact O-N 3.25Å; L426-I433 HydrophobicContact CB-CD1 4.43Å; L426-I433 HydrophobicContact CD2-CD1 3.49Å; L426-I433 VanDerWaalsContact CD2-CD1 3.49Å; L426-L447 HydrophobicContact CB-CD2 3.99Å; L426-L447 HydrophobicContact CD1-CD2 3.91Å
427	V	91.1	Very high	87.6	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.5	-36.4	175.8	170.1	0	0	0	0	111.4	G423 L424 C425 K429 Y430 L444 L448 L451 V474 A477 I478 F529	G423-V427 VanDerWaalsContact O-CG2 3.3Å; G423-V427 WeakPolarHBondContact O-CG2 3.43Å; G423-V427 PolarHBondContact O-N 2.9Å; L424-V427 CarbonylContact O-C 3.56Å; L424-V427 PolarHBondContact O-N 3.44Å; C425-V427 VanDerWaalsContact C-N 3.32Å; V427-K429 PolarHBondContact O-N 2.85Å; V427-Y430 WeakPolarHBondContact O-CB 3.29Å; V427-Y430 WeakPolarHBondContact O-CD1 3.42Å; V427-Y430 PolarHBondContact O-N 3.48Å; V427-L444 HydrophobicContact CG2-CD1 4.38Å; V427-L448 HydrophobicContact CG2-CD2 3.74Å; V427-L451 HydrophobicContact CG2-CD1 4.33Å; V427-V474 HydrophobicContact CG1-CG1 4.18Å; V427-A477 HydrophobicContact CG1-CB 4.46Å; V427-I478 HydrophobicContact CG1-CG1 4.15Å; V427-F529 HydrophobicContact CG1-CE1 3.88Å; V427-F529 HydrophobicContact CG1-CZ 4.23Å
428	S	92.8	Very high	87.2	Confident	17 Å²	17	44.5 Å²	44.5	12%	0.119	25%	0.247	C	C	.	.	H	α-helix	trans	-66.3	-30.5	174.7	68.9	0	0	0	0	112.2	L424 C425 A477 G481	L424-S428 PolarHBondContact O-N 3.33Å; C425-S428 PolarHBondContact O-N 3.22Å; C425-S428 PolarHBondContact O-OG 3.45Å; S428-A477 WeakPolarHBondContact CA-O 3.32Å; S428-A477 WeakPolarHBondContact CB-O 3.39Å; S428-G481 VanDerWaalsContact O-CA 3.27Å; S428-G481 WeakPolarHBondContact O-CA 3.26Å
429	K	90.9	Very high	86.8	Confident	94 Å²	94	47.5 Å²	47.5	41%	0.409	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	23	179.3	-62.8	-178.4	-178.8	-179.8	0	113.8	C425 L426 V427 R431 D432 I433	C425-K429 PolarHBondContact O-N 2.6Å; L426-K429 CarbonylContact O-C 3.55Å; L426-K429 PolarHBondContact O-N 3.01Å; V427-K429 PolarHBondContact O-N 2.85Å; K429-R431 PolarHBondContact O-N 3.15Å; K429-R431 VanDerWaalsContact O-N 3.08Å; K429-D432 PolarHBondContact O-N 3.39Å; K429-D432 VanDerWaalsContact O-N 3.09Å; K429-I433 HydrophobicContact CB-CD1 3.74Å; K429-I433 HydrophobicContact CB-CG1 4.21Å; K429-I433 WeakPolarHBondContact O-CG1 3.49Å; K429-I433 PolarHBondContact O-N 3.37Å
430	Y	90.7	Very high	86.4	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.8	-29.9	-170.8	77.2	-84.2	0	0	0	113.4	L426 V427 D432 F434 L444 N521 W525 F529	L426-Y430 WeakPolarHBondContact O-CA 3.46Å; L426-Y430 PolarHBondContact O-N 3.25Å; V427-Y430 WeakPolarHBondContact O-CB 3.29Å; V427-Y430 WeakPolarHBondContact O-CD1 3.42Å; V427-Y430 PolarHBondContact O-N 3.48Å; Y430-D432 VanDerWaalsContact C-N 3.33Å; Y430-D432 PolarHBondContact O-N 2.8Å; Y430-F434 CarbonylContact O-C 3.44Å; Y430-F434 WeakPolarHBondContact O-CA 3.25Å; Y430-F434 WeakPolarHBondContact O-CB 3.26Å; Y430-F434 PolarHBondContact O-N 2.77Å; Y430-F434 VanDerWaalsContact O-O 3.1Å; Y430-L444 HydrophobicContact CD2-CD2 4.26Å; Y430-L444 HydrophobicContact CG-CD2 4.47Å; Y430-N521 PolarHBondContact OH-ND2 3.28Å; Y430-N521 VanDerWaalsContact OH-ND2 3.13Å; Y430-N521 PolarHBondContact OH-OD1 3.04Å; Y430-W525 HydrophobicContact CD2-CD2 4.07Å; Y430-W525 HydrophobicContact CD2-CE3 4.39Å; Y430-W525 HydrophobicContact CD2-CG 4.42Å; Y430-W525 HydrophobicContact CD2-CZ2 4.4Å; Y430-W525 HydrophobicContact CE2-CB 4.41Å; Y430-W525 AromaticContact CE2-CD1 3.69Å; Y430-W525 AromaticContact CE2-CD2 3.86Å; Y430-W525 HydrophobicContact CE2-CD2 3.86Å; Y430-W525 AromaticContact CE2-CE2 3.9Å; Y430-W525 AromaticContact CE2-CG 3.75Å; Y430-W525 HydrophobicContact CE2-CG 3.75Å; Y430-W525 AromaticContact CE2-NE1 3.76Å; Y430-F529 HydrophobicContact CD1-CZ 4.46Å; Y430-F529 HydrophobicContact CD2-CE2 4.37Å; Y430-F529 HydrophobicContact CG-CZ 4.34Å
431	R	86.9	Confident	86.2	Confident	27 Å²	27	49 Å²	49	10%	0.102	28%	0.275	C	S	.	.	H	α-helix	trans	-62	-38.4	178.8	-64.6	175.2	172.5	91.7	-5.1	113	K429 T482 D517 V541	K429-R431 PolarHBondContact O-N 3.15Å; K429-R431 VanDerWaalsContact O-N 3.08Å; R431-T482 PolarHBondContact NH1-OG1 3.26Å; R431-T482 VanDerWaalsContact NH1-OG1 3.11Å; R431-T482 PolarHBondContact NH2-OG1 3.02Å; R431-D517 WeakPolarHBondContact CD-OD1 3.24Å; R431-D517 IonicContact CZ-OD1 3.03Å; R431-D517 IonicContact CZ-OD2 3.74Å; R431-D517 VanDerWaalsContact NE-CG 3.26Å; R431-D517 IonicContact NE-OD1 3.87Å; R431-D517 PolarHBondContact NE-OD1 2.86Å; R431-D517 IonicContact NE-OD2 3.67Å; R431-D517 PolarHBondContact NE-OD2 2.95Å; R431-D517 IonicContact NH2-OD2 2.75Å; R431-D517 PolarHBondContact NH2-OD2 3.24Å; R431-V541 VanDerWaalsContact NH2-CG1 3.33Å
432	D	85.3	Confident	86	Confident	109 Å²	109	46.7 Å²	46.7	58%	0.583	27%	0.269	S	S	*	.	H	α-helix	trans	-88	-33.4	-175.5	-56	-41.5	0	0	0	111.2	K429 Y430	K429-D432 PolarHBondContact O-N 3.39Å; K429-D432 VanDerWaalsContact O-N 3.09Å; Y430-D432 VanDerWaalsContact C-N 3.33Å; Y430-D432 PolarHBondContact O-N 2.8Å
433	I	85	Confident	85.8	Confident	75 Å²	75	48.2 Å²	48.2	39%	0.385	28%	0.277	S	S	.	.	H	α-helix	trans	-88.2	-37.4	-174	-58.2	176.8	0	0	0	111.5	L426 K429	L426-I433 HydrophobicContact CB-CD1 4.43Å; L426-I433 HydrophobicContact CD2-CD1 3.49Å; L426-I433 VanDerWaalsContact CD2-CD1 3.49Å; K429-I433 HydrophobicContact CB-CD1 3.74Å; K429-I433 HydrophobicContact CB-CG1 4.21Å; K429-I433 WeakPolarHBondContact O-CG1 3.49Å; K429-I433 PolarHBondContact O-N 3.37Å
434	F	86.2	Confident	85.7	Confident	15 Å²	15	48.2 Å²	48.2	7%	0.066	28%	0.277	C	S	.	.	S	Bend	trans	-119.2	91.5	-178.7	-52.8	-76.7	0	0	0	108.8	Y430 A440 K443 L444 L447 W525	Y430-F434 CarbonylContact O-C 3.44Å; Y430-F434 WeakPolarHBondContact O-CA 3.25Å; Y430-F434 WeakPolarHBondContact O-CB 3.26Å; Y430-F434 PolarHBondContact O-N 2.77Å; Y430-F434 VanDerWaalsContact O-O 3.1Å; F434-A440 HydrophobicContact CB-CB 4.42Å; F434-K443 HydrophobicContact CD1-CB 4.12Å; F434-K443 HydrophobicContact CE1-CB 3.96Å; F434-L444 HydrophobicContact CB-CB 4.4Å; F434-L444 HydrophobicContact CD1-CB 4.23Å; F434-L444 HydrophobicContact CD2-CB 4.09Å; F434-L444 HydrophobicContact CD2-CD1 3.9Å; F434-L444 HydrophobicContact CD2-CD2 4.45Å; F434-L444 HydrophobicContact CD2-CG 4.36Å; F434-L444 HydrophobicContact CE2-CB 4.44Å; F434-L444 HydrophobicContact CE2-CD1 3.83Å; F434-L444 HydrophobicContact CG-CB 3.97Å; F434-L447 HydrophobicContact CE2-CD2 4.35Å; F434-L447 HydrophobicContact CZ-CD2 4.15Å; F434-W525 HydrophobicContact CB-CH2 3.88Å; F434-W525 WeakPolarHBondContact O-CH2 3.44Å; F434-W525 WeakPolarHBondContact O-CZ2 3.4Å
435	P	84	Confident	85.6	Confident	59 Å²	59	49.4 Å²	49.4	38%	0.383	28%	0.282	S	S	.	.			trans	-61.6	154.6	174.3	26.9	-34.6	0	0	0	110	T437 A440	P435-T437 HydrophobicContact CB-CG2 4.21Å; P435-T437 HydrophobicContact CG-CG2 4.26Å; P435-T437 PolarHBondContact O-N 3.04Å; P435-A440 HydrophobicContact CG-CB 4.14Å; P435-A440 VanDerWaalsContact O-CB 3.31Å; P435-A440 WeakPolarHBondContact O-CB 3.44Å
436	P	81	Confident	85.5	Confident	58 Å²	58	48.8 Å²	48.8	38%	0.377	28%	0.277	S	S	.	.	S	Bend	trans	-73.9	58.3	-178.4	31.2	-35.6	0	0	0	111.8	V524 W525	P436-V524 HydrophobicContact CB-CG1 4.42Å; P436-W525 HydrophobicContact CB-CZ2 3.98Å
437	T	82.8	Confident	85.4	Confident	51 Å²	51	47.9 Å²	47.9	31%	0.313	27%	0.272	S	S	.	.	S	Bend	trans	-109.3	154.7	179.3	63	0	0	0	0	110.9	P435 S439 A440 T441	P435-T437 HydrophobicContact CB-CG2 4.21Å; P435-T437 HydrophobicContact CG-CG2 4.26Å; P435-T437 PolarHBondContact O-N 3.04Å; T437-S439 PolarHBondContact O-N 3.17Å; T437-S439 VanDerWaalsContact O-N 3.1Å; T437-S439 PolarHBondContact OG1-OG 3.48Å; T437-A440 PolarHBondContact O-N 3.42Å; T437-A440 WeakPolarHBondContact OG1-CB 3.43Å; T437-A440 PolarHBondContact OG1-N 2.97Å; T437-T441 WeakPolarHBondContact O-CG2 3.18Å; T437-T441 PolarHBondContact O-N 3.05Å; T437-T441 VanDerWaalsContact O-N 3.09Å; T437-T441 PolarHBondContact O-OG1 3.45Å
438	P	78.1	Confident	85.3	Confident	121 Å²	121	47.9 Å²	47.9	79%	0.786	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.5	176.4	-24.1	33.9	0	0	0	114.2	P442	P438-P442 WeakPolarHBondContact O-CD 3.37Å; P438-P442 WeakPolarHBondContact O-CG 3.45Å
439	S	77.1	Confident	85.1	Confident	86 Å²	86	53.8 Å²	53.8	60%	0.601	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-28.3	179.7	57.2	0	0	0	0	113.8	T437	T437-S439 PolarHBondContact O-N 3.17Å; T437-S439 VanDerWaalsContact O-N 3.1Å; T437-S439 PolarHBondContact OG1-OG 3.48Å
440	A	80.1	Confident	84.9	Confident	9 Å²	9	49.3 Å²	49.3	7%	0.074	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-30.4	-178.4	0	0	0	0	0	113.3	F434 P435 T437 K443 L444	F434-A440 HydrophobicContact CB-CB 4.42Å; P435-A440 HydrophobicContact CG-CB 4.14Å; P435-A440 VanDerWaalsContact O-CB 3.31Å; P435-A440 WeakPolarHBondContact O-CB 3.44Å; T437-A440 PolarHBondContact O-N 3.42Å; T437-A440 WeakPolarHBondContact OG1-CB 3.43Å; T437-A440 PolarHBondContact OG1-N 2.97Å; A440-K443 WeakPolarHBondContact O-CB 3.39Å; A440-K443 PolarHBondContact O-N 3.27Å; A440-L444 PolarHBondContact O-N 3.33Å
441	T	84.3	Confident	84.8	Confident	25 Å²	25	49.3 Å²	49.3	15%	0.153	27%	0.272	C	S	.	.	H	α-helix	trans	-57.1	-40	176.8	43.4	0	0	0	0	114	T437 K443 H445 V524 W525	T437-T441 WeakPolarHBondContact O-CG2 3.18Å; T437-T441 PolarHBondContact O-N 3.05Å; T437-T441 VanDerWaalsContact O-N 3.09Å; T437-T441 PolarHBondContact O-OG1 3.45Å; T441-K443 VanDerWaalsContact C-N 3.31Å; T441-K443 PolarHBondContact O-N 3.24Å; T441-H445 PolarHBondContact O-N 2.9Å; T441-H445 VanDerWaalsContact O-N 3.13Å; T441-V524 HydrophobicContact CG2-CG1 3.69Å; T441-W525 HydrophobicContact CG2-CE3 4.48Å; T441-W525 HydrophobicContact CG2-CH2 3.93Å; T441-W525 HydrophobicContact CG2-CZ3 3.82Å
442	P	84.6	Confident	84.8	Confident	66 Å²	66	49.2 Å²	49.2	43%	0.429	28%	0.275	S	S	.	.	H	α-helix	trans	-67.2	-30.7	174.3	-19.6	34.5	0	0	0	112.7	P438 H445 T446	P438-P442 WeakPolarHBondContact O-CD 3.37Å; P438-P442 WeakPolarHBondContact O-CG 3.45Å; P442-H445 PolarHBondContact O-N 3.22Å; P442-T446 PolarHBondContact O-N 2.94Å; P442-T446 PolarHBondContact O-OG1 3.35Å
443	K	83	Confident	84.9	Confident	102 Å²	102	46.4 Å²	46.4	44%	0.443	26%	0.258	S	S	.	.	H	α-helix	trans	-64.4	-47.5	179.4	-61.8	-175	178.3	-172.4	0	111.1	F434 A440 T441 H445 T446 L447	F434-K443 HydrophobicContact CD1-CB 4.12Å; F434-K443 HydrophobicContact CE1-CB 3.96Å; A440-K443 WeakPolarHBondContact O-CB 3.39Å; A440-K443 PolarHBondContact O-N 3.27Å; T441-K443 VanDerWaalsContact C-N 3.31Å; T441-K443 PolarHBondContact O-N 3.24Å; K443-H445 VanDerWaalsContact C-N 3.35Å; K443-T446 PolarHBondContact O-N 2.94Å; K443-L447 PolarHBondContact O-N 3.11Å
444	L	87.8	Confident	85	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.2	-41.1	174.8	-179.8	61	0	0	0	111.4	V427 Y430 F434 A440 T446 L447 L448 W525 V528 F529	V427-L444 HydrophobicContact CG2-CD1 4.38Å; Y430-L444 HydrophobicContact CD2-CD2 4.26Å; Y430-L444 HydrophobicContact CG-CD2 4.47Å; F434-L444 HydrophobicContact CB-CB 4.4Å; F434-L444 HydrophobicContact CD1-CB 4.23Å; F434-L444 HydrophobicContact CD2-CB 4.09Å; F434-L444 HydrophobicContact CD2-CD1 3.9Å; F434-L444 HydrophobicContact CD2-CD2 4.45Å; F434-L444 HydrophobicContact CD2-CG 4.36Å; F434-L444 HydrophobicContact CE2-CB 4.44Å; F434-L444 HydrophobicContact CE2-CD1 3.83Å; F434-L444 HydrophobicContact CG-CB 3.97Å; A440-L444 PolarHBondContact O-N 3.33Å; L444-T446 VanDerWaalsContact C-N 3.34Å; L444-T446 PolarHBondContact O-N 3.43Å; L444-L447 HydrophobicContact CD1-CD2 4.36Å; L444-L447 PolarHBondContact O-N 3.21Å; L444-L448 HydrophobicContact CD1-CD1 4.47Å; L444-L448 HydrophobicContact CD1-CG 4.26Å; L444-L448 HydrophobicContact CG-CD1 4.2Å; L444-L448 HydrophobicContact CG-CG 4.44Å; L444-L448 WeakPolarHBondContact O-CG 3.48Å; L444-L448 PolarHBondContact O-N 3.07Å; L444-W525 HydrophobicContact CB-CZ3 4.35Å; L444-W525 HydrophobicContact CD2-CE3 3.71Å; L444-W525 HydrophobicContact CD2-CH2 4.31Å; L444-W525 HydrophobicContact CD2-CZ3 3.44Å; L444-W525 VanDerWaalsContact CD2-CZ3 3.44Å; L444-V528 HydrophobicContact CG-CG1 4.47Å; L444-F529 HydrophobicContact CD2-CE2 3.76Å; L444-F529 HydrophobicContact CD2-CZ 3.92Å
445	H	87.9	Confident	85	Confident	45 Å²	45	43.2 Å²	43.2	21%	0.208	24%	0.244	C	C	.	.	H	α-helix	trans	-58.3	-45.7	176.6	-174	72.7	0	0	0	111.9	T441 P442 K443 L448 R449 V528 S531	T441-H445 PolarHBondContact O-N 2.9Å; T441-H445 VanDerWaalsContact O-N 3.13Å; P442-H445 PolarHBondContact O-N 3.22Å; K443-H445 VanDerWaalsContact C-N 3.35Å; H445-L448 PolarHBondContact O-N 3.46Å; H445-R449 WeakPolarHBondContact NE2-CD 3.34Å; H445-R449 WeakPolarHBondContact O-CG 3.37Å; H445-R449 PolarHBondContact O-N 2.82Å; H445-V528 HydrophobicContact CB-CG1 3.96Å; H445-S531 PolarHBondContact CE1-OG 3.32Å; H445-S531 VanDerWaalsContact CE1-OG 3.29Å; H445-S531 PolarHBondContact ND1-OG 2.98Å
446	T	85.8	Confident	85	Confident	47 Å²	47	46.6 Å²	46.6	29%	0.288	25%	0.253	S	S	.	.	H	α-helix	trans	-67.2	-40.1	177.8	-50.7	0	0	0	0	111.8	S385 P442 K443 L444 L448 R449 I450	S385-T446 VanDerWaalsContact OG-CB 3.29Å; S385-T446 WeakPolarHBondContact OG-CB 3.24Å; S385-T446 WeakPolarHBondContact OG-CG2 3.17Å; P442-T446 PolarHBondContact O-N 2.94Å; P442-T446 PolarHBondContact O-OG1 3.35Å; K443-T446 PolarHBondContact O-N 2.94Å; L444-T446 VanDerWaalsContact C-N 3.34Å; L444-T446 PolarHBondContact O-N 3.43Å; T446-L448 PolarHBondContact O-N 2.75Å; T446-R449 PolarHBondContact O-N 3.48Å; T446-I450 HydrophobicContact CG2-CD1 4.37Å; T446-I450 WeakPolarHBondContact O-CG1 3.37Å; T446-I450 PolarHBondContact O-N 2.94Å
447	L	87.4	Confident	85.2	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-56.2	-50.9	173.5	176.2	63.4	0	0	0	111.2	Y378 F419 L426 F434 K443 L444 R449 I450 L451	Y378-L447 HydrophobicContact CE1-CD1 4.4Å; F419-L447 HydrophobicContact CE1-CD1 4.38Å; F419-L447 HydrophobicContact CZ-CD1 4.23Å; L426-L447 HydrophobicContact CB-CD2 3.99Å; L426-L447 HydrophobicContact CD1-CD2 3.91Å; F434-L447 HydrophobicContact CE2-CD2 4.35Å; F434-L447 HydrophobicContact CZ-CD2 4.15Å; K443-L447 PolarHBondContact O-N 3.11Å; L444-L447 HydrophobicContact CD1-CD2 4.36Å; L444-L447 PolarHBondContact O-N 3.21Å; L447-R449 VanDerWaalsContact C-N 3.29Å; L447-R449 PolarHBondContact O-N 3.4Å; L447-I450 WeakPolarHBondContact O-CB 3.47Å; L447-I450 PolarHBondContact O-N 3.03Å; L447-I450 VanDerWaalsContact O-N 3.08Å; L447-L451 WeakPolarHBondContact O-CG 3.39Å; L447-L451 PolarHBondContact O-N 3.42Å
448	L	89.3	Confident	85.1	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.1	-40.4	178	-70	172.9	0	0	0	111.8	V427 L444 H445 T446 I450 L451 V452 V528 F529 A532 V533	V427-L448 HydrophobicContact CG2-CD2 3.74Å; L444-L448 HydrophobicContact CD1-CD1 4.47Å; L444-L448 HydrophobicContact CD1-CG 4.26Å; L444-L448 HydrophobicContact CG-CD1 4.2Å; L444-L448 HydrophobicContact CG-CG 4.44Å; L444-L448 WeakPolarHBondContact O-CG 3.48Å; L444-L448 PolarHBondContact O-N 3.07Å; H445-L448 PolarHBondContact O-N 3.46Å; T446-L448 PolarHBondContact O-N 2.75Å; L448-I450 VanDerWaalsContact C-N 3.33Å; L448-I450 PolarHBondContact O-N 2.68Å; L448-L451 PolarHBondContact O-N 3.43Å; L448-V452 WeakPolarHBondContact O-CG2 3.38Å; L448-V452 PolarHBondContact O-N 3.13Å; L448-V528 HydrophobicContact CD1-CG1 4.31Å; L448-F529 HydrophobicContact CD1-CD1 3.64Å; L448-F529 HydrophobicContact CD1-CE1 3.83Å; L448-F529 HydrophobicContact CD1-CG 4.02Å; L448-F529 HydrophobicContact CD1-CZ 4.37Å; L448-F529 HydrophobicContact CD2-CD1 4.25Å; L448-F529 HydrophobicContact CD2-CE1 4Å; L448-A532 HydrophobicContact CB-CB 3.57Å; L448-A532 HydrophobicContact CD1-CB 3.97Å; L448-A532 HydrophobicContact CG-CB 4.44Å; L448-V533 HydrophobicContact CB-CG1 4.22Å; L448-V533 HydrophobicContact CD2-CG1 4.2Å
449	R	88.1	Confident	85.2	Confident	140 Å²	140	39 Å²	39	53%	0.528	20%	0.199	S	C	.	.	H	α-helix	trans	-64.6	-35.1	175.7	-72.7	-177.1	75.8	165.1	4	112.9	H445 T446 L447 V452 Q453 A532	H445-R449 WeakPolarHBondContact NE2-CD 3.34Å; H445-R449 WeakPolarHBondContact O-CG 3.37Å; H445-R449 PolarHBondContact O-N 2.82Å; T446-R449 PolarHBondContact O-N 3.48Å; L447-R449 VanDerWaalsContact C-N 3.29Å; L447-R449 PolarHBondContact O-N 3.4Å; R449-V452 PolarHBondContact O-N 2.84Å; R449-Q453 WeakPolarHBondContact O-CB 3.46Å; R449-Q453 PolarHBondContact O-N 2.73Å; R449-A532 HydrophobicContact CG-CB 4.4Å
450	I	86.8	Confident	85.5	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.8	-45.3	174	-68.6	165.9	0	0	0	110.4	S385 L388 L392 F419 T446 L447 L448 V452 Q453 I454	S385-I450 VanDerWaalsContact O-CD1 3.24Å; S385-I450 WeakPolarHBondContact O-CD1 3.46Å; L388-I450 HydrophobicContact CB-CD1 4.24Å; L392-I450 HydrophobicContact CD1-CG2 4.03Å; F419-I450 HydrophobicContact CD1-CG2 4.48Å; F419-I450 HydrophobicContact CE1-CG2 3.65Å; F419-I450 HydrophobicContact CZ-CG2 4.22Å; T446-I450 HydrophobicContact CG2-CD1 4.37Å; T446-I450 WeakPolarHBondContact O-CG1 3.37Å; T446-I450 PolarHBondContact O-N 2.94Å; L447-I450 WeakPolarHBondContact O-CB 3.47Å; L447-I450 PolarHBondContact O-N 3.03Å; L447-I450 VanDerWaalsContact O-N 3.08Å; L448-I450 VanDerWaalsContact C-N 3.33Å; L448-I450 PolarHBondContact O-N 2.68Å; I450-V452 VanDerWaalsContact C-N 3.29Å; I450-V452 PolarHBondContact O-N 3.41Å; I450-Q453 PolarHBondContact O-N 2.92Å; I450-Q453 VanDerWaalsContact O-N 3.08Å; I450-I454 HydrophobicContact CG2-CD1 3.86Å; I450-I454 HydrophobicContact CG2-CG1 4.28Å; I450-I454 WeakPolarHBondContact O-CG1 3.34Å; I450-I454 PolarHBondContact O-N 3.28Å
451	L	88.5	Confident	85.7	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.3	-43.2	177.2	-58	175.4	0	0	0	111	F419 L420 V427 L447 L448 Q453 I454 C455 L470	F419-L451 HydrophobicContact CD1-CD2 4.27Å; F419-L451 HydrophobicContact CE1-CD2 4.15Å; L420-L451 HydrophobicContact CD1-CB 4.25Å; L420-L451 HydrophobicContact CD1-CD2 3.9Å; V427-L451 HydrophobicContact CG2-CD1 4.33Å; L447-L451 WeakPolarHBondContact O-CG 3.39Å; L447-L451 PolarHBondContact O-N 3.42Å; L448-L451 PolarHBondContact O-N 3.43Å; L451-Q453 VanDerWaalsContact C-N 3.34Å; L451-Q453 PolarHBondContact O-N 2.76Å; L451-I454 PolarHBondContact O-N 2.97Å; L451-C455 PolarHBondContact O-N 3.18Å; L451-C455 VanDerWaalsContact O-N 3.16Å; L451-C455 PolarHBondContact O-SG 3.02Å; L451-C455 VanDerWaalsContact O-SG 3.35Å; L451-L470 HydrophobicContact CB-CD1 4.11Å; L451-L470 HydrophobicContact CB-CD2 4.09Å
452	V	88.5	Confident	85.4	Confident	26 Å²	26	45.4 Å²	45.4	16%	0.158	21%	0.213	C	C	.	.	H	α-helix	trans	-60	-44.7	173.5	173.2	0	0	0	0	111.3	L448 R449 I450 C455 K456 L470 V533	L448-V452 WeakPolarHBondContact O-CG2 3.38Å; L448-V452 PolarHBondContact O-N 3.13Å; R449-V452 PolarHBondContact O-N 2.84Å; I450-V452 VanDerWaalsContact C-N 3.29Å; I450-V452 PolarHBondContact O-N 3.41Å; V452-C455 PolarHBondContact O-N 3.09Å; V452-K456 HydrophobicContact CG1-CD 4.05Å; V452-K456 WeakPolarHBondContact O-CG 3.25Å; V452-K456 PolarHBondContact O-N 2.89Å; V452-K456 VanDerWaalsContact O-N 3.11Å; V452-L470 HydrophobicContact CB-CD2 4.16Å; V452-L470 HydrophobicContact CG2-CD2 3.56Å; V452-V533 HydrophobicContact CG2-CG1 3.54Å
453	Q	86.4	Confident	85.1	Confident	50 Å²	50	44.5 Å²	44.5	23%	0.234	21%	0.205	C	C	.	.	H	α-helix	trans	-65.5	-42.7	-178.9	-170.3	62.6	19	0	0	111.5	F389 L392 R449 I450 L451 C455 K456 T457	F389-Q453 HydrophobicContact CD2-CB 4.47Å; F389-Q453 HydrophobicContact CD2-CG 4.28Å; F389-Q453 HydrophobicContact CE2-CB 4.12Å; F389-Q453 HydrophobicContact CE2-CG 3.79Å; L392-Q453 HydrophobicContact CD1-CG 4.5Å; R449-Q453 WeakPolarHBondContact O-CB 3.46Å; R449-Q453 PolarHBondContact O-N 2.73Å; I450-Q453 PolarHBondContact O-N 2.92Å; I450-Q453 VanDerWaalsContact O-N 3.08Å; L451-Q453 VanDerWaalsContact C-N 3.34Å; L451-Q453 PolarHBondContact O-N 2.76Å; Q453-C455 PolarHBondContact O-N 3.22Å; Q453-K456 WeakPolarHBondContact O-CB 3.36Å; Q453-K456 PolarHBondContact O-N 3.22Å; Q453-K456 VanDerWaalsContact O-N 3.08Å; Q453-T457 WeakPolarHBondContact O-CG2 3.44Å; Q453-T457 PolarHBondContact O-N 3.39Å
454	I	87.1	Confident	84.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-54.4	-52.1	174.8	-70.7	168.3	0	0	0	109.9	W371 L392 L416 F419 I450 L451 K456 T457 F460	W371-I454 HydrophobicContact CH2-CD1 3.94Å; W371-I454 HydrophobicContact CH2-CG1 4.25Å; W371-I454 HydrophobicContact CZ2-CD1 4.22Å; L392-I454 HydrophobicContact CD1-CG1 3.72Å; L392-I454 HydrophobicContact CD2-CG1 4.06Å; L416-I454 HydrophobicContact CB-CG2 4.31Å; L416-I454 HydrophobicContact CD2-CG1 4.18Å; L416-I454 HydrophobicContact CD2-CG2 4.01Å; F419-I454 HydrophobicContact CD1-CD1 3.48Å; F419-I454 VanDerWaalsContact CD1-CD1 3.48Å; F419-I454 HydrophobicContact CE1-CD1 3.99Å; F419-I454 HydrophobicContact CG-CD1 4.46Å; I450-I454 HydrophobicContact CG2-CD1 3.86Å; I450-I454 HydrophobicContact CG2-CG1 4.28Å; I450-I454 WeakPolarHBondContact O-CG1 3.34Å; I450-I454 PolarHBondContact O-N 3.28Å; L451-I454 PolarHBondContact O-N 2.97Å; I454-K456 PolarHBondContact O-N 3.4Å; I454-T457 PolarHBondContact O-N 2.92Å; I454-T457 VanDerWaalsContact O-N 3.09Å; I454-T457 PolarHBondContact O-OG1 2.94Å; I454-F460 HydrophobicContact CG2-CB 4.47Å; I454-F460 HydrophobicContact CG2-CD2 3.72Å; I454-F460 HydrophobicContact CG2-CE2 4.13Å; I454-F460 HydrophobicContact CG2-CG 4.12Å; I454-F460 WeakPolarHBondContact O-CB 3.4Å
455	C	85.9	Confident	83.1	Confident	22 Å²	22	47.5 Å²	47.5	15%	0.149	23%	0.232	C	C	.	.	H	α-helix	trans	-64.4	-23.2	-179.8	-62.4	0	0	0	0	113.7	L451 V452 Q453 Q461	L451-C455 PolarHBondContact O-N 3.18Å; L451-C455 VanDerWaalsContact O-N 3.16Å; L451-C455 PolarHBondContact O-SG 3.02Å; L451-C455 VanDerWaalsContact O-SG 3.35Å; V452-C455 PolarHBondContact O-N 3.09Å; Q453-C455 PolarHBondContact O-N 3.22Å; C455-Q461 PolarHBondContact O-NE2 2.86Å
456	K	84.9	Confident	81.8	Confident	131 Å²	131	49 Å²	49	57%	0.57	25%	0.252	S	S	*	.	H	α-helix	trans	-82.9	-22.2	175	-74.6	178.5	178.9	-179.9	0	113.9	V452 Q453 I454	V452-K456 HydrophobicContact CG1-CD 4.05Å; V452-K456 WeakPolarHBondContact O-CG 3.25Å; V452-K456 PolarHBondContact O-N 2.89Å; V452-K456 VanDerWaalsContact O-N 3.11Å; Q453-K456 WeakPolarHBondContact O-CB 3.36Å; Q453-K456 PolarHBondContact O-N 3.22Å; Q453-K456 VanDerWaalsContact O-N 3.08Å; I454-K456 PolarHBondContact O-N 3.4Å
457	T	84.6	Confident	80.8	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.018	28%	0.281	C	S	.	.	S	Bend	trans	-62.9	139.2	179.6	61	0	0	0	0	111.3	L392 E396 Q453 I454 A459 F460 Q461	L392-T457 HydrophobicContact CD2-CG2 4.42Å; E396-T457 VanDerWaalsContact OE2-CA 3.28Å; E396-T457 WeakPolarHBondContact OE2-CA 3.21Å; E396-T457 VanDerWaalsContact OE2-CB 3.26Å; E396-T457 WeakPolarHBondContact OE2-CB 3.43Å; Q453-T457 WeakPolarHBondContact O-CG2 3.44Å; Q453-T457 PolarHBondContact O-N 3.39Å; I454-T457 PolarHBondContact O-N 2.92Å; I454-T457 VanDerWaalsContact O-N 3.09Å; I454-T457 PolarHBondContact O-OG1 2.94Å; T457-A459 PolarHBondContact O-N 3.48Å; T457-F460 PolarHBondContact O-N 2.93Å; T457-F460 VanDerWaalsContact OG1-CB 3.3Å; T457-F460 WeakPolarHBondContact OG1-CB 3.43Å; T457-F460 PolarHBondContact OG1-N 3.16Å; T457-Q461 PolarHBondContact O-N 3.46Å
458	Q	80.6	Confident	80.3	Confident	67 Å²	67	57.2 Å²	57.2	31%	0.313	29%	0.292	S	S	.	.	H	α-helix	trans	-66.8	-28.2	175.4	-69.7	-174.2	26.8	0	0	111.8	E396 H400 Q461 K462	E396-Q458 WeakPolarHBondContact OE1-CB 3.4Å; E396-Q458 VanDerWaalsContact OE1-CG 3.23Å; E396-Q458 WeakPolarHBondContact OE1-CG 3.47Å; E396-Q458 PolarHBondContact OE1-N 3.03Å; E396-Q458 PolarHBondContact OE2-N 3.21Å; H400-Q458 PolarHBondContact CE1-OE1 2.98Å; H400-Q458 PolarHBondContact NE2-NE2 3.07Å; H400-Q458 PolarHBondContact NE2-OE1 3.26Å; Q458-Q461 PolarHBondContact O-N 3.29Å; Q458-K462 WeakPolarHBondContact O-CB 3.46Å; Q458-K462 WeakPolarHBondContact O-CG 3.47Å; Q458-K462 PolarHBondContact O-N 3.4Å
459	A	81	Confident	80	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.008	32%	0.318	C	S	.	.	H	α-helix	trans	-56.4	-50.3	172	0	0	0	0	0	111.1	W399 L412 L416 T457 L463	W399-A459 HydrophobicContact CD2-CB 4.01Å; W399-A459 HydrophobicContact CE3-CB 3.78Å; W399-A459 HydrophobicContact CH2-CB 3.91Å; W399-A459 HydrophobicContact CZ2-CB 4.13Å; W399-A459 HydrophobicContact CZ3-CB 3.71Å; L412-A459 HydrophobicContact CD2-CB 4.06Å; L416-A459 HydrophobicContact CD1-CB 4.48Å; T457-A459 PolarHBondContact O-N 3.48Å; A459-L463 VanDerWaalsContact O-CB 3.29Å; A459-L463 WeakPolarHBondContact O-CB 3.48Å; A459-L463 WeakPolarHBondContact O-CD1 3.39Å; A459-L463 WeakPolarHBondContact O-CG 3.35Å; A459-L463 PolarHBondContact O-N 3.25Å; A459-L463 VanDerWaalsContact O-N 3.07Å
460	F	83.6	Confident	79.9	Confident	7 Å²	7	56.9 Å²	56.9	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-65	-44.6	178.9	-173.6	-96.8	0	0	0	112.5	L416 L420 I454 T457 K462 L463 N464 F468	L416-F460 HydrophobicContact CB-CD2 4.04Å; L416-F460 HydrophobicContact CD1-CB 4.37Å; L416-F460 HydrophobicContact CD1-CD2 4.47Å; L420-F460 HydrophobicContact CD2-CE2 3.83Å; L420-F460 HydrophobicContact CD2-CZ 3.53Å; I454-F460 HydrophobicContact CG2-CB 4.47Å; I454-F460 HydrophobicContact CG2-CD2 3.72Å; I454-F460 HydrophobicContact CG2-CE2 4.13Å; I454-F460 HydrophobicContact CG2-CG 4.12Å; I454-F460 WeakPolarHBondContact O-CB 3.4Å; T457-F460 PolarHBondContact O-N 2.93Å; T457-F460 VanDerWaalsContact OG1-CB 3.3Å; T457-F460 WeakPolarHBondContact OG1-CB 3.43Å; T457-F460 PolarHBondContact OG1-N 3.16Å; F460-K462 VanDerWaalsContact C-N 3.33Å; F460-K462 PolarHBondContact O-N 3.39Å; F460-L463 PolarHBondContact O-N 2.88Å; F460-N464 HydrophobicContact CE1-CB 4.43Å; F460-N464 HydrophobicContact CE2-CB 4.46Å; F460-N464 WeakPolarHBondContact CE2-ND2 3.46Å; F460-N464 HydrophobicContact CZ-CB 4.29Å; F460-N464 WeakPolarHBondContact O-CB 3.5Å; F460-N464 PolarHBondContact O-N 3.09Å; F460-F468 HydrophobicContact CE1-CB 4.34Å; F460-F468 HydrophobicContact CE1-CD1 4.11Å; F460-F468 HydrophobicContact CE1-CG 4.28Å; F460-F468 HydrophobicContact CZ-CD1 4.28Å; F460-F468 HydrophobicContact CZ-CG 4.35Å
461	Q	82.9	Confident	79.9	Confident	113 Å²	113	60.9 Å²	60.9	53%	0.528	32%	0.315	S	S	.	.	H	α-helix	trans	-63.5	-36.2	-178.6	-68.1	174.8	5.1	0	0	113.2	C455 T457 Q458	C455-Q461 PolarHBondContact O-NE2 2.86Å; T457-Q461 PolarHBondContact O-N 3.46Å; Q458-Q461 PolarHBondContact O-N 3.29Å
462	K	79.1	Confident	79.9	Confident	133 Å²	133	64.2 Å²	64.2	58%	0.578	33%	0.334	S	S	*	.	H	α-helix	trans	-78	-35.4	177.4	-71.5	-176.1	-175.9	177.2	0	112.8	W399 Q458 F460	W399-K462 HydrophobicContact CZ2-CB 4.44Å; W399-K462 HydrophobicContact CZ2-CD 4.2Å; Q458-K462 WeakPolarHBondContact O-CB 3.46Å; Q458-K462 WeakPolarHBondContact O-CG 3.47Å; Q458-K462 PolarHBondContact O-N 3.4Å; F460-K462 VanDerWaalsContact C-N 3.33Å; F460-K462 PolarHBondContact O-N 3.39Å
463	L	78.3	Confident	80	Confident	48 Å²	48	66.9 Å²	66.9	25%	0.251	34%	0.344	S	S	.	.	H	α-helix	trans	-83.3	-25.8	-176.8	-65	170.7	0	0	0	112.8	W399 K409 L412 A459 F460 P465	W399-L463 HydrophobicContact CH2-CD1 4.13Å; W399-L463 HydrophobicContact CH2-CG 4.36Å; K409-L463 HydrophobicContact CB-CD2 4.05Å; K409-L463 WeakPolarHBondContact O-CD1 3.24Å; L412-L463 HydrophobicContact CB-CD1 4.34Å; L412-L463 HydrophobicContact CD2-CD1 4.19Å; L412-L463 HydrophobicContact CG-CD1 4.24Å; A459-L463 VanDerWaalsContact O-CB 3.29Å; A459-L463 WeakPolarHBondContact O-CB 3.48Å; A459-L463 WeakPolarHBondContact O-CD1 3.39Å; A459-L463 WeakPolarHBondContact O-CG 3.35Å; A459-L463 PolarHBondContact O-N 3.25Å; A459-L463 VanDerWaalsContact O-N 3.07Å; F460-L463 PolarHBondContact O-N 2.88Å; L463-P465 WeakPolarHBondContact O-CD 3.41Å
464	N	71.1	Confident	80.3	Confident	47 Å²	47	64.5 Å²	64.5	25%	0.251	33%	0.333	S	S	.	.			trans	-122.2	82.4	176.6	-73.9	-46.3	0	0	0	110.9	F460 A466	F460-N464 HydrophobicContact CE1-CB 4.43Å; F460-N464 HydrophobicContact CE2-CB 4.46Å; F460-N464 WeakPolarHBondContact CE2-ND2 3.46Å; F460-N464 HydrophobicContact CZ-CB 4.29Å; F460-N464 WeakPolarHBondContact O-CB 3.5Å; F460-N464 PolarHBondContact O-N 3.09Å; N464-A466 PolarHBondContact O-N 3.05Å; N464-A466 VanDerWaalsContact O-N 3.08Å
465	P	57	Low	80.5	Confident	117 Å²	117	67.5 Å²	67.5	76%	0.76	35%	0.347	S	S	*	.			trans	-74.1	6.6	-173.2	28.1	-34.6	0	0	0	115.5	L463	L463-P465 WeakPolarHBondContact O-CD 3.41Å
466	A	61.9	Low	80.7	Confident	77 Å²	77	70.4 Å²	70.4	64%	0.636	36%	0.361	S	S	*	.	S	Bend	trans	-77.2	145.5	172.8	0	0	0	0	0	110.2	N464 F468	N464-A466 PolarHBondContact O-N 3.05Å; N464-A466 VanDerWaalsContact O-N 3.08Å; A466-F468 PolarHBondContact O-N 3.27Å
467	N	64.9	Low	81.1	Confident	165 Å²	165	64.8 Å²	64.8	88%	0.882	34%	0.339	S	S	*	.			trans	-63.3	82.3	171.7	-77.2	-6.1	0	0	0	109.8
468	F	77	Confident	81.6	Confident	55 Å²	55	64.7 Å²	64.7	24%	0.241	34%	0.338	C	S	.	.			trans	-89.5	105.9	178.8	-173.4	-86.1	0	0	0	109	L420 L424 F460 A466 L470 E473	L420-F468 HydrophobicContact CD1-CE1 4.28Å; L420-F468 HydrophobicContact CD1-CZ 4.35Å; L420-F468 HydrophobicContact CD2-CD1 4.31Å; L420-F468 HydrophobicContact CD2-CE1 3.58Å; L420-F468 HydrophobicContact CD2-CE2 3.88Å; L420-F468 HydrophobicContact CD2-CZ 3.31Å; L420-F468 HydrophobicContact CG-CE1 4.32Å; L420-F468 HydrophobicContact CG-CZ 3.97Å; L424-F468 HydrophobicContact CD1-CZ 4.44Å; F460-F468 HydrophobicContact CE1-CB 4.34Å; F460-F468 HydrophobicContact CE1-CD1 4.11Å; F460-F468 HydrophobicContact CE1-CG 4.28Å; F460-F468 HydrophobicContact CZ-CD1 4.28Å; F460-F468 HydrophobicContact CZ-CG 4.35Å; A466-F468 PolarHBondContact O-N 3.27Å; F468-L470 HydrophobicContact CE1-CB 4.2Å; F468-L470 HydrophobicContact CE1-CD1 4.23Å; F468-E473 HydrophobicContact CD2-CG 4.43Å; F468-E473 HydrophobicContact CE1-CG 4.36Å; F468-E473 HydrophobicContact CE2-CG 3.67Å; F468-E473 HydrophobicContact CZ-CB 4.12Å; F468-E473 HydrophobicContact CZ-CG 3.63Å
469	E	82.2	Confident	82.2	Confident	116 Å²	116	63 Å²	63	54%	0.542	33%	0.333	S	S	.	.			trans	-100	101.6	174.7	-72.4	-175.7	-176.9	0	0	109.8	H471 N472 E473	E469-H471 PolarHBondContact O-N 3.48Å; E469-H471 VanDerWaalsContact O-N 3.07Å; E469-N472 PolarHBondContact O-N 3.03Å; E469-N472 PolarHBondContact OE2-ND2 3.33Å; E469-E473 PolarHBondContact O-N 3.22Å
470	L	86.2	Confident	82.8	Confident	17 Å²	17	66.3 Å²	66.3	9%	0.089	35%	0.353	C	S	.	.	H	α-helix	trans	-52.6	-34.4	-179.6	179.3	64.9	0	0	0	113	L420 L424 L451 V452 F468 N472 E473 V474 V533	L420-L470 HydrophobicContact CD1-CD1 4.11Å; L424-L470 HydrophobicContact CD2-CD1 4.47Å; L451-L470 HydrophobicContact CB-CD1 4.11Å; L451-L470 HydrophobicContact CB-CD2 4.09Å; V452-L470 HydrophobicContact CB-CD2 4.16Å; V452-L470 HydrophobicContact CG2-CD2 3.56Å; F468-L470 HydrophobicContact CE1-CB 4.2Å; F468-L470 HydrophobicContact CE1-CD1 4.23Å; L470-N472 VanDerWaalsContact C-N 3.33Å; L470-N472 PolarHBondContact O-N 2.93Å; L470-E473 PolarHBondContact O-N 3.48Å; L470-V474 HydrophobicContact CD1-CG2 3.89Å; L470-V474 HydrophobicContact CG-CG2 4.11Å; L470-V474 WeakPolarHBondContact O-CB 3.3Å; L470-V474 VanDerWaalsContact O-CG2 3.3Å; L470-V474 WeakPolarHBondContact O-CG2 3.15Å; L470-V474 PolarHBondContact O-N 3.14Å; L470-V533 HydrophobicContact CD2-CG1 4.24Å
471	H	87.1	Confident	83.2	Confident	83 Å²	83	66.1 Å²	66.1	38%	0.384	35%	0.353	S	S	.	.	H	α-helix	trans	-57.8	-43.7	178.3	178.9	-80.1	0	0	0	112.2	E469 H475 V535	E469-H471 PolarHBondContact O-N 3.48Å; E469-H471 VanDerWaalsContact O-N 3.07Å; H471-H475 WeakPolarHBondContact O-CB 3.48Å; H471-H475 PolarHBondContact O-N 2.91Å; H471-V535 WeakPolarHBondContact CD2-CG2 3.48Å
472	N	88.3	Confident	83.8	Confident	71 Å²	71	60.7 Å²	60.7	38%	0.38	33%	0.328	S	S	.	.	H	α-helix	trans	-73.9	-38.9	-178	-60.3	-21.3	0	0	0	111.2	E469 L470 H475 D476	E469-N472 PolarHBondContact O-N 3.03Å; E469-N472 PolarHBondContact OE2-ND2 3.33Å; L470-N472 VanDerWaalsContact C-N 3.33Å; L470-N472 PolarHBondContact O-N 2.93Å; N472-H475 WeakPolarHBondContact O-CB 3.35Å; N472-H475 PolarHBondContact O-N 3.36Å; N472-D476 WeakPolarHBondContact O-CB 3.45Å; N472-D476 VanDerWaalsContact O-CG 3.28Å; N472-D476 PolarHBondContact O-N 3.48Å
473	E	90.1	Very high	84.5	Confident	81 Å²	81	58.3 Å²	58.3	38%	0.379	32%	0.319	S	S	.	.	H	α-helix	trans	-66.8	-39.5	177.7	-65.6	-71.3	161.3	0	0	112	L424 F468 E469 L470 D476 A477	L424-E473 HydrophobicContact CD1-CB 3.89Å; L424-E473 HydrophobicContact CD2-CB 4.15Å; F468-E473 HydrophobicContact CD2-CG 4.43Å; F468-E473 HydrophobicContact CE1-CG 4.36Å; F468-E473 HydrophobicContact CE2-CG 3.67Å; F468-E473 HydrophobicContact CZ-CB 4.12Å; F468-E473 HydrophobicContact CZ-CG 3.63Å; E469-E473 PolarHBondContact O-N 3.22Å; L470-E473 PolarHBondContact O-N 3.48Å; E473-D476 PolarHBondContact O-N 3.28Å; E473-A477 VanDerWaalsContact O-CB 3.27Å; E473-A477 WeakPolarHBondContact O-CB 3.27Å; E473-A477 PolarHBondContact O-N 3.43Å
474	V	91.9	Very high	85.2	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-65.6	-42.7	172.6	170.5	0	0	0	0	110.7	L424 V427 L470 D476 A477 I478 F529 V533 V535	L424-V474 HydrophobicContact CD2-CG2 3.75Å; V427-V474 HydrophobicContact CG1-CG1 4.18Å; L470-V474 HydrophobicContact CD1-CG2 3.89Å; L470-V474 HydrophobicContact CG-CG2 4.11Å; L470-V474 WeakPolarHBondContact O-CB 3.3Å; L470-V474 VanDerWaalsContact O-CG2 3.3Å; L470-V474 WeakPolarHBondContact O-CG2 3.15Å; L470-V474 PolarHBondContact O-N 3.14Å; V474-D476 PolarHBondContact O-N 2.63Å; V474-A477 PolarHBondContact O-N 3.49Å; V474-I478 HydrophobicContact CG1-CD1 3.74Å; V474-I478 HydrophobicContact CG1-CG1 4.42Å; V474-I478 WeakPolarHBondContact O-CD1 3.21Å; V474-I478 WeakPolarHBondContact O-CG1 3.43Å; V474-I478 PolarHBondContact O-N 2.86Å; V474-F529 HydrophobicContact CG1-CD1 4.2Å; V474-F529 HydrophobicContact CG1-CE1 4.15Å; V474-V533 HydrophobicContact CG1-CG2 4.26Å; V474-V535 HydrophobicContact CB-CG2 4.5Å; V474-V535 HydrophobicContact CG1-CG2 4.2Å
475	H	91.5	Very high	86.3	Confident	63 Å²	63	59.2 Å²	59.2	29%	0.292	32%	0.319	S	S	.	.	H	α-helix	trans	-56.3	-49.9	174.3	173.3	-78.5	0	0	0	111.3	H471 N472 A477 I478 V479 V540	H471-H475 WeakPolarHBondContact O-CB 3.48Å; H471-H475 PolarHBondContact O-N 2.91Å; N472-H475 WeakPolarHBondContact O-CB 3.35Å; N472-H475 PolarHBondContact O-N 3.36Å; H475-A477 PolarHBondContact O-N 3.25Å; H475-I478 PolarHBondContact O-N 3Å; H475-V479 WeakPolarHBondContact O-CG2 3.27Å; H475-V479 PolarHBondContact O-N 2.99Å; H475-V540 WeakPolarHBondContact CD2-CG2 3.39Å
476	D	91.4	Very high	88.1	Confident	83 Å²	83	54 Å²	54	44%	0.444	28%	0.284	S	S	.	.	H	α-helix	trans	-68.5	-36.1	-177.8	-69.2	-9.2	0	0	0	112.4	N472 E473 V474 I478 V479 T480	N472-D476 WeakPolarHBondContact O-CB 3.45Å; N472-D476 VanDerWaalsContact O-CG 3.28Å; N472-D476 PolarHBondContact O-N 3.48Å; E473-D476 PolarHBondContact O-N 3.28Å; V474-D476 PolarHBondContact O-N 2.63Å; D476-I478 VanDerWaalsContact C-N 3.35Å; D476-V479 PolarHBondContact O-N 3.2Å; D476-T480 WeakPolarHBondContact O-CB 3.38Å; D476-T480 PolarHBondContact O-N 3.48Å; D476-T480 PolarHBondContact O-OG1 3.42Å
477	A	92.8	Very high	89.6	Confident	14 Å²	14	54.5 Å²	54.5	12%	0.116	28%	0.28	C	S	.	.	H	α-helix	trans	-61.3	-42.1	171.7	0	0	0	0	0	111.7	L424 V427 S428 E473 V474 H475 G481	L424-A477 HydrophobicContact CD2-CB 4.42Å; V427-A477 HydrophobicContact CG1-CB 4.46Å; S428-A477 WeakPolarHBondContact CA-O 3.32Å; S428-A477 WeakPolarHBondContact CB-O 3.39Å; E473-A477 VanDerWaalsContact O-CB 3.27Å; E473-A477 WeakPolarHBondContact O-CB 3.27Å; E473-A477 PolarHBondContact O-N 3.43Å; V474-A477 PolarHBondContact O-N 3.49Å; H475-A477 PolarHBondContact O-N 3.25Å; A477-G481 PolarHBondContact O-N 3.49Å
478	I	94.3	Very high	90.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-67.7	-42.4	177.3	-67.9	165.1	0	0	0	111	V427 V474 H475 D476 T482 F529 V535 V537 V540 V541	V427-I478 HydrophobicContact CG1-CG1 4.15Å; V474-I478 HydrophobicContact CG1-CD1 3.74Å; V474-I478 HydrophobicContact CG1-CG1 4.42Å; V474-I478 WeakPolarHBondContact O-CD1 3.21Å; V474-I478 WeakPolarHBondContact O-CG1 3.43Å; V474-I478 PolarHBondContact O-N 2.86Å; H475-I478 PolarHBondContact O-N 3Å; D476-I478 VanDerWaalsContact C-N 3.35Å; I478-T482 VanDerWaalsContact O-CB 3.24Å; I478-T482 WeakPolarHBondContact O-CB 3.42Å; I478-T482 PolarHBondContact O-N 2.78Å; I478-T482 PolarHBondContact O-OG1 3.34Å; I478-F529 HydrophobicContact CD1-CD1 4.07Å; I478-F529 HydrophobicContact CD1-CE1 3.78Å; I478-F529 HydrophobicContact CD1-CZ 4.31Å; I478-F529 HydrophobicContact CG1-CE1 4.41Å; I478-V535 HydrophobicContact CD1-CG1 4.38Å; I478-V537 HydrophobicContact CD1-CB 4.5Å; I478-V537 HydrophobicContact CD1-CG1 4.28Å; I478-V537 HydrophobicContact CD1-CG2 3.54Å; I478-V537 HydrophobicContact CG2-CG1 4.21Å; I478-V540 HydrophobicContact CB-CG1 4.46Å; I478-V540 HydrophobicContact CG2-CG1 3.93Å; I478-V541 HydrophobicContact CG2-CG2 3.76Å
479	V	93.8	Very high	91.6	Very high	33 Å²	33	50.9 Å²	50.9	20%	0.2	26%	0.26	C	S	.	.	H	α-helix	trans	-61.2	-48.8	177.3	170.9	0	0	0	0	110.6	H475 D476 T482 E483 V540 K544	H475-V479 WeakPolarHBondContact O-CG2 3.27Å; H475-V479 PolarHBondContact O-N 2.99Å; D476-V479 PolarHBondContact O-N 3.2Å; V479-T482 PolarHBondContact O-N 2.92Å; V479-E483 PolarHBondContact O-N 3.17Å; V479-E483 VanDerWaalsContact O-N 3.1Å; V479-V540 HydrophobicContact CG2-CG1 3.52Å; V479-K544 HydrophobicContact CG1-CD 4.09Å; V479-K544 HydrophobicContact CG1-CG 4.5Å
480	T	93.2	Very high	92	Very high	69 Å²	69	49.2 Å²	49.2	42%	0.423	25%	0.251	S	S	.	.	H	α-helix	trans	-62.8	-48.4	179.3	-53.6	0	0	0	0	110.8	D476 T482 E483 E484	D476-T480 WeakPolarHBondContact O-CB 3.38Å; D476-T480 PolarHBondContact O-N 3.48Å; D476-T480 PolarHBondContact O-OG1 3.42Å; T480-T482 VanDerWaalsContact C-N 3.29Å; T480-T482 PolarHBondContact O-N 3.39Å; T480-E483 PolarHBondContact O-N 3.06Å; T480-E484 WeakPolarHBondContact O-CG 3.42Å; T480-E484 PolarHBondContact O-N 2.94Å
481	G	93.1	Very high	92.1	Very high	3 Å²	3	50.2 Å²	50.2	3%	0.031	27%	0.265	C	S	.	.	H	α-helix	trans	-62.1	-34.8	178.3	0	0	0	0	0	113.6	S428 A477 W485	S428-G481 VanDerWaalsContact O-CA 3.27Å; S428-G481 WeakPolarHBondContact O-CA 3.26Å; A477-G481 PolarHBondContact O-N 3.49Å; G481-W485 VanDerWaalsContact O-CB 3.22Å; G481-W485 WeakPolarHBondContact O-CB 3.36Å; G481-W485 PolarHBondContact O-N 2.71Å
482	T	94.5	Very high	92.3	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-70.2	-37.1	176.5	-58	0	0	0	0	111.8	R431 I478 V479 T480 F486 V541 K544 F545	R431-T482 PolarHBondContact NH1-OG1 3.26Å; R431-T482 VanDerWaalsContact NH1-OG1 3.11Å; R431-T482 PolarHBondContact NH2-OG1 3.02Å; I478-T482 VanDerWaalsContact O-CB 3.24Å; I478-T482 WeakPolarHBondContact O-CB 3.42Å; I478-T482 PolarHBondContact O-N 2.78Å; I478-T482 PolarHBondContact O-OG1 3.34Å; V479-T482 PolarHBondContact O-N 2.92Å; T480-T482 VanDerWaalsContact C-N 3.29Å; T480-T482 PolarHBondContact O-N 3.39Å; T482-F486 WeakPolarHBondContact O-CB 3.34Å; T482-F486 PolarHBondContact O-N 2.95Å; T482-V541 HydrophobicContact CG2-CG1 4.23Å; T482-K544 HydrophobicContact CG2-CB 4.37Å; T482-K544 HydrophobicContact CG2-CG 4.26Å; T482-F545 HydrophobicContact CG2-CD1 3.92Å; T482-F545 HydrophobicContact CG2-CD2 4.37Å; T482-F545 HydrophobicContact CG2-CE1 3.52Å; T482-F545 HydrophobicContact CG2-CE2 4.05Å; T482-F545 HydrophobicContact CG2-CG 4.31Å; T482-F545 HydrophobicContact CG2-CZ 3.61Å
483	E	94.3	Very high	92.3	Very high	83 Å²	83	50 Å²	50	39%	0.388	27%	0.265	S	S	.	.	H	α-helix	trans	-69	-42.8	175.6	-175	160	-152.8	0	0	112.6	V479 T480 F486 T487 K544	V479-E483 PolarHBondContact O-N 3.17Å; V479-E483 VanDerWaalsContact O-N 3.1Å; T480-E483 PolarHBondContact O-N 3.06Å; E483-F486 PolarHBondContact O-N 3.41Å; E483-T487 WeakPolarHBondContact O-CB 3.39Å; E483-T487 PolarHBondContact O-N 3.24Å; E483-T487 PolarHBondContact O-OG1 3.23Å; E483-K544 VanDerWaalsContact CD-NZ 3.28Å; E483-K544 IonicContact OE1-NZ 2.77Å; E483-K544 VanDerWaalsContact OE2-CE 3.27Å; E483-K544 WeakPolarHBondContact OE2-CE 3.3Å; E483-K544 IonicContact OE2-NZ 3.02Å; E483-K544 PolarHBondContact OE2-NZ 2.95Å
484	E	92.8	Very high	92	Very high	91 Å²	91	52.4 Å²	52.4	43%	0.425	28%	0.276	S	S	.	.	H	α-helix	trans	-61.2	-48.6	173.7	-72.1	179.8	-178.8	0	0	111.1	T480 F486 T487 I488	T480-E484 WeakPolarHBondContact O-CG 3.42Å; T480-E484 PolarHBondContact O-N 2.94Å; E484-F486 PolarHBondContact O-N 2.9Å; E484-T487 PolarHBondContact O-N 3.1Å; E484-I488 WeakPolarHBondContact O-CG1 3.38Å; E484-I488 PolarHBondContact O-N 2.95Å
485	W	94.3	Very high	91.7	Very high	22 Å²	22	55.1 Å²	55.1	8%	0.083	29%	0.294	C	S	.	.	H	α-helix	trans	-58.8	-46.8	177.9	-176.2	93.1	0	0	0	111.6	G481 T487 I488 K489 E513 V514 D517 F545	G481-W485 VanDerWaalsContact O-CB 3.22Å; G481-W485 WeakPolarHBondContact O-CB 3.36Å; G481-W485 PolarHBondContact O-N 2.71Å; W485-T487 VanDerWaalsContact C-N 3.3Å; W485-T487 PolarHBondContact O-N 2.95Å; W485-I488 PolarHBondContact O-N 3.45Å; W485-K489 HydrophobicContact CD2-CG 3.79Å; W485-K489 HydrophobicContact CE3-CG 3.9Å; W485-K489 HydrophobicContact CH2-CG 3.73Å; W485-K489 HydrophobicContact CZ2-CD 4.2Å; W485-K489 HydrophobicContact CZ2-CG 3.61Å; W485-K489 HydrophobicContact CZ3-CB 4.45Å; W485-K489 HydrophobicContact CZ3-CG 3.87Å; W485-K489 WeakPolarHBondContact O-CG 3.31Å; W485-K489 PolarHBondContact O-N 3.42Å; W485-E513 HydrophobicContact CH2-CB 4.37Å; W485-V514 HydrophobicContact CZ3-CG2 4.09Å; W485-D517 HydrophobicContact CH2-CB 3.96Å; W485-D517 HydrophobicContact CZ2-CB 4.33Å; W485-D517 HydrophobicContact CZ3-CB 4.46Å; W485-F545 AromaticContact CE3-CE1 3.91Å; W485-F545 HydrophobicContact CE3-CE1 3.91Å; W485-F545 AromaticContact CE3-CZ 3.73Å; W485-F545 HydrophobicContact CE3-CZ 3.73Å; W485-F545 AromaticContact CZ3-CE1 3.94Å; W485-F545 HydrophobicContact CZ3-CE1 3.94Å; W485-F545 AromaticContact CZ3-CZ 3.65Å; W485-F545 HydrophobicContact CZ3-CZ 3.65Å
486	F	94.2	Very high	91	Very high	7 Å²	7	60.1 Å²	60.1	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-59.4	-42.4	177	-175.2	-95.5	0	0	0	111.8	T482 E483 E484 K489 K490 L510 V514 F545 L548 L549 E552	T482-F486 WeakPolarHBondContact O-CB 3.34Å; T482-F486 PolarHBondContact O-N 2.95Å; E483-F486 PolarHBondContact O-N 3.41Å; E484-F486 PolarHBondContact O-N 2.9Å; F486-K489 PolarHBondContact O-N 3.45Å; F486-K490 HydrophobicContact CE1-CD 4.41Å; F486-K490 VanDerWaalsContact O-CB 3.23Å; F486-K490 WeakPolarHBondContact O-CB 3.35Å; F486-K490 PolarHBondContact O-N 3.21Å; F486-L510 HydrophobicContact CE2-CD2 4.34Å; F486-L510 HydrophobicContact CZ-CD2 4.12Å; F486-V514 HydrophobicContact CD2-CG2 3.97Å; F486-V514 HydrophobicContact CE2-CG2 3.96Å; F486-F545 HydrophobicContact CB-CE1 4.14Å; F486-F545 AromaticContact CD2-CD1 3.99Å; F486-F545 HydrophobicContact CD2-CD1 3.99Å; F486-F545 AromaticContact CD2-CE1 4Å; F486-F545 HydrophobicContact CD2-CE1 4Å; F486-L548 HydrophobicContact CB-CD1 3.87Å; F486-L548 HydrophobicContact CD1-CB 4.04Å; F486-L548 HydrophobicContact CD1-CD1 4Å; F486-L548 HydrophobicContact CD1-CG 4.42Å; F486-L548 HydrophobicContact CD2-CB 4.44Å; F486-L548 HydrophobicContact CE1-CB 3.96Å; F486-L548 HydrophobicContact CE2-CB 4.36Å; F486-L548 HydrophobicContact CG-CB 4.28Å; F486-L548 HydrophobicContact CG-CD1 3.88Å; F486-L548 HydrophobicContact CZ-CB 4.12Å; F486-L549 HydrophobicContact CE2-CD2 3.76Å; F486-L549 HydrophobicContact CE2-CG 4.3Å; F486-L549 HydrophobicContact CZ-CD2 4.18Å; F486-E552 HydrophobicContact CZ-CB 4.33Å
487	T	93.2	Very high	90.5	Very high	89 Å²	89	59.8 Å²	59.8	55%	0.546	32%	0.32	S	S	.	.	H	α-helix	trans	-64	-41.6	179	-56.9	0	0	0	0	111.6	E483 E484 W485 G491	E483-T487 WeakPolarHBondContact O-CB 3.39Å; E483-T487 PolarHBondContact O-N 3.24Å; E483-T487 PolarHBondContact O-OG1 3.23Å; E484-T487 PolarHBondContact O-N 3.1Å; W485-T487 VanDerWaalsContact C-N 3.3Å; W485-T487 PolarHBondContact O-N 2.95Å; T487-G491 PolarHBondContact O-N 3.37Å
488	I	92.3	Very high	90	Very high	99 Å²	99	68.9 Å²	68.9	51%	0.508	36%	0.357	S	S	.	.	H	α-helix	trans	-63.7	-49.5	175.4	-67.1	164.7	0	0	0	110.3	E484 W485 K490 G491 L492	E484-I488 WeakPolarHBondContact O-CG1 3.38Å; E484-I488 PolarHBondContact O-N 2.95Å; W485-I488 PolarHBondContact O-N 3.45Å; I488-K490 PolarHBondContact O-N 2.92Å; I488-G491 WeakPolarHBondContact O-CA 3.48Å; I488-G491 PolarHBondContact O-N 3.33Å; I488-L492 HydrophobicContact CG2-CD1 4.26Å; I488-L492 WeakPolarHBondContact O-CG 3.35Å; I488-L492 PolarHBondContact O-N 2.89Å
489	K	91.7	Very high	89.6	Confident	45 Å²	45	72.6 Å²	72.6	20%	0.196	38%	0.377	C	S	.	.	H	α-helix	trans	-63.4	-40.7	179.6	-66.7	-45.6	-163.6	136.5	0	112.6	W485 F486 G491 L492 H493 L510 E513	W485-K489 HydrophobicContact CD2-CG 3.79Å; W485-K489 HydrophobicContact CE3-CG 3.9Å; W485-K489 HydrophobicContact CH2-CG 3.73Å; W485-K489 HydrophobicContact CZ2-CD 4.2Å; W485-K489 HydrophobicContact CZ2-CG 3.61Å; W485-K489 HydrophobicContact CZ3-CB 4.45Å; W485-K489 HydrophobicContact CZ3-CG 3.87Å; W485-K489 WeakPolarHBondContact O-CG 3.31Å; W485-K489 PolarHBondContact O-N 3.42Å; F486-K489 PolarHBondContact O-N 3.45Å; K489-G491 VanDerWaalsContact C-N 3.26Å; K489-G491 PolarHBondContact O-N 2.85Å; K489-L492 HydrophobicContact CD-CD1 3.95Å; K489-L492 PolarHBondContact O-N 3.18Å; K489-H493 PolarHBondContact O-CD2 2.73Å; K489-H493 VanDerWaalsContact O-CD2 3.3Å; K489-H493 PolarHBondContact O-N 2.77Å; K489-L510 HydrophobicContact CB-CD1 3.82Å; K489-E513 WeakPolarHBondContact CD-OE2 3.39Å; K489-E513 WeakPolarHBondContact CE-OE2 3.29Å; K489-E513 IonicContact NZ-OE1 2.73Å; K489-E513 IonicContact NZ-OE2 2.77Å; K489-E513 PolarHBondContact NZ-OE2 2.9Å
490	K	90.1	Very high	89.2	Confident	81 Å²	81	72.8 Å²	72.8	35%	0.352	38%	0.377	S	S	.	.	H	α-helix	trans	-57.9	-40.3	171.2	178.2	178.5	171.3	173.2	0	111.6	F486 I488 Q494 L510 E552	F486-K490 HydrophobicContact CE1-CD 4.41Å; F486-K490 VanDerWaalsContact O-CB 3.23Å; F486-K490 WeakPolarHBondContact O-CB 3.35Å; F486-K490 PolarHBondContact O-N 3.21Å; I488-K490 PolarHBondContact O-N 2.92Å; K490-Q494 PolarHBondContact O-N 3.02Å; K490-L510 HydrophobicContact CB-CD1 4.47Å; K490-L510 HydrophobicContact CB-CD2 4.11Å; K490-L510 HydrophobicContact CG-CD2 4.32Å; K490-E552 VanDerWaalsContact CE-CD 3.48Å; K490-E552 WeakPolarHBondContact CE-OE1 3.47Å; K490-E552 VanDerWaalsContact CE-OE2 3.32Å; K490-E552 WeakPolarHBondContact CE-OE2 3.41Å; K490-E552 VanDerWaalsContact NZ-CD 3.26Å; K490-E552 IonicContact NZ-OE1 3.21Å; K490-E552 PolarHBondContact NZ-OE1 3.33Å; K490-E552 VanDerWaalsContact NZ-OE1 3.16Å; K490-E552 IonicContact NZ-OE2 2.97Å; K490-E552 PolarHBondContact NZ-OE2 3.4Å
491	G	89.7	Confident	88.8	Confident	37 Å²	37	71.8 Å²	71.8	38%	0.381	37%	0.371	S	S	.	.	H	α-helix	trans	-63.5	-41.6	174.2	0	0	0	0	0	113.6	T487 I488 K489 Q494	T487-G491 PolarHBondContact O-N 3.37Å; I488-G491 WeakPolarHBondContact O-CA 3.48Å; I488-G491 PolarHBondContact O-N 3.33Å; K489-G491 VanDerWaalsContact C-N 3.26Å; K489-G491 PolarHBondContact O-N 2.85Å; G491-Q494 WeakPolarHBondContact O-CG 3.22Å; G491-Q494 PolarHBondContact O-N 2.88Å
492	L	90.8	Very high	88.6	Confident	121 Å²	121	73.7 Å²	73.7	63%	0.634	38%	0.379	S	S	*	.	H	α-helix	trans	-68.7	-34.2	179	-68.6	173.5	0	0	0	113	I488 K489 Q494	I488-L492 HydrophobicContact CG2-CD1 4.26Å; I488-L492 WeakPolarHBondContact O-CG 3.35Å; I488-L492 PolarHBondContact O-N 2.89Å; K489-L492 HydrophobicContact CD-CD1 3.95Å; K489-L492 PolarHBondContact O-N 3.18Å; L492-Q494 VanDerWaalsContact C-N 3.34Å
493	H	87.8	Confident	88.2	Confident	29 Å²	29	75.1 Å²	75.1	13%	0.134	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	25.9	178.3	-67.7	-67.5	0	0	0	113	K489 A506 L510 E513	K489-H493 PolarHBondContact O-CD2 2.73Å; K489-H493 VanDerWaalsContact O-CD2 3.3Å; K489-H493 PolarHBondContact O-N 2.77Å; H493-A506 WeakPolarHBondContact O-CB 3.43Å; H493-L510 HydrophobicContact CB-CB 4.25Å; H493-E513 IonicContact CD2-OE1 3.94Å; H493-E513 IonicContact CE1-OE1 2.81Å; H493-E513 PolarHBondContact CE1-OE1 2.98Å; H493-E513 IonicContact NE2-OE1 3.81Å; H493-E513 PolarHBondContact NE2-OE1 3.3Å; H493-E513 IonicContact NE2-OE2 2.8Å
494	Q	85.3	Confident	87.9	Confident	132 Å²	132	71.1 Å²	71.1	62%	0.617	37%	0.368	S	S	*	.			trans	-61.5	141.8	171.6	-78.4	-173.4	8.5	0	0	110.8	K490 G491 L492 M496	K490-Q494 PolarHBondContact O-N 3.02Å; G491-Q494 WeakPolarHBondContact O-CG 3.22Å; G491-Q494 PolarHBondContact O-N 2.88Å; L492-Q494 VanDerWaalsContact C-N 3.34Å; Q494-M496 PolarHBondContact O-N 3.08Å
495	P	83.9	Confident	87.7	Confident	57 Å²	57	68.8 Å²	68.8	37%	0.37	36%	0.361	S	S	.	.			trans	-63.4	132.1	-179.4	28.1	-35.4	0	0	0	110.1	T497 E502 I503 A506	P495-T497 PolarHBondContact O-N 3.13Å; P495-E502 HydrophobicContact CB-CG 4.2Å; P495-I503 HydrophobicContact CB-CG1 3.88Å; P495-I503 HydrophobicContact CG-CG1 3.97Å; P495-A506 HydrophobicContact CB-CB 4.17Å
496	M	76.9	Confident	87.4	Confident	167 Å²	167	68 Å²	68	82%	0.823	36%	0.359	S	S	*	.	S	Bend	trans	-70.3	-24	-178.9	-72.3	-176	165.3	0	0	112.6	Q494	Q494-M496 PolarHBondContact O-N 3.08Å
497	T	82.1	Confident	87.3	Confident	77 Å²	77	68 Å²	68	47%	0.472	36%	0.359	S	S	.	.	S	Bend	trans	-130.3	164	179.2	63.7	0	0	0	0	110	P495 D499 E502	P495-T497 PolarHBondContact O-N 3.13Å; T497-D499 PolarHBondContact O-N 3.29Å; T497-D499 WeakPolarHBondContact OG1-CB 3.41Å; T497-D499 PolarHBondContact OG1-N 2.89Å; T497-E502 WeakPolarHBondContact OG1-CB 3.42Å
498	K	81.8	Confident	87.3	Confident	204 Å²	204	64.8 Å²	64.8	89%	0.887	34%	0.341	S	S	*	.	S	Bend	trans	-79.9	10.8	171.9	-65.1	-173.3	177.8	-177.5	0	113
499	D	86.2	Confident	87.3	Confident	78 Å²	78	64.5 Å²	64.5	42%	0.417	33%	0.333	S	S	.	.			trans	-73.3	135.4	179.9	-179.4	45.3	0	0	0	110.7	T497 T501 E502 I503	T497-D499 PolarHBondContact O-N 3.29Å; T497-D499 WeakPolarHBondContact OG1-CB 3.41Å; T497-D499 PolarHBondContact OG1-N 2.89Å; D499-T501 VanDerWaalsContact C-N 3.26Å; D499-T501 PolarHBondContact O-N 3.41Å; D499-T501 WeakPolarHBondContact OD2-CB 3.17Å; D499-T501 PolarHBondContact OD2-N 3.24Å; D499-T501 PolarHBondContact OD2-OG1 3.06Å; D499-E502 HydrophobicContact CB-CB 4.36Å; D499-E502 PolarHBondContact O-N 3.02Å; D499-I503 WeakPolarHBondContact O-CG1 3.4Å; D499-I503 PolarHBondContact O-N 2.89Å
500	L	84.7	Confident	87.4	Confident	37 Å²	37	62.6 Å²	62.6	19%	0.194	33%	0.325	C	S	.	.	H	α-helix	trans	-63.8	-34.2	-176	-61.5	174.9	0	0	0	111.7	I503 G504 I559 M560 Q563 L568	L500-I503 HydrophobicContact CD2-CD1 4.26Å; L500-I503 PolarHBondContact O-N 3.44Å; L500-G504 PolarHBondContact O-N 2.67Å; L500-I559 HydrophobicContact CD2-CG2 4.28Å; L500-M560 HydrophobicContact CB-CE 4.42Å; L500-M560 HydrophobicContact CD2-CG 4.37Å; L500-M560 WeakPolarHBondContact O-CE 3.44Å; L500-Q563 HydrophobicContact CD1-CB 4.15Å; L500-Q563 VanDerWaalsContact CD1-OE1 3.3Å; L500-L568 HydrophobicContact CB-CD1 3.87Å; L500-L568 HydrophobicContact CB-CD2 4.26Å; L500-L568 HydrophobicContact CD1-CD2 4.28Å; L500-L568 WeakPolarHBondContact O-CD1 3.04Å
501	T	85.3	Confident	87.5	Confident	48 Å²	48	58.8 Å²	58.8	29%	0.294	31%	0.308	S	S	.	.	H	α-helix	trans	-69.3	-36	179.8	76.4	0	0	0	0	112.1	D499 G504 S505 N567	D499-T501 VanDerWaalsContact C-N 3.26Å; D499-T501 PolarHBondContact O-N 3.41Å; D499-T501 WeakPolarHBondContact OD2-CB 3.17Å; D499-T501 PolarHBondContact OD2-N 3.24Å; D499-T501 PolarHBondContact OD2-OG1 3.06Å; T501-G504 PolarHBondContact O-N 3.18Å; T501-S505 WeakPolarHBondContact O-CB 3.41Å; T501-S505 PolarHBondContact O-N 2.89Å; T501-S505 PolarHBondContact O-OG 3.34Å; T501-N567 HydrophobicContact CG2-CB 4.22Å
502	E	88.6	Confident	87.7	Confident	44 Å²	44	59 Å²	59	21%	0.206	31%	0.307	C	S	.	.	H	α-helix	trans	-69.5	-37	173.6	179.6	57.8	-165.8	0	0	111.5	P495 T497 D499 G504 S505 A506 R509	P495-E502 HydrophobicContact CB-CG 4.2Å; T497-E502 WeakPolarHBondContact OG1-CB 3.42Å; D499-E502 HydrophobicContact CB-CB 4.36Å; D499-E502 PolarHBondContact O-N 3.02Å; E502-G504 PolarHBondContact O-N 3.29Å; E502-S505 PolarHBondContact O-N 3.36Å; E502-A506 WeakPolarHBondContact O-CB 3.39Å; E502-A506 PolarHBondContact O-N 2.87Å; E502-R509 IonicContact OE1-NH2 3.75Å; E502-R509 PolarHBondContact OE1-NH2 3.18Å
503	I	87.1	Confident	87.8	Confident	29 Å²	29	55.7 Å²	55.7	15%	0.149	29%	0.288	C	S	.	.	H	α-helix	trans	-59.9	-45.8	173.1	-65.3	168.5	0	0	0	110.8	P495 D499 L500 A506 L507 T556 M560	P495-I503 HydrophobicContact CB-CG1 3.88Å; P495-I503 HydrophobicContact CG-CG1 3.97Å; D499-I503 WeakPolarHBondContact O-CG1 3.4Å; D499-I503 PolarHBondContact O-N 2.89Å; L500-I503 HydrophobicContact CD2-CD1 4.26Å; L500-I503 PolarHBondContact O-N 3.44Å; I503-A506 PolarHBondContact O-N 3.31Å; I503-L507 PolarHBondContact O-N 2.83Å; I503-T556 HydrophobicContact CG2-CG2 3.54Å; I503-M560 HydrophobicContact CB-CE 3.88Å; I503-M560 HydrophobicContact CG2-CE 3.76Å
504	G	86.8	Confident	88.1	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.4	-40.6	175.4	0	0	0	0	0	112.8	L500 T501 E502 L507 S508	L500-G504 PolarHBondContact O-N 2.67Å; T501-G504 PolarHBondContact O-N 3.18Å; E502-G504 PolarHBondContact O-N 3.29Å; G504-L507 PolarHBondContact O-N 3.11Å; G504-S508 PolarHBondContact O-N 3.38Å
505	S	88.4	Confident	88.5	Confident	42 Å²	42	50.9 Å²	50.9	29%	0.294	27%	0.266	S	S	.	.	H	α-helix	trans	-68.9	-36.3	178.4	-58	0	0	0	0	112.7	T501 E502 S508 R509	T501-S505 WeakPolarHBondContact O-CB 3.41Å; T501-S505 PolarHBondContact O-N 2.89Å; T501-S505 PolarHBondContact O-OG 3.34Å; E502-S505 PolarHBondContact O-N 3.36Å; S505-S508 PolarHBondContact O-N 3.32Å; S505-R509 PolarHBondContact O-N 2.92Å; S505-R509 VanDerWaalsContact O-N 3.11Å; S505-R509 PolarHBondContact O-NE 2.98Å
506	A	89.7	Confident	88.9	Confident	4 Å²	4	53.7 Å²	53.7	3%	0.033	27%	0.274	C	S	.	.	H	α-helix	trans	-63.3	-46	172.2	0	0	0	0	0	111.4	H493 P495 E502 I503 S508 R509 L510	H493-A506 WeakPolarHBondContact O-CB 3.43Å; P495-A506 HydrophobicContact CB-CB 4.17Å; E502-A506 WeakPolarHBondContact O-CB 3.39Å; E502-A506 PolarHBondContact O-N 2.87Å; I503-A506 PolarHBondContact O-N 3.31Å; A506-S508 VanDerWaalsContact C-N 3.32Å; A506-S508 PolarHBondContact O-N 3.17Å; A506-R509 PolarHBondContact O-N 3.1Å; A506-L510 PolarHBondContact O-N 3.2Å; A506-L510 VanDerWaalsContact O-N 3.07Å
507	L	91.6	Very high	89.7	Confident	7 Å²	7	46.5 Å²	46.5	4%	0.037	24%	0.239	C	C	.	.	H	α-helix	trans	-59.8	-42.8	173.6	-179.2	63.8	0	0	0	111.4	I503 G504 R509 L510 I511 E552 V553 T556 V575	I503-L507 PolarHBondContact O-N 2.83Å; G504-L507 PolarHBondContact O-N 3.11Å; L507-R509 VanDerWaalsContact C-N 3.32Å; L507-R509 PolarHBondContact O-N 3.33Å; L507-L510 PolarHBondContact O-N 3.36Å; L507-I511 HydrophobicContact CD1-CD1 3.93Å; L507-I511 HydrophobicContact CD1-CG1 4.14Å; L507-I511 HydrophobicContact CD2-CD1 4.43Å; L507-I511 HydrophobicContact CG-CD1 3.81Å; L507-I511 HydrophobicContact CG-CG1 4.39Å; L507-I511 VanDerWaalsContact O-CG1 3.31Å; L507-I511 WeakPolarHBondContact O-CG1 3.29Å; L507-I511 PolarHBondContact O-N 2.72Å; L507-E552 HydrophobicContact CD1-CG 4.06Å; L507-V553 HydrophobicContact CD1-CG2 4.42Å; L507-V553 HydrophobicContact CD2-CG2 4.38Å; L507-T556 HydrophobicContact CD2-CG2 3.96Å; L507-V575 HydrophobicContact CD2-CG1 3.8Å; L507-V575 HydrophobicContact CD2-CG2 4.44Å; L507-V575 HydrophobicContact CG-CG1 4.18Å; L507-V575 HydrophobicContact CG-CG2 4.44Å
508	S	91.9	Very high	90.2	Very high	22 Å²	22	42.9 Å²	42.9	15%	0.154	22%	0.217	C	C	.	.	H	α-helix	trans	-59.2	-40.9	176.7	-175.5	0	0	0	0	112.6	G504 S505 A506 A512 P574	G504-S508 PolarHBondContact O-N 3.38Å; S505-S508 PolarHBondContact O-N 3.32Å; A506-S508 VanDerWaalsContact C-N 3.32Å; A506-S508 PolarHBondContact O-N 3.17Å; S508-A512 WeakPolarHBondContact O-CB 3.4Å; S508-A512 PolarHBondContact O-N 3.02Å; S508-P574 WeakPolarHBondContact OG-CB 3.24Å
509	R	92	Very high	90.6	Very high	94 Å²	94	39.1 Å²	39.1	36%	0.355	20%	0.2	S	C	.	.	H	α-helix	trans	-66.4	-43.5	177.5	-74.9	179.4	-79.3	158	-12.5	111.8	E502 S505 A506 L507 A512 E513	E502-R509 IonicContact OE1-NH2 3.75Å; E502-R509 PolarHBondContact OE1-NH2 3.18Å; S505-R509 PolarHBondContact O-N 2.92Å; S505-R509 VanDerWaalsContact O-N 3.11Å; S505-R509 PolarHBondContact O-NE 2.98Å; A506-R509 PolarHBondContact O-N 3.1Å; L507-R509 VanDerWaalsContact C-N 3.32Å; L507-R509 PolarHBondContact O-N 3.33Å; R509-A512 PolarHBondContact O-N 3.12Å; R509-E513 PolarHBondContact O-N 3.09Å; R509-E513 VanDerWaalsContact O-N 3.13Å
510	L	94.1	Very high	90.9	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.026	19%	0.193	C	C	.	.	H	α-helix	trans	-60.5	-48	176.4	178.5	62.3	0	0	0	111.8	F486 K489 K490 H493 A506 L507 A512 E513 V514 E552	F486-L510 HydrophobicContact CE2-CD2 4.34Å; F486-L510 HydrophobicContact CZ-CD2 4.12Å; K489-L510 HydrophobicContact CB-CD1 3.82Å; K490-L510 HydrophobicContact CB-CD1 4.47Å; K490-L510 HydrophobicContact CB-CD2 4.11Å; K490-L510 HydrophobicContact CG-CD2 4.32Å; H493-L510 HydrophobicContact CB-CB 4.25Å; A506-L510 PolarHBondContact O-N 3.2Å; A506-L510 VanDerWaalsContact O-N 3.07Å; L507-L510 PolarHBondContact O-N 3.36Å; L510-A512 VanDerWaalsContact C-N 3.3Å; L510-A512 PolarHBondContact O-N 3.49Å; L510-E513 PolarHBondContact O-N 2.99Å; L510-V514 WeakPolarHBondContact O-CG2 3.49Å; L510-V514 PolarHBondContact O-N 3.29Å; L510-E552 HydrophobicContact CD2-CG 4.43Å
511	I	93.9	Very high	91.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.2	-36.7	-179.7	-62.9	172.7	0	0	0	110.9	L507 V514 Q515 L549 V553 V575 L579 I582	L507-I511 HydrophobicContact CD1-CD1 3.93Å; L507-I511 HydrophobicContact CD1-CG1 4.14Å; L507-I511 HydrophobicContact CD2-CD1 4.43Å; L507-I511 HydrophobicContact CG-CD1 3.81Å; L507-I511 HydrophobicContact CG-CG1 4.39Å; L507-I511 VanDerWaalsContact O-CG1 3.31Å; L507-I511 WeakPolarHBondContact O-CG1 3.29Å; L507-I511 PolarHBondContact O-N 2.72Å; I511-V514 PolarHBondContact O-N 2.88Å; I511-Q515 WeakPolarHBondContact O-CB 3.12Å; I511-Q515 PolarHBondContact O-N 3.06Å; I511-L549 HydrophobicContact CG1-CD2 3.95Å; I511-V553 HydrophobicContact CD1-CG2 4.04Å; I511-V575 HydrophobicContact CD1-CG1 3.59Å; I511-L579 HydrophobicContact CD1-CD1 4.35Å; I511-L579 HydrophobicContact CD1-CD2 4.03Å; I511-L579 HydrophobicContact CD1-CG 4.02Å; I511-L579 HydrophobicContact CG2-CD2 4.21Å; I511-L579 HydrophobicContact CG2-CG 4.42Å; I511-I582 HydrophobicContact CG2-CD1 3.75Å
512	A	93.4	Very high	91.4	Very high	42 Å²	42	36.6 Å²	36.6	35%	0.347	18%	0.18	S	C	.	.	H	α-helix	trans	-61.9	-42.8	175.7	0	0	0	0	0	112.1	S508 R509 L510 Q515 E516	S508-A512 WeakPolarHBondContact O-CB 3.4Å; S508-A512 PolarHBondContact O-N 3.02Å; R509-A512 PolarHBondContact O-N 3.12Å; L510-A512 VanDerWaalsContact C-N 3.3Å; L510-A512 PolarHBondContact O-N 3.49Å; A512-Q515 WeakPolarHBondContact O-CB 3.44Å; A512-Q515 PolarHBondContact O-N 2.85Å; A512-E516 PolarHBondContact O-N 3.4Å
513	E	92.9	Very high	91.5	Very high	52 Å²	52	39 Å²	39	24%	0.243	20%	0.195	C	C	.	.	H	α-helix	trans	-64.2	-40.1	174.2	-74	-161.2	-169.2	0	0	112.4	W485 K489 H493 R509 L510 E516 D517	W485-E513 HydrophobicContact CH2-CB 4.37Å; K489-E513 WeakPolarHBondContact CD-OE2 3.39Å; K489-E513 WeakPolarHBondContact CE-OE2 3.29Å; K489-E513 IonicContact NZ-OE1 2.73Å; K489-E513 IonicContact NZ-OE2 2.77Å; K489-E513 PolarHBondContact NZ-OE2 2.9Å; H493-E513 IonicContact CD2-OE1 3.94Å; H493-E513 IonicContact CE1-OE1 2.81Å; H493-E513 PolarHBondContact CE1-OE1 2.98Å; H493-E513 IonicContact NE2-OE1 3.81Å; H493-E513 PolarHBondContact NE2-OE1 3.3Å; H493-E513 IonicContact NE2-OE2 2.8Å; R509-E513 PolarHBondContact O-N 3.09Å; R509-E513 VanDerWaalsContact O-N 3.13Å; L510-E513 PolarHBondContact O-N 2.99Å; E513-E516 PolarHBondContact O-N 3.45Å; E513-D517 PolarHBondContact O-N 2.84Å
514	V	94.1	Very high	91.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.7	-41.6	176.1	175.6	0	0	0	0	110.9	W485 F486 L510 I511 E516 D517 I518 F545 L549	W485-V514 HydrophobicContact CZ3-CG2 4.09Å; F486-V514 HydrophobicContact CD2-CG2 3.97Å; F486-V514 HydrophobicContact CE2-CG2 3.96Å; L510-V514 WeakPolarHBondContact O-CG2 3.49Å; L510-V514 PolarHBondContact O-N 3.29Å; I511-V514 PolarHBondContact O-N 2.88Å; V514-E516 VanDerWaalsContact C-N 3.31Å; V514-E516 PolarHBondContact O-N 2.9Å; V514-D517 PolarHBondContact O-N 2.96Å; V514-I518 HydrophobicContact CG1-CD1 3.94Å; V514-I518 HydrophobicContact CG1-CG1 4.38Å; V514-I518 VanDerWaalsContact O-CG1 3.31Å; V514-I518 WeakPolarHBondContact O-CG1 3.15Å; V514-I518 PolarHBondContact O-N 3.34Å; V514-F545 HydrophobicContact CG1-CB 4.02Å; V514-F545 HydrophobicContact CG1-CD1 3.89Å; V514-F545 HydrophobicContact CG1-CD2 3.7Å; V514-F545 HydrophobicContact CG1-CE1 4.21Å; V514-F545 HydrophobicContact CG1-CE2 4.01Å; V514-F545 HydrophobicContact CG1-CG 3.63Å; V514-F545 HydrophobicContact CG1-CZ 4.27Å; V514-F545 HydrophobicContact CG2-CE1 4.41Å; V514-L549 HydrophobicContact CB-CD1 4.47Å; V514-L549 HydrophobicContact CG1-CD1 3.78Å; V514-L549 HydrophobicContact CG1-CG 4.34Å; V514-L549 HydrophobicContact CG2-CD2 4.33Å
515	Q	93.9	Very high	91.8	Very high	60 Å²	60	40 Å²	40	28%	0.28	20%	0.202	S	C	.	.	H	α-helix	trans	-60.2	-43	176.1	-175.5	-175.9	-2.2	0	0	111.3	I511 A512 I518 K519 I582	I511-Q515 WeakPolarHBondContact O-CB 3.12Å; I511-Q515 PolarHBondContact O-N 3.06Å; A512-Q515 WeakPolarHBondContact O-CB 3.44Å; A512-Q515 PolarHBondContact O-N 2.85Å; Q515-I518 PolarHBondContact O-N 3.26Å; Q515-K519 PolarHBondContact O-N 3.19Å; Q515-I582 HydrophobicContact CB-CD1 4.06Å; Q515-I582 HydrophobicContact CB-CG1 3.97Å; Q515-I582 HydrophobicContact CG-CG1 4.01Å
516	E	92.2	Very high	92	Very high	116 Å²	116	39.6 Å²	39.6	54%	0.542	20%	0.196	S	C	.	.	H	α-helix	trans	-64.4	-41.6	175.7	-177	170.9	-164.2	0	0	111.9	A512 E513 V514 K519 H520	A512-E516 PolarHBondContact O-N 3.4Å; E513-E516 PolarHBondContact O-N 3.45Å; V514-E516 VanDerWaalsContact C-N 3.31Å; V514-E516 PolarHBondContact O-N 2.9Å; E516-K519 PolarHBondContact O-N 3.28Å; E516-H520 VanDerWaalsContact CG-CE1 3.4Å; E516-H520 WeakPolarHBondContact CG-CE1 3.43Å; E516-H520 PolarHBondContact O-N 3.42Å; E516-H520 PolarHBondContact O-ND1 2.95Å; E516-H520 IonicContact OE1-CE1 2.6Å
517	D	92.8	Very high	92.1	Very high	15 Å²	15	49.4 Å²	49.4	8%	0.08	23%	0.232	C	C	.	.	H	α-helix	trans	-64	-41.9	175.6	-171.5	72.4	0	0	0	112.3	R431 W485 E513 V514 K519 H520 N521 F545	R431-D517 WeakPolarHBondContact CD-OD1 3.24Å; R431-D517 IonicContact CZ-OD1 3.03Å; R431-D517 IonicContact CZ-OD2 3.74Å; R431-D517 VanDerWaalsContact NE-CG 3.26Å; R431-D517 IonicContact NE-OD1 3.87Å; R431-D517 PolarHBondContact NE-OD1 2.86Å; R431-D517 IonicContact NE-OD2 3.67Å; R431-D517 PolarHBondContact NE-OD2 2.95Å; R431-D517 IonicContact NH2-OD2 2.75Å; R431-D517 PolarHBondContact NH2-OD2 3.24Å; W485-D517 HydrophobicContact CH2-CB 3.96Å; W485-D517 HydrophobicContact CZ2-CB 4.33Å; W485-D517 HydrophobicContact CZ3-CB 4.46Å; E513-D517 PolarHBondContact O-N 2.84Å; V514-D517 PolarHBondContact O-N 2.96Å; D517-K519 VanDerWaalsContact C-N 3.28Å; D517-K519 PolarHBondContact O-N 3Å; D517-H520 PolarHBondContact O-N 3.16Å; D517-N521 WeakPolarHBondContact O-CB 3.02Å; D517-N521 PolarHBondContact O-N 2.62Å; D517-N521 PolarHBondContact O-ND2 2.82Å; D517-N521 PolarHBondContact OD2-ND2 3.32Å; D517-F545 HydrophobicContact CB-CE2 4.28Å; D517-F545 VanDerWaalsContact OD2-CE2 3.23Å; D517-F545 WeakPolarHBondContact OD2-CE2 3.27Å
518	I	92.5	Very high	92	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-59.1	-42.9	175.2	-72.1	171.9	0	0	0	110.3	V514 Q515 N521 K522 F538 Y542 F545 I582	V514-I518 HydrophobicContact CG1-CD1 3.94Å; V514-I518 HydrophobicContact CG1-CG1 4.38Å; V514-I518 VanDerWaalsContact O-CG1 3.31Å; V514-I518 WeakPolarHBondContact O-CG1 3.15Å; V514-I518 PolarHBondContact O-N 3.34Å; Q515-I518 PolarHBondContact O-N 3.26Å; I518-N521 PolarHBondContact O-N 3.42Å; I518-K522 WeakPolarHBondContact O-CB 3.27Å; I518-K522 PolarHBondContact O-N 3.48Å; I518-F538 HydrophobicContact CG2-CD2 4.46Å; I518-F538 HydrophobicContact CG2-CE2 3.73Å; I518-Y542 HydrophobicContact CD1-CD2 4.29Å; I518-Y542 HydrophobicContact CG2-CD2 4.09Å; I518-F545 HydrophobicContact CD1-CB 4.37Å; I518-F545 HydrophobicContact CD1-CD2 4.01Å; I518-F545 HydrophobicContact CG1-CD2 3.68Å; I518-F545 HydrophobicContact CG1-CE2 4.15Å; I518-I582 HydrophobicContact CD1-CD1 4.4Å; I518-I582 HydrophobicContact CD1-CG1 4.24Å; I518-I582 HydrophobicContact CD1-CG2 3.83Å
519	K	91.5	Very high	92.1	Very high	125 Å²	125	48.8 Å²	48.8	54%	0.543	23%	0.228	S	C	.	.	H	α-helix	trans	-63.9	-46.6	177.1	-173.6	-178.4	177.4	-173.5	0	112.1	Q515 E516 D517 N521 K522 D523	Q515-K519 PolarHBondContact O-N 3.19Å; E516-K519 PolarHBondContact O-N 3.28Å; D517-K519 VanDerWaalsContact C-N 3.28Å; D517-K519 PolarHBondContact O-N 3Å; K519-N521 VanDerWaalsContact C-N 3.27Å; K519-N521 PolarHBondContact O-N 2.93Å; K519-K522 WeakPolarHBondContact O-CB 3.32Å; K519-K522 PolarHBondContact O-N 2.79Å; K519-D523 WeakPolarHBondContact CG-OD2 3.47Å; K519-D523 WeakPolarHBondContact O-CB 3.49Å; K519-D523 PolarHBondContact O-N 3.35Å
520	H	91.5	Very high	92	Very high	57 Å²	57	47.2 Å²	47.2	26%	0.264	23%	0.229	S	C	.	.	H	α-helix	trans	-60.4	-39.2	175.3	-73.7	107.4	0	0	0	112.2	E516 D517 V524 W525	E516-H520 VanDerWaalsContact CG-CE1 3.4Å; E516-H520 WeakPolarHBondContact CG-CE1 3.43Å; E516-H520 PolarHBondContact O-N 3.42Å; E516-H520 PolarHBondContact O-ND1 2.95Å; E516-H520 IonicContact OE1-CE1 2.6Å; D517-H520 PolarHBondContact O-N 3.16Å; H520-V524 WeakPolarHBondContact O-CB 3.27Å; H520-V524 PolarHBondContact O-N 2.79Å; H520-W525 PolarHBondContact O-N 3Å; H520-W525 VanDerWaalsContact O-N 3.16Å
521	N	91.2	Very high	91.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.253	C	S	.	.	I	π-helix	trans	-63.4	-43.2	175.7	-88	-77.9	0	0	0	112.4	Y430 D517 I518 K519 N526 V537	Y430-N521 PolarHBondContact OH-ND2 3.28Å; Y430-N521 VanDerWaalsContact OH-ND2 3.13Å; Y430-N521 PolarHBondContact OH-OD1 3.04Å; D517-N521 WeakPolarHBondContact O-CB 3.02Å; D517-N521 PolarHBondContact O-N 2.62Å; D517-N521 PolarHBondContact O-ND2 2.82Å; D517-N521 PolarHBondContact OD2-ND2 3.32Å; I518-N521 PolarHBondContact O-N 3.42Å; K519-N521 VanDerWaalsContact C-N 3.27Å; K519-N521 PolarHBondContact O-N 2.93Å; N521-N526 VanDerWaalsContact O-CB 3.24Å; N521-N526 WeakPolarHBondContact O-CB 3.38Å; N521-N526 PolarHBondContact O-N 3.35Å; N521-V537 VanDerWaalsContact OD1-CG1 3.29Å; N521-V537 WeakPolarHBondContact OD1-CG1 3.46Å
522	K	89.6	Confident	91.5	Very high	52 Å²	52	51.4 Å²	51.4	23%	0.226	26%	0.259	C	S	.	.	I	π-helix	trans	-63.3	-51.7	176.6	-174.4	-176.2	177.1	-178.4	0	112.5	I518 K519 F538 D585 F588	I518-K522 WeakPolarHBondContact O-CB 3.27Å; I518-K522 PolarHBondContact O-N 3.48Å; K519-K522 WeakPolarHBondContact O-CB 3.32Å; K519-K522 PolarHBondContact O-N 2.79Å; K522-F538 HydrophobicContact CB-CD2 3.54Å; K522-F538 HydrophobicContact CB-CE2 3.77Å; K522-F538 HydrophobicContact CB-CG 4.39Å; K522-F538 HydrophobicContact CD-CE2 4.2Å; K522-F538 HydrophobicContact CG-CD2 4.08Å; K522-F538 HydrophobicContact CG-CE2 4.06Å; K522-D585 IonicContact NZ-OD1 3.25Å; K522-D585 PolarHBondContact NZ-OD1 3.19Å; K522-F588 VanDerWaalsContact CE-CD2 3.5Å; K522-F588 VanDerWaalsContact NZ-CD2 3.34Å; K522-F588 VanDerWaalsContact NZ-CZ 3.27Å
523	D	89.8	Confident	91.3	Very high	95 Å²	95	50 Å²	50	51%	0.508	25%	0.247	S	C	.	.	I	π-helix	trans	-86.6	-32.8	-166	-64.5	-18.6	0	0	0	112.7	K519	K519-D523 WeakPolarHBondContact CG-OD2 3.47Å; K519-D523 WeakPolarHBondContact O-CB 3.49Å; K519-D523 PolarHBondContact O-N 3.35Å
524	V	90.4	Very high	91.1	Very high	46 Å²	46	55.4 Å²	55.4	28%	0.279	27%	0.272	S	S	.	.	I	π-helix	trans	-114.5	-61.1	-172.3	-175.9	0	0	0	0	111.6	P436 T441 H520	P436-V524 HydrophobicContact CB-CG1 4.42Å; T441-V524 HydrophobicContact CG2-CG1 3.69Å; H520-V524 WeakPolarHBondContact O-CB 3.27Å; H520-V524 PolarHBondContact O-N 2.79Å
525	W	91.2	Very high	90.9	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.015	27%	0.272	C	S	.	.	I	π-helix	trans	-73.1	-34.9	-167	-61.3	117.7	0	0	0	113.7	Y430 F434 P436 T441 L444 H520 R527 V528 F529	Y430-W525 HydrophobicContact CD2-CD2 4.07Å; Y430-W525 HydrophobicContact CD2-CE3 4.39Å; Y430-W525 HydrophobicContact CD2-CG 4.42Å; Y430-W525 HydrophobicContact CD2-CZ2 4.4Å; Y430-W525 HydrophobicContact CE2-CB 4.41Å; Y430-W525 AromaticContact CE2-CD1 3.69Å; Y430-W525 AromaticContact CE2-CD2 3.86Å; Y430-W525 HydrophobicContact CE2-CD2 3.86Å; Y430-W525 AromaticContact CE2-CE2 3.9Å; Y430-W525 AromaticContact CE2-CG 3.75Å; Y430-W525 HydrophobicContact CE2-CG 3.75Å; Y430-W525 AromaticContact CE2-NE1 3.76Å; F434-W525 HydrophobicContact CB-CH2 3.88Å; F434-W525 WeakPolarHBondContact O-CH2 3.44Å; F434-W525 WeakPolarHBondContact O-CZ2 3.4Å; P436-W525 HydrophobicContact CB-CZ2 3.98Å; T441-W525 HydrophobicContact CG2-CE3 4.48Å; T441-W525 HydrophobicContact CG2-CH2 3.93Å; T441-W525 HydrophobicContact CG2-CZ3 3.82Å; L444-W525 HydrophobicContact CB-CZ3 4.35Å; L444-W525 HydrophobicContact CD2-CE3 3.71Å; L444-W525 HydrophobicContact CD2-CH2 4.31Å; L444-W525 HydrophobicContact CD2-CZ3 3.44Å; L444-W525 VanDerWaalsContact CD2-CZ3 3.44Å; H520-W525 PolarHBondContact O-N 3Å; H520-W525 VanDerWaalsContact O-N 3.16Å; W525-R527 PolarHBondContact O-N 3.02Å; W525-V528 HydrophobicContact CE3-CB 4.48Å; W525-V528 HydrophobicContact CE3-CG2 4.39Å; W525-V528 WeakPolarHBondContact O-CB 3.32Å; W525-V528 PolarHBondContact O-N 3.35Å; W525-F529 HydrophobicContact CB-CD2 4.29Å; W525-F529 HydrophobicContact CB-CE2 4.38Å; W525-F529 WeakPolarHBondContact O-CD2 3.48Å; W525-F529 PolarHBondContact O-N 3.37Å
526	N	91.8	Very high	90.7	Very high	34 Å²	34	53.7 Å²	53.7	18%	0.182	27%	0.265	C	S	.	.	H	α-helix	trans	-56.1	-41.7	-179.4	-164	33.7	0	0	0	111.8	N521 V528 V530 D536 V537 F538	N521-N526 VanDerWaalsContact O-CB 3.24Å; N521-N526 WeakPolarHBondContact O-CB 3.38Å; N521-N526 PolarHBondContact O-N 3.35Å; N526-V528 VanDerWaalsContact C-N 3.34Å; N526-V528 PolarHBondContact O-N 3.48Å; N526-V530 VanDerWaalsContact O-CB 3.24Å; N526-V530 WeakPolarHBondContact O-CB 3.38Å; N526-V530 WeakPolarHBondContact O-CG2 3.49Å; N526-V530 PolarHBondContact O-N 3.37Å; N526-V530 WeakPolarHBondContact OD1-CG2 3.22Å; N526-D536 WeakPolarHBondContact OD1-CA 3.23Å; N526-D536 PolarHBondContact OD1-OD1 3.04Å; N526-D536 VanDerWaalsContact OD1-OD1 3.09Å; N526-V537 PolarHBondContact OD1-N 3.48Å; N526-F538 HydrophobicContact CB-CB 4.25Å
527	R	90.8	Very high	90.7	Very high	209 Å²	209	48.2 Å²	48.2	79%	0.789	24%	0.239	S	C	*	.	H	α-helix	trans	-61.6	-40.6	175.8	-175.3	179.8	177.1	-173.2	-0.4	112.4	W525 S531	W525-R527 PolarHBondContact O-N 3.02Å; R527-S531 WeakPolarHBondContact O-CB 3.2Å; R527-S531 PolarHBondContact O-N 2.79Å; R527-S531 VanDerWaalsContact O-N 3.1Å; R527-S531 PolarHBondContact O-OG 3.1Å
528	V	90.9	Very high	90.7	Very high	16 Å²	16	47.7 Å²	47.7	10%	0.097	24%	0.236	C	C	.	.	H	α-helix	trans	-66.8	-47.9	-178.3	175.8	0	0	0	0	111	L444 H445 L448 W525 N526 S531 A532	L444-V528 HydrophobicContact CG-CG1 4.47Å; H445-V528 HydrophobicContact CB-CG1 3.96Å; L448-V528 HydrophobicContact CD1-CG1 4.31Å; W525-V528 HydrophobicContact CE3-CB 4.48Å; W525-V528 HydrophobicContact CE3-CG2 4.39Å; W525-V528 WeakPolarHBondContact O-CB 3.32Å; W525-V528 PolarHBondContact O-N 3.35Å; N526-V528 VanDerWaalsContact C-N 3.34Å; N526-V528 PolarHBondContact O-N 3.48Å; V528-S531 PolarHBondContact O-OG 2.79Å; V528-A532 WeakPolarHBondContact O-CB 3.27Å; V528-A532 PolarHBondContact O-N 3.01Å; V528-A532 VanDerWaalsContact O-N 3.16Å
529	F	92.7	Very high	90.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-74.7	-40.9	-178	-79.2	-93.1	0	0	0	112.9	V427 Y430 L444 L448 V474 I478 W525 S531 A532 V533 Q534 V537	V427-F529 HydrophobicContact CG1-CE1 3.88Å; V427-F529 HydrophobicContact CG1-CZ 4.23Å; Y430-F529 HydrophobicContact CD1-CZ 4.46Å; Y430-F529 HydrophobicContact CD2-CE2 4.37Å; Y430-F529 HydrophobicContact CG-CZ 4.34Å; L444-F529 HydrophobicContact CD2-CE2 3.76Å; L444-F529 HydrophobicContact CD2-CZ 3.92Å; L448-F529 HydrophobicContact CD1-CD1 3.64Å; L448-F529 HydrophobicContact CD1-CE1 3.83Å; L448-F529 HydrophobicContact CD1-CG 4.02Å; L448-F529 HydrophobicContact CD1-CZ 4.37Å; L448-F529 HydrophobicContact CD2-CD1 4.25Å; L448-F529 HydrophobicContact CD2-CE1 4Å; V474-F529 HydrophobicContact CG1-CD1 4.2Å; V474-F529 HydrophobicContact CG1-CE1 4.15Å; I478-F529 HydrophobicContact CD1-CD1 4.07Å; I478-F529 HydrophobicContact CD1-CE1 3.78Å; I478-F529 HydrophobicContact CD1-CZ 4.31Å; I478-F529 HydrophobicContact CG1-CE1 4.41Å; W525-F529 HydrophobicContact CB-CD2 4.29Å; W525-F529 HydrophobicContact CB-CE2 4.38Å; W525-F529 WeakPolarHBondContact O-CD2 3.48Å; W525-F529 PolarHBondContact O-N 3.37Å; F529-S531 VanDerWaalsContact C-N 3.32Å; F529-S531 PolarHBondContact O-N 2.72Å; F529-A532 PolarHBondContact O-N 3.37Å; F529-V533 HydrophobicContact CB-CG2 4.34Å; F529-V533 HydrophobicContact CD1-CG2 4.03Å; F529-V533 WeakPolarHBondContact O-CG2 3.4Å; F529-V533 PolarHBondContact O-N 3.08Å; F529-Q534 PolarHBondContact O-N 3.49Å; F529-Q534 VanDerWaalsContact O-N 3.14Å; F529-V537 HydrophobicContact CB-CB 4.32Å; F529-V537 HydrophobicContact CB-CG2 3.28Å; F529-V537 HydrophobicContact CD1-CG2 3.63Å; F529-V537 HydrophobicContact CD2-CB 4.25Å; F529-V537 HydrophobicContact CD2-CG1 4.44Å; F529-V537 HydrophobicContact CD2-CG2 3.56Å; F529-V537 HydrophobicContact CE1-CG2 4.27Å; F529-V537 HydrophobicContact CE2-CG2 4.21Å; F529-V537 HydrophobicContact CG-CB 4.32Å; F529-V537 HydrophobicContact CG-CG2 3.22Å
530	V	90.7	Very high	90.6	Very high	62 Å²	62	43 Å²	43	38%	0.376	22%	0.218	S	C	.	.	H	α-helix	trans	-61.7	-42.5	175.5	171.9	0	0	0	0	110.6	N526 A532 Q534 V535	N526-V530 VanDerWaalsContact O-CB 3.24Å; N526-V530 WeakPolarHBondContact O-CB 3.38Å; N526-V530 WeakPolarHBondContact O-CG2 3.49Å; N526-V530 PolarHBondContact O-N 3.37Å; N526-V530 WeakPolarHBondContact OD1-CG2 3.22Å; V530-A532 PolarHBondContact O-N 3.29Å; V530-Q534 WeakPolarHBondContact O-CA 3.31Å; V530-Q534 PolarHBondContact O-N 3Å; V530-V535 WeakPolarHBondContact CG2-O 3.42Å; V530-V535 PolarHBondContact N-O 3.11Å
531	S	90.5	Very high	90.7	Very high	76 Å²	76	40.3 Å²	40.3	53%	0.531	21%	0.205	S	C	.	.	H	α-helix	trans	-68.9	-31.2	179.1	62.3	0	0	0	0	114	H445 R527 V528 F529	H445-S531 PolarHBondContact CE1-OG 3.32Å; H445-S531 VanDerWaalsContact CE1-OG 3.29Å; H445-S531 PolarHBondContact ND1-OG 2.98Å; R527-S531 WeakPolarHBondContact O-CB 3.2Å; R527-S531 PolarHBondContact O-N 2.79Å; R527-S531 VanDerWaalsContact O-N 3.1Å; R527-S531 PolarHBondContact O-OG 3.1Å; V528-S531 PolarHBondContact O-OG 2.79Å; F529-S531 VanDerWaalsContact C-N 3.32Å; F529-S531 PolarHBondContact O-N 2.72Å
532	A	87.6	Confident	90.8	Very high	16 Å²	16	40.5 Å²	40.5	13%	0.132	21%	0.206	C	C	.	.	H	α-helix	trans	-91.2	-50.3	-177.5	0	0	0	0	0	113.6	L448 R449 V528 F529 V530	L448-A532 HydrophobicContact CB-CB 3.57Å; L448-A532 HydrophobicContact CD1-CB 3.97Å; L448-A532 HydrophobicContact CG-CB 4.44Å; R449-A532 HydrophobicContact CG-CB 4.4Å; V528-A532 WeakPolarHBondContact O-CB 3.27Å; V528-A532 PolarHBondContact O-N 3.01Å; V528-A532 VanDerWaalsContact O-N 3.16Å; F529-A532 PolarHBondContact O-N 3.37Å; V530-A532 PolarHBondContact O-N 3.29Å
533	V	89.3	Confident	90.9	Very high	14 Å²	14	41.5 Å²	41.5	9%	0.085	21%	0.212	C	C	.	.	H	α-helix	trans	-124.1	1.6	-169.8	-70.5	0	0	0	0	113.9	L448 V452 L470 V474 F529 V535	L448-V533 HydrophobicContact CB-CG1 4.22Å; L448-V533 HydrophobicContact CD2-CG1 4.2Å; V452-V533 HydrophobicContact CG2-CG1 3.54Å; L470-V533 HydrophobicContact CD2-CG1 4.24Å; V474-V533 HydrophobicContact CG1-CG2 4.26Å; F529-V533 HydrophobicContact CB-CG2 4.34Å; F529-V533 HydrophobicContact CD1-CG2 4.03Å; F529-V533 WeakPolarHBondContact O-CG2 3.4Å; F529-V533 PolarHBondContact O-N 3.08Å; V533-V535 HydrophobicContact CB-CG2 4.34Å; V533-V535 HydrophobicContact CG2-CB 4.11Å; V533-V535 HydrophobicContact CG2-CG2 3.86Å; V533-V535 PolarHBondContact O-N 3.24Å
534	Q	88.8	Confident	91	Very high	164 Å²	164	39 Å²	39	77%	0.766	20%	0.196	S	C	*	.			trans	61.6	24.7	-179.6	-55.3	179.6	5	0	0	114.9	F529 V530	F529-Q534 PolarHBondContact O-N 3.49Å; F529-Q534 VanDerWaalsContact O-N 3.14Å; V530-Q534 WeakPolarHBondContact O-CA 3.31Å; V530-Q534 PolarHBondContact O-N 3Å
535	V	89.1	Confident	91.2	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.012	18%	0.183	C	C	.	.			trans	-95.6	126.6	175.4	179.4	0	0	0	0	109.7	H471 V474 I478 V530 V533 V537 V540	H471-V535 WeakPolarHBondContact CD2-CG2 3.48Å; V474-V535 HydrophobicContact CB-CG2 4.5Å; V474-V535 HydrophobicContact CG1-CG2 4.2Å; I478-V535 HydrophobicContact CD1-CG1 4.38Å; V530-V535 WeakPolarHBondContact CG2-O 3.42Å; V530-V535 PolarHBondContact N-O 3.11Å; V533-V535 HydrophobicContact CB-CG2 4.34Å; V533-V535 HydrophobicContact CG2-CB 4.11Å; V533-V535 HydrophobicContact CG2-CG2 3.86Å; V533-V535 PolarHBondContact O-N 3.24Å; V535-V537 HydrophobicContact CB-CG2 4.48Å; V535-V537 HydrophobicContact CG1-CG2 4.05Å; V535-V537 PolarHBondContact O-N 3.45Å; V535-V537 VanDerWaalsContact O-N 3.16Å; V535-V540 HydrophobicContact CG1-CG2 4.43Å
536	D	90.2	Very high	91.2	Very high	23 Å²	23	36.9 Å²	36.9	12%	0.123	18%	0.184	C	C	.	.			trans	-79.9	88.8	170.5	-179.9	-5.6	0	0	0	110.2	N526 F538 T539 V540	N526-D536 WeakPolarHBondContact OD1-CA 3.23Å; N526-D536 PolarHBondContact OD1-OD1 3.04Å; N526-D536 VanDerWaalsContact OD1-OD1 3.09Å; D536-F538 VanDerWaalsContact C-N 3.29Å; D536-F538 PolarHBondContact O-N 2.99Å; D536-F538 PolarHBondContact OD1-N 3.39Å; D536-T539 VanDerWaalsContact CG-OG1 3.23Å; D536-T539 PolarHBondContact O-N 3.49Å; D536-T539 PolarHBondContact OD1-N 2.83Å; D536-T539 PolarHBondContact OD1-OG1 3.34Å; D536-T539 WeakPolarHBondContact OD2-CB 3.34Å; D536-T539 PolarHBondContact OD2-OG1 2.73Å; D536-V540 WeakPolarHBondContact O-CG2 3.32Å; D536-V540 PolarHBondContact O-N 3.35Å
537	V	91.9	Very high	91.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.7	-32	-175.8	176.5	0	0	0	0	112.1	I478 N521 N526 F529 V535 T539 V540 V541	I478-V537 HydrophobicContact CD1-CB 4.5Å; I478-V537 HydrophobicContact CD1-CG1 4.28Å; I478-V537 HydrophobicContact CD1-CG2 3.54Å; I478-V537 HydrophobicContact CG2-CG1 4.21Å; N521-V537 VanDerWaalsContact OD1-CG1 3.29Å; N521-V537 WeakPolarHBondContact OD1-CG1 3.46Å; N526-V537 PolarHBondContact OD1-N 3.48Å; F529-V537 HydrophobicContact CB-CB 4.32Å; F529-V537 HydrophobicContact CB-CG2 3.28Å; F529-V537 HydrophobicContact CD1-CG2 3.63Å; F529-V537 HydrophobicContact CD2-CB 4.25Å; F529-V537 HydrophobicContact CD2-CG1 4.44Å; F529-V537 HydrophobicContact CD2-CG2 3.56Å; F529-V537 HydrophobicContact CE1-CG2 4.27Å; F529-V537 HydrophobicContact CE2-CG2 4.21Å; F529-V537 HydrophobicContact CG-CB 4.32Å; F529-V537 HydrophobicContact CG-CG2 3.22Å; V535-V537 HydrophobicContact CB-CG2 4.48Å; V535-V537 HydrophobicContact CG1-CG2 4.05Å; V535-V537 PolarHBondContact O-N 3.45Å; V535-V537 VanDerWaalsContact O-N 3.16Å; V537-T539 PolarHBondContact O-N 3.28Å; V537-V540 PolarHBondContact O-N 2.93Å; V537-V541 HydrophobicContact CG1-CG2 3.79Å; V537-V541 VanDerWaalsContact O-CB 3.32Å; V537-V541 WeakPolarHBondContact O-CB 3.21Å; V537-V541 VanDerWaalsContact O-CG2 3.27Å; V537-V541 WeakPolarHBondContact O-CG2 3.37Å; V537-V541 PolarHBondContact O-N 3.38Å
538	F	92.7	Very high	91.4	Very high	5 Å²	5	27.5 Å²	27.5	2%	0.022	15%	0.151	C	C	.	.	H	α-helix	trans	-59.7	-48.8	175.7	170.9	-98.1	0	0	0	110.7	I518 K522 N526 D536 V540 Y542 D585 F588 L589	I518-F538 HydrophobicContact CG2-CD2 4.46Å; I518-F538 HydrophobicContact CG2-CE2 3.73Å; K522-F538 HydrophobicContact CB-CD2 3.54Å; K522-F538 HydrophobicContact CB-CE2 3.77Å; K522-F538 HydrophobicContact CB-CG 4.39Å; K522-F538 HydrophobicContact CD-CE2 4.2Å; K522-F538 HydrophobicContact CG-CD2 4.08Å; K522-F538 HydrophobicContact CG-CE2 4.06Å; N526-F538 HydrophobicContact CB-CB 4.25Å; D536-F538 VanDerWaalsContact C-N 3.29Å; D536-F538 PolarHBondContact O-N 2.99Å; D536-F538 PolarHBondContact OD1-N 3.39Å; F538-V540 PolarHBondContact O-N 3.29Å; F538-Y542 HydrophobicContact CE2-CD2 4.33Å; F538-Y542 HydrophobicContact CZ-CD2 4Å; F538-Y542 HydrophobicContact CZ-CG 4.5Å; F538-Y542 WeakPolarHBondContact O-CB 3.44Å; F538-Y542 PolarHBondContact O-N 2.93Å; F538-D585 HydrophobicContact CZ-CB 4.31Å; F538-F588 HydrophobicContact CD1-CB 4.41Å; F538-F588 HydrophobicContact CE1-CB 3.63Å; F538-F588 HydrophobicContact CZ-CB 3.98Å; F538-L589 HydrophobicContact CD1-CD2 4.33Å; F538-L589 HydrophobicContact CE1-CD2 3.9Å; F538-L589 HydrophobicContact CE1-CG 4.38Å
539	T	91.1	Very high	91.5	Very high	15 Å²	15	26.7 Å²	26.7	9%	0.092	15%	0.147	C	C	.	.	H	α-helix	trans	-61	-44	178.9	-68.9	0	0	0	0	111.9	D536 V537 Q543 L589	D536-T539 VanDerWaalsContact CG-OG1 3.23Å; D536-T539 PolarHBondContact O-N 3.49Å; D536-T539 PolarHBondContact OD1-N 2.83Å; D536-T539 PolarHBondContact OD1-OG1 3.34Å; D536-T539 WeakPolarHBondContact OD2-CB 3.34Å; D536-T539 PolarHBondContact OD2-OG1 2.73Å; V537-T539 PolarHBondContact O-N 3.28Å; T539-Q543 HydrophobicContact CG2-CG 4.49Å; T539-Q543 WeakPolarHBondContact O-CB 3.48Å; T539-Q543 VanDerWaalsContact O-CG 3.26Å; T539-Q543 WeakPolarHBondContact O-CG 3.49Å; T539-Q543 PolarHBondContact O-N 3.07Å; T539-L589 HydrophobicContact CG2-CD2 4.17Å
540	V	91.3	Very high	91.4	Very high	12 Å²	12	26.9 Å²	26.9	7%	0.073	15%	0.148	C	C	.	.	H	α-helix	trans	-64	-50.3	-179.5	177.5	0	0	0	0	111.6	H475 I478 V479 V535 D536 V537 F538 K544	H475-V540 WeakPolarHBondContact CD2-CG2 3.39Å; I478-V540 HydrophobicContact CB-CG1 4.46Å; I478-V540 HydrophobicContact CG2-CG1 3.93Å; V479-V540 HydrophobicContact CG2-CG1 3.52Å; V535-V540 HydrophobicContact CG1-CG2 4.43Å; D536-V540 WeakPolarHBondContact O-CG2 3.32Å; D536-V540 PolarHBondContact O-N 3.35Å; V537-V540 PolarHBondContact O-N 2.93Å; F538-V540 PolarHBondContact O-N 3.29Å; V540-K544 PolarHBondContact O-N 3.24Å; V540-K544 VanDerWaalsContact O-N 3.17Å
541	V	92.9	Very high	91.4	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-64.9	-45.2	-178.9	170.3	0	0	0	0	110.8	R431 I478 T482 V537 K544 F545	R431-V541 VanDerWaalsContact NH2-CG1 3.33Å; I478-V541 HydrophobicContact CG2-CG2 3.76Å; T482-V541 HydrophobicContact CG2-CG1 4.23Å; V537-V541 HydrophobicContact CG1-CG2 3.79Å; V537-V541 VanDerWaalsContact O-CB 3.32Å; V537-V541 WeakPolarHBondContact O-CB 3.21Å; V537-V541 VanDerWaalsContact O-CG2 3.27Å; V537-V541 WeakPolarHBondContact O-CG2 3.37Å; V537-V541 PolarHBondContact O-N 3.38Å; V541-K544 PolarHBondContact O-N 3.38Å; V541-F545 HydrophobicContact CG1-CD2 3.46Å; V541-F545 VanDerWaalsContact CG1-CD2 3.46Å; V541-F545 HydrophobicContact CG1-CE2 3.29Å; V541-F545 HydrophobicContact CG1-CZ 4.26Å; V541-F545 WeakPolarHBondContact O-CD2 3.49Å; V541-F545 PolarHBondContact O-N 2.97Å
542	Y	93.1	Very high	91.5	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.016	14%	0.139	C	C	.	.	H	α-helix	trans	-60.7	-48.2	179.5	-175.4	-77.6	0	0	0	111.7	I518 F538 K544 F545 D546 I582 D585 K586 L589 L595	I518-Y542 HydrophobicContact CD1-CD2 4.29Å; I518-Y542 HydrophobicContact CG2-CD2 4.09Å; F538-Y542 HydrophobicContact CE2-CD2 4.33Å; F538-Y542 HydrophobicContact CZ-CD2 4Å; F538-Y542 HydrophobicContact CZ-CG 4.5Å; F538-Y542 WeakPolarHBondContact O-CB 3.44Å; F538-Y542 PolarHBondContact O-N 2.93Å; Y542-K544 VanDerWaalsContact C-N 3.3Å; Y542-K544 PolarHBondContact O-N 3.47Å; Y542-F545 PolarHBondContact O-N 3.44Å; Y542-D546 HydrophobicContact CE1-CB 4.36Å; Y542-D546 WeakPolarHBondContact O-CB 3.2Å; Y542-D546 PolarHBondContact O-N 3.37Å; Y542-I582 HydrophobicContact CE2-CG2 3.89Å; Y542-I582 WeakPolarHBondContact CE2-O 3.46Å; Y542-I582 PolarHBondContact OH-O 3Å; Y542-D585 HydrophobicContact CE2-CB 4.16Å; Y542-K586 HydrophobicContact CE1-CB 4.44Å; Y542-L589 HydrophobicContact CD1-CD1 3.83Å; Y542-L589 HydrophobicContact CD1-CD2 3.87Å; Y542-L589 HydrophobicContact CD1-CG 4.29Å; Y542-L589 HydrophobicContact CE1-CD1 3.86Å; Y542-L589 HydrophobicContact CG-CD2 4.03Å; Y542-L595 HydrophobicContact CD1-CD2 4.42Å; Y542-L595 HydrophobicContact CE1-CD1 4.03Å; Y542-L595 HydrophobicContact CE1-CD2 4.08Å
543	Q	91.3	Very high	91.6	Very high	74 Å²	74	27.4 Å²	27.4	35%	0.346	13%	0.133	S	C	.	.	H	α-helix	trans	-61.9	-38.7	179.7	-74.7	177.5	-0.3	0	0	112.2	T539 S547	T539-Q543 HydrophobicContact CG2-CG 4.49Å; T539-Q543 WeakPolarHBondContact O-CB 3.48Å; T539-Q543 VanDerWaalsContact O-CG 3.26Å; T539-Q543 WeakPolarHBondContact O-CG 3.49Å; T539-Q543 PolarHBondContact O-N 3.07Å; Q543-S547 PolarHBondContact O-N 2.9Å
544	K	92.7	Very high	91.7	Very high	41 Å²	41	31.5 Å²	31.5	18%	0.178	15%	0.15	C	C	.	.	H	α-helix	trans	-68	-47.4	177	-171.7	60.3	169.9	-175	0	111.1	V479 T482 E483 V540 V541 Y542 D546 S547 L548	V479-K544 HydrophobicContact CG1-CD 4.09Å; V479-K544 HydrophobicContact CG1-CG 4.5Å; T482-K544 HydrophobicContact CG2-CB 4.37Å; T482-K544 HydrophobicContact CG2-CG 4.26Å; E483-K544 VanDerWaalsContact CD-NZ 3.28Å; E483-K544 IonicContact OE1-NZ 2.77Å; E483-K544 VanDerWaalsContact OE2-CE 3.27Å; E483-K544 WeakPolarHBondContact OE2-CE 3.3Å; E483-K544 IonicContact OE2-NZ 3.02Å; E483-K544 PolarHBondContact OE2-NZ 2.95Å; V540-K544 PolarHBondContact O-N 3.24Å; V540-K544 VanDerWaalsContact O-N 3.17Å; V541-K544 PolarHBondContact O-N 3.38Å; Y542-K544 VanDerWaalsContact C-N 3.3Å; Y542-K544 PolarHBondContact O-N 3.47Å; K544-D546 PolarHBondContact O-N 3.45Å; K544-S547 PolarHBondContact O-N 3.11Å; K544-S547 PolarHBondContact O-OG 3.22Å; K544-L548 HydrophobicContact CD-CD1 4.42Å; K544-L548 HydrophobicContact CG-CD1 4.06Å; K544-L548 WeakPolarHBondContact O-CG 3.19Å; K544-L548 PolarHBondContact O-N 2.84Å; K544-L548 VanDerWaalsContact O-N 3.1Å
545	F	93.9	Very high	91.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.3	-38.2	176.6	-77.1	-40.1	0	0	0	113.3	T482 W485 F486 V514 D517 I518 V541 Y542 S547 L548 L549	T482-F545 HydrophobicContact CG2-CD1 3.92Å; T482-F545 HydrophobicContact CG2-CD2 4.37Å; T482-F545 HydrophobicContact CG2-CE1 3.52Å; T482-F545 HydrophobicContact CG2-CE2 4.05Å; T482-F545 HydrophobicContact CG2-CG 4.31Å; T482-F545 HydrophobicContact CG2-CZ 3.61Å; W485-F545 AromaticContact CE3-CE1 3.91Å; W485-F545 HydrophobicContact CE3-CE1 3.91Å; W485-F545 AromaticContact CE3-CZ 3.73Å; W485-F545 HydrophobicContact CE3-CZ 3.73Å; W485-F545 AromaticContact CZ3-CE1 3.94Å; W485-F545 HydrophobicContact CZ3-CE1 3.94Å; W485-F545 AromaticContact CZ3-CZ 3.65Å; W485-F545 HydrophobicContact CZ3-CZ 3.65Å; F486-F545 HydrophobicContact CB-CE1 4.14Å; F486-F545 AromaticContact CD2-CD1 3.99Å; F486-F545 HydrophobicContact CD2-CD1 3.99Å; F486-F545 AromaticContact CD2-CE1 4Å; F486-F545 HydrophobicContact CD2-CE1 4Å; V514-F545 HydrophobicContact CG1-CB 4.02Å; V514-F545 HydrophobicContact CG1-CD1 3.89Å; V514-F545 HydrophobicContact CG1-CD2 3.7Å; V514-F545 HydrophobicContact CG1-CE1 4.21Å; V514-F545 HydrophobicContact CG1-CE2 4.01Å; V514-F545 HydrophobicContact CG1-CG 3.63Å; V514-F545 HydrophobicContact CG1-CZ 4.27Å; V514-F545 HydrophobicContact CG2-CE1 4.41Å; D517-F545 HydrophobicContact CB-CE2 4.28Å; D517-F545 VanDerWaalsContact OD2-CE2 3.23Å; D517-F545 WeakPolarHBondContact OD2-CE2 3.27Å; I518-F545 HydrophobicContact CD1-CB 4.37Å; I518-F545 HydrophobicContact CD1-CD2 4.01Å; I518-F545 HydrophobicContact CG1-CD2 3.68Å; I518-F545 HydrophobicContact CG1-CE2 4.15Å; V541-F545 HydrophobicContact CG1-CD2 3.46Å; V541-F545 VanDerWaalsContact CG1-CD2 3.46Å; V541-F545 HydrophobicContact CG1-CE2 3.29Å; V541-F545 HydrophobicContact CG1-CZ 4.26Å; V541-F545 WeakPolarHBondContact O-CD2 3.49Å; V541-F545 PolarHBondContact O-N 2.97Å; Y542-F545 PolarHBondContact O-N 3.44Å; F545-S547 VanDerWaalsContact C-N 3.29Å; F545-S547 PolarHBondContact O-N 3.18Å; F545-L548 PolarHBondContact O-N 3.39Å; F545-L549 WeakPolarHBondContact O-CB 3.41Å; F545-L549 WeakPolarHBondContact O-CG 3.34Å; F545-L549 PolarHBondContact O-N 2.75Å
546	D	92.7	Very high	91.6	Very high	7 Å²	7	26.6 Å²	26.6	4%	0.037	14%	0.136	C	C	.	.	H	α-helix	trans	-53.2	-48.3	174.4	173.3	89.1	0	0	0	111	Y542 K544 A550 L595 Q596 L597	Y542-D546 HydrophobicContact CE1-CB 4.36Å; Y542-D546 WeakPolarHBondContact O-CB 3.2Å; Y542-D546 PolarHBondContact O-N 3.37Å; K544-D546 PolarHBondContact O-N 3.45Å; D546-A550 WeakPolarHBondContact O-CB 3.21Å; D546-A550 PolarHBondContact O-N 3.19Å; D546-L595 HydrophobicContact CB-CD2 4.33Å; D546-L595 WeakPolarHBondContact OD2-CA 3.35Å; D546-Q596 PolarHBondContact OD2-N 3.2Å; D546-L597 HydrophobicContact CB-CD1 4.4Å; D546-L597 WeakPolarHBondContact OD1-CB 3.19Å; D546-L597 WeakPolarHBondContact OD1-CG 3.5Å; D546-L597 PolarHBondContact OD1-N 3Å; D546-L597 VanDerWaalsContact OD1-N 3.11Å
547	S	91.7	Very high	91.4	Very high	26 Å²	26	26.5 Å²	26.5	18%	0.182	14%	0.136	C	C	.	.	H	α-helix	trans	-68.6	-36.1	178.4	76.6	0	0	0	0	114.2	Q543 K544 F545 K551	Q543-S547 PolarHBondContact O-N 2.9Å; K544-S547 PolarHBondContact O-N 3.11Å; K544-S547 PolarHBondContact O-OG 3.22Å; F545-S547 VanDerWaalsContact C-N 3.29Å; F545-S547 PolarHBondContact O-N 3.18Å; S547-K551 VanDerWaalsContact O-CG 3.3Å; S547-K551 WeakPolarHBondContact O-CG 3.36Å; S547-K551 PolarHBondContact O-N 3.38Å
548	L	93.5	Very high	91.2	Very high	19 Å²	19	30.1 Å²	30.1	10%	0.099	16%	0.161	C	C	.	.	H	α-helix	trans	-75.3	-44.8	-178.7	-70	174.1	0	0	0	111.1	F486 K544 F545 K551 E552	F486-L548 HydrophobicContact CB-CD1 3.87Å; F486-L548 HydrophobicContact CD1-CB 4.04Å; F486-L548 HydrophobicContact CD1-CD1 4Å; F486-L548 HydrophobicContact CD1-CG 4.42Å; F486-L548 HydrophobicContact CD2-CB 4.44Å; F486-L548 HydrophobicContact CE1-CB 3.96Å; F486-L548 HydrophobicContact CE2-CB 4.36Å; F486-L548 HydrophobicContact CG-CB 4.28Å; F486-L548 HydrophobicContact CG-CD1 3.88Å; F486-L548 HydrophobicContact CZ-CB 4.12Å; K544-L548 HydrophobicContact CD-CD1 4.42Å; K544-L548 HydrophobicContact CG-CD1 4.06Å; K544-L548 WeakPolarHBondContact O-CG 3.19Å; K544-L548 PolarHBondContact O-N 2.84Å; K544-L548 VanDerWaalsContact O-N 3.1Å; F545-L548 PolarHBondContact O-N 3.39Å; L548-K551 PolarHBondContact O-N 2.86Å; L548-E552 PolarHBondContact O-N 3.36Å
549	L	93.5	Very high	90.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.2	-43.9	175.6	-74.6	179.7	0	0	0	111.6	F486 I511 V514 F545 K551 E552 V553 I582 L597	F486-L549 HydrophobicContact CE2-CD2 3.76Å; F486-L549 HydrophobicContact CE2-CG 4.3Å; F486-L549 HydrophobicContact CZ-CD2 4.18Å; I511-L549 HydrophobicContact CG1-CD2 3.95Å; V514-L549 HydrophobicContact CB-CD1 4.47Å; V514-L549 HydrophobicContact CG1-CD1 3.78Å; V514-L549 HydrophobicContact CG1-CG 4.34Å; V514-L549 HydrophobicContact CG2-CD2 4.33Å; F545-L549 WeakPolarHBondContact O-CB 3.41Å; F545-L549 WeakPolarHBondContact O-CG 3.34Å; F545-L549 PolarHBondContact O-N 2.75Å; L549-K551 VanDerWaalsContact C-N 3.27Å; L549-K551 PolarHBondContact O-N 2.99Å; L549-E552 PolarHBondContact O-N 3.12Å; L549-E552 VanDerWaalsContact O-N 3.14Å; L549-V553 WeakPolarHBondContact O-CB 3.36Å; L549-V553 VanDerWaalsContact O-CG2 3.24Å; L549-V553 WeakPolarHBondContact O-CG2 3.38Å; L549-V553 PolarHBondContact O-N 3.32Å; L549-I582 HydrophobicContact CD1-CD1 3.81Å; L549-L597 HydrophobicContact CB-CD1 4.07Å; L549-L597 HydrophobicContact CD1-CD1 4.38Å
550	A	90.9	Very high	90.5	Very high	3 Å²	3	34.1 Å²	34.1	3%	0.025	18%	0.181	C	C	.	.	H	α-helix	trans	-58.5	-41.3	177.9	0	0	0	0	0	111.9	D546 K554 Q596 L597	D546-A550 WeakPolarHBondContact O-CB 3.21Å; D546-A550 PolarHBondContact O-N 3.19Å; A550-K554 WeakPolarHBondContact O-CB 3.39Å; A550-K554 VanDerWaalsContact O-CG 3.24Å; A550-K554 WeakPolarHBondContact O-CG 3.34Å; A550-K554 PolarHBondContact O-N 3.16Å; A550-K554 VanDerWaalsContact O-N 3.17Å; A550-Q596 HydrophobicContact CB-CB 3.63Å; A550-L597 HydrophobicContact CB-CD2 3.7Å; A550-L597 HydrophobicContact CB-CG 4.07Å
551	K	90.8	Very high	89.8	Confident	131 Å²	131	39.4 Å²	39.4	57%	0.57	21%	0.205	S	C	*	.	H	α-helix	trans	-65.6	-43.7	175.2	-72.2	173	-175.6	177.5	0	112	S547 L548 L549 A555	S547-K551 VanDerWaalsContact O-CG 3.3Å; S547-K551 WeakPolarHBondContact O-CG 3.36Å; S547-K551 PolarHBondContact O-N 3.38Å; L548-K551 PolarHBondContact O-N 2.86Å; L549-K551 VanDerWaalsContact C-N 3.27Å; L549-K551 PolarHBondContact O-N 2.99Å; K551-A555 VanDerWaalsContact O-CB 3.25Å; K551-A555 WeakPolarHBondContact O-CB 3.37Å; K551-A555 PolarHBondContact O-N 2.97Å
552	E	91.9	Very high	89.1	Confident	34 Å²	34	46.9 Å²	46.9	16%	0.159	25%	0.245	C	C	.	.	H	α-helix	trans	-69.4	-44.7	-177.4	-169.1	62.2	-169.1	0	0	112.9	F486 K490 L507 L510 L548 L549 A555 T556	F486-E552 HydrophobicContact CZ-CB 4.33Å; K490-E552 VanDerWaalsContact CE-CD 3.48Å; K490-E552 WeakPolarHBondContact CE-OE1 3.47Å; K490-E552 VanDerWaalsContact CE-OE2 3.32Å; K490-E552 WeakPolarHBondContact CE-OE2 3.41Å; K490-E552 VanDerWaalsContact NZ-CD 3.26Å; K490-E552 IonicContact NZ-OE1 3.21Å; K490-E552 PolarHBondContact NZ-OE1 3.33Å; K490-E552 VanDerWaalsContact NZ-OE1 3.16Å; K490-E552 IonicContact NZ-OE2 2.97Å; K490-E552 PolarHBondContact NZ-OE2 3.4Å; L507-E552 HydrophobicContact CD1-CG 4.06Å; L510-E552 HydrophobicContact CD2-CG 4.43Å; L548-E552 PolarHBondContact O-N 3.36Å; L549-E552 PolarHBondContact O-N 3.12Å; L549-E552 VanDerWaalsContact O-N 3.14Å; E552-A555 PolarHBondContact O-N 3.09Å; E552-T556 WeakPolarHBondContact O-CB 3.44Å; E552-T556 PolarHBondContact O-N 2.93Å; E552-T556 PolarHBondContact O-OG1 3.32Å
553	V	91.1	Very high	88.5	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.2	-48	178.5	171.6	0	0	0	0	109.7	L507 I511 L549 A555 T556 L557 L579 F604	L507-V553 HydrophobicContact CD1-CG2 4.42Å; L507-V553 HydrophobicContact CD2-CG2 4.38Å; I511-V553 HydrophobicContact CD1-CG2 4.04Å; L549-V553 WeakPolarHBondContact O-CB 3.36Å; L549-V553 VanDerWaalsContact O-CG2 3.24Å; L549-V553 WeakPolarHBondContact O-CG2 3.38Å; L549-V553 PolarHBondContact O-N 3.32Å; V553-A555 PolarHBondContact O-N 2.82Å; V553-T556 PolarHBondContact O-N 3.14Å; V553-L557 HydrophobicContact CG1-CD1 3.58Å; V553-L557 HydrophobicContact CG1-CG 4.27Å; V553-L557 WeakPolarHBondContact O-CB 3.35Å; V553-L557 VanDerWaalsContact O-CG 3.28Å; V553-L557 WeakPolarHBondContact O-CG 3.41Å; V553-L557 PolarHBondContact O-N 3.02Å; V553-L579 HydrophobicContact CG1-CD1 4.12Å; V553-L579 HydrophobicContact CG2-CD1 3.94Å; V553-L579 HydrophobicContact CG2-CD2 4.23Å; V553-F604 HydrophobicContact CG1-CE2 4.45Å; V553-F604 HydrophobicContact CG1-CZ 4.41Å
554	K	89.6	Confident	88.1	Confident	101 Å²	101	50.1 Å²	50.1	44%	0.439	26%	0.261	S	S	.	.	H	α-helix	trans	-60.4	-46.9	175.9	-73.8	179.9	178.8	-173.6	0	112.3	A550 T556 L557 S558	A550-K554 WeakPolarHBondContact O-CB 3.39Å; A550-K554 VanDerWaalsContact O-CG 3.24Å; A550-K554 WeakPolarHBondContact O-CG 3.34Å; A550-K554 PolarHBondContact O-N 3.16Å; A550-K554 VanDerWaalsContact O-N 3.17Å; K554-T556 VanDerWaalsContact C-N 3.28Å; K554-T556 PolarHBondContact O-N 3.47Å; K554-L557 PolarHBondContact O-N 3.1Å; K554-S558 WeakPolarHBondContact O-CB 3.31Å; K554-S558 PolarHBondContact O-N 2.96Å; K554-S558 PolarHBondContact O-OG 3.17Å; K554-S558 VanDerWaalsContact O-OG 3.07Å
555	A	88.8	Confident	87.8	Confident	53 Å²	53	54.5 Å²	54.5	44%	0.438	28%	0.282	S	S	.	.	H	α-helix	trans	-60.6	-38.9	178.1	0	0	0	0	0	112.3	K551 E552 V553 I559	K551-A555 VanDerWaalsContact O-CB 3.25Å; K551-A555 WeakPolarHBondContact O-CB 3.37Å; K551-A555 PolarHBondContact O-N 2.97Å; E552-A555 PolarHBondContact O-N 3.09Å; V553-A555 PolarHBondContact O-N 2.82Å; A555-I559 WeakPolarHBondContact O-CG1 3.23Å
556	T	87.4	Confident	87.3	Confident	10 Å²	10	57.8 Å²	57.8	6%	0.061	30%	0.299	C	S	.	.	H	α-helix	trans	-71.7	-44	179.2	-54.3	0	0	0	0	111.6	I503 L507 E552 V553 K554 I559 M560	I503-T556 HydrophobicContact CG2-CG2 3.54Å; L507-T556 HydrophobicContact CD2-CG2 3.96Å; E552-T556 WeakPolarHBondContact O-CB 3.44Å; E552-T556 PolarHBondContact O-N 2.93Å; E552-T556 PolarHBondContact O-OG1 3.32Å; V553-T556 PolarHBondContact O-N 3.14Å; K554-T556 VanDerWaalsContact C-N 3.28Å; K554-T556 PolarHBondContact O-N 3.47Å; T556-I559 WeakPolarHBondContact O-CB 3.48Å; T556-I559 PolarHBondContact O-N 3.38Å; T556-M560 HydrophobicContact CG2-CE 4.29Å
557	L	86.5	Confident	86.9	Confident	21 Å²	21	62.2 Å²	62.2	11%	0.11	32%	0.323	C	S	.	.	H	α-helix	trans	-69.3	-33.8	-179.9	-68.7	173.9	0	0	0	112.2	V553 K554 I559 M560 E561 L572 D603 F604	V553-L557 HydrophobicContact CG1-CD1 3.58Å; V553-L557 HydrophobicContact CG1-CG 4.27Å; V553-L557 WeakPolarHBondContact O-CB 3.35Å; V553-L557 VanDerWaalsContact O-CG 3.28Å; V553-L557 WeakPolarHBondContact O-CG 3.41Å; V553-L557 PolarHBondContact O-N 3.02Å; K554-L557 PolarHBondContact O-N 3.1Å; L557-I559 PolarHBondContact O-N 2.96Å; L557-M560 HydrophobicContact CD2-SD 4.4Å; L557-M560 CarbonylContact O-C 3.47Å; L557-M560 WeakPolarHBondContact O-CA 3.25Å; L557-M560 WeakPolarHBondContact O-CB 3.24Å; L557-M560 PolarHBondContact O-N 2.84Å; L557-E561 PolarHBondContact O-N 2.92Å; L557-L572 HydrophobicContact CD2-CD1 3.97Å; L557-L572 HydrophobicContact CD2-CD2 3.93Å; L557-D603 HydrophobicContact CD1-CB 3.51Å; L557-F604 HydrophobicContact CD1-CE1 4.44Å; L557-F604 HydrophobicContact CD1-CE2 4.27Å; L557-F604 HydrophobicContact CD1-CZ 4.13Å; L557-F604 HydrophobicContact CD2-CE1 4.47Å
558	S	87	Confident	86.7	Confident	75 Å²	75	61.2 Å²	61.2	52%	0.524	32%	0.315	S	S	.	.	H	α-helix	trans	-62.4	-23.8	171.7	-66.3	0	0	0	0	113.7	K554 M560	K554-S558 WeakPolarHBondContact O-CB 3.31Å; K554-S558 PolarHBondContact O-N 2.96Å; K554-S558 PolarHBondContact O-OG 3.17Å; K554-S558 VanDerWaalsContact O-OG 3.07Å; S558-M560 VanDerWaalsContact C-N 3.29Å
559	I	85.9	Confident	86.4	Confident	103 Å²	103	60.4 Å²	60.4	53%	0.528	31%	0.311	S	S	.	.	H	α-helix	trans	-74.4	-26.9	172.9	-62.7	164.7	0	0	0	110.8	L500 A555 T556 L557	L500-I559 HydrophobicContact CD2-CG2 4.28Å; A555-I559 WeakPolarHBondContact O-CG1 3.23Å; T556-I559 WeakPolarHBondContact O-CB 3.48Å; T556-I559 PolarHBondContact O-N 3.38Å; L557-I559 PolarHBondContact O-N 2.96Å
560	M	83.3	Confident	86.1	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-95.7	-2.5	-176.1	-63.1	177.1	167.3	0	0	113.1	L500 I503 T556 L557 S558 D562 Q563 L568 L572	L500-M560 HydrophobicContact CB-CE 4.42Å; L500-M560 HydrophobicContact CD2-CG 4.37Å; L500-M560 WeakPolarHBondContact O-CE 3.44Å; I503-M560 HydrophobicContact CB-CE 3.88Å; I503-M560 HydrophobicContact CG2-CE 3.76Å; T556-M560 HydrophobicContact CG2-CE 4.29Å; L557-M560 HydrophobicContact CD2-SD 4.4Å; L557-M560 CarbonylContact O-C 3.47Å; L557-M560 WeakPolarHBondContact O-CA 3.25Å; L557-M560 WeakPolarHBondContact O-CB 3.24Å; L557-M560 PolarHBondContact O-N 2.84Å; S558-M560 VanDerWaalsContact C-N 3.29Å; M560-D562 PolarHBondContact O-N 2.88Å; M560-Q563 PolarHBondContact O-N 3Å; M560-L568 HydrophobicContact CB-CD2 4.18Å; M560-L568 HydrophobicContact CE-CD1 3.66Å; M560-L568 HydrophobicContact CG-CD2 4.23Å; M560-L568 HydrophobicContact SD-CD1 3.81Å; M560-L568 HydrophobicContact SD-CD2 4.34Å; M560-L568 HydrophobicContact SD-CG 4.39Å; M560-L572 HydrophobicContact SD-CD1 4.29Å; M560-L572 HydrophobicContact SD-CD2 4.03Å
561	E	78	Confident	86	Confident	123 Å²	123	65 Å²	65	58%	0.575	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	134.5	-179.7	-158	167.6	-174.4	0	0	109.9	L557 Q563	L557-E561 PolarHBondContact O-N 2.92Å; E561-Q563 PolarHBondContact O-N 3.32Å; E561-Q563 VanDerWaalsContact O-N 3.11Å
562	D	76.9	Confident	85.9	Confident	158 Å²	158	58.8 Å²	58.8	85%	0.845	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	4.3	-176.3	-56.8	-39.7	0	0	0	117.6	M560	M560-D562 PolarHBondContact O-N 2.88Å
563	Q	81.3	Confident	85.9	Confident	114 Å²	114	59 Å²	59	53%	0.533	31%	0.306	S	S	.	.			trans	-115.4	24.5	179.9	-60.6	-176.2	10.6	0	0	113	L500 M560 E561 E565	L500-Q563 HydrophobicContact CD1-CB 4.15Å; L500-Q563 VanDerWaalsContact CD1-OE1 3.3Å; M560-Q563 PolarHBondContact O-N 3Å; E561-Q563 PolarHBondContact O-N 3.32Å; E561-Q563 VanDerWaalsContact O-N 3.11Å; Q563-E565 PolarHBondContact O-N 3.41Å; Q563-E565 VanDerWaalsContact O-N 3.16Å
564	M	83.1	Confident	85.9	Confident	32 Å²	32	61.6 Å²	61.6	16%	0.158	32%	0.322	C	S	.	.			trans	-70.3	110.4	-174.7	-164.2	64.3	69.6	0	0	111.7	L568 L572 D606 A607 Y610	M564-L568 HydrophobicContact SD-CD2 4.41Å; M564-L568 HydrophobicContact SD-CG 4.37Å; M564-L572 HydrophobicContact CE-CD1 3.88Å; M564-L572 HydrophobicContact SD-CD1 4.01Å; M564-D606 HydrophobicContact CE-CB 4.16Å; M564-A607 HydrophobicContact CE-CB 4.2Å; M564-A607 HydrophobicContact SD-CB 4.1Å; M564-Y610 HydrophobicContact CB-CE2 4.08Å; M564-Y610 HydrophobicContact CG-CD2 3.84Å; M564-Y610 HydrophobicContact CG-CE2 3.57Å; M564-Y610 VanDerWaalsContact O-CZ 3.31Å; M564-Y610 PolarHBondContact O-OH 3.35Å
565	E	85.8	Confident	86	Confident	133 Å²	133	56.8 Å²	56.8	62%	0.621	30%	0.301	S	S	*	.			trans	-117.9	167.3	174.9	-67.1	-171.8	171.2	0	0	112.1	Q563 N567 L568 S569	Q563-E565 PolarHBondContact O-N 3.41Å; Q563-E565 VanDerWaalsContact O-N 3.16Å; E565-N567 VanDerWaalsContact C-N 3.34Å; E565-N567 PolarHBondContact O-N 3.28Å; E565-L568 PolarHBondContact O-N 3.13Å; E565-S569 WeakPolarHBondContact O-CB 3.36Å; E565-S569 PolarHBondContact O-N 3.38Å
566	L	84.6	Confident	86.2	Confident	69 Å²	69	54.3 Å²	54.3	36%	0.361	28%	0.28	S	S	.	.	H	α-helix	trans	-57	-41.5	-177.7	-175.5	65.4	0	0	0	113.6	K570 Y610 Q614	L566-K570 WeakPolarHBondContact O-CG 3.49Å; L566-K570 PolarHBondContact O-N 3.12Å; L566-K570 VanDerWaalsContact O-N 3.11Å; L566-Y610 HydrophobicContact CD1-CD1 4.45Å; L566-Q614 HydrophobicContact CD1-CB 4.25Å
567	N	84.3	Confident	86.4	Confident	100 Å²	100	56.1 Å²	56.1	54%	0.535	29%	0.29	S	S	.	.	H	α-helix	trans	-73.3	-35.3	-178.6	-69.2	-25.5	0	0	0	112.1	T501 E565 K570 S571	T501-N567 HydrophobicContact CG2-CB 4.22Å; E565-N567 VanDerWaalsContact C-N 3.34Å; E565-N567 PolarHBondContact O-N 3.28Å; N567-K570 PolarHBondContact O-N 2.62Å; N567-S571 PolarHBondContact O-N 3.23Å
568	L	86.4	Confident	86.7	Confident	5 Å²	5	56 Å²	56	3%	0.026	29%	0.291	C	S	.	.	H	α-helix	trans	-68.7	-45.8	174.9	-177.1	58	0	0	0	111.2	L500 M560 M564 E565 K570 S571 L572	L500-L568 HydrophobicContact CB-CD1 3.87Å; L500-L568 HydrophobicContact CB-CD2 4.26Å; L500-L568 HydrophobicContact CD1-CD2 4.28Å; L500-L568 WeakPolarHBondContact O-CD1 3.04Å; M560-L568 HydrophobicContact CB-CD2 4.18Å; M560-L568 HydrophobicContact CE-CD1 3.66Å; M560-L568 HydrophobicContact CG-CD2 4.23Å; M560-L568 HydrophobicContact SD-CD1 3.81Å; M560-L568 HydrophobicContact SD-CD2 4.34Å; M560-L568 HydrophobicContact SD-CG 4.39Å; M564-L568 HydrophobicContact SD-CD2 4.41Å; M564-L568 HydrophobicContact SD-CG 4.37Å; E565-L568 PolarHBondContact O-N 3.13Å; L568-K570 PolarHBondContact O-N 3.26Å; L568-S571 PolarHBondContact O-N 3.05Å; L568-S571 PolarHBondContact O-OG 2.7Å; L568-L572 HydrophobicContact CG-CD1 4.45Å; L568-L572 WeakPolarHBondContact O-CG 3.43Å; L568-L572 PolarHBondContact O-N 3.46Å; L568-L572 VanDerWaalsContact O-N 3.08Å
569	S	87.6	Confident	86.9	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.007	27%	0.266	C	S	.	.	H	α-helix	trans	-55	-41.1	173.2	166.8	0	0	0	0	111.7	E565 S571 L572 F573 A607 Y610 W611	E565-S569 WeakPolarHBondContact O-CB 3.36Å; E565-S569 PolarHBondContact O-N 3.38Å; S569-S571 PolarHBondContact O-N 3.33Å; S569-L572 PolarHBondContact O-N 2.98Å; S569-F573 PolarHBondContact O-N 3.14Å; S569-F573 VanDerWaalsContact O-N 3.17Å; S569-A607 PolarHBondContact OG-O 3.18Å; S569-Y610 VanDerWaalsContact OG-CB 3.24Å; S569-Y610 WeakPolarHBondContact OG-CB 3.5Å; S569-W611 PolarHBondContact O-NE1 3.19Å; S569-W611 PolarHBondContact OG-NE1 3.16Å
570	K	87.1	Confident	87.1	Confident	87 Å²	87	48.3 Å²	48.3	38%	0.378	24%	0.244	S	C	.	.	H	α-helix	trans	-61.6	-39.8	175.1	-77.1	171.5	-177.4	170.4	0	113.4	L566 N567 L568 L572 F573 P574	L566-K570 WeakPolarHBondContact O-CG 3.49Å; L566-K570 PolarHBondContact O-N 3.12Å; L566-K570 VanDerWaalsContact O-N 3.11Å; N567-K570 PolarHBondContact O-N 2.62Å; L568-K570 PolarHBondContact O-N 3.26Å; K570-L572 VanDerWaalsContact C-N 3.3Å; K570-F573 PolarHBondContact O-N 3.01Å; K570-P574 VanDerWaalsContact O-CD 3.26Å; K570-P574 WeakPolarHBondContact O-CD 3.32Å
571	S	88	Confident	87.4	Confident	14 Å²	14	49.5 Å²	49.5	10%	0.098	25%	0.254	C	S	.	.	H	α-helix	trans	-72.7	-24	177.8	70.3	0	0	0	0	112.8	N567 L568 S569 P574	N567-S571 PolarHBondContact O-N 3.23Å; L568-S571 PolarHBondContact O-N 3.05Å; L568-S571 PolarHBondContact O-OG 2.7Å; S569-S571 PolarHBondContact O-N 3.33Å; S571-P574 WeakPolarHBondContact O-CD 3.08Å
572	L	90.2	Very high	88	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-81.3	-19.6	175.7	-67.3	179.4	0	0	0	114.2	L557 M560 M564 L568 S569 K570 V575 Y576 F604 W611	L557-L572 HydrophobicContact CD2-CD1 3.97Å; L557-L572 HydrophobicContact CD2-CD2 3.93Å; M560-L572 HydrophobicContact SD-CD1 4.29Å; M560-L572 HydrophobicContact SD-CD2 4.03Å; M564-L572 HydrophobicContact CE-CD1 3.88Å; M564-L572 HydrophobicContact SD-CD1 4.01Å; L568-L572 HydrophobicContact CG-CD1 4.45Å; L568-L572 WeakPolarHBondContact O-CG 3.43Å; L568-L572 PolarHBondContact O-N 3.46Å; L568-L572 VanDerWaalsContact O-N 3.08Å; S569-L572 PolarHBondContact O-N 2.98Å; K570-L572 VanDerWaalsContact C-N 3.3Å; L572-V575 HydrophobicContact CD2-CG2 4.46Å; L572-V575 VanDerWaalsContact O-CB 3.31Å; L572-V575 WeakPolarHBondContact O-CB 3.28Å; L572-V575 PolarHBondContact O-N 3.37Å; L572-Y576 PolarHBondContact O-N 2.64Å; L572-F604 HydrophobicContact CB-CD1 4.36Å; L572-F604 HydrophobicContact CB-CE1 4.16Å; L572-F604 HydrophobicContact CD2-CE1 4.47Å; L572-W611 HydrophobicContact CB-CZ2 4.35Å
573	F	91.1	Very high	88.5	Confident	39 Å²	39	37.6 Å²	37.6	17%	0.171	19%	0.193	C	C	.	.	H	α-helix	trans	-62.9	-45	-179.8	-170	-115.3	0	0	0	113.2	S569 K570 V575 Y576 L577 W611 L661 Q664 L665	S569-F573 PolarHBondContact O-N 3.14Å; S569-F573 VanDerWaalsContact O-N 3.17Å; K570-F573 PolarHBondContact O-N 3.01Å; F573-V575 VanDerWaalsContact C-N 3.3Å; F573-V575 PolarHBondContact O-N 3.44Å; F573-Y576 WeakPolarHBondContact O-CB 3.49Å; F573-Y576 PolarHBondContact O-N 3.28Å; F573-L577 HydrophobicContact CD1-CD1 4.07Å; F573-L577 HydrophobicContact CE1-CD1 3.75Å; F573-L577 HydrophobicContact CE1-CG 4.31Å; F573-L577 HydrophobicContact CZ-CD1 4.24Å; F573-L577 HydrophobicContact CZ-CD2 4.23Å; F573-L577 HydrophobicContact CZ-CG 4.4Å; F573-L577 WeakPolarHBondContact O-CG 3.37Å; F573-L577 PolarHBondContact O-N 3.49Å; F573-L577 VanDerWaalsContact O-N 3.1Å; F573-W611 HydrophobicContact CB-CZ2 4.11Å; F573-W611 AromaticContact CD2-CD2 3.6Å; F573-W611 HydrophobicContact CD2-CD2 3.6Å; F573-W611 AromaticContact CD2-CE2 3.63Å; F573-W611 AromaticContact CD2-CE3 3.91Å; F573-W611 HydrophobicContact CD2-CE3 3.91Å; F573-W611 AromaticContact CD2-CG 4Å; F573-W611 HydrophobicContact CD2-CG 4Å; F573-W611 HydrophobicContact CD2-CH2 4.24Å; F573-W611 AromaticContact CD2-CZ2 3.98Å; F573-W611 HydrophobicContact CD2-CZ2 3.98Å; F573-W611 HydrophobicContact CD2-CZ3 4.21Å; F573-W611 AromaticContact CD2-NE1 4Å; F573-W611 HydrophobicContact CE2-CD2 4.24Å; F573-W611 HydrophobicContact CE2-CE3 4.25Å; F573-W611 HydrophobicContact CG-CD2 4.5Å; F573-L661 HydrophobicContact CE2-CD1 3.79Å; F573-L661 HydrophobicContact CZ-CD1 3.6Å; F573-Q664 HydrophobicContact CZ-CB 4.39Å; F573-L665 HydrophobicContact CE2-CD2 4.05Å
574	P	91.8	Very high	88.7	Confident	53 Å²	53	37.7 Å²	37.7	34%	0.344	19%	0.192	S	C	.	.	H	α-helix	trans	-59.5	-37.2	171.8	-25.8	36	0	0	0	113.7	S508 K570 S571 Y576 L577 S578	S508-P574 WeakPolarHBondContact OG-CB 3.24Å; K570-P574 VanDerWaalsContact O-CD 3.26Å; K570-P574 WeakPolarHBondContact O-CD 3.32Å; S571-P574 WeakPolarHBondContact O-CD 3.08Å; P574-Y576 VanDerWaalsContact C-N 3.34Å; P574-Y576 PolarHBondContact O-N 2.81Å; P574-L577 PolarHBondContact O-N 2.83Å; P574-S578 PolarHBondContact O-N 3.45Å; P574-S578 PolarHBondContact O-OG 3.29Å; P574-S578 VanDerWaalsContact O-OG 3.12Å
575	V	92.1	Very high	88.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.5	-48.3	175.8	179.4	0	0	0	0	109.9	L507 I511 L572 F573 L577 S578 L579 F604	L507-V575 HydrophobicContact CD2-CG1 3.8Å; L507-V575 HydrophobicContact CD2-CG2 4.44Å; L507-V575 HydrophobicContact CG-CG1 4.18Å; L507-V575 HydrophobicContact CG-CG2 4.44Å; I511-V575 HydrophobicContact CD1-CG1 3.59Å; L572-V575 HydrophobicContact CD2-CG2 4.46Å; L572-V575 VanDerWaalsContact O-CB 3.31Å; L572-V575 WeakPolarHBondContact O-CB 3.28Å; L572-V575 PolarHBondContact O-N 3.37Å; F573-V575 VanDerWaalsContact C-N 3.3Å; F573-V575 PolarHBondContact O-N 3.44Å; V575-L577 PolarHBondContact O-N 3.12Å; V575-S578 PolarHBondContact O-N 3.32Å; V575-L579 HydrophobicContact CG1-CD1 4.1Å; V575-L579 WeakPolarHBondContact O-CB 3.49Å; V575-L579 WeakPolarHBondContact O-CG 3.26Å; V575-L579 PolarHBondContact O-N 3.48Å; V575-F604 HydrophobicContact CB-CE1 4.32Å; V575-F604 HydrophobicContact CB-CZ 4.34Å; V575-F604 HydrophobicContact CG1-CE1 4.11Å; V575-F604 HydrophobicContact CG1-CZ 3.71Å
576	Y	92.3	Very high	88.9	Confident	1 Å²	1	34.9 Å²	34.9	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-58.5	-46.9	176.5	177.6	-90.9	0	0	0	112.3	L572 F573 P574 L579 Q580 F600 H601 F604 W611 L665 W667	L572-Y576 PolarHBondContact O-N 2.64Å; F573-Y576 WeakPolarHBondContact O-CB 3.49Å; F573-Y576 PolarHBondContact O-N 3.28Å; P574-Y576 VanDerWaalsContact C-N 3.34Å; P574-Y576 PolarHBondContact O-N 2.81Å; Y576-L579 PolarHBondContact O-N 3.05Å; Y576-Q580 WeakPolarHBondContact O-CB 3.3Å; Y576-Q580 PolarHBondContact O-N 3.43Å; Y576-F600 HydrophobicContact CD2-CD2 4.4Å; Y576-F600 AromaticContact CD2-CE2 3.83Å; Y576-F600 HydrophobicContact CD2-CE2 3.83Å; Y576-F600 HydrophobicContact CE2-CD2 4.42Å; Y576-F600 AromaticContact CE2-CE2 3.67Å; Y576-F600 HydrophobicContact CE2-CE2 3.67Å; Y576-F600 HydrophobicContact CE2-CZ 4.34Å; Y576-H601 HydrophobicContact CE2-CB 4.24Å; Y576-F604 HydrophobicContact CD2-CB 4.16Å; Y576-F604 AromaticContact CD2-CD2 3.85Å; Y576-F604 HydrophobicContact CD2-CD2 3.85Å; Y576-F604 HydrophobicContact CD2-CE2 4.41Å; Y576-F604 AromaticContact CD2-CG 3.95Å; Y576-F604 HydrophobicContact CD2-CG 3.95Å; Y576-W611 HydrophobicContact CD2-CH2 4.28Å; Y576-W611 HydrophobicContact CD2-CZ3 4.43Å; Y576-W611 HydrophobicContact CG-CH2 4.06Å; Y576-W611 HydrophobicContact CG-CZ3 4.29Å; Y576-L665 HydrophobicContact CD1-CD2 4.47Å; Y576-L665 HydrophobicContact CE1-CD2 4.04Å; Y576-L665 PolarHBondContact OH-O 3.01Å; Y576-W667 HydrophobicContact CE2-CE3 4.25Å; Y576-W667 HydrophobicContact CE2-CH2 4.39Å; Y576-W667 AromaticContact CE2-CZ3 3.69Å; Y576-W667 HydrophobicContact CE2-CZ3 3.69Å; Y576-W667 AromaticContact CZ-CE3 3.99Å; Y576-W667 AromaticContact CZ-CZ3 3.85Å
577	L	91.9	Very high	88.8	Confident	49 Å²	49	34.7 Å²	34.7	26%	0.257	19%	0.187	S	C	.	.	H	α-helix	trans	-64	-43	-178.9	-65.5	178.3	0	0	0	112.4	F573 P574 V575 Q580 A581 Q664	F573-L577 HydrophobicContact CD1-CD1 4.07Å; F573-L577 HydrophobicContact CE1-CD1 3.75Å; F573-L577 HydrophobicContact CE1-CG 4.31Å; F573-L577 HydrophobicContact CZ-CD1 4.24Å; F573-L577 HydrophobicContact CZ-CD2 4.23Å; F573-L577 HydrophobicContact CZ-CG 4.4Å; F573-L577 WeakPolarHBondContact O-CG 3.37Å; F573-L577 PolarHBondContact O-N 3.49Å; F573-L577 VanDerWaalsContact O-N 3.1Å; P574-L577 PolarHBondContact O-N 2.83Å; V575-L577 PolarHBondContact O-N 3.12Å; L577-Q580 PolarHBondContact O-N 2.98Å; L577-A581 PolarHBondContact O-N 2.97Å; L577-Q664 HydrophobicContact CD2-CB 3.94Å; L577-Q664 HydrophobicContact CD2-CG 4.43Å
578	S	91.5	Very high	88.7	Confident	18 Å²	18	35.7 Å²	35.7	13%	0.126	19%	0.186	C	C	.	.	H	α-helix	trans	-65.9	-41.5	177.8	-58.4	0	0	0	0	111.5	P574 V575 A581 I582	P574-S578 PolarHBondContact O-N 3.45Å; P574-S578 PolarHBondContact O-OG 3.29Å; P574-S578 VanDerWaalsContact O-OG 3.12Å; V575-S578 PolarHBondContact O-N 3.32Å; S578-A581 PolarHBondContact O-N 3.29Å; S578-I582 WeakPolarHBondContact O-CG1 3.48Å; S578-I582 PolarHBondContact O-N 2.82Å
579	L	91.7	Very high	88.5	Confident	1 Å²	1	36 Å²	36	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-63.6	-40.2	173.6	-72.4	173.3	0	0	0	112.2	I511 V553 V575 Y576 A581 I582 H583 L597 F600 F604	I511-L579 HydrophobicContact CD1-CD1 4.35Å; I511-L579 HydrophobicContact CD1-CD2 4.03Å; I511-L579 HydrophobicContact CD1-CG 4.02Å; I511-L579 HydrophobicContact CG2-CD2 4.21Å; I511-L579 HydrophobicContact CG2-CG 4.42Å; V553-L579 HydrophobicContact CG1-CD1 4.12Å; V553-L579 HydrophobicContact CG2-CD1 3.94Å; V553-L579 HydrophobicContact CG2-CD2 4.23Å; V575-L579 HydrophobicContact CG1-CD1 4.1Å; V575-L579 WeakPolarHBondContact O-CB 3.49Å; V575-L579 WeakPolarHBondContact O-CG 3.26Å; V575-L579 PolarHBondContact O-N 3.48Å; Y576-L579 PolarHBondContact O-N 3.05Å; L579-A581 VanDerWaalsContact C-N 3.33Å; L579-A581 PolarHBondContact O-N 3.07Å; L579-I582 PolarHBondContact O-N 3.47Å; L579-H583 VanDerWaalsContact O-CB 3.27Å; L579-H583 WeakPolarHBondContact O-CB 3.31Å; L579-H583 PolarHBondContact O-N 3.17Å; L579-L597 HydrophobicContact CD2-CD1 4.4Å; L579-L597 HydrophobicContact CD2-CD2 4.4Å; L579-F600 HydrophobicContact CB-CD2 3.81Å; L579-F600 HydrophobicContact CB-CE2 3.94Å; L579-F600 HydrophobicContact CB-CG 4.46Å; L579-F600 HydrophobicContact CD1-CD2 4.23Å; L579-F604 HydrophobicContact CD1-CE2 3.82Å; L579-F604 HydrophobicContact CD1-CZ 3.91Å
580	Q	90.8	Very high	87.7	Confident	16 Å²	16	43.2 Å²	43.2	8%	0.075	22%	0.222	C	C	.	.	H	α-helix	trans	-63.5	-40.4	175.6	-168.5	-160.1	81.6	0	0	111.5	Y576 L577 H583 K584 F600 Q664 L665	Y576-Q580 WeakPolarHBondContact O-CB 3.3Å; Y576-Q580 PolarHBondContact O-N 3.43Å; L577-Q580 PolarHBondContact O-N 2.98Å; Q580-H583 PolarHBondContact O-N 3.38Å; Q580-K584 WeakPolarHBondContact O-CG 3.34Å; Q580-K584 PolarHBondContact O-N 3.02Å; Q580-F600 HydrophobicContact CB-CE2 4.3Å; Q580-F600 HydrophobicContact CB-CZ 3.85Å; Q580-F600 HydrophobicContact CG-CZ 4.19Å; Q580-Q664 PolarHBondContact NE2-O 3.38Å; Q580-Q664 PolarHBondContact OE1-O 3.35Å; Q580-L665 PolarHBondContact NE2-O 3.21Å
581	A	89.5	Confident	86.8	Confident	27 Å²	27	47 Å²	47	22%	0.223	24%	0.238	C	C	.	.	H	α-helix	trans	-63.6	-46.6	176.1	0	0	0	0	0	111.6	L577 S578 L579 H583 K584 D585	L577-A581 PolarHBondContact O-N 2.97Å; S578-A581 PolarHBondContact O-N 3.29Å; L579-A581 VanDerWaalsContact C-N 3.33Å; L579-A581 PolarHBondContact O-N 3.07Å; A581-H583 VanDerWaalsContact C-N 3.31Å; A581-H583 PolarHBondContact O-N 3.38Å; A581-K584 WeakPolarHBondContact O-CB 3.42Å; A581-K584 PolarHBondContact O-N 3.3Å; A581-K584 VanDerWaalsContact O-N 3.16Å; A581-D585 PolarHBondContact O-N 2.99Å
582	I	89.8	Confident	85.7	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-57.8	-46.1	172.8	-66.9	170	0	0	0	110.1	I511 Q515 I518 Y542 L549 S578 L579 K584 D585	I511-I582 HydrophobicContact CG2-CD1 3.75Å; Q515-I582 HydrophobicContact CB-CD1 4.06Å; Q515-I582 HydrophobicContact CB-CG1 3.97Å; Q515-I582 HydrophobicContact CG-CG1 4.01Å; I518-I582 HydrophobicContact CD1-CD1 4.4Å; I518-I582 HydrophobicContact CD1-CG1 4.24Å; I518-I582 HydrophobicContact CD1-CG2 3.83Å; Y542-I582 HydrophobicContact CE2-CG2 3.89Å; Y542-I582 WeakPolarHBondContact CE2-O 3.46Å; Y542-I582 PolarHBondContact OH-O 3Å; L549-I582 HydrophobicContact CD1-CD1 3.81Å; S578-I582 WeakPolarHBondContact O-CG1 3.48Å; S578-I582 PolarHBondContact O-N 2.82Å; L579-I582 PolarHBondContact O-N 3.47Å; I582-K584 VanDerWaalsContact C-N 3.28Å; I582-K584 PolarHBondContact O-N 3.34Å; I582-D585 WeakPolarHBondContact O-CB 3.34Å; I582-D585 PolarHBondContact O-N 3.44Å
583	H	87.4	Confident	84.6	Confident	28 Å²	28	58.4 Å²	58.4	13%	0.13	29%	0.294	C	S	.	.	H	α-helix	trans	-62.1	-32.4	178.9	-176.2	100.1	0	0	0	112.9	L579 Q580 A581 D585 K586 L597 T598 F600	L579-H583 VanDerWaalsContact O-CB 3.27Å; L579-H583 WeakPolarHBondContact O-CB 3.31Å; L579-H583 PolarHBondContact O-N 3.17Å; Q580-H583 PolarHBondContact O-N 3.38Å; A581-H583 VanDerWaalsContact C-N 3.31Å; A581-H583 PolarHBondContact O-N 3.38Å; H583-D585 VanDerWaalsContact C-N 3.31Å; H583-K586 PolarHBondContact CE1-NZ 2.78Å; H583-K586 WeakPolarHBondContact NE2-CE 3.44Å; H583-K586 PolarHBondContact NE2-NZ 2.84Å; H583-K586 VanDerWaalsContact O-CB 3.27Å; H583-K586 WeakPolarHBondContact O-CB 3.33Å; H583-K586 WeakPolarHBondContact O-CD 3.49Å; H583-K586 WeakPolarHBondContact O-CG 3.48Å; H583-K586 PolarHBondContact O-N 2.85Å; H583-L597 PolarHBondContact ND1-O 2.96Å; H583-T598 PolarHBondContact CE1-O 3.06Å; H583-F600 HydrophobicContact CB-CD1 4.41Å; H583-F600 HydrophobicContact CB-CE1 3.84Å; H583-F600 AromaticContact CG-CE1 3.77Å; H583-F600 AromaticContact ND1-CD1 3.94Å; H583-F600 AromaticContact ND1-CE1 3.85Å
584	K	87.1	Confident	83.8	Confident	117 Å²	117	65.3 Å²	65.3	51%	0.509	33%	0.331	S	S	.	.	H	α-helix	trans	-66.4	-33.2	173.4	-75.1	170.8	179.8	166.6	0	111.8	Q580 A581 I582 K586 A587	Q580-K584 WeakPolarHBondContact O-CG 3.34Å; Q580-K584 PolarHBondContact O-N 3.02Å; A581-K584 WeakPolarHBondContact O-CB 3.42Å; A581-K584 PolarHBondContact O-N 3.3Å; A581-K584 VanDerWaalsContact O-N 3.16Å; I582-K584 VanDerWaalsContact C-N 3.28Å; I582-K584 PolarHBondContact O-N 3.34Å; K584-K586 PolarHBondContact O-N 3.39Å; K584-A587 WeakPolarHBondContact O-CB 3.41Å; K584-A587 PolarHBondContact O-N 3.13Å
585	D	86.1	Confident	83.5	Confident	27 Å²	27	63.8 Å²	63.8	14%	0.144	32%	0.32	C	S	.	.	H	α-helix	trans	-66.7	-13.7	176.7	-78.1	-41	0	0	0	113.7	K522 F538 Y542 A581 I582 H583 A587 F588	K522-D585 IonicContact NZ-OD1 3.25Å; K522-D585 PolarHBondContact NZ-OD1 3.19Å; F538-D585 HydrophobicContact CZ-CB 4.31Å; Y542-D585 HydrophobicContact CE2-CB 4.16Å; A581-D585 PolarHBondContact O-N 2.99Å; I582-D585 WeakPolarHBondContact O-CB 3.34Å; I582-D585 PolarHBondContact O-N 3.44Å; H583-D585 VanDerWaalsContact C-N 3.31Å; D585-A587 PolarHBondContact O-N 2.95Å; D585-F588 WeakPolarHBondContact O-CD2 3.4Å; D585-F588 PolarHBondContact O-N 3.38Å
586	K	85	Confident	83	Confident	78 Å²	78	68.7 Å²	68.7	34%	0.339	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-54.7	-24.1	170.5	85.8	-172.5	175.2	174.4	0	113.5	Y542 H583 K584 F588 L589 L595	Y542-K586 HydrophobicContact CE1-CB 4.44Å; H583-K586 PolarHBondContact CE1-NZ 2.78Å; H583-K586 WeakPolarHBondContact NE2-CE 3.44Å; H583-K586 PolarHBondContact NE2-NZ 2.84Å; H583-K586 VanDerWaalsContact O-CB 3.27Å; H583-K586 WeakPolarHBondContact O-CB 3.33Å; H583-K586 WeakPolarHBondContact O-CD 3.49Å; H583-K586 WeakPolarHBondContact O-CG 3.48Å; H583-K586 PolarHBondContact O-N 2.85Å; K584-K586 PolarHBondContact O-N 3.39Å; K586-F588 PolarHBondContact O-N 3.01Å; K586-L589 HydrophobicContact CB-CD1 4.16Å; K586-L589 WeakPolarHBondContact O-CB 3.03Å; K586-L589 WeakPolarHBondContact O-CG 3.45Å; K586-L589 PolarHBondContact O-N 3.04Å; K586-L595 HydrophobicContact CB-CD1 4.03Å
587	A	82.9	Confident	82.7	Confident	65 Å²	65	68.9 Å²	68.9	54%	0.537	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-60.4	-23.1	178.9	0	0	0	0	0	112.9	K584 D585	K584-A587 WeakPolarHBondContact O-CB 3.41Å; K584-A587 PolarHBondContact O-N 3.13Å; D585-A587 PolarHBondContact O-N 2.95Å
588	F	82.4	Confident	82.2	Confident	121 Å²	121	69.4 Å²	69.4	53%	0.531	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-89.3	-3.7	-178.7	-63.6	-90.1	0	0	0	113.6	K522 F538 D585 K586 Q590	K522-F588 VanDerWaalsContact CE-CD2 3.5Å; K522-F588 VanDerWaalsContact NZ-CD2 3.34Å; K522-F588 VanDerWaalsContact NZ-CZ 3.27Å; F538-F588 HydrophobicContact CD1-CB 4.41Å; F538-F588 HydrophobicContact CE1-CB 3.63Å; F538-F588 HydrophobicContact CZ-CB 3.98Å; D585-F588 WeakPolarHBondContact O-CD2 3.4Å; D585-F588 PolarHBondContact O-N 3.38Å; K586-F588 PolarHBondContact O-N 3.01Å; F588-Q590 PolarHBondContact O-N 3.48Å
589	L	82.9	Confident	81.8	Confident	12 Å²	12	72.4 Å²	72.4	6%	0.063	36%	0.364	C	S	.	.			trans	-71.1	127.1	177.5	-64.8	172.3	0	0	0	111.2	F538 T539 Y542 K586 L595	F538-L589 HydrophobicContact CD1-CD2 4.33Å; F538-L589 HydrophobicContact CE1-CD2 3.9Å; F538-L589 HydrophobicContact CE1-CG 4.38Å; T539-L589 HydrophobicContact CG2-CD2 4.17Å; Y542-L589 HydrophobicContact CD1-CD1 3.83Å; Y542-L589 HydrophobicContact CD1-CD2 3.87Å; Y542-L589 HydrophobicContact CD1-CG 4.29Å; Y542-L589 HydrophobicContact CE1-CD1 3.86Å; Y542-L589 HydrophobicContact CG-CD2 4.03Å; K586-L589 HydrophobicContact CB-CD1 4.16Å; K586-L589 WeakPolarHBondContact O-CB 3.03Å; K586-L589 WeakPolarHBondContact O-CG 3.45Å; K586-L589 PolarHBondContact O-N 3.04Å; L589-L595 HydrophobicContact CD1-CD1 3.85Å; L589-L595 HydrophobicContact CD1-CD2 4.28Å
590	Q	70.7	Confident	81.6	Confident	153 Å²	153	72.7 Å²	72.7	72%	0.715	37%	0.365	S	S	*	.	S	Bend	trans	-72.1	-33.5	177.5	-62.7	-173	5	0	0	112.7	F588	F588-Q590 PolarHBondContact O-N 3.48Å
591	K	67.8	Low	81.4	Confident	167 Å²	167	72.4 Å²	72.4	73%	0.726	36%	0.364	S	S	*	.	S	Bend	trans	-123.2	116.2	176.1	-69.4	-177.9	-177.1	174.8	0	109.8	G593	K591-G593 PolarHBondContact O-N 3.12Å
592	R	65.5	Low	81.4	Confident	207 Å²	207	75.1 Å²	75.1	78%	0.781	37%	0.372	S	S	*	.			trans	-84.4	96.4	177.9	-63.5	-177.5	-176.6	180	1.7	109.5
593	G	66.2	Low	81.2	Confident	46 Å²	46	77.7 Å²	77.7	47%	0.474	39%	0.386	S	S	.	.			trans	-78.4	176.9	163.6	0	0	0	0	0	111.7	K591 L595	K591-G593 PolarHBondContact O-N 3.12Å; G593-L595 PolarHBondContact O-N 3Å
594	L	74.2	Confident	81.3	Confident	184 Å²	184	76.3 Å²	76.3	96%	0.963	38%	0.379	S	S	*	.			trans	-68.1	108.5	166	-83.7	146.4	0	0	0	108.7
595	L	85	Confident	81.3	Confident	20 Å²	20	74.9 Å²	74.9	11%	0.105	37%	0.371	C	S	.	.			trans	-88.9	139.2	174.7	-62.4	173.6	0	0	0	109.1	Y542 D546 K586 L589 G593 T598	Y542-L595 HydrophobicContact CD1-CD2 4.42Å; Y542-L595 HydrophobicContact CE1-CD1 4.03Å; Y542-L595 HydrophobicContact CE1-CD2 4.08Å; D546-L595 HydrophobicContact CB-CD2 4.33Å; D546-L595 WeakPolarHBondContact OD2-CA 3.35Å; K586-L595 HydrophobicContact CB-CD1 4.03Å; L589-L595 HydrophobicContact CD1-CD1 3.85Å; L589-L595 HydrophobicContact CD1-CD2 4.28Å; G593-L595 PolarHBondContact O-N 3Å; L595-T598 HydrophobicContact CB-CG2 3.94Å; L595-T598 WeakPolarHBondContact O-CG2 3.28Å; L595-T598 PolarHBondContact O-OG1 3.39Å
596	Q	82.9	Confident	81.4	Confident	103 Å²	103	78.6 Å²	78.6	48%	0.481	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-81.4	-24.3	-178.6	-63.1	-171.4	8.2	0	0	112.4	D546 A550 T598	D546-Q596 PolarHBondContact OD2-N 3.2Å; A550-Q596 HydrophobicContact CB-CB 3.63Å; Q596-T598 PolarHBondContact O-N 3.31Å
597	L	85.1	Confident	81.6	Confident	5 Å²	5	74.9 Å²	74.9	3%	0.026	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-85.3	20.9	172.5	-60.3	171.9	0	0	0	112.8	D546 L549 A550 L579 H583 N599 F600	D546-L597 HydrophobicContact CB-CD1 4.4Å; D546-L597 WeakPolarHBondContact OD1-CB 3.19Å; D546-L597 WeakPolarHBondContact OD1-CG 3.5Å; D546-L597 PolarHBondContact OD1-N 3Å; D546-L597 VanDerWaalsContact OD1-N 3.11Å; L549-L597 HydrophobicContact CB-CD1 4.07Å; L549-L597 HydrophobicContact CD1-CD1 4.38Å; A550-L597 HydrophobicContact CB-CD2 3.7Å; A550-L597 HydrophobicContact CB-CG 4.07Å; L579-L597 HydrophobicContact CD2-CD1 4.4Å; L579-L597 HydrophobicContact CD2-CD2 4.4Å; H583-L597 PolarHBondContact ND1-O 2.96Å; L597-N599 VanDerWaalsContact C-N 3.34Å; L597-F600 HydrophobicContact CD2-CB 4.34Å; L597-F600 VanDerWaalsContact O-CD1 3.31Å; L597-F600 WeakPolarHBondContact O-CD1 3.38Å
598	T	81.8	Confident	82	Confident	61 Å²	61	72.6 Å²	72.6	37%	0.374	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-64.9	-40.9	176.1	47	0	0	0	0	112.1	H583 L595 Q596	H583-T598 PolarHBondContact CE1-O 3.06Å; L595-T598 HydrophobicContact CB-CG2 3.94Å; L595-T598 WeakPolarHBondContact O-CG2 3.28Å; L595-T598 PolarHBondContact O-OG1 3.39Å; Q596-T598 PolarHBondContact O-N 3.31Å
599	N	83.4	Confident	82.4	Confident	80 Å²	80	70 Å²	70	43%	0.428	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-109.2	27.6	-174.2	-65.5	4.1	0	0	0	112.5	L597 H601 E602	L597-N599 VanDerWaalsContact C-N 3.34Å; N599-H601 PolarHBondContact O-N 3.49Å; N599-E602 HydrophobicContact CB-CG 4.15Å; N599-E602 WeakPolarHBondContact CB-OE2 3.28Å; N599-E602 WeakPolarHBondContact O-CB 3.39Å; N599-E602 PolarHBondContact O-N 3.17Å
600	F	87.4	Confident	82.8	Confident	7 Å²	7	73.5 Å²	73.5	3%	0.031	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-24.6	-177.4	77.1	-83.8	0	0	0	113.6	Y576 L579 Q580 H583 L597 E602 D603 F604	Y576-F600 HydrophobicContact CD2-CD2 4.4Å; Y576-F600 AromaticContact CD2-CE2 3.83Å; Y576-F600 HydrophobicContact CD2-CE2 3.83Å; Y576-F600 HydrophobicContact CE2-CD2 4.42Å; Y576-F600 AromaticContact CE2-CE2 3.67Å; Y576-F600 HydrophobicContact CE2-CE2 3.67Å; Y576-F600 HydrophobicContact CE2-CZ 4.34Å; L579-F600 HydrophobicContact CB-CD2 3.81Å; L579-F600 HydrophobicContact CB-CE2 3.94Å; L579-F600 HydrophobicContact CB-CG 4.46Å; L579-F600 HydrophobicContact CD1-CD2 4.23Å; Q580-F600 HydrophobicContact CB-CE2 4.3Å; Q580-F600 HydrophobicContact CB-CZ 3.85Å; Q580-F600 HydrophobicContact CG-CZ 4.19Å; H583-F600 HydrophobicContact CB-CD1 4.41Å; H583-F600 HydrophobicContact CB-CE1 3.84Å; H583-F600 AromaticContact CG-CE1 3.77Å; H583-F600 AromaticContact ND1-CD1 3.94Å; H583-F600 AromaticContact ND1-CE1 3.85Å; L597-F600 HydrophobicContact CD2-CB 4.34Å; L597-F600 VanDerWaalsContact O-CD1 3.31Å; L597-F600 WeakPolarHBondContact O-CD1 3.38Å; F600-E602 VanDerWaalsContact C-N 3.26Å; F600-E602 PolarHBondContact O-N 2.86Å; F600-D603 PolarHBondContact O-N 3.25Å; F600-F604 HydrophobicContact CD2-CE2 4.38Å; F600-F604 VanDerWaalsContact O-CD2 3.28Å; F600-F604 WeakPolarHBondContact O-CD2 3.06Å
601	H	87.4	Confident	83.8	Confident	11 Å²	11	66.8 Å²	66.8	5%	0.051	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-28.1	177.9	64.9	-79	0	0	0	113	Y576 N599 D603 F604 W667 P668	Y576-H601 HydrophobicContact CE2-CB 4.24Å; N599-H601 PolarHBondContact O-N 3.49Å; H601-D603 PolarHBondContact O-N 2.78Å; H601-F604 PolarHBondContact O-N 2.89Å; H601-F604 VanDerWaalsContact O-N 3.17Å; H601-W667 HydrophobicContact CB-CH2 4.21Å; H601-W667 HydrophobicContact CB-CZ2 4.1Å; H601-W667 AromaticContact CD2-NE1 3.88Å; H601-W667 WeakPolarHBondContact O-CH2 3.39Å; H601-W667 WeakPolarHBondContact O-CZ2 3.37Å; H601-P668 HydrophobicContact CB-CG 3.9Å; H601-P668 WeakPolarHBondContact ND1-CG 3.24Å
602	E	87.6	Confident	84.9	Confident	83 Å²	83	59.5 Å²	59.5	39%	0.388	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-62.1	-36.2	177.7	-61	-169.8	131.5	0	0	111	N599 F600 F604 R605	N599-E602 HydrophobicContact CB-CG 4.15Å; N599-E602 WeakPolarHBondContact CB-OE2 3.28Å; N599-E602 WeakPolarHBondContact O-CB 3.39Å; N599-E602 PolarHBondContact O-N 3.17Å; F600-E602 VanDerWaalsContact C-N 3.26Å; F600-E602 PolarHBondContact O-N 2.86Å; E602-F604 PolarHBondContact O-N 3.37Å; E602-F604 VanDerWaalsContact O-N 3.17Å; E602-R605 WeakPolarHBondContact O-CG 3.32Å; E602-R605 PolarHBondContact O-N 2.63Å; E602-R605 IonicContact OE1-CZ 2.97Å; E602-R605 IonicContact OE1-NH1 3.61Å; E602-R605 IonicContact OE1-NH2 3.96Å; E602-R605 PolarHBondContact OE1-NH2 3.16Å
603	D	86.2	Confident	86.1	Confident	56 Å²	56	53.7 Å²	53.7	30%	0.299	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-68.1	-13.8	-179.4	-52.5	-48	0	0	0	112.7	L557 F600 H601	L557-D603 HydrophobicContact CD1-CB 3.51Å; F600-D603 PolarHBondContact O-N 3.25Å; H601-D603 PolarHBondContact O-N 2.78Å
604	F	90	Very high	87.3	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-109.6	7.8	-180	-65.4	-90.3	0	0	0	114	V553 L557 L572 V575 Y576 L579 F600 H601 E602 D606 A607 L608 W611	V553-F604 HydrophobicContact CG1-CE2 4.45Å; V553-F604 HydrophobicContact CG1-CZ 4.41Å; L557-F604 HydrophobicContact CD1-CE1 4.44Å; L557-F604 HydrophobicContact CD1-CE2 4.27Å; L557-F604 HydrophobicContact CD1-CZ 4.13Å; L557-F604 HydrophobicContact CD2-CE1 4.47Å; L572-F604 HydrophobicContact CB-CD1 4.36Å; L572-F604 HydrophobicContact CB-CE1 4.16Å; L572-F604 HydrophobicContact CD2-CE1 4.47Å; V575-F604 HydrophobicContact CB-CE1 4.32Å; V575-F604 HydrophobicContact CB-CZ 4.34Å; V575-F604 HydrophobicContact CG1-CE1 4.11Å; V575-F604 HydrophobicContact CG1-CZ 3.71Å; Y576-F604 HydrophobicContact CD2-CB 4.16Å; Y576-F604 AromaticContact CD2-CD2 3.85Å; Y576-F604 HydrophobicContact CD2-CD2 3.85Å; Y576-F604 HydrophobicContact CD2-CE2 4.41Å; Y576-F604 AromaticContact CD2-CG 3.95Å; Y576-F604 HydrophobicContact CD2-CG 3.95Å; L579-F604 HydrophobicContact CD1-CE2 3.82Å; L579-F604 HydrophobicContact CD1-CZ 3.91Å; F600-F604 HydrophobicContact CD2-CE2 4.38Å; F600-F604 VanDerWaalsContact O-CD2 3.28Å; F600-F604 WeakPolarHBondContact O-CD2 3.06Å; H601-F604 PolarHBondContact O-N 2.89Å; H601-F604 VanDerWaalsContact O-N 3.17Å; E602-F604 PolarHBondContact O-N 3.37Å; E602-F604 VanDerWaalsContact O-N 3.17Å; F604-D606 VanDerWaalsContact C-N 3.25Å; F604-D606 PolarHBondContact O-N 2.93Å; F604-A607 PolarHBondContact O-N 3.38Å; F604-A607 VanDerWaalsContact O-N 3.08Å; F604-L608 PolarHBondContact O-N 3.03Å; F604-W611 HydrophobicContact CB-CH2 3.85Å; F604-W611 HydrophobicContact CB-CZ3 4.34Å; F604-W611 AromaticContact CD1-CH2 3.86Å; F604-W611 HydrophobicContact CD1-CH2 3.86Å; F604-W611 HydrophobicContact CD1-CZ2 4.27Å; F604-W611 HydrophobicContact CG-CH2 4.14Å
605	R	87.8	Confident	88	Confident	87 Å²	87	46.2 Å²	46.2	33%	0.328	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-56	-37.8	-178.4	-79.5	179.7	176.7	158.1	5.8	113	E602 A607 L608 P609 W667 E672	E602-R605 WeakPolarHBondContact O-CG 3.32Å; E602-R605 PolarHBondContact O-N 2.63Å; E602-R605 IonicContact OE1-CZ 2.97Å; E602-R605 IonicContact OE1-NH1 3.61Å; E602-R605 IonicContact OE1-NH2 3.96Å; E602-R605 PolarHBondContact OE1-NH2 3.16Å; R605-A607 VanDerWaalsContact C-N 3.31Å; R605-A607 PolarHBondContact O-N 2.73Å; R605-L608 WeakPolarHBondContact O-CB 3.48Å; R605-L608 PolarHBondContact O-N 2.98Å; R605-P609 WeakPolarHBondContact O-CD 3.1Å; R605-W667 HydrophobicContact CG-CZ2 4.1Å; R605-E672 IonicContact CZ-OE1 2.75Å; R605-E672 IonicContact CZ-OE2 2.72Å; R605-E672 IonicContact NE-OE1 3.47Å; R605-E672 PolarHBondContact NE-OE1 3Å; R605-E672 IonicContact NE-OE2 3.77Å; R605-E672 PolarHBondContact NE-OE2 2.93Å; R605-E672 IonicContact NH1-OE1 2.79Å; R605-E672 IonicContact NH2-OE1 3.65Å; R605-E672 PolarHBondContact NH2-OE1 3.44Å; R605-E672 VanDerWaalsContact NH2-OE1 3.16Å; R605-E672 IonicContact NH2-OE2 3.88Å
606	D	87.5	Confident	88.4	Confident	104 Å²	104	47 Å²	47	56%	0.556	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-71.4	-24.7	-179.6	-61.6	-29.1	0	0	0	113.5	M564 F604 Y610	M564-D606 HydrophobicContact CE-CB 4.16Å; F604-D606 VanDerWaalsContact C-N 3.25Å; F604-D606 PolarHBondContact O-N 2.93Å; D606-Y610 WeakPolarHBondContact O-CD2 3.46Å
607	A	89.1	Confident	88.8	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-81.7	-21.7	178.1	0	0	0	0	0	112.7	M564 S569 F604 R605 Y610 W611	M564-A607 HydrophobicContact CE-CB 4.2Å; M564-A607 HydrophobicContact SD-CB 4.1Å; S569-A607 PolarHBondContact OG-O 3.18Å; F604-A607 PolarHBondContact O-N 3.38Å; F604-A607 VanDerWaalsContact O-N 3.08Å; R605-A607 VanDerWaalsContact C-N 3.31Å; R605-A607 PolarHBondContact O-N 2.73Å; A607-Y610 WeakPolarHBondContact O-CB 3.29Å; A607-Y610 PolarHBondContact O-N 3.07Å; A607-W611 HydrophobicContact CB-CD2 4.41Å; A607-W611 HydrophobicContact CB-CH2 4.03Å; A607-W611 HydrophobicContact CB-CZ2 3.59Å; A607-W611 PolarHBondContact O-N 3.21Å
608	L	90.9	Very high	89	Confident	18 Å²	18	46.1 Å²	46.1	9%	0.094	24%	0.24	C	C	.	.	H	α-helix	trans	-59.9	-46	-173.3	-177.4	64.8	0	0	0	113.8	F604 R605 Y610 W611 L612 L665 W667 L676	F604-L608 PolarHBondContact O-N 3.03Å; R605-L608 WeakPolarHBondContact O-CB 3.48Å; R605-L608 PolarHBondContact O-N 2.98Å; L608-Y610 PolarHBondContact O-N 3.16Å; L608-W611 HydrophobicContact CD1-CE3 4.16Å; L608-W611 PolarHBondContact O-N 3.48Å; L608-L612 HydrophobicContact CG-CD1 4.29Å; L608-L612 WeakPolarHBondContact O-CG 3.5Å; L608-L612 PolarHBondContact O-N 2.78Å; L608-L612 VanDerWaalsContact O-N 3.09Å; L608-L665 HydrophobicContact CD1-CD1 3.88Å; L608-L665 HydrophobicContact CD1-CD2 4.21Å; L608-W667 HydrophobicContact CD1-CE3 4.35Å; L608-W667 HydrophobicContact CD1-CH2 4.49Å; L608-W667 HydrophobicContact CD1-CZ3 4.08Å; L608-W667 HydrophobicContact CD2-CH2 4.15Å; L608-W667 HydrophobicContact CD2-CZ2 4.11Å; L608-W667 HydrophobicContact CD2-CZ3 4.46Å; L608-L676 HydrophobicContact CD1-CD1 4.3Å; L608-L676 HydrophobicContact CD1-CD2 3.94Å; L608-L676 HydrophobicContact CD2-CD1 4.1Å; L608-L676 HydrophobicContact CD2-CD2 3.66Å; L608-L676 HydrophobicContact CD2-CG 4.27Å; L608-L676 HydrophobicContact CG-CD2 3.89Å
609	P	91.1	Very high	89.5	Confident	66 Å²	66	43.3 Å²	43.3	43%	0.429	22%	0.223	S	C	.	.	H	α-helix	trans	-59.7	-35.1	177.1	-23.6	34.9	0	0	0	113	R605 N613	R605-P609 WeakPolarHBondContact O-CD 3.1Å; P609-N613 VanDerWaalsContact O-CB 3.24Å; P609-N613 WeakPolarHBondContact O-CB 3.48Å; P609-N613 PolarHBondContact O-N 3.17Å; P609-N613 PolarHBondContact O-ND2 3.38Å
610	Y	90.8	Very high	90	Very high	85 Å²	85	42.4 Å²	42.4	33%	0.333	22%	0.216	S	C	.	.	H	α-helix	trans	-69.7	-39.1	178.3	-66.1	-79	0	0	0	112.1	M564 L566 S569 D606 A607 L608 Q614	M564-Y610 HydrophobicContact CB-CE2 4.08Å; M564-Y610 HydrophobicContact CG-CD2 3.84Å; M564-Y610 HydrophobicContact CG-CE2 3.57Å; M564-Y610 VanDerWaalsContact O-CZ 3.31Å; M564-Y610 PolarHBondContact O-OH 3.35Å; L566-Y610 HydrophobicContact CD1-CD1 4.45Å; S569-Y610 VanDerWaalsContact OG-CB 3.24Å; S569-Y610 WeakPolarHBondContact OG-CB 3.5Å; D606-Y610 WeakPolarHBondContact O-CD2 3.46Å; A607-Y610 WeakPolarHBondContact O-CB 3.29Å; A607-Y610 PolarHBondContact O-N 3.07Å; L608-Y610 PolarHBondContact O-N 3.16Å; Y610-Q614 WeakPolarHBondContact O-CB 3.45Å; Y610-Q614 PolarHBondContact O-N 2.97Å
611	W	92.5	Very high	90.1	Very high	13 Å²	13	45.6 Å²	45.6	5%	0.049	23%	0.234	C	C	.	.	H	α-helix	trans	-64.2	-44.6	174.9	-60.9	-25.9	0	0	0	112.1	S569 L572 F573 Y576 F604 A607 L608 Q614 A615 L665	S569-W611 PolarHBondContact O-NE1 3.19Å; S569-W611 PolarHBondContact OG-NE1 3.16Å; L572-W611 HydrophobicContact CB-CZ2 4.35Å; F573-W611 HydrophobicContact CB-CZ2 4.11Å; F573-W611 AromaticContact CD2-CD2 3.6Å; F573-W611 HydrophobicContact CD2-CD2 3.6Å; F573-W611 AromaticContact CD2-CE2 3.63Å; F573-W611 AromaticContact CD2-CE3 3.91Å; F573-W611 HydrophobicContact CD2-CE3 3.91Å; F573-W611 AromaticContact CD2-CG 4Å; F573-W611 HydrophobicContact CD2-CG 4Å; F573-W611 HydrophobicContact CD2-CH2 4.24Å; F573-W611 AromaticContact CD2-CZ2 3.98Å; F573-W611 HydrophobicContact CD2-CZ2 3.98Å; F573-W611 HydrophobicContact CD2-CZ3 4.21Å; F573-W611 AromaticContact CD2-NE1 4Å; F573-W611 HydrophobicContact CE2-CD2 4.24Å; F573-W611 HydrophobicContact CE2-CE3 4.25Å; F573-W611 HydrophobicContact CG-CD2 4.5Å; Y576-W611 HydrophobicContact CD2-CH2 4.28Å; Y576-W611 HydrophobicContact CD2-CZ3 4.43Å; Y576-W611 HydrophobicContact CG-CH2 4.06Å; Y576-W611 HydrophobicContact CG-CZ3 4.29Å; F604-W611 HydrophobicContact CB-CH2 3.85Å; F604-W611 HydrophobicContact CB-CZ3 4.34Å; F604-W611 AromaticContact CD1-CH2 3.86Å; F604-W611 HydrophobicContact CD1-CH2 3.86Å; F604-W611 HydrophobicContact CD1-CZ2 4.27Å; F604-W611 HydrophobicContact CG-CH2 4.14Å; A607-W611 HydrophobicContact CB-CD2 4.41Å; A607-W611 HydrophobicContact CB-CH2 4.03Å; A607-W611 HydrophobicContact CB-CZ2 3.59Å; A607-W611 PolarHBondContact O-N 3.21Å; L608-W611 HydrophobicContact CD1-CE3 4.16Å; L608-W611 PolarHBondContact O-N 3.48Å; W611-Q614 PolarHBondContact O-N 2.88Å; W611-A615 PolarHBondContact O-N 2.78Å; W611-L665 HydrophobicContact CE3-CD2 3.82Å; W611-L665 HydrophobicContact CZ3-CD2 3.99Å
612	L	91.4	Very high	90.4	Very high	13 Å²	13	50.7 Å²	50.7	7%	0.068	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-48.4	176.8	-62	171.3	0	0	0	111	L608 Q614 A615 F616 L661 L665 L676 K679 L680	L608-L612 HydrophobicContact CG-CD1 4.29Å; L608-L612 WeakPolarHBondContact O-CG 3.5Å; L608-L612 PolarHBondContact O-N 2.78Å; L608-L612 VanDerWaalsContact O-N 3.09Å; L612-Q614 PolarHBondContact O-N 3.28Å; L612-A615 PolarHBondContact O-N 3.17Å; L612-F616 WeakPolarHBondContact O-CB 3.44Å; L612-F616 PolarHBondContact O-N 2.97Å; L612-L661 HydrophobicContact CD2-CD2 4.08Å; L612-L665 HydrophobicContact CD2-CD1 4.46Å; L612-L676 HydrophobicContact CD1-CD2 3.56Å; L612-L676 HydrophobicContact CD2-CD2 4.24Å; L612-L676 HydrophobicContact CG-CD2 4.42Å; L612-K679 HydrophobicContact CD1-CG 4.3Å; L612-L680 HydrophobicContact CD2-CD2 3.53Å; L612-L680 HydrophobicContact CD2-CG 4.2Å
613	N	90.9	Very high	90.6	Very high	86 Å²	86	46.8 Å²	46.8	46%	0.46	23%	0.234	S	C	.	.	H	α-helix	trans	-63.7	-39.5	178.9	-74.9	-24.5	0	0	0	112.1	P609 F616 S617	P609-N613 VanDerWaalsContact O-CB 3.24Å; P609-N613 WeakPolarHBondContact O-CB 3.48Å; P609-N613 PolarHBondContact O-N 3.17Å; P609-N613 PolarHBondContact O-ND2 3.38Å; N613-F616 PolarHBondContact O-N 2.97Å; N613-S617 WeakPolarHBondContact O-CB 3.25Å; N613-S617 PolarHBondContact O-N 3.13Å
614	Q	89.7	Confident	90.9	Very high	55 Å²	55	45.8 Å²	45.8	26%	0.257	23%	0.23	S	C	.	.	H	α-helix	trans	-62.9	-44	175.5	179.8	66.6	50.1	0	0	111.2	L566 Y610 W611 L612 T618	L566-Q614 HydrophobicContact CD1-CB 4.25Å; Y610-Q614 WeakPolarHBondContact O-CB 3.45Å; Y610-Q614 PolarHBondContact O-N 2.97Å; W611-Q614 PolarHBondContact O-N 2.88Å; L612-Q614 PolarHBondContact O-N 3.28Å; Q614-T618 PolarHBondContact NE2-OG1 3.01Å; Q614-T618 WeakPolarHBondContact O-CB 3.43Å; Q614-T618 PolarHBondContact O-N 2.77Å; Q614-T618 PolarHBondContact O-OG1 2.85Å
615	A	90.3	Very high	90.9	Very high	18 Å²	18	51.9 Å²	51.9	15%	0.149	25%	0.253	C	S	.	.	H	α-helix	trans	-64.4	-42.6	176.8	0	0	0	0	0	111.6	W611 L612 T619 I658 L661	W611-A615 PolarHBondContact O-N 2.78Å; L612-A615 PolarHBondContact O-N 3.17Å; A615-T619 WeakPolarHBondContact O-CB 3.4Å; A615-T619 PolarHBondContact O-N 3.46Å; A615-T619 PolarHBondContact O-OG1 3.01Å; A615-I658 HydrophobicContact CB-CG1 4.45Å; A615-L661 HydrophobicContact CB-CD2 3.62Å
616	F	92.4	Very high	91.1	Very high	37 Å²	37	48.1 Å²	48.1	16%	0.162	24%	0.24	C	C	.	.	H	α-helix	trans	-61	-54.9	175	176.3	-100.5	0	0	0	112.1	L612 N613 T618 T619 Q620 D683 K686 I687	L612-F616 WeakPolarHBondContact O-CB 3.44Å; L612-F616 PolarHBondContact O-N 2.97Å; N613-F616 PolarHBondContact O-N 2.97Å; F616-T618 PolarHBondContact O-N 3.15Å; F616-T619 PolarHBondContact O-N 2.86Å; F616-Q620 VanDerWaalsContact CE1-OE1 3.23Å; F616-Q620 WeakPolarHBondContact O-CB 3.49Å; F616-Q620 PolarHBondContact O-N 3.18Å; F616-D683 HydrophobicContact CD2-CB 3.64Å; F616-D683 HydrophobicContact CE2-CB 4.19Å; F616-K686 HydrophobicContact CE2-CB 4.16Å; F616-K686 HydrophobicContact CZ-CB 4.47Å; F616-I687 HydrophobicContact CD2-CD1 3.75Å; F616-I687 HydrophobicContact CD2-CG1 3.98Å; F616-I687 HydrophobicContact CE2-CD1 4.01Å; F616-I687 HydrophobicContact CE2-CG1 3.7Å
617	S	91.3	Very high	91.3	Very high	48 Å²	48	43.3 Å²	43.3	34%	0.336	22%	0.215	S	C	.	.	H	α-helix	trans	-62.4	-44.4	-178.4	128.6	0	0	0	0	111.6	N613 T619 Q620 D621	N613-S617 WeakPolarHBondContact O-CB 3.25Å; N613-S617 PolarHBondContact O-N 3.13Å; S617-T619 VanDerWaalsContact C-N 3.27Å; S617-T619 PolarHBondContact O-N 3.24Å; S617-Q620 PolarHBondContact O-N 3.21Å; S617-D621 WeakPolarHBondContact O-CB 3.41Å; S617-D621 VanDerWaalsContact O-CG 3.26Å; S617-D621 PolarHBondContact O-N 3.11Å
618	T	90.2	Very high	91.3	Very high	41 Å²	41	49 Å²	49	25%	0.252	24%	0.241	S	C	.	.	H	α-helix	trans	-62.3	-40.1	179.4	-53.4	0	0	0	0	110.7	Q614 F616 R622	Q614-T618 PolarHBondContact NE2-OG1 3.01Å; Q614-T618 WeakPolarHBondContact O-CB 3.43Å; Q614-T618 PolarHBondContact O-N 2.77Å; Q614-T618 PolarHBondContact O-OG1 2.85Å; F616-T618 PolarHBondContact O-N 3.15Å; T618-R622 VanDerWaalsContact O-CG 3.25Å; T618-R622 WeakPolarHBondContact O-CG 3.48Å; T618-R622 PolarHBondContact O-N 3.27Å; T618-R622 VanDerWaalsContact O-N 3.12Å
619	T	92.6	Very high	91.2	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.012	27%	0.267	C	S	.	.	H	α-helix	trans	-66.7	-47.2	176.4	-59.5	0	0	0	0	110.8	A615 F616 S617 D621 R622 V623 C654 I658 I687	A615-T619 WeakPolarHBondContact O-CB 3.4Å; A615-T619 PolarHBondContact O-N 3.46Å; A615-T619 PolarHBondContact O-OG1 3.01Å; F616-T619 PolarHBondContact O-N 2.86Å; S617-T619 VanDerWaalsContact C-N 3.27Å; S617-T619 PolarHBondContact O-N 3.24Å; T619-D621 PolarHBondContact O-N 3.48Å; T619-R622 PolarHBondContact O-N 3.13Å; T619-V623 HydrophobicContact CG2-CG2 4.44Å; T619-V623 WeakPolarHBondContact O-CG2 3.44Å; T619-V623 PolarHBondContact O-N 3.33Å; T619-C654 HydrophobicContact CG2-CB 4.13Å; T619-C654 WeakPolarHBondContact CG2-O 3.33Å; T619-C654 PolarHBondContact OG1-O 2.77Å; T619-I658 HydrophobicContact CG2-CD1 4.09Å; T619-I687 HydrophobicContact CG2-CD1 3.59Å; T619-I687 HydrophobicContact CG2-CG1 4.43Å; T619-I687 HydrophobicContact CG2-CG2 4.29Å
620	Q	92	Very high	91.1	Very high	60 Å²	60	50.1 Å²	50.1	28%	0.28	25%	0.248	S	C	.	.	H	α-helix	trans	-59.3	-45.1	178.8	-171.8	172.4	24.2	0	0	111.6	F616 S617 R622 V623 V624 N690	F616-Q620 VanDerWaalsContact CE1-OE1 3.23Å; F616-Q620 WeakPolarHBondContact O-CB 3.49Å; F616-Q620 PolarHBondContact O-N 3.18Å; S617-Q620 PolarHBondContact O-N 3.21Å; Q620-R622 VanDerWaalsContact C-N 3.33Å; Q620-R622 PolarHBondContact O-N 3.48Å; Q620-V623 PolarHBondContact O-N 2.88Å; Q620-V624 WeakPolarHBondContact O-CG2 3.4Å; Q620-V624 PolarHBondContact O-N 3.41Å; Q620-N690 PolarHBondContact NE2-ND2 3.46Å
621	D	91.4	Very high	90.8	Very high	75 Å²	75	52 Å²	52	40%	0.401	26%	0.259	S	S	.	.	H	α-helix	trans	-63.4	-38.2	177.3	-73.2	-20.1	0	0	0	112.4	S617 T619 R625	S617-D621 WeakPolarHBondContact O-CB 3.41Å; S617-D621 VanDerWaalsContact O-CG 3.26Å; S617-D621 PolarHBondContact O-N 3.11Å; T619-D621 PolarHBondContact O-N 3.48Å; D621-R625 WeakPolarHBondContact O-CG 3.26Å; D621-R625 PolarHBondContact O-N 3.07Å
622	R	91.8	Very high	90.4	Very high	117 Å²	117	51.6 Å²	51.6	44%	0.442	26%	0.258	S	S	.	.	H	α-helix	trans	-66.3	-41.5	175	-73.7	175.7	179.2	-164.7	0.2	111.4	T618 T619 Q620 R625 A626 C654	T618-R622 VanDerWaalsContact O-CG 3.25Å; T618-R622 WeakPolarHBondContact O-CG 3.48Å; T618-R622 PolarHBondContact O-N 3.27Å; T618-R622 VanDerWaalsContact O-N 3.12Å; T619-R622 PolarHBondContact O-N 3.13Å; Q620-R622 VanDerWaalsContact C-N 3.33Å; Q620-R622 PolarHBondContact O-N 3.48Å; R622-R625 PolarHBondContact O-N 3.48Å; R622-A626 WeakPolarHBondContact O-CB 3.2Å; R622-A626 PolarHBondContact O-N 3.38Å; R622-C654 HydrophobicContact CB-CB 4.49Å; R622-C654 VanDerWaalsContact CB-SG 3.51Å
623	V	92.9	Very high	90	Very high	1 Å²	1	57 Å²	57	1%	0.006	28%	0.283	C	S	.	.	H	α-helix	trans	-63.7	-44.3	176.4	171.9	0	0	0	0	111.3	T619 Q620 R625 A626 V627 L651 C654 I687 Y691	T619-V623 HydrophobicContact CG2-CG2 4.44Å; T619-V623 WeakPolarHBondContact O-CG2 3.44Å; T619-V623 PolarHBondContact O-N 3.33Å; Q620-V623 PolarHBondContact O-N 2.88Å; V623-R625 VanDerWaalsContact C-N 3.35Å; V623-R625 PolarHBondContact O-N 3.47Å; V623-A626 PolarHBondContact O-N 3.21Å; V623-V627 WeakPolarHBondContact O-CG2 3.36Å; V623-V627 PolarHBondContact O-N 3.1Å; V623-L651 HydrophobicContact CB-CD1 4.44Å; V623-L651 HydrophobicContact CG1-CD1 4.03Å; V623-L651 HydrophobicContact CG2-CD1 3.47Å; V623-L651 VanDerWaalsContact CG2-CD1 3.47Å; V623-C654 HydrophobicContact CG2-CB 3.73Å; V623-I687 HydrophobicContact CB-CG2 4.49Å; V623-I687 HydrophobicContact CG2-CG2 3.82Å; V623-Y691 HydrophobicContact CG1-CD2 3.79Å; V623-Y691 HydrophobicContact CG1-CG 4.39Å
624	V	92.8	Very high	89.5	Confident	36 Å²	36	54.5 Å²	54.5	22%	0.218	27%	0.272	C	S	.	.	H	α-helix	trans	-57.8	-48.2	175.2	170.7	0	0	0	0	110.8	Q620 V627 Q628 L694	Q620-V624 WeakPolarHBondContact O-CG2 3.4Å; Q620-V624 PolarHBondContact O-N 3.41Å; V624-V627 PolarHBondContact O-N 3.24Å; V624-Q628 HydrophobicContact CG1-CG 4.46Å; V624-Q628 WeakPolarHBondContact O-CB 3.44Å; V624-Q628 VanDerWaalsContact O-CG 3.24Å; V624-Q628 WeakPolarHBondContact O-CG 3.46Å; V624-Q628 PolarHBondContact O-N 3.43Å; V624-L694 HydrophobicContact CB-CD1 4.44Å; V624-L694 HydrophobicContact CG2-CD1 3.76Å
625	R	90.6	Very high	88.7	Confident	128 Å²	128	54.3 Å²	54.3	48%	0.483	27%	0.272	S	S	.	.	H	α-helix	trans	-63	-42.5	177.7	-74.9	-173.5	-66.6	-90.5	-4.4	112.4	D621 R622 V623 V627 Q628 V629	D621-R625 WeakPolarHBondContact O-CG 3.26Å; D621-R625 PolarHBondContact O-N 3.07Å; R622-R625 PolarHBondContact O-N 3.48Å; V623-R625 VanDerWaalsContact C-N 3.35Å; V623-R625 PolarHBondContact O-N 3.47Å; R625-V627 VanDerWaalsContact C-N 3.35Å; R625-V627 PolarHBondContact O-N 2.94Å; R625-Q628 PolarHBondContact O-N 3.4Å; R625-V629 WeakPolarHBondContact O-CG2 3.39Å; R625-V629 PolarHBondContact O-N 3.22Å; R625-V629 VanDerWaalsContact O-N 3.11Å
626	A	91.4	Very high	87.4	Confident	7 Å²	7	61.9 Å²	61.9	6%	0.058	30%	0.304	C	S	.	.	H	α-helix	trans	-60.1	-43.1	179.7	0	0	0	0	0	111.9	R622 V623 V629 D630 D650	R622-A626 WeakPolarHBondContact O-CB 3.2Å; R622-A626 PolarHBondContact O-N 3.38Å; V623-A626 PolarHBondContact O-N 3.21Å; A626-V629 WeakPolarHBondContact O-CG2 3.49Å; A626-D630 PolarHBondContact O-N 3.11Å; A626-D650 HydrophobicContact CB-CB 3.86Å
627	V	92.1	Very high	85.4	Confident	4 Å²	4	65.5 Å²	65.5	2%	0.024	33%	0.329	C	S	.	.	H	α-helix	trans	-70.9	-35.2	176.6	179	0	0	0	0	112.1	V623 V624 R625 D630 Y691 L694 R698	V623-V627 WeakPolarHBondContact O-CG2 3.36Å; V623-V627 PolarHBondContact O-N 3.1Å; V624-V627 PolarHBondContact O-N 3.24Å; R625-V627 VanDerWaalsContact C-N 3.35Å; R625-V627 PolarHBondContact O-N 2.94Å; V627-D630 WeakPolarHBondContact O-CB 3.33Å; V627-D630 PolarHBondContact O-N 2.79Å; V627-Y691 HydrophobicContact CG2-CD2 3.38Å; V627-Y691 HydrophobicContact CG2-CE2 3.36Å; V627-L694 HydrophobicContact CB-CB 4.37Å; V627-L694 HydrophobicContact CG1-CB 3.95Å; V627-L694 HydrophobicContact CG2-CB 4.39Å; V627-R698 HydrophobicContact CG1-CB 4.06Å; V627-R698 HydrophobicContact CG1-CG 4.35Å
628	Q	88.5	Confident	83.8	Confident	119 Å²	119	66.3 Å²	66.3	56%	0.556	35%	0.345	S	S	*	.	H	α-helix	trans	-65.5	-39.2	179.7	-78.5	173.8	-8.2	0	0	113.1	V624 R625 D630 R698	V624-Q628 HydrophobicContact CG1-CG 4.46Å; V624-Q628 WeakPolarHBondContact O-CB 3.44Å; V624-Q628 VanDerWaalsContact O-CG 3.24Å; V624-Q628 WeakPolarHBondContact O-CG 3.46Å; V624-Q628 PolarHBondContact O-N 3.43Å; R625-Q628 PolarHBondContact O-N 3.4Å; Q628-D630 VanDerWaalsContact C-N 3.3Å; Q628-R698 PolarHBondContact O-NH2 3.24Å; Q628-R698 VanDerWaalsContact O-NH2 3.12Å
629	V	88	Confident	82.1	Confident	104 Å²	104	69.8 Å²	69.8	63%	0.63	38%	0.378	S	S	*	.	H	α-helix	trans	-80.7	-14.3	179.1	-59.6	0	0	0	0	112.8	R625 A626	R625-V629 WeakPolarHBondContact O-CG2 3.39Å; R625-V629 PolarHBondContact O-N 3.22Å; R625-V629 VanDerWaalsContact O-N 3.11Å; A626-V629 WeakPolarHBondContact O-CG2 3.49Å
630	D	88.7	Confident	80.6	Confident	4 Å²	4	75.1 Å²	75.1	2%	0.021	41%	0.41	C	S	.	.			trans	-69.4	134.5	-177.4	-162.4	-3.6	0	0	0	112.1	A626 V627 Q628 L632 S645 S647 R698	A626-D630 PolarHBondContact O-N 3.11Å; V627-D630 WeakPolarHBondContact O-CB 3.33Å; V627-D630 PolarHBondContact O-N 2.79Å; Q628-D630 VanDerWaalsContact C-N 3.3Å; D630-L632 PolarHBondContact OD1-N 3.45Å; D630-S645 WeakPolarHBondContact OD2-CB 3.43Å; D630-S645 PolarHBondContact OD2-OG 2.92Å; D630-S647 WeakPolarHBondContact OD2-CB 2.79Å; D630-S647 PolarHBondContact OD2-OG 2.85Å; D630-R698 PolarHBondContact O-NE 3.43Å; D630-R698 PolarHBondContact O-NH2 3.39Å
631	Q	84.4	Confident	79.3	Confident	125 Å²	125	76.8 Å²	76.8	58%	0.584	43%	0.426	S	S	*	.			trans	-100.4	3.6	174.6	-61.3	-170.9	11.2	0	0	112.4	Q633	Q631-Q633 VanDerWaalsContact C-N 3.33Å; Q631-Q633 HydrophobicContact CB-CG 4.44Å; Q631-Q633 PolarHBondContact O-N 2.76Å
632	L	85	Confident	78.6	Confident	3 Å²	3	76 Å²	76	2%	0.016	42%	0.422	C	S	.	.			trans	56.6	44.4	179.7	-56.3	175.9	0	0	0	112.6	D630 L695 R698 V699 L702 M714 V717 V718	D630-L632 PolarHBondContact OD1-N 3.45Å; L632-L695 HydrophobicContact CD2-CD2 4.37Å; L632-L695 HydrophobicContact CD2-CG 4.45Å; L632-R698 HydrophobicContact CD1-CG 4.35Å; L632-V699 HydrophobicContact CD1-CB 4.32Å; L632-V699 HydrophobicContact CD1-CG2 3.46Å; L632-V699 VanDerWaalsContact CD1-CG2 3.46Å; L632-L702 HydrophobicContact CD1-CD1 3.96Å; L632-L702 HydrophobicContact CG-CD1 4.2Å; L632-M714 HydrophobicContact CB-CB 4.39Å; L632-M714 HydrophobicContact CB-CG 4.3Å; L632-M714 HydrophobicContact CD1-CB 4.47Å; L632-V717 WeakPolarHBondContact O-CG2 3.07Å; L632-V718 HydrophobicContact CD1-CG2 4.07Å; L632-V718 HydrophobicContact CD2-CG2 4.3Å
633	Q	82.8	Confident	78.1	Confident	126 Å²	126	73.2 Å²	73.2	59%	0.589	41%	0.413	S	S	*	.			trans	-110.3	145.2	174.7	-66.4	-169.7	-12.1	0	0	110.4	Q631	Q631-Q633 VanDerWaalsContact C-N 3.33Å; Q631-Q633 HydrophobicContact CB-CG 4.44Å; Q631-Q633 PolarHBondContact O-N 2.76Å
634	P	79.8	Confident	77.7	Confident	35 Å²	35	74.8 Å²	74.8	23%	0.227	42%	0.42	C	S	.	.			trans	-68.4	142.6	178.2	29.5	-33.9	0	0	0	111	Q636 V717	P634-Q636 PolarHBondContact O-N 3.02Å; P634-Q636 VanDerWaalsContact O-N 3.13Å; P634-V717 HydrophobicContact CB-CG2 4.48Å
635	L	74.3	Confident	77.6	Confident	50 Å²	50	73.1 Å²	73.1	26%	0.262	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-76.5	98.4	176.4	-72.4	167.5	0	0	0	110.6	V637 I642 H644 V649	L635-V637 PolarHBondContact O-N 3.23Å; L635-I642 HydrophobicContact CB-CB 4.06Å; L635-I642 HydrophobicContact CB-CG2 4.13Å; L635-I642 HydrophobicContact CD1-CG2 4.34Å; L635-I642 PolarHBondContact N-O 3.17Å; L635-I642 WeakPolarHBondContact O-CB 3.27Å; L635-H644 PolarHBondContact N-O 3.37Å; L635-V649 HydrophobicContact CD1-CG2 3.7Å
636	Q	63.2	Low	77.5	Confident	177 Å²	177	69 Å²	69	83%	0.827	40%	0.4	S	S	*	.			trans	-79.1	41.4	178.1	-62.6	-170.8	-4.6	0	0	113.8	P634	P634-Q636 PolarHBondContact O-N 3.02Å; P634-Q636 VanDerWaalsContact O-N 3.13Å
637	V	50.6	Low	77.4	Confident	114 Å²	114	68.6 Å²	68.6	69%	0.691	40%	0.397	S	S	*	.			trans	-108.2	103.4	-176.8	-173.4	0	0	0	0	110.4	L635	L635-V637 PolarHBondContact O-N 3.23Å
638	G	56.2	Low	77.3	Confident	65 Å²	65	68.5 Å²	68.5	67%	0.67	40%	0.397	S	S	*	.	S	Bend	trans	123.7	-179.7	169.5	0	0	0	0	0	115.7	V640	G638-V640 VanDerWaalsContact C-N 3.31Å
639	A	54.8	Low	77.2	Confident	113 Å²	113	65.7 Å²	65.7	93%	0.934	39%	0.388	S	S	*	.	S	Bend	trans	-75.3	-16.4	-179.6	0	0	0	0	0	114
640	V	62	Low	77.2	Confident	115 Å²	115	64 Å²	64	70%	0.697	38%	0.375	S	S	*	.	S	Bend	trans	-117.4	121.7	172.5	-179.3	0	0	0	0	107.5	G638 I642	G638-V640 VanDerWaalsContact C-N 3.31Å; V640-I642 PolarHBondContact O-N 2.81Å
641	P	64.8	Low	77.1	Confident	95 Å²	95	63.9 Å²	63.9	62%	0.617	37%	0.374	S	S	*	.			trans	-67.9	122.8	-176.7	25.7	-32.2	0	0	0	110.7	K643	P641-K643 PolarHBondContact O-N 3.35Å
642	I	75.6	Confident	77.1	Confident	59 Å²	59	59.5 Å²	59.5	30%	0.303	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-81.4	108.7	172.8	-61.5	176	0	0	0	107.4	L635 V640 H644	L635-I642 HydrophobicContact CB-CB 4.06Å; L635-I642 HydrophobicContact CB-CG2 4.13Å; L635-I642 HydrophobicContact CD1-CG2 4.34Å; L635-I642 PolarHBondContact N-O 3.17Å; L635-I642 WeakPolarHBondContact O-CB 3.27Å; V640-I642 PolarHBondContact O-N 2.81Å; I642-H644 VanDerWaalsContact C-N 3.3Å; I642-H644 WeakPolarHBondContact CG2-CE1 3.29Å; I642-H644 VanDerWaalsContact CG2-NE2 3.33Å; I642-H644 WeakPolarHBondContact CG2-NE2 3.25Å; I642-H644 PolarHBondContact O-N 3.48Å
643	K	82	Confident	77.2	Confident	58 Å²	58	62.1 Å²	62.1	25%	0.252	38%	0.378	S	S	.	.			trans	-79.8	-7.1	-173.4	-52.2	-169.3	-177.1	-161.1	0	114.6	P641 N720 N825 E826 L828	P641-K643 PolarHBondContact O-N 3.35Å; K643-N720 WeakPolarHBondContact CB-ND2 3.31Å; K643-N720 WeakPolarHBondContact O-CB 3.13Å; K643-N720 PolarHBondContact O-ND2 3.49Å; K643-N825 PolarHBondContact NZ-O 3.14Å; K643-E826 WeakPolarHBondContact CE-O 3.19Å; K643-E826 PolarHBondContact NZ-O 2.98Å; K643-L828 PolarHBondContact NZ-O 3.33Å
644	H	85.2	Confident	77.5	Confident	34 Å²	34	56.6 Å²	56.6	16%	0.157	35%	0.354	C	S	.	.	S	Bend	trans	-101.3	161.6	177.9	52.3	-94.9	0	0	0	111.3	L635 I642 A648 N720 D721 H724	L635-H644 PolarHBondContact N-O 3.37Å; I642-H644 VanDerWaalsContact C-N 3.3Å; I642-H644 WeakPolarHBondContact CG2-CE1 3.29Å; I642-H644 VanDerWaalsContact CG2-NE2 3.33Å; I642-H644 WeakPolarHBondContact CG2-NE2 3.25Å; I642-H644 PolarHBondContact O-N 3.48Å; H644-A648 HydrophobicContact CB-CB 4.07Å; H644-N720 HydrophobicContact CB-CB 4.28Å; H644-D721 WeakPolarHBondContact CA-OD1 3.27Å; H644-D721 WeakPolarHBondContact CB-OD1 3.1Å; H644-H724 AromaticContact CE1-CE1 3.75Å; H644-H724 AromaticContact CE1-CG 3.97Å; H644-H724 AromaticContact CE1-ND1 3.48Å; H644-H724 PolarHBondContact CE1-ND1 3.05Å; H644-H724 AromaticContact ND1-ND1 3.88Å; H644-H724 AromaticContact NE2-CE1 3.82Å; H644-H724 AromaticContact NE2-ND1 3.88Å
645	S	89.3	Confident	77.9	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	34%	0.343	C	S	.	.			trans	-76.2	172.5	-178.1	70	0	0	0	0	113.1	D630 S647 A648 D721	D630-S645 WeakPolarHBondContact OD2-CB 3.43Å; D630-S645 PolarHBondContact OD2-OG 2.92Å; S645-S647 VanDerWaalsContact C-N 3.29Å; S645-S647 PolarHBondContact O-N 3.34Å; S645-S647 PolarHBondContact OG-N 3.44Å; S645-S647 PolarHBondContact OG-OG 3.47Å; S645-S647 VanDerWaalsContact OG-OG 3.09Å; S645-A648 PolarHBondContact O-N 3.37Å; S645-D721 WeakPolarHBondContact CB-OD2 3.35Å; S645-D721 PolarHBondContact N-OD1 3.21Å; S645-D721 PolarHBondContact OG-OD1 3.38Å; S645-D721 PolarHBondContact OG-OD2 3.16Å
646	S	88.5	Confident	78.6	Confident	41 Å²	41	55.4 Å²	55.4	29%	0.287	34%	0.344	S	S	.	.	H	α-helix	trans	-62.3	-34.1	171.6	54.1	0	0	0	0	112.9	A648 V649 D650	S646-A648 VanDerWaalsContact C-N 3.3Å; S646-A648 PolarHBondContact O-N 3.12Å; S646-V649 PolarHBondContact O-N 3.37Å; S646-D650 WeakPolarHBondContact O-CB 3.42Å; S646-D650 VanDerWaalsContact O-CG 3.29Å; S646-D650 PolarHBondContact O-N 3.08Å
647	S	90.7	Very high	79.8	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-67.7	-31.7	-177.8	72.3	0	0	0	0	112.8	D630 S645 L651 Y691	D630-S647 WeakPolarHBondContact OD2-CB 2.79Å; D630-S647 PolarHBondContact OD2-OG 2.85Å; S645-S647 VanDerWaalsContact C-N 3.29Å; S645-S647 PolarHBondContact O-N 3.34Å; S645-S647 PolarHBondContact OG-N 3.44Å; S645-S647 PolarHBondContact OG-OG 3.47Å; S645-S647 VanDerWaalsContact OG-OG 3.09Å; S647-L651 VanDerWaalsContact O-CB 3.31Å; S647-L651 WeakPolarHBondContact O-CB 3.37Å; S647-L651 PolarHBondContact O-N 3.35Å; S647-Y691 PolarHBondContact OG-OH 3.21Å
648	A	88.6	Confident	81.7	Confident	2 Å²	2	44 Å²	44	2%	0.017	29%	0.287	C	S	.	.	H	α-helix	trans	-67.4	-39.2	175.3	0	0	0	0	0	112.2	H644 S645 S646 Y691 D721	H644-A648 HydrophobicContact CB-CB 4.07Å; S645-A648 PolarHBondContact O-N 3.37Å; S646-A648 VanDerWaalsContact C-N 3.3Å; S646-A648 PolarHBondContact O-N 3.12Å; A648-Y691 WeakPolarHBondContact CA-OH 3.42Å; A648-Y691 PolarHBondContact N-OH 2.82Å; A648-D721 HydrophobicContact CB-CB 3.95Å
649	V	87	Confident	83.3	Confident	59 Å²	59	41 Å²	41	36%	0.358	26%	0.256	S	S	.	.	H	α-helix	trans	-68.5	-46.9	174.5	-178.4	0	0	0	0	110.5	L635 S646 L651 V652 A653	L635-V649 HydrophobicContact CD1-CG2 3.7Å; S646-V649 PolarHBondContact O-N 3.37Å; V649-L651 PolarHBondContact O-N 2.92Å; V649-V652 PolarHBondContact O-N 3.36Å; V649-V652 VanDerWaalsContact O-N 3.14Å; V649-A653 PolarHBondContact O-N 2.93Å
650	D	87.1	Confident	84.9	Confident	68 Å²	68	40 Å²	40	36%	0.364	23%	0.232	S	C	.	.	H	α-helix	trans	-60	-36.4	179	-74.3	-20.3	0	0	0	111.5	A626 S646 V652 A653 C654	A626-D650 HydrophobicContact CB-CB 3.86Å; S646-D650 WeakPolarHBondContact O-CB 3.42Å; S646-D650 VanDerWaalsContact O-CG 3.29Å; S646-D650 PolarHBondContact O-N 3.08Å; D650-V652 VanDerWaalsContact C-N 3.34Å; D650-V652 PolarHBondContact O-N 3.23Å; D650-A653 CarbonylContact O-C 3.58Å; D650-A653 WeakPolarHBondContact O-CB 3.43Å; D650-A653 PolarHBondContact O-N 3.24Å; D650-C654 WeakPolarHBondContact O-CB 3.43Å; D650-C654 PolarHBondContact O-N 3.37Å; D650-C654 PolarHBondContact O-SG 3.18Å
651	L	86.7	Confident	86.3	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-59.4	-42.2	176.5	177.7	62.6	0	0	0	112.4	V623 S647 V649 A653 C654 I655 I687 Y691 L725	V623-L651 HydrophobicContact CB-CD1 4.44Å; V623-L651 HydrophobicContact CG1-CD1 4.03Å; V623-L651 HydrophobicContact CG2-CD1 3.47Å; V623-L651 VanDerWaalsContact CG2-CD1 3.47Å; S647-L651 VanDerWaalsContact O-CB 3.31Å; S647-L651 WeakPolarHBondContact O-CB 3.37Å; S647-L651 PolarHBondContact O-N 3.35Å; V649-L651 PolarHBondContact O-N 2.92Å; L651-A653 VanDerWaalsContact C-N 3.32Å; L651-A653 PolarHBondContact O-N 3.07Å; L651-C654 WeakPolarHBondContact O-CB 3.36Å; L651-C654 PolarHBondContact O-N 2.74Å; L651-C654 VanDerWaalsContact O-N 3.16Å; L651-I655 HydrophobicContact CD1-CD1 4.12Å; L651-I655 HydrophobicContact CD1-CG1 4.39Å; L651-I655 HydrophobicContact CG-CD1 4.17Å; L651-I655 WeakPolarHBondContact O-CG1 3.44Å; L651-I655 PolarHBondContact O-N 3.47Å; L651-I687 HydrophobicContact CD1-CG2 4.16Å; L651-Y691 HydrophobicContact CB-CE2 4.39Å; L651-Y691 HydrophobicContact CD1-CD2 4.37Å; L651-Y691 HydrophobicContact CD1-CG 4.47Å; L651-Y691 HydrophobicContact CD2-CD1 3.6Å; L651-Y691 HydrophobicContact CD2-CD2 3.89Å; L651-Y691 HydrophobicContact CD2-CE1 3.78Å; L651-Y691 HydrophobicContact CD2-CE2 4.06Å; L651-Y691 HydrophobicContact CD2-CG 3.64Å; L651-L725 HydrophobicContact CD2-CD1 3.38Å; L651-L725 HydrophobicContact CD2-CD2 3.51Å; L651-L725 HydrophobicContact CD2-CG 3.99Å; L651-L725 HydrophobicContact CG-CD1 4.2Å
652	V	85	Confident	87.6	Confident	34 Å²	34	31.3 Å²	31.3	21%	0.206	18%	0.175	C	C	.	.	H	α-helix	trans	-61	-45.8	175.8	-179.3	0	0	0	0	110.1	V649 D650 C654 I655 Q656 V728	V649-V652 PolarHBondContact O-N 3.36Å; V649-V652 VanDerWaalsContact O-N 3.14Å; D650-V652 VanDerWaalsContact C-N 3.34Å; D650-V652 PolarHBondContact O-N 3.23Å; V652-C654 VanDerWaalsContact C-N 3.3Å; V652-C654 PolarHBondContact O-N 3.06Å; V652-I655 PolarHBondContact O-N 3.29Å; V652-Q656 WeakPolarHBondContact O-CG 3.29Å; V652-Q656 PolarHBondContact O-N 3.11Å; V652-V728 HydrophobicContact CG2-CB 4.48Å; V652-V728 HydrophobicContact CG2-CG1 4.27Å; V652-V728 HydrophobicContact CG2-CG2 3.44Å; V652-V728 VanDerWaalsContact CG2-CG2 3.44Å
653	A	87.2	Confident	88.3	Confident	58 Å²	58	33.8 Å²	33.8	48%	0.479	19%	0.185	S	C	.	.	H	α-helix	trans	-65	-32.4	175.8	0	0	0	0	0	112.6	V649 D650 L651 Q656 P657	V649-A653 PolarHBondContact O-N 2.93Å; D650-A653 CarbonylContact O-C 3.58Å; D650-A653 WeakPolarHBondContact O-CB 3.43Å; D650-A653 PolarHBondContact O-N 3.24Å; L651-A653 VanDerWaalsContact C-N 3.32Å; L651-A653 PolarHBondContact O-N 3.07Å; A653-Q656 PolarHBondContact O-N 3.36Å; A653-P657 WeakPolarHBondContact O-CD 3.35Å
654	C	88.5	Confident	88.7	Confident	10 Å²	10	35.1 Å²	35.1	7%	0.068	19%	0.192	C	C	.	.	H	α-helix	trans	-69.9	-34.3	177.1	-71	0	0	0	0	112.3	T619 R622 V623 D650 L651 V652 P657	T619-C654 HydrophobicContact CG2-CB 4.13Å; T619-C654 WeakPolarHBondContact CG2-O 3.33Å; T619-C654 PolarHBondContact OG1-O 2.77Å; R622-C654 HydrophobicContact CB-CB 4.49Å; R622-C654 VanDerWaalsContact CB-SG 3.51Å; V623-C654 HydrophobicContact CG2-CB 3.73Å; D650-C654 WeakPolarHBondContact O-CB 3.43Å; D650-C654 PolarHBondContact O-N 3.37Å; D650-C654 PolarHBondContact O-SG 3.18Å; L651-C654 WeakPolarHBondContact O-CB 3.36Å; L651-C654 PolarHBondContact O-N 2.74Å; L651-C654 VanDerWaalsContact O-N 3.16Å; V652-C654 VanDerWaalsContact C-N 3.3Å; V652-C654 PolarHBondContact O-N 3.06Å; C654-P657 VanDerWaalsContact O-CD 3.3Å; C654-P657 WeakPolarHBondContact O-CD 3.13Å
655	I	88.7	Confident	88.9	Confident	3 Å²	3	33.5 Å²	33.5	2%	0.015	19%	0.185	C	C	.	.	H	α-helix	trans	-75.3	-27.9	177.3	-67	165.3	0	0	0	111.6	L651 V652 I658 C659 V684 V688	L651-I655 HydrophobicContact CD1-CD1 4.12Å; L651-I655 HydrophobicContact CD1-CG1 4.39Å; L651-I655 HydrophobicContact CG-CD1 4.17Å; L651-I655 WeakPolarHBondContact O-CG1 3.44Å; L651-I655 PolarHBondContact O-N 3.47Å; V652-I655 PolarHBondContact O-N 3.29Å; I655-I658 WeakPolarHBondContact O-CB 3.48Å; I655-I658 PolarHBondContact O-N 2.95Å; I655-C659 PolarHBondContact O-N 3.03Å; I655-V684 HydrophobicContact CD1-CG1 4.15Å; I655-V684 HydrophobicContact CG1-CG1 4.45Å; I655-V684 HydrophobicContact CG2-CG1 4.02Å; I655-V684 HydrophobicContact CG2-CG2 3.96Å; I655-V688 HydrophobicContact CD1-CG2 4.01Å
656	Q	88.1	Confident	88.9	Confident	57 Å²	57	35.9 Å²	35.9	27%	0.266	20%	0.201	S	C	.	.	H	α-helix	trans	-51.5	-46	-179.1	-73.1	-52.3	-56.4	0	0	114.4	V652 A653 I658 C659 H660	V652-Q656 WeakPolarHBondContact O-CG 3.29Å; V652-Q656 PolarHBondContact O-N 3.11Å; A653-Q656 PolarHBondContact O-N 3.36Å; Q656-I658 PolarHBondContact O-N 3.29Å; Q656-I658 VanDerWaalsContact O-N 3.15Å; Q656-C659 WeakPolarHBondContact O-CA 3.3Å; Q656-C659 WeakPolarHBondContact O-CB 3.4Å; Q656-C659 PolarHBondContact O-N 3.04Å; Q656-H660 PolarHBondContact O-N 3.08Å; Q656-H660 PolarHBondContact O-ND1 3.48Å
657	P	89.2	Confident	89	Confident	48 Å²	48	33.9 Å²	33.9	31%	0.312	19%	0.188	S	C	.	.	H	α-helix	trans	-48.7	-37	173.4	-31.5	32.1	0	0	0	115.2	A653 C654 H660 L661	A653-P657 WeakPolarHBondContact O-CD 3.35Å; C654-P657 VanDerWaalsContact O-CD 3.3Å; C654-P657 WeakPolarHBondContact O-CD 3.13Å; P657-H660 PolarHBondContact O-N 3.01Å; P657-L661 WeakPolarHBondContact O-CB 3.36Å; P657-L661 PolarHBondContact O-N 3.48Å
658	I	90.6	Very high	88.8	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-69.6	-42.4	177.5	-66.1	174.7	0	0	0	110.6	A615 T619 I655 Q656 L661 W662 L680 V684 I687	A615-I658 HydrophobicContact CB-CG1 4.45Å; T619-I658 HydrophobicContact CG2-CD1 4.09Å; I655-I658 WeakPolarHBondContact O-CB 3.48Å; I655-I658 PolarHBondContact O-N 2.95Å; Q656-I658 PolarHBondContact O-N 3.29Å; Q656-I658 VanDerWaalsContact O-N 3.15Å; I658-L661 PolarHBondContact O-N 3.44Å; I658-W662 PolarHBondContact O-N 3.42Å; I658-W662 VanDerWaalsContact O-N 3.13Å; I658-L680 HydrophobicContact CG2-CB 4.26Å; I658-L680 HydrophobicContact CG2-CD2 3.79Å; I658-L680 HydrophobicContact CG2-CG 4.41Å; I658-V684 HydrophobicContact CB-CG2 4.43Å; I658-V684 HydrophobicContact CD1-CG2 4.12Å; I658-V684 HydrophobicContact CG2-CG2 3.95Å; I658-I687 HydrophobicContact CD1-CD1 3.51Å
659	C	89.6	Confident	88.8	Confident	4 Å²	4	38.9 Å²	38.9	3%	0.027	22%	0.218	C	C	.	.	H	α-helix	trans	-63.1	-42.2	173.8	-59.9	0	0	0	0	111.7	I655 Q656 L661 W662 E663 L736	I655-C659 PolarHBondContact O-N 3.03Å; Q656-C659 WeakPolarHBondContact O-CA 3.3Å; Q656-C659 WeakPolarHBondContact O-CB 3.4Å; Q656-C659 PolarHBondContact O-N 3.04Å; C659-L661 VanDerWaalsContact C-N 3.34Å; C659-L661 PolarHBondContact O-N 3.23Å; C659-W662 WeakPolarHBondContact O-CB 3.3Å; C659-W662 PolarHBondContact O-N 3.42Å; C659-E663 PolarHBondContact O-N 3.3Å; C659-E663 VanDerWaalsContact O-N 3.14Å; C659-L736 HydrophobicContact CB-CD2 4.16Å
660	H	89.1	Confident	88.8	Confident	92 Å²	92	38 Å²	38	43%	0.426	21%	0.213	S	C	.	.	H	α-helix	trans	-65.6	-37.3	176.3	-72.1	78.4	0	0	0	111.7	Q656 P657 W662 E663 Q664	Q656-H660 PolarHBondContact O-N 3.08Å; Q656-H660 PolarHBondContact O-ND1 3.48Å; P657-H660 PolarHBondContact O-N 3.01Å; H660-W662 VanDerWaalsContact C-N 3.33Å; H660-W662 PolarHBondContact O-N 2.91Å; H660-E663 PolarHBondContact O-N 3.03Å; H660-Q664 VanDerWaalsContact O-CB 3.3Å; H660-Q664 WeakPolarHBondContact O-CB 3.42Å; H660-Q664 VanDerWaalsContact O-CG 3.26Å; H660-Q664 WeakPolarHBondContact O-CG 3.46Å; H660-Q664 PolarHBondContact O-N 3.43Å
661	L	90.8	Very high	88.8	Confident	12 Å²	12	40.2 Å²	40.2	6%	0.063	22%	0.221	C	C	.	.	H	α-helix	trans	-61.1	-42.6	174.8	179.2	64.7	0	0	0	111.1	F573 L612 A615 P657 I658 C659 E663 Q664 L665	F573-L661 HydrophobicContact CE2-CD1 3.79Å; F573-L661 HydrophobicContact CZ-CD1 3.6Å; L612-L661 HydrophobicContact CD2-CD2 4.08Å; A615-L661 HydrophobicContact CB-CD2 3.62Å; P657-L661 WeakPolarHBondContact O-CB 3.36Å; P657-L661 PolarHBondContact O-N 3.48Å; I658-L661 PolarHBondContact O-N 3.44Å; C659-L661 VanDerWaalsContact C-N 3.34Å; C659-L661 PolarHBondContact O-N 3.23Å; L661-E663 PolarHBondContact O-N 2.65Å; L661-Q664 PolarHBondContact O-N 3.19Å; L661-L665 HydrophobicContact CD1-CD1 3.98Å; L661-L665 HydrophobicContact CD1-CG 3.97Å; L661-L665 HydrophobicContact CD2-CD1 4.45Å; L661-L665 HydrophobicContact CG-CD1 3.86Å; L661-L665 HydrophobicContact CG-CG 4.26Å; L661-L665 WeakPolarHBondContact O-CB 3.32Å; L661-L665 VanDerWaalsContact O-CG 3.27Å; L661-L665 WeakPolarHBondContact O-CG 3.5Å; L661-L665 PolarHBondContact O-N 3.21Å
662	W	92.5	Very high	88.9	Confident	15 Å²	15	42.5 Å²	42.5	6%	0.057	23%	0.232	C	C	.	.	H	α-helix	trans	-57.9	-47.8	174.4	169.1	-112.5	0	0	0	112.2	I658 C659 H660 L665 S666 A673 L676 M677 L680 L736 L741	I658-W662 PolarHBondContact O-N 3.42Å; I658-W662 VanDerWaalsContact O-N 3.13Å; C659-W662 WeakPolarHBondContact O-CB 3.3Å; C659-W662 PolarHBondContact O-N 3.42Å; H660-W662 VanDerWaalsContact C-N 3.33Å; H660-W662 PolarHBondContact O-N 2.91Å; W662-L665 PolarHBondContact O-N 3.17Å; W662-S666 PolarHBondContact O-N 3.48Å; W662-A673 HydrophobicContact CH2-CB 4.11Å; W662-A673 WeakPolarHBondContact CH2-O 3.07Å; W662-A673 WeakPolarHBondContact CZ3-O 3.23Å; W662-L676 HydrophobicContact CZ3-CB 4.11Å; W662-M677 HydrophobicContact CD2-CE 3.56Å; W662-M677 HydrophobicContact CE3-CE 4.05Å; W662-M677 HydrophobicContact CG-CE 4.11Å; W662-M677 HydrophobicContact CH2-CB 4.31Å; W662-M677 HydrophobicContact CH2-CE 3.76Å; W662-M677 HydrophobicContact CZ2-CE 3.24Å; W662-M677 HydrophobicContact CZ3-CB 4.39Å; W662-M677 HydrophobicContact CZ3-CE 4.14Å; W662-L680 HydrophobicContact CB-CD1 3.72Å; W662-L680 HydrophobicContact CE3-CD1 4.1Å; W662-L680 HydrophobicContact CG-CD1 4.43Å; W662-L736 HydrophobicContact CB-CD2 4.23Å; W662-L736 HydrophobicContact CG-CD2 4.31Å; W662-L736 PolarHBondContact NE1-O 2.89Å; W662-L736 VanDerWaalsContact NE1-O 3.13Å; W662-L741 HydrophobicContact CH2-CD1 3.97Å; W662-L741 HydrophobicContact CH2-CD2 4.2Å; W662-L741 HydrophobicContact CZ2-CD1 4.17Å; W662-L741 HydrophobicContact CZ2-CD2 4.3Å
663	E	90.1	Very high	89.1	Confident	111 Å²	111	40.9 Å²	40.9	52%	0.519	22%	0.222	S	C	.	.	H	α-helix	trans	-63.7	-43.4	178.2	-69.5	178.8	179.8	0	0	112	C659 H660 L661 S666	C659-E663 PolarHBondContact O-N 3.3Å; C659-E663 VanDerWaalsContact O-N 3.14Å; H660-E663 PolarHBondContact O-N 3.03Å; L661-E663 PolarHBondContact O-N 2.65Å; E663-S666 PolarHBondContact O-N 2.81Å; E663-S666 PolarHBondContact O-OG 3.07Å
664	Q	90.1	Very high	89.3	Confident	85 Å²	85	38.9 Å²	38.9	40%	0.397	20%	0.203	S	C	.	.	H	α-helix	trans	-64.6	-42	177.8	-78.3	-178.9	-16.3	0	0	112.1	F573 L577 Q580 H660 L661	F573-Q664 HydrophobicContact CZ-CB 4.39Å; L577-Q664 HydrophobicContact CD2-CB 3.94Å; L577-Q664 HydrophobicContact CD2-CG 4.43Å; Q580-Q664 PolarHBondContact NE2-O 3.38Å; Q580-Q664 PolarHBondContact OE1-O 3.35Å; H660-Q664 VanDerWaalsContact O-CB 3.3Å; H660-Q664 WeakPolarHBondContact O-CB 3.42Å; H660-Q664 VanDerWaalsContact O-CG 3.26Å; H660-Q664 WeakPolarHBondContact O-CG 3.46Å; H660-Q664 PolarHBondContact O-N 3.43Å; L661-Q664 PolarHBondContact O-N 3.19Å
665	L	90.6	Very high	89.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.4	-43.4	177.1	-73.6	173.3	0	0	0	111.2	F573 Y576 Q580 L608 W611 L612 L661 W662 W667	F573-L665 HydrophobicContact CE2-CD2 4.05Å; Y576-L665 HydrophobicContact CD1-CD2 4.47Å; Y576-L665 HydrophobicContact CE1-CD2 4.04Å; Y576-L665 PolarHBondContact OH-O 3.01Å; Q580-L665 PolarHBondContact NE2-O 3.21Å; L608-L665 HydrophobicContact CD1-CD1 3.88Å; L608-L665 HydrophobicContact CD1-CD2 4.21Å; W611-L665 HydrophobicContact CE3-CD2 3.82Å; W611-L665 HydrophobicContact CZ3-CD2 3.99Å; L612-L665 HydrophobicContact CD2-CD1 4.46Å; L661-L665 HydrophobicContact CD1-CD1 3.98Å; L661-L665 HydrophobicContact CD1-CG 3.97Å; L661-L665 HydrophobicContact CD2-CD1 4.45Å; L661-L665 HydrophobicContact CG-CD1 3.86Å; L661-L665 HydrophobicContact CG-CG 4.26Å; L661-L665 WeakPolarHBondContact O-CB 3.32Å; L661-L665 VanDerWaalsContact O-CG 3.27Å; L661-L665 WeakPolarHBondContact O-CG 3.5Å; L661-L665 PolarHBondContact O-N 3.21Å; W662-L665 PolarHBondContact O-N 3.17Å; L665-W667 HydrophobicContact CD2-CE3 4.29Å; L665-W667 HydrophobicContact CD2-CZ3 4.32Å; L665-W667 PolarHBondContact O-N 3.49Å
666	S	88	Confident	89.5	Confident	50 Å²	50	44.8 Å²	44.8	35%	0.35	23%	0.231	S	C	.	.			trans	39.4	45.5	-179.7	-76.3	0	0	0	0	112.4	W662 E663	W662-S666 PolarHBondContact O-N 3.48Å; E663-S666 PolarHBondContact O-N 2.81Å; E663-S666 PolarHBondContact O-OG 3.07Å
667	W	90.7	Very high	89.7	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.			trans	-57.6	129	-164.5	-156.4	-100.3	0	0	0	110.2	Y576 H601 R605 L608 L665 E672 A673 L676 R744	Y576-W667 HydrophobicContact CE2-CE3 4.25Å; Y576-W667 HydrophobicContact CE2-CH2 4.39Å; Y576-W667 AromaticContact CE2-CZ3 3.69Å; Y576-W667 HydrophobicContact CE2-CZ3 3.69Å; Y576-W667 AromaticContact CZ-CE3 3.99Å; Y576-W667 AromaticContact CZ-CZ3 3.85Å; H601-W667 HydrophobicContact CB-CH2 4.21Å; H601-W667 HydrophobicContact CB-CZ2 4.1Å; H601-W667 AromaticContact CD2-NE1 3.88Å; H601-W667 WeakPolarHBondContact O-CH2 3.39Å; H601-W667 WeakPolarHBondContact O-CZ2 3.37Å; R605-W667 HydrophobicContact CG-CZ2 4.1Å; L608-W667 HydrophobicContact CD1-CE3 4.35Å; L608-W667 HydrophobicContact CD1-CH2 4.49Å; L608-W667 HydrophobicContact CD1-CZ3 4.08Å; L608-W667 HydrophobicContact CD2-CH2 4.15Å; L608-W667 HydrophobicContact CD2-CZ2 4.11Å; L608-W667 HydrophobicContact CD2-CZ3 4.46Å; L665-W667 HydrophobicContact CD2-CE3 4.29Å; L665-W667 HydrophobicContact CD2-CZ3 4.32Å; L665-W667 PolarHBondContact O-N 3.49Å; W667-E672 PolarHBondContact NE1-OE2 2.98Å; W667-A673 HydrophobicContact CB-CB 4.21Å; W667-L676 HydrophobicContact CB-CD1 3.7Å; W667-L676 HydrophobicContact CD2-CD1 4.03Å; W667-L676 HydrophobicContact CE3-CD1 4.47Å; W667-L676 HydrophobicContact CG-CD1 3.69Å; W667-R744 PolarHBondContact O-NH1 2.82Å
668	P	86.5	Confident	89.8	Confident	63 Å²	63	40.6 Å²	40.6	41%	0.409	21%	0.208	S	C	.	.	S	Bend	trans	-80.9	-30.5	-168.1	29.8	-35	0	0	0	113.2	H601	H601-P668 HydrophobicContact CB-CG 3.9Å; H601-P668 WeakPolarHBondContact ND1-CG 3.24Å
669	D	88.2	Confident	89.8	Confident	44 Å²	44	43.4 Å²	43.4	24%	0.235	22%	0.22	C	C	.	.			trans	-71	122.1	176.6	-176.1	-79.4	0	0	0	110.4	E671 E672 A673	D669-E671 WeakPolarHBondContact OD1-CB 3.44Å; D669-E671 PolarHBondContact OD1-N 3.28Å; D669-E672 HydrophobicContact CB-CB 4.15Å; D669-E672 HydrophobicContact CB-CG 4.36Å; D669-E672 PolarHBondContact OD1-N 3.34Å; D669-A673 WeakPolarHBondContact O-CB 3.43Å; D669-A673 PolarHBondContact O-N 2.98Å
670	P	86.8	Confident	89.9	Confident	39 Å²	39	43.3 Å²	43.3	25%	0.253	22%	0.219	S	C	.	.	H	α-helix	trans	-69.3	-32.9	-173.4	27	-33.9	0	0	0	113.6	F674 T745 V748	P670-F674 PolarHBondContact O-N 3.46Å; P670-T745 HydrophobicContact CB-CG2 4.07Å; P670-T745 VanDerWaalsContact O-CG2 3.28Å; P670-T745 WeakPolarHBondContact O-CG2 3.42Å; P670-V748 HydrophobicContact CG-CG2 4.18Å
671	E	87.1	Confident	90.1	Very high	115 Å²	115	38.9 Å²	38.9	54%	0.537	20%	0.199	S	C	.	.	H	α-helix	trans	-71.9	-50.4	179.7	-65.9	-176.6	-171.7	0	0	110	D669 A673 F674 M675 V748	D669-E671 WeakPolarHBondContact OD1-CB 3.44Å; D669-E671 PolarHBondContact OD1-N 3.28Å; E671-A673 PolarHBondContact O-N 3.49Å; E671-F674 WeakPolarHBondContact O-CB 3.47Å; E671-F674 PolarHBondContact O-N 2.99Å; E671-M675 WeakPolarHBondContact O-CG 3.34Å; E671-M675 PolarHBondContact O-N 2.77Å; E671-M675 VanDerWaalsContact O-N 3.07Å; E671-V748 HydrophobicContact CG-CB 4.4Å; E671-V748 HydrophobicContact CG-CG1 3.42Å; E671-V748 VanDerWaalsContact CG-CG1 3.42Å; E671-V748 WeakPolarHBondContact OE1-CG1 3.33Å
672	E	89.3	Confident	90.1	Very high	51 Å²	51	41.4 Å²	41.4	24%	0.238	21%	0.211	C	C	.	.	H	α-helix	trans	-65.3	-39.3	178	-65	-177.8	164.7	0	0	111.2	R605 W667 D669 F674 M675 L676	R605-E672 IonicContact CZ-OE1 2.75Å; R605-E672 IonicContact CZ-OE2 2.72Å; R605-E672 IonicContact NE-OE1 3.47Å; R605-E672 PolarHBondContact NE-OE1 3Å; R605-E672 IonicContact NE-OE2 3.77Å; R605-E672 PolarHBondContact NE-OE2 2.93Å; R605-E672 IonicContact NH1-OE1 2.79Å; R605-E672 IonicContact NH2-OE1 3.65Å; R605-E672 PolarHBondContact NH2-OE1 3.44Å; R605-E672 VanDerWaalsContact NH2-OE1 3.16Å; R605-E672 IonicContact NH2-OE2 3.88Å; W667-E672 PolarHBondContact NE1-OE2 2.98Å; D669-E672 HydrophobicContact CB-CB 4.15Å; D669-E672 HydrophobicContact CB-CG 4.36Å; D669-E672 PolarHBondContact OD1-N 3.34Å; E672-F674 VanDerWaalsContact C-N 3.28Å; E672-F674 PolarHBondContact O-N 3.26Å; E672-M675 PolarHBondContact O-N 3.38Å; E672-M675 VanDerWaalsContact O-N 3.16Å; E672-L676 WeakPolarHBondContact O-CB 3.44Å; E672-L676 VanDerWaalsContact O-CG 3.25Å; E672-L676 WeakPolarHBondContact O-CG 3.39Å; E672-L676 PolarHBondContact O-N 3.45Å
673	A	90.5	Very high	90	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.6	-36.6	175.2	0	0	0	0	0	112.4	W662 W667 D669 E671 M677 L741	W662-A673 HydrophobicContact CH2-CB 4.11Å; W662-A673 WeakPolarHBondContact CH2-O 3.07Å; W662-A673 WeakPolarHBondContact CZ3-O 3.23Å; W667-A673 HydrophobicContact CB-CB 4.21Å; D669-A673 WeakPolarHBondContact O-CB 3.43Å; D669-A673 PolarHBondContact O-N 2.98Å; E671-A673 PolarHBondContact O-N 3.49Å; A673-M677 PolarHBondContact O-N 2.85Å; A673-L741 HydrophobicContact CB-CD1 4.11Å
674	F	90.4	Very high	90.1	Very high	16 Å²	16	35.6 Å²	35.6	7%	0.07	18%	0.184	C	C	.	.	H	α-helix	trans	-67	-46.1	173	178.6	-103.9	0	0	0	111.8	P670 E671 E672 L676 M677 V678 T745 I749 F754 L758	P670-F674 PolarHBondContact O-N 3.46Å; E671-F674 WeakPolarHBondContact O-CB 3.47Å; E671-F674 PolarHBondContact O-N 2.99Å; E672-F674 VanDerWaalsContact C-N 3.28Å; E672-F674 PolarHBondContact O-N 3.26Å; F674-L676 VanDerWaalsContact C-N 3.28Å; F674-L676 PolarHBondContact O-N 2.95Å; F674-M677 WeakPolarHBondContact O-CB 3.43Å; F674-M677 PolarHBondContact O-N 2.95Å; F674-M677 VanDerWaalsContact O-N 3.12Å; F674-V678 HydrophobicContact CD1-CG2 4.17Å; F674-V678 HydrophobicContact CE1-CG2 3.81Å; F674-V678 HydrophobicContact CE2-CG2 4.25Å; F674-V678 HydrophobicContact CZ-CG2 3.86Å; F674-V678 WeakPolarHBondContact O-CG2 3.38Å; F674-V678 PolarHBondContact O-N 3.48Å; F674-T745 HydrophobicContact CB-CG2 4.32Å; F674-I749 HydrophobicContact CB-CD1 3.37Å; F674-I749 HydrophobicContact CD1-CD1 3.2Å; F674-I749 HydrophobicContact CD2-CD1 3.82Å; F674-I749 HydrophobicContact CE1-CD1 3.83Å; F674-I749 HydrophobicContact CE2-CD1 4.38Å; F674-I749 HydrophobicContact CG-CD1 3.16Å; F674-I749 HydrophobicContact CZ-CD1 4.38Å; F674-I749 HydrophobicContact CZ-CG2 4.41Å; F674-F754 AromaticContact CD2-CD2 3.71Å; F674-F754 HydrophobicContact CD2-CD2 3.71Å; F674-F754 AromaticContact CD2-CE2 3.89Å; F674-F754 HydrophobicContact CD2-CE2 3.89Å; F674-F754 HydrophobicContact CE2-CB 4.4Å; F674-F754 AromaticContact CE2-CD2 3.42Å; F674-F754 HydrophobicContact CE2-CD2 3.42Å; F674-F754 VanDerWaalsContact CE2-CD2 3.42Å; F674-F754 AromaticContact CE2-CE2 3.9Å; F674-F754 HydrophobicContact CE2-CE2 3.9Å; F674-F754 HydrophobicContact CE2-CG 4.11Å; F674-L758 HydrophobicContact CD2-CD1 4.35Å; F674-L758 HydrophobicContact CE2-CD1 3.81Å; F674-L758 HydrophobicContact CE2-CG 4.12Å
675	M	90	Very high	90.2	Very high	125 Å²	125	32.1 Å²	32.1	62%	0.616	17%	0.169	S	C	*	.	H	α-helix	trans	-59.7	-39.9	176.8	-67	-59.7	-67.1	0	0	111.9	E671 E672 V678 K679	E671-M675 WeakPolarHBondContact O-CG 3.34Å; E671-M675 PolarHBondContact O-N 2.77Å; E671-M675 VanDerWaalsContact O-N 3.07Å; E672-M675 PolarHBondContact O-N 3.38Å; E672-M675 VanDerWaalsContact O-N 3.16Å; M675-V678 PolarHBondContact O-N 3.49Å; M675-K679 WeakPolarHBondContact O-CB 3.32Å; M675-K679 PolarHBondContact O-N 2.96Å
676	L	92	Very high	90.2	Very high	11 Å²	11	36.6 Å²	36.6	6%	0.058	19%	0.188	C	C	.	.	H	α-helix	trans	-61.5	-45.8	172.6	-72.6	175.9	0	0	0	112.1	L608 L612 W662 W667 E672 F674 V678 K679 L680	L608-L676 HydrophobicContact CD1-CD1 4.3Å; L608-L676 HydrophobicContact CD1-CD2 3.94Å; L608-L676 HydrophobicContact CD2-CD1 4.1Å; L608-L676 HydrophobicContact CD2-CD2 3.66Å; L608-L676 HydrophobicContact CD2-CG 4.27Å; L608-L676 HydrophobicContact CG-CD2 3.89Å; L612-L676 HydrophobicContact CD1-CD2 3.56Å; L612-L676 HydrophobicContact CD2-CD2 4.24Å; L612-L676 HydrophobicContact CG-CD2 4.42Å; W662-L676 HydrophobicContact CZ3-CB 4.11Å; W667-L676 HydrophobicContact CB-CD1 3.7Å; W667-L676 HydrophobicContact CD2-CD1 4.03Å; W667-L676 HydrophobicContact CE3-CD1 4.47Å; W667-L676 HydrophobicContact CG-CD1 3.69Å; E672-L676 WeakPolarHBondContact O-CB 3.44Å; E672-L676 VanDerWaalsContact O-CG 3.25Å; E672-L676 WeakPolarHBondContact O-CG 3.39Å; E672-L676 PolarHBondContact O-N 3.45Å; F674-L676 VanDerWaalsContact C-N 3.28Å; F674-L676 PolarHBondContact O-N 2.95Å; L676-V678 VanDerWaalsContact C-N 3.32Å; L676-V678 PolarHBondContact O-N 3.49Å; L676-K679 PolarHBondContact O-N 3.4Å; L676-L680 WeakPolarHBondContact O-CB 3.46Å; L676-L680 WeakPolarHBondContact O-CG 3.34Å; L676-L680 PolarHBondContact O-N 3.11Å
677	M	92.1	Very high	90.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.8	-42.3	176.7	-178.3	58	67.4	0	0	111.9	W662 A673 F674 K679 L680 T681 L736 W738 L741 L758	W662-M677 HydrophobicContact CD2-CE 3.56Å; W662-M677 HydrophobicContact CE3-CE 4.05Å; W662-M677 HydrophobicContact CG-CE 4.11Å; W662-M677 HydrophobicContact CH2-CB 4.31Å; W662-M677 HydrophobicContact CH2-CE 3.76Å; W662-M677 HydrophobicContact CZ2-CE 3.24Å; W662-M677 HydrophobicContact CZ3-CB 4.39Å; W662-M677 HydrophobicContact CZ3-CE 4.14Å; A673-M677 PolarHBondContact O-N 2.85Å; F674-M677 WeakPolarHBondContact O-CB 3.43Å; F674-M677 PolarHBondContact O-N 2.95Å; F674-M677 VanDerWaalsContact O-N 3.12Å; M677-K679 VanDerWaalsContact C-N 3.34Å; M677-L680 PolarHBondContact O-N 3.26Å; M677-T681 VanDerWaalsContact O-CB 3.29Å; M677-T681 WeakPolarHBondContact O-CB 3.46Å; M677-T681 PolarHBondContact O-N 3.37Å; M677-T681 PolarHBondContact O-OG1 3.46Å; M677-L736 HydrophobicContact CE-CB 3.88Å; M677-L736 WeakPolarHBondContact CE-O 3.46Å; M677-L736 HydrophobicContact SD-CB 3.85Å; M677-L736 HydrophobicContact SD-CD1 3.78Å; M677-L736 HydrophobicContact SD-CG 4.3Å; M677-W738 PolarHBondContact SD-NE1 3.22Å; M677-L741 HydrophobicContact CB-CD2 3.5Å; M677-L741 VanDerWaalsContact CB-CD2 3.5Å; M677-L741 HydrophobicContact CE-CD2 4.05Å; M677-L741 HydrophobicContact CG-CD2 3.6Å; M677-L758 HydrophobicContact CG-CD1 3.92Å; M677-L758 HydrophobicContact CG-CD2 3.9Å
678	V	90.9	Very high	90.4	Very high	18 Å²	18	34.2 Å²	34.2	11%	0.109	17%	0.172	C	C	.	.	H	α-helix	trans	-59.8	-47.7	175.2	173.5	0	0	0	0	110	F674 M675 L676 T681 E682 T757 L758 Q761	F674-V678 HydrophobicContact CD1-CG2 4.17Å; F674-V678 HydrophobicContact CE1-CG2 3.81Å; F674-V678 HydrophobicContact CE2-CG2 4.25Å; F674-V678 HydrophobicContact CZ-CG2 3.86Å; F674-V678 WeakPolarHBondContact O-CG2 3.38Å; F674-V678 PolarHBondContact O-N 3.48Å; M675-V678 PolarHBondContact O-N 3.49Å; L676-V678 VanDerWaalsContact C-N 3.32Å; L676-V678 PolarHBondContact O-N 3.49Å; V678-T681 PolarHBondContact O-N 2.91Å; V678-E682 WeakPolarHBondContact O-CB 3.46Å; V678-E682 PolarHBondContact O-N 2.89Å; V678-T757 HydrophobicContact CG1-CG2 4.18Å; V678-T757 HydrophobicContact CG2-CG2 3.97Å; V678-L758 HydrophobicContact CB-CD2 4.22Å; V678-L758 HydrophobicContact CG2-CD2 3.65Å; V678-L758 HydrophobicContact CG2-CG 4.17Å; V678-Q761 PolarHBondContact O-OE1 3.37Å
679	K	91.3	Very high	90.6	Very high	60 Å²	60	32.7 Å²	32.7	26%	0.261	16%	0.161	S	C	.	.	H	α-helix	trans	-62.2	-46.1	178.8	179.7	54.2	179.8	155	0	112.7	L612 M675 L676 M677 T681 E682 D683	L612-K679 HydrophobicContact CD1-CG 4.3Å; M675-K679 WeakPolarHBondContact O-CB 3.32Å; M675-K679 PolarHBondContact O-N 2.96Å; L676-K679 PolarHBondContact O-N 3.4Å; M677-K679 VanDerWaalsContact C-N 3.34Å; K679-T681 PolarHBondContact O-N 3.37Å; K679-E682 IonicContact NZ-OE2 2.76Å; K679-E682 WeakPolarHBondContact O-CB 3.39Å; K679-E682 PolarHBondContact O-N 2.79Å; K679-D683 WeakPolarHBondContact CE-OD1 3.49Å; K679-D683 WeakPolarHBondContact CE-OD2 3.33Å; K679-D683 IonicContact NZ-OD1 2.84Å; K679-D683 PolarHBondContact NZ-OD1 3.2Å; K679-D683 IonicContact NZ-OD2 2.55Å; K679-D683 WeakPolarHBondContact O-CB 3.14Å; K679-D683 VanDerWaalsContact O-CG 3.25Å; K679-D683 PolarHBondContact O-N 3.2Å
680	L	91.9	Very high	90.7	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-65.1	-39	178.1	-69.1	-176.3	0	0	0	112.3	L612 I658 W662 L676 M677 D683 V684	L612-L680 HydrophobicContact CD2-CD2 3.53Å; L612-L680 HydrophobicContact CD2-CG 4.2Å; I658-L680 HydrophobicContact CG2-CB 4.26Å; I658-L680 HydrophobicContact CG2-CD2 3.79Å; I658-L680 HydrophobicContact CG2-CG 4.41Å; W662-L680 HydrophobicContact CB-CD1 3.72Å; W662-L680 HydrophobicContact CE3-CD1 4.1Å; W662-L680 HydrophobicContact CG-CD1 4.43Å; L676-L680 WeakPolarHBondContact O-CB 3.46Å; L676-L680 WeakPolarHBondContact O-CG 3.34Å; L676-L680 PolarHBondContact O-N 3.11Å; M677-L680 PolarHBondContact O-N 3.26Å; L680-D683 PolarHBondContact O-N 3.48Å; L680-V684 WeakPolarHBondContact O-CG2 3.19Å; L680-V684 PolarHBondContact O-N 3.32Å
681	T	91.7	Very high	90.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64	-44.3	175	-58.3	0	0	0	0	110.6	M677 V678 K679 D683 V684 C685 W738	M677-T681 VanDerWaalsContact O-CB 3.29Å; M677-T681 WeakPolarHBondContact O-CB 3.46Å; M677-T681 PolarHBondContact O-N 3.37Å; M677-T681 PolarHBondContact O-OG1 3.46Å; V678-T681 PolarHBondContact O-N 2.91Å; K679-T681 PolarHBondContact O-N 3.37Å; T681-D683 VanDerWaalsContact C-N 3.35Å; T681-D683 PolarHBondContact O-N 3.09Å; T681-V684 PolarHBondContact O-N 3.02Å; T681-C685 WeakPolarHBondContact O-CB 3.36Å; T681-C685 PolarHBondContact O-N 3.23Å; T681-C685 PolarHBondContact O-SG 3.06Å; T681-W738 HydrophobicContact CG2-CH2 4.38Å; T681-W738 HydrophobicContact CG2-CZ2 3.87Å
682	E	91.2	Very high	91.1	Very high	65 Å²	65	25.4 Å²	25.4	30%	0.304	12%	0.124	S	C	.	.	H	α-helix	trans	-59.4	-45.2	174.9	-171.4	-165.1	-175.7	0	0	111.5	V678 K679 C685 K686	V678-E682 WeakPolarHBondContact O-CB 3.46Å; V678-E682 PolarHBondContact O-N 2.89Å; K679-E682 IonicContact NZ-OE2 2.76Å; K679-E682 WeakPolarHBondContact O-CB 3.39Å; K679-E682 PolarHBondContact O-N 2.79Å; E682-C685 WeakPolarHBondContact O-CB 3.45Å; E682-C685 PolarHBondContact O-N 3.08Å; E682-K686 HydrophobicContact CG-CD 4.35Å; E682-K686 WeakPolarHBondContact O-CG 3.25Å; E682-K686 PolarHBondContact O-N 3.26Å; E682-K686 WeakPolarHBondContact OE1-CE 3.48Å; E682-K686 IonicContact OE1-NZ 2.84Å; E682-K686 PolarHBondContact OE1-NZ 3.11Å; E682-K686 IonicContact OE2-NZ 3.33Å
683	D	91.4	Very high	91.1	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.016	14%	0.135	C	C	.	.	H	α-helix	trans	-63.7	-46.1	-179.6	-78.3	-10.9	0	0	0	112	F616 K679 L680 T681 C685 K686 I687	F616-D683 HydrophobicContact CD2-CB 3.64Å; F616-D683 HydrophobicContact CE2-CB 4.19Å; K679-D683 WeakPolarHBondContact CE-OD1 3.49Å; K679-D683 WeakPolarHBondContact CE-OD2 3.33Å; K679-D683 IonicContact NZ-OD1 2.84Å; K679-D683 PolarHBondContact NZ-OD1 3.2Å; K679-D683 IonicContact NZ-OD2 2.55Å; K679-D683 WeakPolarHBondContact O-CB 3.14Å; K679-D683 VanDerWaalsContact O-CG 3.25Å; K679-D683 PolarHBondContact O-N 3.2Å; L680-D683 PolarHBondContact O-N 3.48Å; T681-D683 VanDerWaalsContact C-N 3.35Å; T681-D683 PolarHBondContact O-N 3.09Å; D683-C685 VanDerWaalsContact C-N 3.34Å; D683-C685 PolarHBondContact O-N 3.46Å; D683-K686 PolarHBondContact O-N 3.27Å; D683-I687 WeakPolarHBondContact O-CD1 3.33Å; D683-I687 WeakPolarHBondContact O-CG1 3.46Å; D683-I687 PolarHBondContact O-N 2.86Å
684	V	91.8	Very high	91.1	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-60.4	-44.9	172.6	173.8	0	0	0	0	110.7	I655 I658 L680 T681 K686 I687 V688 L729 L732	I655-V684 HydrophobicContact CD1-CG1 4.15Å; I655-V684 HydrophobicContact CG1-CG1 4.45Å; I655-V684 HydrophobicContact CG2-CG1 4.02Å; I655-V684 HydrophobicContact CG2-CG2 3.96Å; I658-V684 HydrophobicContact CB-CG2 4.43Å; I658-V684 HydrophobicContact CD1-CG2 4.12Å; I658-V684 HydrophobicContact CG2-CG2 3.95Å; L680-V684 WeakPolarHBondContact O-CG2 3.19Å; L680-V684 PolarHBondContact O-N 3.32Å; T681-V684 PolarHBondContact O-N 3.02Å; V684-K686 VanDerWaalsContact C-N 3.33Å; V684-K686 PolarHBondContact O-N 3.44Å; V684-I687 PolarHBondContact O-N 2.91Å; V684-V688 HydrophobicContact CG1-CG2 4.39Å; V684-V688 WeakPolarHBondContact O-CB 3.22Å; V684-V688 VanDerWaalsContact O-CG2 3.28Å; V684-V688 WeakPolarHBondContact O-CG2 3.46Å; V684-V688 PolarHBondContact O-N 3.49Å; V684-L729 HydrophobicContact CG1-CD2 4.32Å; V684-L732 HydrophobicContact CB-CD2 4.32Å; V684-L732 HydrophobicContact CG1-CD1 4.32Å; V684-L732 HydrophobicContact CG1-CD2 3.84Å
685	C	91.2	Very high	91	Very high	12 Å²	12	29.5 Å²	29.5	8%	0.081	15%	0.145	C	C	.	.	H	α-helix	trans	-59.9	-42	177.1	-70.2	0	0	0	0	112.1	T681 E682 D683 V688 V689 A765	T681-C685 WeakPolarHBondContact O-CB 3.36Å; T681-C685 PolarHBondContact O-N 3.23Å; T681-C685 PolarHBondContact O-SG 3.06Å; E682-C685 WeakPolarHBondContact O-CB 3.45Å; E682-C685 PolarHBondContact O-N 3.08Å; D683-C685 VanDerWaalsContact C-N 3.34Å; D683-C685 PolarHBondContact O-N 3.46Å; C685-V688 PolarHBondContact O-N 3.04Å; C685-V689 WeakPolarHBondContact O-CG2 3.35Å; C685-V689 PolarHBondContact O-N 3.28Å; C685-A765 HydrophobicContact CB-CB 3.88Å
686	K	91.2	Very high	90.8	Very high	93 Å²	93	27.6 Å²	27.6	40%	0.404	13%	0.133	S	C	.	.	H	α-helix	trans	-64.1	-44.1	175.9	-76.7	173.9	-178.2	166.7	0	112.3	F616 E682 D683 V684 V688 V689 N690	F616-K686 HydrophobicContact CE2-CB 4.16Å; F616-K686 HydrophobicContact CZ-CB 4.47Å; E682-K686 HydrophobicContact CG-CD 4.35Å; E682-K686 WeakPolarHBondContact O-CG 3.25Å; E682-K686 PolarHBondContact O-N 3.26Å; E682-K686 WeakPolarHBondContact OE1-CE 3.48Å; E682-K686 IonicContact OE1-NZ 2.84Å; E682-K686 PolarHBondContact OE1-NZ 3.11Å; E682-K686 IonicContact OE2-NZ 3.33Å; D683-K686 PolarHBondContact O-N 3.27Å; V684-K686 VanDerWaalsContact C-N 3.33Å; V684-K686 PolarHBondContact O-N 3.44Å; K686-V688 VanDerWaalsContact C-N 3.28Å; K686-V688 PolarHBondContact O-N 3.32Å; K686-V689 PolarHBondContact O-N 2.83Å; K686-N690 WeakPolarHBondContact O-CB 3.39Å; K686-N690 PolarHBondContact O-N 3.26Å
687	I	92	Very high	90.6	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-59.1	-43.7	176.4	-72.8	156.6	0	0	0	110.3	F616 T619 V623 L651 I658 D683 V684 N690 Y691	F616-I687 HydrophobicContact CD2-CD1 3.75Å; F616-I687 HydrophobicContact CD2-CG1 3.98Å; F616-I687 HydrophobicContact CE2-CD1 4.01Å; F616-I687 HydrophobicContact CE2-CG1 3.7Å; T619-I687 HydrophobicContact CG2-CD1 3.59Å; T619-I687 HydrophobicContact CG2-CG1 4.43Å; T619-I687 HydrophobicContact CG2-CG2 4.29Å; V623-I687 HydrophobicContact CB-CG2 4.49Å; V623-I687 HydrophobicContact CG2-CG2 3.82Å; L651-I687 HydrophobicContact CD1-CG2 4.16Å; I658-I687 HydrophobicContact CD1-CD1 3.51Å; D683-I687 WeakPolarHBondContact O-CD1 3.33Å; D683-I687 WeakPolarHBondContact O-CG1 3.46Å; D683-I687 PolarHBondContact O-N 2.86Å; V684-I687 PolarHBondContact O-N 2.91Å; I687-N690 PolarHBondContact O-N 3.44Å; I687-Y691 PolarHBondContact O-N 3.29Å
688	V	90.9	Very high	90.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.7	-43.5	179.7	162.3	0	0	0	0	112.3	I655 V684 C685 K686 N690 Y691 C692 L725 L729 L769	I655-V688 HydrophobicContact CD1-CG2 4.01Å; V684-V688 HydrophobicContact CG1-CG2 4.39Å; V684-V688 WeakPolarHBondContact O-CB 3.22Å; V684-V688 VanDerWaalsContact O-CG2 3.28Å; V684-V688 WeakPolarHBondContact O-CG2 3.46Å; V684-V688 PolarHBondContact O-N 3.49Å; C685-V688 PolarHBondContact O-N 3.04Å; K686-V688 VanDerWaalsContact C-N 3.28Å; K686-V688 PolarHBondContact O-N 3.32Å; V688-N690 VanDerWaalsContact C-N 3.33Å; V688-N690 PolarHBondContact O-N 3.04Å; V688-Y691 WeakPolarHBondContact O-CB 3.24Å; V688-Y691 PolarHBondContact O-N 3.39Å; V688-C692 PolarHBondContact O-N 2.89Å; V688-C692 VanDerWaalsContact O-N 3.12Å; V688-C692 PolarHBondContact O-SG 3.2Å; V688-L725 HydrophobicContact CB-CD2 4.2Å; V688-L725 HydrophobicContact CG1-CD1 4.2Å; V688-L725 HydrophobicContact CG1-CD2 3.48Å; V688-L725 VanDerWaalsContact CG1-CD2 3.48Å; V688-L725 HydrophobicContact CG1-CG 3.76Å; V688-L725 HydrophobicContact CG2-CD1 3.76Å; V688-L725 HydrophobicContact CG2-CD2 4.22Å; V688-L725 HydrophobicContact CG2-CG 4.27Å; V688-L729 HydrophobicContact CG1-CD1 3.77Å; V688-L729 HydrophobicContact CG1-CD2 4.48Å; V688-L729 HydrophobicContact CG1-CG 4.29Å; V688-L729 HydrophobicContact CG2-CD2 4.09Å; V688-L769 HydrophobicContact CG1-CD1 3.56Å; V688-L769 HydrophobicContact CG1-CD2 4.47Å
689	V	90	Very high	90.2	Very high	30 Å²	30	35.2 Å²	35.2	18%	0.182	17%	0.165	C	C	.	.	H	α-helix	trans	-63.2	-41.9	174	171.2	0	0	0	0	110.8	C685 K686 Y691 C692 H693 I768	C685-V689 WeakPolarHBondContact O-CG2 3.35Å; C685-V689 PolarHBondContact O-N 3.28Å; K686-V689 PolarHBondContact O-N 2.83Å; V689-Y691 VanDerWaalsContact C-N 3.35Å; V689-Y691 PolarHBondContact O-N 3.38Å; V689-C692 WeakPolarHBondContact O-CB 3.38Å; V689-C692 PolarHBondContact O-N 2.94Å; V689-H693 PolarHBondContact O-CD2 3.47Å; V689-H693 PolarHBondContact O-N 3.34Å; V689-H693 VanDerWaalsContact O-N 3.16Å; V689-I768 HydrophobicContact CG2-CD1 3.92Å; V689-I768 HydrophobicContact CG2-CG2 4.33Å
690	N	91.2	Very high	89.9	Confident	43 Å²	43	39.3 Å²	39.3	23%	0.23	18%	0.179	C	C	.	.	H	α-helix	trans	-62.1	-41.3	176.1	-171.2	43.3	0	0	0	112	Q620 K686 I687 V688 C692 H693 L694	Q620-N690 PolarHBondContact NE2-ND2 3.46Å; K686-N690 WeakPolarHBondContact O-CB 3.39Å; K686-N690 PolarHBondContact O-N 3.26Å; I687-N690 PolarHBondContact O-N 3.44Å; V688-N690 VanDerWaalsContact C-N 3.33Å; V688-N690 PolarHBondContact O-N 3.04Å; N690-C692 VanDerWaalsContact C-N 3.32Å; N690-C692 PolarHBondContact O-N 3.27Å; N690-H693 PolarHBondContact O-N 3.4Å; N690-H693 VanDerWaalsContact O-N 3.17Å; N690-L694 VanDerWaalsContact O-CG 3.32Å; N690-L694 WeakPolarHBondContact O-CG 3.49Å; N690-L694 PolarHBondContact O-N 3.48Å
691	Y	91.8	Very high	89.5	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-56.8	-45	173.4	177	-98.6	0	0	0	111.7	V623 V627 S647 A648 L651 I687 V688 V689 H693 L694 L695 L725	V623-Y691 HydrophobicContact CG1-CD2 3.79Å; V623-Y691 HydrophobicContact CG1-CG 4.39Å; V627-Y691 HydrophobicContact CG2-CD2 3.38Å; V627-Y691 HydrophobicContact CG2-CE2 3.36Å; S647-Y691 PolarHBondContact OG-OH 3.21Å; A648-Y691 WeakPolarHBondContact CA-OH 3.42Å; A648-Y691 PolarHBondContact N-OH 2.82Å; L651-Y691 HydrophobicContact CB-CE2 4.39Å; L651-Y691 HydrophobicContact CD1-CD2 4.37Å; L651-Y691 HydrophobicContact CD1-CG 4.47Å; L651-Y691 HydrophobicContact CD2-CD1 3.6Å; L651-Y691 HydrophobicContact CD2-CD2 3.89Å; L651-Y691 HydrophobicContact CD2-CE1 3.78Å; L651-Y691 HydrophobicContact CD2-CE2 4.06Å; L651-Y691 HydrophobicContact CD2-CG 3.64Å; I687-Y691 PolarHBondContact O-N 3.29Å; V688-Y691 WeakPolarHBondContact O-CB 3.24Å; V688-Y691 PolarHBondContact O-N 3.39Å; V689-Y691 VanDerWaalsContact C-N 3.35Å; V689-Y691 PolarHBondContact O-N 3.38Å; Y691-H693 VanDerWaalsContact C-N 3.29Å; Y691-H693 PolarHBondContact O-N 3.29Å; Y691-L694 PolarHBondContact O-N 2.9Å; Y691-L695 HydrophobicContact CD1-CD1 4.24Å; Y691-L695 HydrophobicContact CE1-CD1 3.42Å; Y691-L695 VanDerWaalsContact CE1-CD1 3.42Å; Y691-L695 HydrophobicContact CE2-CD1 4.26Å; Y691-L695 VanDerWaalsContact CZ-CD1 3.43Å; Y691-L695 VanDerWaalsContact O-CB 3.26Å; Y691-L695 WeakPolarHBondContact O-CB 3.09Å; Y691-L695 PolarHBondContact O-N 2.74Å; Y691-L695 VanDerWaalsContact OH-CD1 3.32Å; Y691-L695 WeakPolarHBondContact OH-CD1 3.39Å; Y691-L725 HydrophobicContact CD1-CD2 3.56Å; Y691-L725 HydrophobicContact CE1-CD2 4.07Å; Y691-L725 HydrophobicContact CG-CD2 4.42Å
692	C	89.9	Confident	89.1	Confident	3 Å²	3	44.1 Å²	44.1	2%	0.02	21%	0.207	C	C	.	.	H	α-helix	trans	-58.7	-41.1	176.9	-60.1	0	0	0	0	112	V688 V689 N690 K696 L722	V688-C692 PolarHBondContact O-N 2.89Å; V688-C692 VanDerWaalsContact O-N 3.12Å; V688-C692 PolarHBondContact O-SG 3.2Å; V689-C692 WeakPolarHBondContact O-CB 3.38Å; V689-C692 PolarHBondContact O-N 2.94Å; N690-C692 VanDerWaalsContact C-N 3.32Å; N690-C692 PolarHBondContact O-N 3.27Å; C692-K696 WeakPolarHBondContact O-CG 3.31Å; C692-K696 PolarHBondContact O-N 3.3Å; C692-L722 HydrophobicContact CB-CD2 4.21Å
693	H	89.3	Confident	88.6	Confident	99 Å²	99	43 Å²	43	46%	0.458	21%	0.206	S	C	.	.	H	α-helix	trans	-67.2	-44.7	176.5	-72.8	-65.2	0	0	0	112.7	V689 N690 Y691 L695 K696 E697	V689-H693 PolarHBondContact O-CD2 3.47Å; V689-H693 PolarHBondContact O-N 3.34Å; V689-H693 VanDerWaalsContact O-N 3.16Å; N690-H693 PolarHBondContact O-N 3.4Å; N690-H693 VanDerWaalsContact O-N 3.17Å; Y691-H693 VanDerWaalsContact C-N 3.29Å; Y691-H693 PolarHBondContact O-N 3.29Å; H693-L695 VanDerWaalsContact C-N 3.32Å; H693-L695 PolarHBondContact O-N 2.99Å; H693-K696 PolarHBondContact O-N 3.35Å; H693-E697 PolarHBondContact O-N 3.18Å
694	L	90.6	Very high	87.9	Confident	51 Å²	51	49 Å²	49	27%	0.267	23%	0.234	S	C	.	.	H	α-helix	trans	-63.4	-39.8	178.7	-68.6	170.1	0	0	0	111.8	V624 V627 N690 Y691 E697 R698	V624-L694 HydrophobicContact CB-CD1 4.44Å; V624-L694 HydrophobicContact CG2-CD1 3.76Å; V627-L694 HydrophobicContact CB-CB 4.37Å; V627-L694 HydrophobicContact CG1-CB 3.95Å; V627-L694 HydrophobicContact CG2-CB 4.39Å; N690-L694 VanDerWaalsContact O-CG 3.32Å; N690-L694 WeakPolarHBondContact O-CG 3.49Å; N690-L694 PolarHBondContact O-N 3.48Å; Y691-L694 PolarHBondContact O-N 2.9Å; L694-E697 PolarHBondContact O-N 2.96Å; L694-R698 WeakPolarHBondContact O-CB 3.39Å; L694-R698 PolarHBondContact O-N 2.85Å
695	L	89.6	Confident	86.7	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-68.6	-40.1	-178.4	-157.1	160.5	0	0	0	111	L632 Y691 H693 E697 R698 V699 V718 D721	L632-L695 HydrophobicContact CD2-CD2 4.37Å; L632-L695 HydrophobicContact CD2-CG 4.45Å; Y691-L695 HydrophobicContact CD1-CD1 4.24Å; Y691-L695 HydrophobicContact CE1-CD1 3.42Å; Y691-L695 VanDerWaalsContact CE1-CD1 3.42Å; Y691-L695 HydrophobicContact CE2-CD1 4.26Å; Y691-L695 VanDerWaalsContact CZ-CD1 3.43Å; Y691-L695 VanDerWaalsContact O-CB 3.26Å; Y691-L695 WeakPolarHBondContact O-CB 3.09Å; Y691-L695 PolarHBondContact O-N 2.74Å; Y691-L695 VanDerWaalsContact OH-CD1 3.32Å; Y691-L695 WeakPolarHBondContact OH-CD1 3.39Å; H693-L695 VanDerWaalsContact C-N 3.32Å; H693-L695 PolarHBondContact O-N 2.99Å; L695-E697 PolarHBondContact O-N 3.25Å; L695-R698 PolarHBondContact O-N 3.48Å; L695-V699 HydrophobicContact CD2-CG2 4.02Å; L695-V699 VanDerWaalsContact O-CG2 3.25Å; L695-V699 WeakPolarHBondContact O-CG2 3.05Å; L695-V699 PolarHBondContact O-N 2.97Å; L695-V718 HydrophobicContact CD2-CB 3.75Å; L695-V718 HydrophobicContact CD2-CG1 3.28Å; L695-V718 HydrophobicContact CD2-CG2 3.5Å; L695-V718 VanDerWaalsContact CD2-CG2 3.5Å; L695-D721 HydrophobicContact CD1-CB 3.87Å
696	K	86	Confident	85.8	Confident	85 Å²	85	57.3 Å²	57.3	37%	0.37	28%	0.281	S	S	.	.	H	α-helix	trans	-57.9	-46.7	170.7	-78.4	174.4	163.1	-169	0	113.4	C692 H693 R698 V699 R700 E772	C692-K696 WeakPolarHBondContact O-CG 3.31Å; C692-K696 PolarHBondContact O-N 3.3Å; H693-K696 PolarHBondContact O-N 3.35Å; K696-R698 VanDerWaalsContact C-N 3.31Å; K696-V699 PolarHBondContact O-N 3.39Å; K696-R700 PolarHBondContact O-N 2.81Å; K696-E772 WeakPolarHBondContact CE-OE1 3.43Å; K696-E772 WeakPolarHBondContact CE-OE2 3.33Å; K696-E772 IonicContact NZ-OE1 3.87Å; K696-E772 PolarHBondContact NZ-OE1 3.21Å; K696-E772 IonicContact NZ-OE2 2.68Å; K696-E772 PolarHBondContact NZ-OE2 2.6Å
697	E	86.8	Confident	85.1	Confident	110 Å²	110	58.8 Å²	58.8	51%	0.514	29%	0.294	S	S	.	.	H	α-helix	trans	-65.1	-40.2	179	-170.6	60.3	-160.6	0	0	110.6	H693 L694 L695 V699 R700 V701	H693-E697 PolarHBondContact O-N 3.18Å; L694-E697 PolarHBondContact O-N 2.96Å; L695-E697 PolarHBondContact O-N 3.25Å; E697-V699 PolarHBondContact O-N 2.81Å; E697-R700 WeakPolarHBondContact O-CB 3.49Å; E697-R700 PolarHBondContact O-N 3.48Å; E697-V701 WeakPolarHBondContact O-CG2 3.38Å; E697-V701 PolarHBondContact O-N 2.97Å
698	R	88.5	Confident	84	Confident	65 Å²	65	63 Å²	63	25%	0.245	31%	0.313	C	S	.	.	H	α-helix	trans	-61	-45.6	176.7	-175.1	57.8	172.2	171.7	-1.3	112.4	V627 Q628 D630 L632 L694 L695 K696 R700 V701 L702	V627-R698 HydrophobicContact CG1-CB 4.06Å; V627-R698 HydrophobicContact CG1-CG 4.35Å; Q628-R698 PolarHBondContact O-NH2 3.24Å; Q628-R698 VanDerWaalsContact O-NH2 3.12Å; D630-R698 PolarHBondContact O-NE 3.43Å; D630-R698 PolarHBondContact O-NH2 3.39Å; L632-R698 HydrophobicContact CD1-CG 4.35Å; L694-R698 WeakPolarHBondContact O-CB 3.39Å; L694-R698 PolarHBondContact O-N 2.85Å; L695-R698 PolarHBondContact O-N 3.48Å; K696-R698 VanDerWaalsContact C-N 3.31Å; R698-R700 VanDerWaalsContact C-N 3.33Å; R698-R700 PolarHBondContact O-N 3.49Å; R698-V701 PolarHBondContact O-N 2.75Å; R698-L702 HydrophobicContact CG-CD1 4.15Å; R698-L702 WeakPolarHBondContact O-CG 3.49Å; R698-L702 PolarHBondContact O-N 3.13Å
699	V	86.9	Confident	83	Confident	14 Å²	14	65.9 Å²	65.9	9%	0.085	33%	0.333	C	S	.	.	H	α-helix	trans	-59.6	-46.3	175.3	172.9	0	0	0	0	110.8	L632 L695 K696 E697 V701 L702 S703 L715 V718	L632-V699 HydrophobicContact CD1-CB 4.32Å; L632-V699 HydrophobicContact CD1-CG2 3.46Å; L632-V699 VanDerWaalsContact CD1-CG2 3.46Å; L695-V699 HydrophobicContact CD2-CG2 4.02Å; L695-V699 VanDerWaalsContact O-CG2 3.25Å; L695-V699 WeakPolarHBondContact O-CG2 3.05Å; L695-V699 PolarHBondContact O-N 2.97Å; K696-V699 PolarHBondContact O-N 3.39Å; E697-V699 PolarHBondContact O-N 2.81Å; V699-V701 PolarHBondContact O-N 2.9Å; V699-L702 PolarHBondContact O-N 3.5Å; V699-S703 WeakPolarHBondContact O-CB 3.37Å; V699-S703 PolarHBondContact O-N 3.32Å; V699-S703 PolarHBondContact O-OG 3.01Å; V699-L715 HydrophobicContact CG1-CD2 3.76Å; V699-L715 HydrophobicContact CG1-CG 4.4Å; V699-V718 HydrophobicContact CB-CG2 4.49Å; V699-V718 HydrophobicContact CG2-CB 4.24Å; V699-V718 HydrophobicContact CG2-CG1 4.28Å; V699-V718 HydrophobicContact CG2-CG2 3.1Å
700	R	84.1	Confident	82.4	Confident	146 Å²	146	67.9 Å²	67.9	55%	0.551	34%	0.342	S	S	*	.	H	α-helix	trans	-56.9	-51.4	-179.6	-173.2	-178.4	178.8	162.2	3.1	110.9	K696 E697 R698 L702 S703 E704	K696-R700 PolarHBondContact O-N 2.81Å; E697-R700 WeakPolarHBondContact O-CB 3.49Å; E697-R700 PolarHBondContact O-N 3.48Å; R698-R700 VanDerWaalsContact C-N 3.33Å; R698-R700 PolarHBondContact O-N 3.49Å; R700-L702 PolarHBondContact O-N 2.79Å; R700-S703 PolarHBondContact O-N 2.76Å; R700-S703 PolarHBondContact O-OG 3.42Å; R700-E704 IonicContact NE-OE1 2.84Å; R700-E704 PolarHBondContact NE-OE1 3.45Å; R700-E704 WeakPolarHBondContact O-CG 3.41Å; R700-E704 PolarHBondContact O-N 3.47Å; R700-E704 VanDerWaalsContact O-N 3.09Å
701	V	84.5	Confident	81.7	Confident	66 Å²	66	66.2 Å²	66.2	40%	0.4	33%	0.334	S	S	.	.	H	α-helix	trans	-60.2	-41.5	179.6	172.6	0	0	0	0	112.6	E697 R698 V699	E697-V701 WeakPolarHBondContact O-CG2 3.38Å; E697-V701 PolarHBondContact O-N 2.97Å; R698-V701 PolarHBondContact O-N 2.75Å; V699-V701 PolarHBondContact O-N 2.9Å
702	L	82.1	Confident	81	Confident	38 Å²	38	66.2 Å²	66.2	20%	0.199	33%	0.334	C	S	.	.	H	α-helix	trans	-75.4	-34.2	179.5	-68.1	176.1	0	0	0	112.2	L632 R698 V699 R700 S706 M714	L632-L702 HydrophobicContact CD1-CD1 3.96Å; L632-L702 HydrophobicContact CG-CD1 4.2Å; R698-L702 HydrophobicContact CG-CD1 4.15Å; R698-L702 WeakPolarHBondContact O-CG 3.49Å; R698-L702 PolarHBondContact O-N 3.13Å; V699-L702 PolarHBondContact O-N 3.5Å; R700-L702 PolarHBondContact O-N 2.79Å; L702-S706 WeakPolarHBondContact O-CB 3.34Å; L702-S706 PolarHBondContact O-OG 3.2Å; L702-M714 HydrophobicContact CB-CE 4.1Å; L702-M714 HydrophobicContact CB-SD 3.67Å; L702-M714 HydrophobicContact CD1-SD 4.38Å
703	S	80.4	Confident	80.7	Confident	41 Å²	41	68 Å²	68	29%	0.287	34%	0.344	S	S	.	.	H	α-helix	trans	-72.9	-32.1	-179.1	70	0	0	0	0	113.8	V699 R700 N705 S706	V699-S703 WeakPolarHBondContact O-CB 3.37Å; V699-S703 PolarHBondContact O-N 3.32Å; V699-S703 PolarHBondContact O-OG 3.01Å; R700-S703 PolarHBondContact O-N 2.76Å; R700-S703 PolarHBondContact O-OG 3.42Å; S703-N705 PolarHBondContact O-N 3.37Å; S703-S706 PolarHBondContact O-N 2.75Å
704	E	76.9	Confident	80.4	Confident	129 Å²	129	64.4 Å²	64.4	60%	0.603	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.3	-179.2	-78.3	175.5	-173.6	0	0	113.1	R700	R700-E704 IonicContact NE-OE1 2.84Å; R700-E704 PolarHBondContact NE-OE1 3.45Å; R700-E704 WeakPolarHBondContact O-CG 3.41Å; R700-E704 PolarHBondContact O-N 3.47Å; R700-E704 VanDerWaalsContact O-N 3.09Å
705	N	66.6	Low	80.1	Confident	146 Å²	146	62.8 Å²	62.8	78%	0.781	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	5.2	-177.3	-62.9	-56.1	0	0	0	114.2	S703	S703-N705 PolarHBondContact O-N 3.37Å
706	S	73.6	Confident	79.9	Confident	42 Å²	42	62.7 Å²	62.7	29%	0.294	32%	0.318	S	S	.	.	S	Bend	trans	-113.7	155.9	-171.3	-61.4	0	0	0	0	112.7	L702 S703	L702-S706 WeakPolarHBondContact O-CB 3.34Å; L702-S706 PolarHBondContact O-OG 3.2Å; S703-S706 PolarHBondContact O-N 2.75Å
707	D	75.7	Confident	80	Confident	124 Å²	124	58.9 Å²	58.9	66%	0.663	30%	0.302	S	S	*	.			trans	-62.3	153.9	171.7	-69.5	-31.6	0	0	0	111.7	S709 I710 A711	D707-S709 VanDerWaalsContact C-N 3.31Å; D707-S709 PolarHBondContact O-N 2.85Å; D707-I710 HydrophobicContact CB-CD1 4.12Å; D707-I710 HydrophobicContact CB-CG1 4.27Å; D707-I710 WeakPolarHBondContact O-CB 3.3Å; D707-I710 PolarHBondContact O-N 3.06Å; D707-A711 PolarHBondContact O-N 3.05Å
708	H	69	Low	80.1	Confident	88 Å²	88	54 Å²	54	41%	0.407	28%	0.279	S	S	.	.	H	α-helix	trans	-56.5	-42.2	-174.6	-154.5	68.7	0	0	0	113.2	I710 A711 I712 D787	H708-I710 PolarHBondContact O-N 3.28Å; H708-A711 PolarHBondContact O-N 3.28Å; H708-I712 WeakPolarHBondContact O-CG1 3.44Å; H708-I712 PolarHBondContact O-N 2.96Å; H708-I712 VanDerWaalsContact O-N 3.12Å; H708-D787 IonicContact CD2-OD2 3.22Å; H708-D787 PolarHBondContact CD2-OD2 3.15Å; H708-D787 IonicContact NE2-OD1 3.99Å; H708-D787 IonicContact NE2-OD2 2.62Å
709	S	70.3	Confident	80.1	Confident	61 Å²	61	50.9 Å²	50.9	43%	0.427	27%	0.268	S	S	.	.	H	α-helix	trans	-64.9	-37.8	177.1	177.6	0	0	0	0	112.3	D707 A711 I712 N713	D707-S709 VanDerWaalsContact C-N 3.31Å; D707-S709 PolarHBondContact O-N 2.85Å; S709-A711 VanDerWaalsContact C-N 3.35Å; S709-I712 PolarHBondContact O-N 2.71Å; S709-N713 PolarHBondContact O-N 3.11Å; S709-N713 VanDerWaalsContact O-N 3.08Å; S709-N713 PolarHBondContact O-ND2 3.33Å; S709-N713 PolarHBondContact O-OD1 3.31Å
710	I	76.1	Confident	80.2	Confident	73 Å²	73	50.3 Å²	50.3	37%	0.374	26%	0.264	S	S	.	.	H	α-helix	trans	-68.6	-38.2	177.5	-58.9	174.9	0	0	0	110.2	D707 H708 N713 M714	D707-I710 HydrophobicContact CB-CD1 4.12Å; D707-I710 HydrophobicContact CB-CG1 4.27Å; D707-I710 WeakPolarHBondContact O-CB 3.3Å; D707-I710 PolarHBondContact O-N 3.06Å; H708-I710 PolarHBondContact O-N 3.28Å; I710-N713 WeakPolarHBondContact O-CB 3.07Å; I710-N713 PolarHBondContact O-N 2.83Å; I710-M714 HydrophobicContact CG2-CE 3.66Å; I710-M714 WeakPolarHBondContact O-CG 3.46Å; I710-M714 PolarHBondContact O-N 2.92Å
711	A	78	Confident	80.5	Confident	7 Å²	7	43.4 Å²	43.4	6%	0.058	24%	0.238	C	C	.	.	H	α-helix	trans	-63.5	-40.3	176.4	0	0	0	0	0	112.5	D707 H708 S709 N713 M714 L715	D707-A711 PolarHBondContact O-N 3.05Å; H708-A711 PolarHBondContact O-N 3.28Å; S709-A711 VanDerWaalsContact C-N 3.35Å; A711-N713 VanDerWaalsContact C-N 3.35Å; A711-M714 PolarHBondContact O-N 2.91Å; A711-L715 WeakPolarHBondContact O-CG 3.48Å; A711-L715 PolarHBondContact O-N 3.14Å
712	I	77.1	Confident	80.8	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-62.8	-43.1	174.1	-66.9	169	0	0	0	110.5	H708 S709 M714 L715 C716 L784	H708-I712 WeakPolarHBondContact O-CG1 3.44Å; H708-I712 PolarHBondContact O-N 2.96Å; H708-I712 VanDerWaalsContact O-N 3.12Å; S709-I712 PolarHBondContact O-N 2.71Å; I712-M714 PolarHBondContact O-N 3.13Å; I712-L715 PolarHBondContact O-N 3.27Å; I712-C716 PolarHBondContact O-N 3.01Å; I712-C716 PolarHBondContact O-SG 3.38Å; I712-L784 HydrophobicContact CD1-CD2 4.46Å
713	N	82	Confident	81	Confident	41 Å²	41	39.8 Å²	39.8	22%	0.219	22%	0.216	C	C	.	.	H	α-helix	trans	-61.1	-45.1	178.1	-65.1	-6.8	0	0	0	111.8	S709 I710 A711 C716 V717 Y823	S709-N713 PolarHBondContact O-N 3.11Å; S709-N713 VanDerWaalsContact O-N 3.08Å; S709-N713 PolarHBondContact O-ND2 3.33Å; S709-N713 PolarHBondContact O-OD1 3.31Å; I710-N713 WeakPolarHBondContact O-CB 3.07Å; I710-N713 PolarHBondContact O-N 2.83Å; A711-N713 VanDerWaalsContact C-N 3.35Å; N713-C716 WeakPolarHBondContact O-CB 3.33Å; N713-C716 PolarHBondContact O-N 3.25Å; N713-V717 PolarHBondContact O-N 2.81Å; N713-Y823 HydrophobicContact CB-CE1 4.2Å; N713-Y823 VanDerWaalsContact CB-OH 3.29Å; N713-Y823 WeakPolarHBondContact CB-OH 3.38Å; N713-Y823 WeakPolarHBondContact OD1-CE1 3.18Å; N713-Y823 PolarHBondContact OD1-OH 3.43Å
714	M	84	Confident	81.4	Confident	23 Å²	23	39.9 Å²	39.9	11%	0.113	21%	0.212	C	C	.	.	H	α-helix	trans	-62.1	-44.2	175.8	-69.2	-178.7	-176.5	0	0	111.4	L632 L702 I710 A711 I712 C716 V717 V718	L632-M714 HydrophobicContact CB-CB 4.39Å; L632-M714 HydrophobicContact CB-CG 4.3Å; L632-M714 HydrophobicContact CD1-CB 4.47Å; L702-M714 HydrophobicContact CB-CE 4.1Å; L702-M714 HydrophobicContact CB-SD 3.67Å; L702-M714 HydrophobicContact CD1-SD 4.38Å; I710-M714 HydrophobicContact CG2-CE 3.66Å; I710-M714 WeakPolarHBondContact O-CG 3.46Å; I710-M714 PolarHBondContact O-N 2.92Å; A711-M714 PolarHBondContact O-N 2.91Å; I712-M714 PolarHBondContact O-N 3.13Å; M714-C716 VanDerWaalsContact C-N 3.27Å; M714-C716 PolarHBondContact O-N 3.25Å; M714-V717 PolarHBondContact O-N 3.06Å; M714-V718 WeakPolarHBondContact O-CG2 3.28Å; M714-V718 PolarHBondContact O-N 2.74Å
715	L	83.7	Confident	82	Confident	17 Å²	17	33.8 Å²	33.8	9%	0.089	18%	0.184	C	C	.	.	H	α-helix	trans	-61.6	-33.7	177.1	-74.7	169.7	0	0	0	112.7	V699 A711 I712 V718 V719 T779 L780	V699-L715 HydrophobicContact CG1-CD2 3.76Å; V699-L715 HydrophobicContact CG1-CG 4.4Å; A711-L715 WeakPolarHBondContact O-CG 3.48Å; A711-L715 PolarHBondContact O-N 3.14Å; I712-L715 PolarHBondContact O-N 3.27Å; L715-V718 WeakPolarHBondContact O-CB 3.42Å; L715-V718 PolarHBondContact O-N 3.42Å; L715-V719 WeakPolarHBondContact O-CG2 3.25Å; L715-V719 PolarHBondContact O-N 3.01Å; L715-V719 VanDerWaalsContact O-N 3.08Å; L715-T779 HydrophobicContact CD1-CG2 4.42Å; L715-L780 HydrophobicContact CB-CD1 4.41Å
716	C	85.4	Confident	83.1	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.7	-45.9	174.4	-67.2	0	0	0	0	112	I712 N713 M714 V718 V719 N720 L828	I712-C716 PolarHBondContact O-N 3.01Å; I712-C716 PolarHBondContact O-SG 3.38Å; N713-C716 WeakPolarHBondContact O-CB 3.33Å; N713-C716 PolarHBondContact O-N 3.25Å; M714-C716 VanDerWaalsContact C-N 3.27Å; M714-C716 PolarHBondContact O-N 3.25Å; C716-V718 VanDerWaalsContact C-N 3.29Å; C716-V718 PolarHBondContact O-N 2.92Å; C716-V719 PolarHBondContact O-N 3.32Å; C716-N720 VanDerWaalsContact O-CG 3.27Å; C716-N720 PolarHBondContact O-N 3.04Å; C716-N720 VanDerWaalsContact O-N 3.11Å; C716-N720 PolarHBondContact O-ND2 3.34Å; C716-L828 HydrophobicContact CB-CD2 3.76Å; C716-L828 HydrophobicContact CB-CG 4.17Å
717	V	88.1	Confident	83.7	Confident	4 Å²	4	30.5 Å²	30.5	2%	0.024	16%	0.161	C	C	.	.	H	α-helix	trans	-60.8	-41.7	177.3	177	0	0	0	0	110.6	L632 P634 N713 M714 V719 N720 D721	L632-V717 WeakPolarHBondContact O-CG2 3.07Å; P634-V717 HydrophobicContact CB-CG2 4.48Å; N713-V717 PolarHBondContact O-N 2.81Å; M714-V717 PolarHBondContact O-N 3.06Å; V717-V719 PolarHBondContact O-N 3.44Å; V717-N720 CarbonylContact O-C 3.59Å; V717-N720 WeakPolarHBondContact O-CA 3.41Å; V717-N720 WeakPolarHBondContact O-CB 3.41Å; V717-N720 PolarHBondContact O-N 3.44Å; V717-N720 VanDerWaalsContact O-N 3.09Å; V717-D721 VanDerWaalsContact O-CG 3.22Å; V717-D721 PolarHBondContact O-N 3.01Å
718	V	89.2	Confident	84.3	Confident	7 Å²	7	24.8 Å²	24.8	4%	0.042	13%	0.13	C	C	.	.	H	α-helix	trans	-60	-45.5	177.6	169.3	0	0	0	0	112.3	L632 L695 V699 M714 L715 C716 N720 D721 L722	L632-V718 HydrophobicContact CD1-CG2 4.07Å; L632-V718 HydrophobicContact CD2-CG2 4.3Å; L695-V718 HydrophobicContact CD2-CB 3.75Å; L695-V718 HydrophobicContact CD2-CG1 3.28Å; L695-V718 HydrophobicContact CD2-CG2 3.5Å; L695-V718 VanDerWaalsContact CD2-CG2 3.5Å; V699-V718 HydrophobicContact CB-CG2 4.49Å; V699-V718 HydrophobicContact CG2-CB 4.24Å; V699-V718 HydrophobicContact CG2-CG1 4.28Å; V699-V718 HydrophobicContact CG2-CG2 3.1Å; M714-V718 WeakPolarHBondContact O-CG2 3.28Å; M714-V718 PolarHBondContact O-N 2.74Å; L715-V718 WeakPolarHBondContact O-CB 3.42Å; L715-V718 PolarHBondContact O-N 3.42Å; C716-V718 VanDerWaalsContact C-N 3.29Å; C716-V718 PolarHBondContact O-N 2.92Å; V718-N720 VanDerWaalsContact C-N 3.25Å; V718-N720 PolarHBondContact O-N 3.03Å; V718-D721 PolarHBondContact O-N 3.01Å; V718-L722 HydrophobicContact CG1-CD1 4.28Å; V718-L722 WeakPolarHBondContact O-CG 3.37Å; V718-L722 PolarHBondContact O-N 3.3Å
719	V	89	Confident	85.2	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.8	-39.7	176.3	168.2	0	0	0	0	110.4	L715 C716 V717 E723 I773 A776 L777 L828 N832	L715-V719 WeakPolarHBondContact O-CG2 3.25Å; L715-V719 PolarHBondContact O-N 3.01Å; L715-V719 VanDerWaalsContact O-N 3.08Å; C716-V719 PolarHBondContact O-N 3.32Å; V717-V719 PolarHBondContact O-N 3.44Å; V719-E723 VanDerWaalsContact O-CB 3.3Å; V719-E723 WeakPolarHBondContact O-CB 3.22Å; V719-E723 PolarHBondContact O-N 3.36Å; V719-I773 HydrophobicContact CG1-CG2 4.44Å; V719-A776 HydrophobicContact CG2-CB 3.71Å; V719-L777 HydrophobicContact CG1-CD2 4.1Å; V719-L777 HydrophobicContact CG1-CG 4.3Å; V719-L777 HydrophobicContact CG2-CD2 4.21Å; V719-L777 HydrophobicContact CG2-CG 4.24Å; V719-L828 HydrophobicContact CB-CD2 4.02Å; V719-L828 HydrophobicContact CG1-CD2 3.97Å; V719-N832 HydrophobicContact CG1-CB 3.96Å; V719-N832 VanDerWaalsContact CG1-ND2 3.34Å; V719-N832 WeakPolarHBondContact CG1-ND2 3.13Å
720	N	89.3	Confident	86.2	Confident	3 Å²	3	21.5 Å²	21.5	2%	0.016	11%	0.114	C	C	.	.	H	α-helix	trans	-69.1	-37.4	176.4	-61.1	-31.8	0	0	0	113	K643 H644 C716 V717 V718 E723 H724 N827 V829	K643-N720 WeakPolarHBondContact CB-ND2 3.31Å; K643-N720 WeakPolarHBondContact O-CB 3.13Å; K643-N720 PolarHBondContact O-ND2 3.49Å; H644-N720 HydrophobicContact CB-CB 4.28Å; C716-N720 VanDerWaalsContact O-CG 3.27Å; C716-N720 PolarHBondContact O-N 3.04Å; C716-N720 VanDerWaalsContact O-N 3.11Å; C716-N720 PolarHBondContact O-ND2 3.34Å; V717-N720 CarbonylContact O-C 3.59Å; V717-N720 WeakPolarHBondContact O-CA 3.41Å; V717-N720 WeakPolarHBondContact O-CB 3.41Å; V717-N720 PolarHBondContact O-N 3.44Å; V717-N720 VanDerWaalsContact O-N 3.09Å; V718-N720 VanDerWaalsContact C-N 3.25Å; V718-N720 PolarHBondContact O-N 3.03Å; N720-E723 PolarHBondContact O-N 3.38Å; N720-H724 WeakPolarHBondContact O-CB 3.34Å; N720-H724 PolarHBondContact O-N 2.99Å; N720-N827 PolarHBondContact ND2-O 3.11Å; N720-V829 PolarHBondContact OD1-N 2.83Å; N720-V829 VanDerWaalsContact OD1-N 3.11Å
721	D	89.8	Confident	86.8	Confident	1 Å²	1	23.3 Å²	23.3	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-62.5	-46.3	176.7	-68.9	-7.9	0	0	0	110.9	H644 S645 A648 L695 V717 V718 E723 H724 L725	H644-D721 WeakPolarHBondContact CA-OD1 3.27Å; H644-D721 WeakPolarHBondContact CB-OD1 3.1Å; S645-D721 WeakPolarHBondContact CB-OD2 3.35Å; S645-D721 PolarHBondContact N-OD1 3.21Å; S645-D721 PolarHBondContact OG-OD1 3.38Å; S645-D721 PolarHBondContact OG-OD2 3.16Å; A648-D721 HydrophobicContact CB-CB 3.95Å; L695-D721 HydrophobicContact CD1-CB 3.87Å; V717-D721 VanDerWaalsContact O-CG 3.22Å; V717-D721 PolarHBondContact O-N 3.01Å; V718-D721 PolarHBondContact O-N 3.01Å; D721-E723 VanDerWaalsContact C-N 3.34Å; D721-E723 PolarHBondContact O-N 3.43Å; D721-H724 PolarHBondContact O-N 3.42Å; D721-L725 PolarHBondContact O-N 3.38Å
722	L	89.6	Confident	87.3	Confident	7 Å²	7	23.1 Å²	23.1	4%	0.037	11%	0.114	C	C	.	.	H	α-helix	trans	-64.8	-38.6	176	-65.4	177.5	0	0	0	111.7	C692 V718 L725 R726 L769 E772 I773	C692-L722 HydrophobicContact CB-CD2 4.21Å; V718-L722 HydrophobicContact CG1-CD1 4.28Å; V718-L722 WeakPolarHBondContact O-CG 3.37Å; V718-L722 PolarHBondContact O-N 3.3Å; L722-L725 PolarHBondContact O-N 3.15Å; L722-R726 PolarHBondContact O-N 2.97Å; L722-L769 WeakPolarHBondContact O-CD2 3.22Å; L722-E772 HydrophobicContact CD1-CB 4.16Å; L722-I773 HydrophobicContact CB-CD1 4.2Å; L722-I773 HydrophobicContact CB-CG1 3.59Å; L722-I773 HydrophobicContact CD1-CG1 4.26Å
723	E	88.2	Confident	88	Confident	20 Å²	20	24.5 Å²	24.5	9%	0.093	12%	0.123	C	C	.	.	H	α-helix	trans	-68.2	-40.6	176.6	-175.1	50.5	-135.3	0	0	112.1	V719 N720 D721 L725 R726 S727 V829	V719-E723 VanDerWaalsContact O-CB 3.3Å; V719-E723 WeakPolarHBondContact O-CB 3.22Å; V719-E723 PolarHBondContact O-N 3.36Å; N720-E723 PolarHBondContact O-N 3.38Å; D721-E723 VanDerWaalsContact C-N 3.34Å; D721-E723 PolarHBondContact O-N 3.43Å; E723-L725 VanDerWaalsContact C-N 3.27Å; E723-L725 PolarHBondContact O-N 2.89Å; E723-R726 VanDerWaalsContact CD-NE 3.3Å; E723-R726 WeakPolarHBondContact O-CB 3.34Å; E723-R726 PolarHBondContact O-N 3.02Å; E723-R726 IonicContact OE1-CZ 2.94Å; E723-R726 IonicContact OE1-NE 3.71Å; E723-R726 PolarHBondContact OE1-NE 2.81Å; E723-R726 IonicContact OE1-NH2 2.68Å; E723-R726 PolarHBondContact OE1-NH2 3.24Å; E723-R726 IonicContact OE2-CZ 3.78Å; E723-R726 IonicContact OE2-NE 3.27Å; E723-R726 PolarHBondContact OE2-NE 3.31Å; E723-R726 IonicContact OE2-NH2 2.77Å; E723-S727 PolarHBondContact O-N 3.03Å; E723-V829 HydrophobicContact CG-CB 4.42Å; E723-V829 HydrophobicContact CG-CG1 4.36Å; E723-V829 HydrophobicContact CG-CG2 4.14Å
724	H	88.1	Confident	88.3	Confident	43 Å²	43	26.9 Å²	26.9	20%	0.199	14%	0.143	C	C	.	.	H	α-helix	trans	-58.4	-43	172.7	-173.1	71.3	0	0	0	110.8	H644 N720 D721 R726 S727 V728	H644-H724 AromaticContact CE1-CE1 3.75Å; H644-H724 AromaticContact CE1-CG 3.97Å; H644-H724 AromaticContact CE1-ND1 3.48Å; H644-H724 PolarHBondContact CE1-ND1 3.05Å; H644-H724 AromaticContact ND1-ND1 3.88Å; H644-H724 AromaticContact NE2-CE1 3.82Å; H644-H724 AromaticContact NE2-ND1 3.88Å; N720-H724 WeakPolarHBondContact O-CB 3.34Å; N720-H724 PolarHBondContact O-N 2.99Å; D721-H724 PolarHBondContact O-N 3.42Å; H724-R726 PolarHBondContact O-N 2.68Å; H724-S727 VanDerWaalsContact O-CB 3.3Å; H724-S727 WeakPolarHBondContact O-CB 3.45Å; H724-S727 PolarHBondContact O-N 3.35Å; H724-V728 VanDerWaalsContact O-CG2 3.29Å; H724-V728 WeakPolarHBondContact O-CG2 3.33Å; H724-V728 PolarHBondContact O-N 2.9Å
725	L	88.8	Confident	88.4	Confident	2 Å²	2	28.7 Å²	28.7	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-65.8	-37.4	177.5	-170.9	50.1	0	0	0	113.3	L651 V688 Y691 D721 L722 E723 S727 V728 L729 L769	L651-L725 HydrophobicContact CD2-CD1 3.38Å; L651-L725 HydrophobicContact CD2-CD2 3.51Å; L651-L725 HydrophobicContact CD2-CG 3.99Å; L651-L725 HydrophobicContact CG-CD1 4.2Å; V688-L725 HydrophobicContact CB-CD2 4.2Å; V688-L725 HydrophobicContact CG1-CD1 4.2Å; V688-L725 HydrophobicContact CG1-CD2 3.48Å; V688-L725 VanDerWaalsContact CG1-CD2 3.48Å; V688-L725 HydrophobicContact CG1-CG 3.76Å; V688-L725 HydrophobicContact CG2-CD1 3.76Å; V688-L725 HydrophobicContact CG2-CD2 4.22Å; V688-L725 HydrophobicContact CG2-CG 4.27Å; Y691-L725 HydrophobicContact CD1-CD2 3.56Å; Y691-L725 HydrophobicContact CE1-CD2 4.07Å; Y691-L725 HydrophobicContact CG-CD2 4.42Å; D721-L725 PolarHBondContact O-N 3.38Å; L722-L725 PolarHBondContact O-N 3.15Å; E723-L725 VanDerWaalsContact C-N 3.27Å; E723-L725 PolarHBondContact O-N 2.89Å; L725-S727 VanDerWaalsContact C-N 3.29Å; L725-S727 PolarHBondContact O-N 3.46Å; L725-V728 HydrophobicContact CD1-CB 4.4Å; L725-V728 PolarHBondContact O-N 2.65Å; L725-L729 PolarHBondContact O-N 3.03Å; L725-L769 HydrophobicContact CB-CD2 3.79Å; L725-L769 HydrophobicContact CD2-CD2 4.04Å; L725-L769 HydrophobicContact CG-CD2 3.76Å
726	R	89.4	Confident	88.6	Confident	72 Å²	72	27.9 Å²	27.9	27%	0.272	15%	0.147	S	C	.	.	H	α-helix	trans	-58.9	-41.7	171.9	-170.8	-175.8	74.9	119.6	-5.8	111.5	L722 E723 H724 T730 L769 E831	L722-R726 PolarHBondContact O-N 2.97Å; E723-R726 VanDerWaalsContact CD-NE 3.3Å; E723-R726 WeakPolarHBondContact O-CB 3.34Å; E723-R726 PolarHBondContact O-N 3.02Å; E723-R726 IonicContact OE1-CZ 2.94Å; E723-R726 IonicContact OE1-NE 3.71Å; E723-R726 PolarHBondContact OE1-NE 2.81Å; E723-R726 IonicContact OE1-NH2 2.68Å; E723-R726 PolarHBondContact OE1-NH2 3.24Å; E723-R726 IonicContact OE2-CZ 3.78Å; E723-R726 IonicContact OE2-NE 3.27Å; E723-R726 PolarHBondContact OE2-NE 3.31Å; E723-R726 IonicContact OE2-NH2 2.77Å; H724-R726 PolarHBondContact O-N 2.68Å; R726-T730 PolarHBondContact O-N 2.98Å; R726-T730 VanDerWaalsContact O-N 3.11Å; R726-T730 PolarHBondContact O-OG1 3.02Å; R726-L769 HydrophobicContact CB-CD2 4.28Å; R726-E831 IonicContact NH2-OE2 3.33Å; R726-E831 PolarHBondContact NH2-OE2 3.27Å
727	S	87.9	Confident	88.7	Confident	46 Å²	46	32.4 Å²	32.4	32%	0.322	17%	0.171	S	C	.	.	H	α-helix	trans	-62.9	-44	174.8	-172.1	0	0	0	0	111.8	E723 H724 L725 T730 R731	E723-S727 PolarHBondContact O-N 3.03Å; H724-S727 VanDerWaalsContact O-CB 3.3Å; H724-S727 WeakPolarHBondContact O-CB 3.45Å; H724-S727 PolarHBondContact O-N 3.35Å; L725-S727 VanDerWaalsContact C-N 3.29Å; L725-S727 PolarHBondContact O-N 3.46Å; S727-T730 WeakPolarHBondContact O-CB 3.46Å; S727-T730 PolarHBondContact O-N 2.95Å; S727-T730 VanDerWaalsContact O-N 3.13Å; S727-R731 PolarHBondContact O-N 2.82Å; S727-R731 PolarHBondContact OG-NH1 2.82Å
728	V	86.6	Confident	88.8	Confident	4 Å²	4	32.8 Å²	32.8	2%	0.024	17%	0.172	C	C	.	.	H	α-helix	trans	-62.2	-48.4	178.3	174.3	0	0	0	0	111.4	V652 H724 L725 T730 R731 L732	V652-V728 HydrophobicContact CG2-CB 4.48Å; V652-V728 HydrophobicContact CG2-CG1 4.27Å; V652-V728 HydrophobicContact CG2-CG2 3.44Å; V652-V728 VanDerWaalsContact CG2-CG2 3.44Å; H724-V728 VanDerWaalsContact O-CG2 3.29Å; H724-V728 WeakPolarHBondContact O-CG2 3.33Å; H724-V728 PolarHBondContact O-N 2.9Å; L725-V728 HydrophobicContact CD1-CB 4.4Å; L725-V728 PolarHBondContact O-N 2.65Å; V728-T730 PolarHBondContact O-N 3.12Å; V728-R731 PolarHBondContact O-N 3.29Å; V728-L732 PolarHBondContact O-N 3.07Å
729	L	89.6	Confident	88.6	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-60.3	-28.8	174.7	-76.3	-174.2	0	0	0	112.7	V684 V688 L725 R731 L732 L762 A765 K766 L769	V684-L729 HydrophobicContact CG1-CD2 4.32Å; V688-L729 HydrophobicContact CG1-CD1 3.77Å; V688-L729 HydrophobicContact CG1-CD2 4.48Å; V688-L729 HydrophobicContact CG1-CG 4.29Å; V688-L729 HydrophobicContact CG2-CD2 4.09Å; L725-L729 PolarHBondContact O-N 3.03Å; L729-R731 VanDerWaalsContact C-N 3.33Å; L729-L732 HydrophobicContact CD2-CD2 4.28Å; L729-L732 PolarHBondContact O-N 3.31Å; L729-L762 HydrophobicContact CB-CD1 4.07Å; L729-L762 HydrophobicContact CD2-CD1 3.96Å; L729-L762 HydrophobicContact CG-CD1 4.45Å; L729-A765 HydrophobicContact CD1-CB 4.1Å; L729-K766 HydrophobicContact CB-CG 4.27Å; L729-K766 HydrophobicContact CD1-CG 4.21Å; L729-L769 HydrophobicContact CD1-CD1 3.8Å
730	T	89.5	Confident	88.4	Confident	80 Å²	80	37.6 Å²	37.6	49%	0.491	20%	0.2	S	C	.	.	H	α-helix	trans	-72.7	-28.5	176.4	-58.6	0	0	0	0	112.5	R726 S727 V728 K766	R726-T730 PolarHBondContact O-N 2.98Å; R726-T730 VanDerWaalsContact O-N 3.11Å; R726-T730 PolarHBondContact O-OG1 3.02Å; S727-T730 WeakPolarHBondContact O-CB 3.46Å; S727-T730 PolarHBondContact O-N 2.95Å; S727-T730 VanDerWaalsContact O-N 3.13Å; V728-T730 PolarHBondContact O-N 3.12Å; T730-K766 WeakPolarHBondContact OG1-CE 3.32Å; T730-K766 PolarHBondContact OG1-NZ 3.32Å
731	R	89.1	Confident	88.3	Confident	111 Å²	111	37.5 Å²	37.5	42%	0.419	20%	0.199	S	C	.	.	H	α-helix	trans	-85.9	-15.5	174	-64.5	-173.4	-65	-106.5	-2.3	113.8	S727 V728 L729 S734 Q735	S727-R731 PolarHBondContact O-N 2.82Å; S727-R731 PolarHBondContact OG-NH1 2.82Å; V728-R731 PolarHBondContact O-N 3.29Å; L729-R731 VanDerWaalsContact C-N 3.33Å; R731-S734 WeakPolarHBondContact O-CB 3.47Å; R731-S734 PolarHBondContact O-N 3.37Å; R731-S734 PolarHBondContact O-OG 3.4Å; R731-Q735 PolarHBondContact O-N 2.84Å
732	L	89.7	Confident	88.1	Confident	2 Å²	2	42 Å²	42	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-52.5	-43.5	-175.7	-173.1	69.2	0	0	0	114.7	V684 V728 L729 S734 Q735 L736 L762	V684-L732 HydrophobicContact CB-CD2 4.32Å; V684-L732 HydrophobicContact CG1-CD1 4.32Å; V684-L732 HydrophobicContact CG1-CD2 3.84Å; V728-L732 PolarHBondContact O-N 3.07Å; L729-L732 HydrophobicContact CD2-CD2 4.28Å; L729-L732 PolarHBondContact O-N 3.31Å; L732-S734 PolarHBondContact O-N 3.28Å; L732-Q735 PolarHBondContact O-N 3.27Å; L732-Q735 VanDerWaalsContact O-N 3.12Å; L732-L736 HydrophobicContact CD1-CD1 3.85Å; L732-L736 HydrophobicContact CD1-CG 4.1Å; L732-L736 HydrophobicContact CD2-CD1 4.38Å; L732-L736 HydrophobicContact CG-CD1 3.89Å; L732-L736 HydrophobicContact CG-CG 4.42Å; L732-L736 PolarHBondContact O-N 2.84Å; L732-L762 HydrophobicContact CD2-CD1 4.16Å
733	P	90.4	Very high	87.9	Confident	30 Å²	30	46.8 Å²	46.8	20%	0.195	24%	0.24	C	C	.	.	H	α-helix	trans	-58.6	-34	177.3	-27.4	37.4	0	0	0	113.9	N737 W738 L762	P733-N737 PolarHBondContact O-N 3.14Å; P733-W738 HydrophobicContact CB-CB 4.49Å; P733-W738 HydrophobicContact CB-CD2 3.74Å; P733-W738 HydrophobicContact CB-CE3 3.71Å; P733-W738 HydrophobicContact CB-CG 4.1Å; P733-W738 HydrophobicContact CB-CZ3 4.16Å; P733-W738 HydrophobicContact CG-CD2 4.3Å; P733-W738 HydrophobicContact CG-CE3 4.04Å; P733-W738 HydrophobicContact CG-CH2 4.15Å; P733-W738 HydrophobicContact CG-CZ2 4.43Å; P733-W738 HydrophobicContact CG-CZ3 3.96Å; P733-W738 PolarHBondContact O-N 2.94Å; P733-L762 HydrophobicContact CG-CD2 3.6Å
734	S	88.3	Confident	87.7	Confident	91 Å²	91	51 Å²	51	64%	0.636	26%	0.256	S	S	*	.	H	α-helix	trans	-73.8	-39.2	176.6	69.6	0	0	0	0	112	R731 L732 N737	R731-S734 WeakPolarHBondContact O-CB 3.47Å; R731-S734 PolarHBondContact O-N 3.37Å; R731-S734 PolarHBondContact O-OG 3.4Å; L732-S734 PolarHBondContact O-N 3.28Å; S734-N737 PolarHBondContact O-N 2.94Å
735	Q	86.9	Confident	87.6	Confident	61 Å²	61	49.1 Å²	49.1	29%	0.285	25%	0.247	S	C	.	.	H	α-helix	trans	-67.5	-37.7	178.3	-68.8	-177.5	-32.1	0	0	112.4	R731 L732 N737	R731-Q735 PolarHBondContact O-N 2.84Å; L732-Q735 PolarHBondContact O-N 3.27Å; L732-Q735 VanDerWaalsContact O-N 3.12Å; Q735-N737 VanDerWaalsContact C-N 3.26Å; Q735-N737 PolarHBondContact O-N 3.39Å
736	L	87.1	Confident	87.3	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	3.8	177.6	-69	176.9	0	0	0	113.4	C659 W662 M677 L732 W738	C659-L736 HydrophobicContact CB-CD2 4.16Å; W662-L736 HydrophobicContact CB-CD2 4.23Å; W662-L736 HydrophobicContact CG-CD2 4.31Å; W662-L736 PolarHBondContact NE1-O 2.89Å; W662-L736 VanDerWaalsContact NE1-O 3.13Å; M677-L736 HydrophobicContact CE-CB 3.88Å; M677-L736 WeakPolarHBondContact CE-O 3.46Å; M677-L736 HydrophobicContact SD-CB 3.85Å; M677-L736 HydrophobicContact SD-CD1 3.78Å; M677-L736 HydrophobicContact SD-CG 4.3Å; L732-L736 HydrophobicContact CD1-CD1 3.85Å; L732-L736 HydrophobicContact CD1-CG 4.1Å; L732-L736 HydrophobicContact CD2-CD1 4.38Å; L732-L736 HydrophobicContact CG-CD1 3.89Å; L732-L736 HydrophobicContact CG-CG 4.42Å; L732-L736 PolarHBondContact O-N 2.84Å; L736-W738 PolarHBondContact O-N 3.45Å
737	N	88.6	Confident	86.9	Confident	95 Å²	95	58.1 Å²	58.1	51%	0.508	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	54.3	-178.9	-169.4	11.6	0	0	0	113.1	P733 S734 Q735 E739 G740 L741	P733-N737 PolarHBondContact O-N 3.14Å; S734-N737 PolarHBondContact O-N 2.94Å; Q735-N737 VanDerWaalsContact C-N 3.26Å; Q735-N737 PolarHBondContact O-N 3.39Å; N737-E739 PolarHBondContact O-N 3.29Å; N737-G740 PolarHBondContact O-N 3.19Å; N737-G740 WeakPolarHBondContact OD1-CA 3.21Å; N737-G740 PolarHBondContact OD1-N 3.25Å; N737-L741 PolarHBondContact O-N 2.86Å; N737-L741 VanDerWaalsContact O-N 3.12Å
738	W	89.8	Confident	86.7	Confident	11 Å²	11	59 Å²	59	4%	0.042	31%	0.308	C	S	.	.	H	α-helix	trans	-58	-31.8	177.4	-75.2	13	0	0	0	112.2	M677 T681 P733 L736 L741 R742 F754 L758 H759 L762	M677-W738 PolarHBondContact SD-NE1 3.22Å; T681-W738 HydrophobicContact CG2-CH2 4.38Å; T681-W738 HydrophobicContact CG2-CZ2 3.87Å; P733-W738 HydrophobicContact CB-CB 4.49Å; P733-W738 HydrophobicContact CB-CD2 3.74Å; P733-W738 HydrophobicContact CB-CE3 3.71Å; P733-W738 HydrophobicContact CB-CG 4.1Å; P733-W738 HydrophobicContact CB-CZ3 4.16Å; P733-W738 HydrophobicContact CG-CD2 4.3Å; P733-W738 HydrophobicContact CG-CE3 4.04Å; P733-W738 HydrophobicContact CG-CH2 4.15Å; P733-W738 HydrophobicContact CG-CZ2 4.43Å; P733-W738 HydrophobicContact CG-CZ3 3.96Å; P733-W738 PolarHBondContact O-N 2.94Å; L736-W738 PolarHBondContact O-N 3.45Å; W738-L741 PolarHBondContact O-N 2.86Å; W738-R742 WeakPolarHBondContact O-CB 3.44Å; W738-R742 PolarHBondContact O-N 2.92Å; W738-F754 HydrophobicContact CB-CE1 4.35Å; W738-F754 HydrophobicContact CB-CZ 4.21Å; W738-F754 WeakPolarHBondContact O-CZ 3.48Å; W738-L758 HydrophobicContact CD2-CD1 4.26Å; W738-L758 HydrophobicContact CE3-CB 4.16Å; W738-L758 HydrophobicContact CE3-CD1 4.5Å; W738-L758 HydrophobicContact CH2-CB 3.55Å; W738-L758 WeakPolarHBondContact CH2-O 3.45Å; W738-L758 HydrophobicContact CZ2-CB 3.91Å; W738-L758 HydrophobicContact CZ2-CD2 4.28Å; W738-L758 HydrophobicContact CZ2-CG 4.49Å; W738-L758 HydrophobicContact CZ3-CB 3.67Å; W738-H759 AromaticContact CE3-CE1 3.63Å; W738-H759 AromaticContact CE3-NE2 3.89Å; W738-H759 AromaticContact CZ3-CD2 3.93Å; W738-H759 AromaticContact CZ3-CE1 3.58Å; W738-H759 AromaticContact CZ3-CG 3.86Å; W738-H759 AromaticContact CZ3-ND1 3.64Å; W738-H759 AromaticContact CZ3-NE2 3.75Å; W738-L762 HydrophobicContact CH2-CB 4.3Å; W738-L762 HydrophobicContact CH2-CD2 4.09Å
739	E	85.5	Confident	86.5	Confident	90 Å²	90	59.8 Å²	59.8	42%	0.421	31%	0.312	S	S	.	.	H	α-helix	trans	-61.4	-50.6	175.8	-175.7	55.5	-140.4	0	0	112.1	N737 L741 R742 I743	N737-E739 PolarHBondContact O-N 3.29Å; E739-L741 VanDerWaalsContact C-N 3.28Å; E739-L741 PolarHBondContact O-N 2.56Å; E739-R742 VanDerWaalsContact CD-CZ 3.47Å; E739-R742 WeakPolarHBondContact O-CB 3.38Å; E739-R742 PolarHBondContact O-N 3.24Å; E739-R742 IonicContact OE1-CZ 3.69Å; E739-R742 VanDerWaalsContact OE1-CZ 3.27Å; E739-R742 IonicContact OE1-NE 2.7Å; E739-R742 PolarHBondContact OE1-NE 3.32Å; E739-R742 IonicContact OE1-NH2 2.65Å; E739-R742 PolarHBondContact OE1-NH2 3.46Å; E739-R742 IonicContact OE2-CZ 2.94Å; E739-R742 IonicContact OE2-NE 2.71Å; E739-R742 PolarHBondContact OE2-NE 3.28Å; E739-R742 IonicContact OE2-NH1 3.8Å; E739-R742 PolarHBondContact OE2-NH1 2.65Å; E739-R742 IonicContact OE2-NH2 3.17Å; E739-R742 PolarHBondContact OE2-NH2 2.7Å; E739-I743 WeakPolarHBondContact O-CG1 3.49Å; E739-I743 PolarHBondContact O-N 3.42Å; E739-I743 VanDerWaalsContact O-N 3.11Å
740	G	84.4	Confident	86.1	Confident	19 Å²	19	61.4 Å²	61.4	20%	0.196	33%	0.328	C	S	.	.	H	α-helix	trans	-63	-35.1	176.7	0	0	0	0	0	112.6	N737 R744	N737-G740 PolarHBondContact O-N 3.19Å; N737-G740 WeakPolarHBondContact OD1-CA 3.21Å; N737-G740 PolarHBondContact OD1-N 3.25Å; G740-R744 WeakPolarHBondContact O-CG 3.39Å; G740-R744 PolarHBondContact O-N 3.16Å
741	L	87.1	Confident	85.6	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-67.4	-44.2	173.2	-176.5	63.9	0	0	0	111.8	W662 A673 M677 N737 W738 E739 I743 R744 T745 F754	W662-L741 HydrophobicContact CH2-CD1 3.97Å; W662-L741 HydrophobicContact CH2-CD2 4.2Å; W662-L741 HydrophobicContact CZ2-CD1 4.17Å; W662-L741 HydrophobicContact CZ2-CD2 4.3Å; A673-L741 HydrophobicContact CB-CD1 4.11Å; M677-L741 HydrophobicContact CB-CD2 3.5Å; M677-L741 VanDerWaalsContact CB-CD2 3.5Å; M677-L741 HydrophobicContact CE-CD2 4.05Å; M677-L741 HydrophobicContact CG-CD2 3.6Å; N737-L741 PolarHBondContact O-N 2.86Å; N737-L741 VanDerWaalsContact O-N 3.12Å; W738-L741 PolarHBondContact O-N 2.86Å; E739-L741 VanDerWaalsContact C-N 3.28Å; E739-L741 PolarHBondContact O-N 2.56Å; L741-I743 VanDerWaalsContact C-N 3.3Å; L741-I743 PolarHBondContact O-N 2.71Å; L741-R744 WeakPolarHBondContact O-CA 3.43Å; L741-R744 WeakPolarHBondContact O-CB 3.24Å; L741-R744 PolarHBondContact O-N 2.97Å; L741-T745 HydrophobicContact CD1-CG2 3.83Å; L741-T745 HydrophobicContact CG-CG2 4.18Å; L741-T745 WeakPolarHBondContact O-CG2 3.12Å; L741-T745 PolarHBondContact O-N 3.11Å; L741-T745 PolarHBondContact O-OG1 3.37Å; L741-T745 VanDerWaalsContact O-OG1 3.09Å; L741-F754 HydrophobicContact CB-CE2 4.47Å; L741-F754 HydrophobicContact CD2-CE2 4.05Å; L741-F754 HydrophobicContact CD2-CZ 4.43Å; L741-F754 HydrophobicContact CG-CE2 4.08Å
742	R	85.6	Confident	85.1	Confident	95 Å²	95	61.8 Å²	61.8	36%	0.358	34%	0.337	S	S	.	.	H	α-helix	trans	-56.2	-44	178.7	-177.5	-178.9	72.7	-177.6	8.6	112	W738 E739 R744 T745 Q746 F754	W738-R742 WeakPolarHBondContact O-CB 3.44Å; W738-R742 PolarHBondContact O-N 2.92Å; E739-R742 VanDerWaalsContact CD-CZ 3.47Å; E739-R742 WeakPolarHBondContact O-CB 3.38Å; E739-R742 PolarHBondContact O-N 3.24Å; E739-R742 IonicContact OE1-CZ 3.69Å; E739-R742 VanDerWaalsContact OE1-CZ 3.27Å; E739-R742 IonicContact OE1-NE 2.7Å; E739-R742 PolarHBondContact OE1-NE 3.32Å; E739-R742 IonicContact OE1-NH2 2.65Å; E739-R742 PolarHBondContact OE1-NH2 3.46Å; E739-R742 IonicContact OE2-CZ 2.94Å; E739-R742 IonicContact OE2-NE 2.71Å; E739-R742 PolarHBondContact OE2-NE 3.28Å; E739-R742 IonicContact OE2-NH1 3.8Å; E739-R742 PolarHBondContact OE2-NH1 2.65Å; E739-R742 IonicContact OE2-NH2 3.17Å; E739-R742 PolarHBondContact OE2-NH2 2.7Å; R742-R744 VanDerWaalsContact C-N 3.32Å; R742-R744 PolarHBondContact O-N 3.22Å; R742-T745 PolarHBondContact O-N 2.94Å; R742-Q746 PolarHBondContact O-N 2.94Å; R742-F754 HydrophobicContact CB-CE1 4.17Å; R742-F754 HydrophobicContact CB-CE2 4.27Å; R742-F754 HydrophobicContact CB-CZ 4Å
743	I	85.3	Confident	84.7	Confident	107 Å²	107	67.1 Å²	67.1	55%	0.549	36%	0.362	S	S	.	.	H	α-helix	trans	-62.5	-41.4	176.7	-64.7	168.2	0	0	0	110.6	E739 L741	E739-I743 WeakPolarHBondContact O-CG1 3.49Å; E739-I743 PolarHBondContact O-N 3.42Å; E739-I743 VanDerWaalsContact O-N 3.11Å; L741-I743 VanDerWaalsContact C-N 3.3Å; L741-I743 PolarHBondContact O-N 2.71Å
744	R	83.5	Confident	84.5	Confident	110 Å²	110	66 Å²	66	42%	0.415	36%	0.355	S	S	.	.	H	α-helix	trans	-68.8	-32.4	179.1	-71.5	-169	-64.1	159.5	0.2	113.5	W667 G740 L741 R742	W667-R744 PolarHBondContact O-NH1 2.82Å; G740-R744 WeakPolarHBondContact O-CG 3.39Å; G740-R744 PolarHBondContact O-N 3.16Å; L741-R744 WeakPolarHBondContact O-CA 3.43Å; L741-R744 WeakPolarHBondContact O-CB 3.24Å; L741-R744 PolarHBondContact O-N 2.97Å; R742-R744 VanDerWaalsContact C-N 3.32Å; R742-R744 PolarHBondContact O-N 3.22Å
745	T	86.8	Confident	84	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.012	34%	0.342	C	S	.	.	H	α-helix	trans	-98.4	-2.1	-175.1	59.9	0	0	0	0	113.8	P670 F674 L741 R742 S747 V748 I749	P670-T745 HydrophobicContact CB-CG2 4.07Å; P670-T745 VanDerWaalsContact O-CG2 3.28Å; P670-T745 WeakPolarHBondContact O-CG2 3.42Å; F674-T745 HydrophobicContact CB-CG2 4.32Å; L741-T745 HydrophobicContact CD1-CG2 3.83Å; L741-T745 HydrophobicContact CG-CG2 4.18Å; L741-T745 WeakPolarHBondContact O-CG2 3.12Å; L741-T745 PolarHBondContact O-N 3.11Å; L741-T745 PolarHBondContact O-OG1 3.37Å; L741-T745 VanDerWaalsContact O-OG1 3.09Å; R742-T745 PolarHBondContact O-N 2.94Å; T745-S747 PolarHBondContact O-N 2.84Å; T745-S747 VanDerWaalsContact O-N 3.08Å; T745-V748 PolarHBondContact O-N 2.93Å; T745-I749 PolarHBondContact O-N 2.87Å
746	Q	83.1	Confident	83.9	Confident	152 Å²	152	67.8 Å²	67.8	71%	0.71	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-31.5	-174.4	-171.4	175.8	11.5	0	0	114.3	R742 V748	R742-Q746 PolarHBondContact O-N 2.94Å; Q746-V748 VanDerWaalsContact C-N 3.32Å
747	S	80.1	Confident	83.8	Confident	112 Å²	112	70.2 Å²	70.2	78%	0.783	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-16.3	179.2	57.5	0	0	0	0	114	T745	T745-S747 PolarHBondContact O-N 2.84Å; T745-S747 VanDerWaalsContact O-N 3.08Å
748	V	84.1	Confident	83.7	Confident	64 Å²	64	65.7 Å²	65.7	39%	0.388	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-33.2	-169.3	-164.2	0	0	0	0	112.4	P670 E671 T745 Q746	P670-V748 HydrophobicContact CG-CG2 4.18Å; E671-V748 HydrophobicContact CG-CB 4.4Å; E671-V748 HydrophobicContact CG-CG1 3.42Å; E671-V748 VanDerWaalsContact CG-CG1 3.42Å; E671-V748 WeakPolarHBondContact OE1-CG1 3.33Å; T745-V748 PolarHBondContact O-N 2.93Å; Q746-V748 VanDerWaalsContact C-N 3.32Å
749	I	83.1	Confident	83.6	Confident	21 Å²	21	68.7 Å²	68.7	11%	0.108	36%	0.361	C	S	.	.	S	Bend	trans	-118.4	126.1	-177.7	-57.3	-169.4	0	0	0	109.6	F674 T745 Q753 F754	F674-I749 HydrophobicContact CB-CD1 3.37Å; F674-I749 HydrophobicContact CD1-CD1 3.2Å; F674-I749 HydrophobicContact CD2-CD1 3.82Å; F674-I749 HydrophobicContact CE1-CD1 3.83Å; F674-I749 HydrophobicContact CE2-CD1 4.38Å; F674-I749 HydrophobicContact CG-CD1 3.16Å; F674-I749 HydrophobicContact CZ-CD1 4.38Å; F674-I749 HydrophobicContact CZ-CG2 4.41Å; T745-I749 PolarHBondContact O-N 2.87Å; I749-Q753 HydrophobicContact CG2-CB 4.04Å; I749-F754 HydrophobicContact CG2-CB 4.39Å
750	G	80.9	Confident	83.6	Confident	35 Å²	35	68 Å²	68	36%	0.361	37%	0.366	S	S	.	.			trans	-65.4	143.5	177.6	0	0	0	0	0	112.1	S752 Q753 F754	G750-S752 PolarHBondContact O-N 3.27Å; G750-S752 VanDerWaalsContact O-N 3.16Å; G750-Q753 WeakPolarHBondContact O-CB 3.27Å; G750-Q753 PolarHBondContact O-N 2.99Å; G750-F754 PolarHBondContact O-N 3.42Å; G750-F754 VanDerWaalsContact O-N 3.1Å
751	Q	78.4	Confident	83.7	Confident	125 Å²	125	69.3 Å²	69.3	58%	0.584	37%	0.367	S	S	*	.	H	α-helix	trans	-53.5	-39.9	-179.4	-175.8	175.6	-4.1	0	0	112.7	Q753 F754 E755	Q751-Q753 PolarHBondContact O-N 3.23Å; Q751-F754 PolarHBondContact O-N 3.38Å; Q751-E755 PolarHBondContact NE2-OE1 3.47Å; Q751-E755 WeakPolarHBondContact O-CB 3.36Å; Q751-E755 PolarHBondContact O-N 3.33Å
752	S	77.6	Confident	83.9	Confident	73 Å²	73	69.4 Å²	69.4	51%	0.51	37%	0.368	S	S	.	.	H	α-helix	trans	-65.1	-36.2	177.4	57	0	0	0	0	113	G750 N756	G750-S752 PolarHBondContact O-N 3.27Å; G750-S752 VanDerWaalsContact O-N 3.16Å; S752-N756 WeakPolarHBondContact O-CB 3.37Å; S752-N756 PolarHBondContact O-N 3.06Å; S752-N756 PolarHBondContact O-ND2 2.87Å
753	Q	82.8	Confident	84	Confident	115 Å²	115	70.1 Å²	70.1	54%	0.537	38%	0.375	S	S	.	.	H	α-helix	trans	-70.7	-40.6	177.1	-70.7	177.8	-20.4	0	0	111.3	I749 G750 Q751 T757	I749-Q753 HydrophobicContact CG2-CB 4.04Å; G750-Q753 WeakPolarHBondContact O-CB 3.27Å; G750-Q753 PolarHBondContact O-N 2.99Å; Q751-Q753 PolarHBondContact O-N 3.23Å; Q753-T757 VanDerWaalsContact O-CB 3.29Å; Q753-T757 WeakPolarHBondContact O-CB 3.4Å; Q753-T757 PolarHBondContact O-N 3.03Å; Q753-T757 PolarHBondContact O-OG1 3.31Å
754	F	86.1	Confident	84.2	Confident	7 Å²	7	71.1 Å²	71.1	3%	0.031	38%	0.378	C	S	.	.	H	α-helix	trans	-61.9	-51.2	176.4	-170.6	-82.3	0	0	0	111.4	F674 W738 L741 R742 I749 G750 Q751 L758	F674-F754 AromaticContact CD2-CD2 3.71Å; F674-F754 HydrophobicContact CD2-CD2 3.71Å; F674-F754 AromaticContact CD2-CE2 3.89Å; F674-F754 HydrophobicContact CD2-CE2 3.89Å; F674-F754 HydrophobicContact CE2-CB 4.4Å; F674-F754 AromaticContact CE2-CD2 3.42Å; F674-F754 HydrophobicContact CE2-CD2 3.42Å; F674-F754 VanDerWaalsContact CE2-CD2 3.42Å; F674-F754 AromaticContact CE2-CE2 3.9Å; F674-F754 HydrophobicContact CE2-CE2 3.9Å; F674-F754 HydrophobicContact CE2-CG 4.11Å; W738-F754 HydrophobicContact CB-CE1 4.35Å; W738-F754 HydrophobicContact CB-CZ 4.21Å; W738-F754 WeakPolarHBondContact O-CZ 3.48Å; L741-F754 HydrophobicContact CB-CE2 4.47Å; L741-F754 HydrophobicContact CD2-CE2 4.05Å; L741-F754 HydrophobicContact CD2-CZ 4.43Å; L741-F754 HydrophobicContact CG-CE2 4.08Å; R742-F754 HydrophobicContact CB-CE1 4.17Å; R742-F754 HydrophobicContact CB-CE2 4.27Å; R742-F754 HydrophobicContact CB-CZ 4Å; I749-F754 HydrophobicContact CG2-CB 4.39Å; G750-F754 PolarHBondContact O-N 3.42Å; G750-F754 VanDerWaalsContact O-N 3.1Å; Q751-F754 PolarHBondContact O-N 3.38Å; F754-L758 HydrophobicContact CD1-CD1 4.41Å; F754-L758 HydrophobicContact CD2-CD1 4.32Å; F754-L758 HydrophobicContact CE1-CD1 3.95Å; F754-L758 HydrophobicContact CE2-CD1 3.85Å; F754-L758 HydrophobicContact CZ-CD1 3.64Å; F754-L758 PolarHBondContact O-N 3.3Å
755	E	77.9	Confident	84.5	Confident	78 Å²	78	66 Å²	66	36%	0.364	36%	0.359	S	S	.	.	I	π-helix	trans	-63.7	-50.7	179.4	-74	177.6	-166.8	0	0	110.7	Q751 T757 H759	Q751-E755 PolarHBondContact NE2-OE1 3.47Å; Q751-E755 WeakPolarHBondContact O-CB 3.36Å; Q751-E755 PolarHBondContact O-N 3.33Å; E755-T757 PolarHBondContact O-N 3.23Å; E755-H759 WeakPolarHBondContact CA-ND1 3.47Å; E755-H759 WeakPolarHBondContact O-CB 3.46Å; E755-H759 PolarHBondContact O-N 3.26Å; E755-H759 PolarHBondContact O-ND1 2.94Å; E755-H759 VanDerWaalsContact O-ND1 3.12Å
756	N	83.2	Confident	84.6	Confident	110 Å²	110	67.3 Å²	67.3	59%	0.588	36%	0.364	S	S	*	.	I	π-helix	trans	-65	-37.2	-176.7	-69.4	-24.9	0	0	0	113.1	S752 S760	S752-N756 WeakPolarHBondContact O-CB 3.37Å; S752-N756 PolarHBondContact O-N 3.06Å; S752-N756 PolarHBondContact O-ND2 2.87Å; N756-S760 WeakPolarHBondContact O-CB 3.05Å; N756-S760 PolarHBondContact O-N 2.87Å
757	T	85.3	Confident	84.9	Confident	52 Å²	52	62.7 Å²	62.7	32%	0.319	35%	0.349	S	S	.	.	I	π-helix	trans	-77.2	-56.9	-174.3	-50.4	0	0	0	0	111.5	V678 Q753 E755 Q761	V678-T757 HydrophobicContact CG1-CG2 4.18Å; V678-T757 HydrophobicContact CG2-CG2 3.97Å; Q753-T757 VanDerWaalsContact O-CB 3.29Å; Q753-T757 WeakPolarHBondContact O-CB 3.4Å; Q753-T757 PolarHBondContact O-N 3.03Å; Q753-T757 PolarHBondContact O-OG1 3.31Å; E755-T757 PolarHBondContact O-N 3.23Å; T757-Q761 WeakPolarHBondContact O-CG 3.35Å; T757-Q761 PolarHBondContact O-N 3.48Å
758	L	86.8	Confident	85.3	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.323	C	S	.	.	I	π-helix	trans	-72.1	-43.2	-175.3	-71.7	173.7	0	0	0	111.7	F674 M677 V678 W738 F754 L762	F674-L758 HydrophobicContact CD2-CD1 4.35Å; F674-L758 HydrophobicContact CE2-CD1 3.81Å; F674-L758 HydrophobicContact CE2-CG 4.12Å; M677-L758 HydrophobicContact CG-CD1 3.92Å; M677-L758 HydrophobicContact CG-CD2 3.9Å; V678-L758 HydrophobicContact CB-CD2 4.22Å; V678-L758 HydrophobicContact CG2-CD2 3.65Å; V678-L758 HydrophobicContact CG2-CG 4.17Å; W738-L758 HydrophobicContact CD2-CD1 4.26Å; W738-L758 HydrophobicContact CE3-CB 4.16Å; W738-L758 HydrophobicContact CE3-CD1 4.5Å; W738-L758 HydrophobicContact CH2-CB 3.55Å; W738-L758 WeakPolarHBondContact CH2-O 3.45Å; W738-L758 HydrophobicContact CZ2-CB 3.91Å; W738-L758 HydrophobicContact CZ2-CD2 4.28Å; W738-L758 HydrophobicContact CZ2-CG 4.49Å; W738-L758 HydrophobicContact CZ3-CB 3.67Å; F754-L758 HydrophobicContact CD1-CD1 4.41Å; F754-L758 HydrophobicContact CD2-CD1 4.32Å; F754-L758 HydrophobicContact CE1-CD1 3.95Å; F754-L758 HydrophobicContact CE2-CD1 3.85Å; F754-L758 HydrophobicContact CZ-CD1 3.64Å; F754-L758 PolarHBondContact O-N 3.3Å; L758-L762 PolarHBondContact O-N 2.9Å
759	H	87.4	Confident	85.6	Confident	75 Å²	75	56.6 Å²	56.6	35%	0.347	31%	0.305	S	S	.	.	I	π-helix	trans	-72.7	-35.6	180	-59.6	69.6	0	0	0	111.4	W738 E755 Q761 L762 Q763	W738-H759 AromaticContact CE3-CE1 3.63Å; W738-H759 AromaticContact CE3-NE2 3.89Å; W738-H759 AromaticContact CZ3-CD2 3.93Å; W738-H759 AromaticContact CZ3-CE1 3.58Å; W738-H759 AromaticContact CZ3-CG 3.86Å; W738-H759 AromaticContact CZ3-ND1 3.64Å; W738-H759 AromaticContact CZ3-NE2 3.75Å; E755-H759 WeakPolarHBondContact CA-ND1 3.47Å; E755-H759 WeakPolarHBondContact O-CB 3.46Å; E755-H759 PolarHBondContact O-N 3.26Å; E755-H759 PolarHBondContact O-ND1 2.94Å; E755-H759 VanDerWaalsContact O-ND1 3.12Å; H759-Q761 PolarHBondContact O-N 2.91Å; H759-L762 PolarHBondContact O-N 3.42Å; H759-Q763 VanDerWaalsContact O-CB 3.27Å; H759-Q763 WeakPolarHBondContact O-CB 3.37Å; H759-Q763 WeakPolarHBondContact O-CG 3.41Å; H759-Q763 PolarHBondContact O-N 3.44Å
760	S	87.3	Confident	85.8	Confident	74 Å²	74	57.3 Å²	57.3	52%	0.517	31%	0.311	S	S	.	.	H	α-helix	trans	-62.4	-43.7	176.9	-176.7	0	0	0	0	111.9	N756 L762 Q763 Q764	N756-S760 WeakPolarHBondContact O-CB 3.05Å; N756-S760 PolarHBondContact O-N 2.87Å; S760-L762 PolarHBondContact O-N 2.9Å; S760-Q763 PolarHBondContact O-N 2.85Å; S760-Q764 WeakPolarHBondContact O-CB 3.3Å; S760-Q764 PolarHBondContact O-N 2.74Å
761	Q	85.4	Confident	86.1	Confident	47 Å²	47	61.7 Å²	61.7	22%	0.22	32%	0.321	C	S	.	.	H	α-helix	trans	-59.7	-47.1	176.2	-72.8	-178.2	2.9	0	0	111.9	V678 T757 H759 Q763 Q764 A765	V678-Q761 PolarHBondContact O-OE1 3.37Å; T757-Q761 WeakPolarHBondContact O-CG 3.35Å; T757-Q761 PolarHBondContact O-N 3.48Å; H759-Q761 PolarHBondContact O-N 2.91Å; Q761-Q763 VanDerWaalsContact C-N 3.35Å; Q761-Q763 PolarHBondContact O-N 3.21Å; Q761-Q764 WeakPolarHBondContact O-CB 3.21Å; Q761-Q764 PolarHBondContact O-N 3.03Å; Q761-A765 PolarHBondContact O-N 2.8Å; Q761-A765 VanDerWaalsContact O-N 3.14Å
762	L	90.5	Very high	86.6	Confident	4 Å²	4	57 Å²	57	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-64.8	-39.6	178	-174.8	63.6	0	0	0	112	L729 L732 P733 W738 L758 H759 S760 Q764 A765 K766	L729-L762 HydrophobicContact CB-CD1 4.07Å; L729-L762 HydrophobicContact CD2-CD1 3.96Å; L729-L762 HydrophobicContact CG-CD1 4.45Å; L732-L762 HydrophobicContact CD2-CD1 4.16Å; P733-L762 HydrophobicContact CG-CD2 3.6Å; W738-L762 HydrophobicContact CH2-CB 4.3Å; W738-L762 HydrophobicContact CH2-CD2 4.09Å; L758-L762 PolarHBondContact O-N 2.9Å; H759-L762 PolarHBondContact O-N 3.42Å; S760-L762 PolarHBondContact O-N 2.9Å; L762-Q764 VanDerWaalsContact C-N 3.34Å; L762-A765 PolarHBondContact O-N 2.67Å; L762-K766 HydrophobicContact CG-CD 4.39Å; L762-K766 WeakPolarHBondContact O-CB 3.49Å; L762-K766 WeakPolarHBondContact O-CG 3.46Å; L762-K766 PolarHBondContact O-N 3.2Å
763	Q	89.4	Confident	87	Confident	109 Å²	109	53.9 Å²	53.9	51%	0.509	28%	0.276	S	S	.	.	H	α-helix	trans	-67.1	-35.1	176.7	-71.8	-62.8	-13.4	0	0	111.9	H759 S760 Q761 K766 S767	H759-Q763 VanDerWaalsContact O-CB 3.27Å; H759-Q763 WeakPolarHBondContact O-CB 3.37Å; H759-Q763 WeakPolarHBondContact O-CG 3.41Å; H759-Q763 PolarHBondContact O-N 3.44Å; S760-Q763 PolarHBondContact O-N 2.85Å; Q761-Q763 VanDerWaalsContact C-N 3.35Å; Q761-Q763 PolarHBondContact O-N 3.21Å; Q763-K766 PolarHBondContact O-N 3.41Å; Q763-S767 VanDerWaalsContact O-CB 3.23Å; Q763-S767 WeakPolarHBondContact O-CB 3.41Å; Q763-S767 PolarHBondContact O-N 2.81Å
764	Q	88.8	Confident	87.2	Confident	129 Å²	129	56.1 Å²	56.1	60%	0.603	28%	0.28	S	S	*	.	H	α-helix	trans	-61.8	-48.2	173.7	-175.4	-179.7	1.7	0	0	110.9	S760 Q761 L762 S767 I768	S760-Q764 WeakPolarHBondContact O-CB 3.3Å; S760-Q764 PolarHBondContact O-N 2.74Å; Q761-Q764 WeakPolarHBondContact O-CB 3.21Å; Q761-Q764 PolarHBondContact O-N 3.03Å; L762-Q764 VanDerWaalsContact C-N 3.34Å; Q764-S767 WeakPolarHBondContact O-CB 3.26Å; Q764-S767 PolarHBondContact O-N 2.98Å; Q764-I768 HydrophobicContact CG-CD1 4.44Å; Q764-I768 WeakPolarHBondContact O-CG1 3.12Å; Q764-I768 PolarHBondContact O-N 3.47Å
765	A	89.4	Confident	87.2	Confident	3 Å²	3	58.3 Å²	58.3	3%	0.025	30%	0.296	C	S	.	.	H	α-helix	trans	-61.3	-47.9	175.9	0	0	0	0	0	111.6	C685 L729 Q761 L762 S767 I768 L769	C685-A765 HydrophobicContact CB-CB 3.88Å; L729-A765 HydrophobicContact CD1-CB 4.1Å; Q761-A765 PolarHBondContact O-N 2.8Å; Q761-A765 VanDerWaalsContact O-N 3.14Å; L762-A765 PolarHBondContact O-N 2.67Å; A765-S767 VanDerWaalsContact C-N 3.29Å; A765-S767 PolarHBondContact O-N 2.57Å; A765-I768 WeakPolarHBondContact O-CB 3.2Å; A765-I768 PolarHBondContact O-N 3.09Å; A765-I768 VanDerWaalsContact O-N 3.12Å; A765-L769 WeakPolarHBondContact O-CD1 3.32Å; A765-L769 PolarHBondContact O-N 3.11Å
766	K	89.6	Confident	87.6	Confident	28 Å²	28	55.2 Å²	55.2	12%	0.122	28%	0.284	C	S	.	.	H	α-helix	trans	-57.9	-39.7	175.6	-72.9	177.9	-178.6	-176.6	0	112.6	L729 T730 L762 Q763 L769 C770	L729-K766 HydrophobicContact CB-CG 4.27Å; L729-K766 HydrophobicContact CD1-CG 4.21Å; T730-K766 WeakPolarHBondContact OG1-CE 3.32Å; T730-K766 PolarHBondContact OG1-NZ 3.32Å; L762-K766 HydrophobicContact CG-CD 4.39Å; L762-K766 WeakPolarHBondContact O-CB 3.49Å; L762-K766 WeakPolarHBondContact O-CG 3.46Å; L762-K766 PolarHBondContact O-N 3.2Å; Q763-K766 PolarHBondContact O-N 3.41Å; K766-L769 PolarHBondContact O-N 3.4Å; K766-C770 PolarHBondContact O-N 3.41Å; K766-C770 PolarHBondContact O-SG 2.6Å
767	S	89.8	Confident	87.7	Confident	56 Å²	56	50.5 Å²	50.5	39%	0.392	26%	0.258	S	S	.	.	H	α-helix	trans	-64.1	-40.5	176.6	-177.4	0	0	0	0	111.8	Q763 Q764 A765 C770 K771	Q763-S767 VanDerWaalsContact O-CB 3.23Å; Q763-S767 WeakPolarHBondContact O-CB 3.41Å; Q763-S767 PolarHBondContact O-N 2.81Å; Q764-S767 WeakPolarHBondContact O-CB 3.26Å; Q764-S767 PolarHBondContact O-N 2.98Å; A765-S767 VanDerWaalsContact C-N 3.29Å; A765-S767 PolarHBondContact O-N 2.57Å; S767-C770 PolarHBondContact O-N 3.02Å; S767-K771 WeakPolarHBondContact O-CG 3.33Å; S767-K771 PolarHBondContact O-N 3.16Å
768	I	88.6	Confident	87.6	Confident	48 Å²	48	52.2 Å²	52.2	25%	0.246	27%	0.266	C	S	.	.	H	α-helix	trans	-60.9	-50.2	172.7	-66	164.9	0	0	0	109.7	V689 Q764 A765 C770 K771 E772	V689-I768 HydrophobicContact CG2-CD1 3.92Å; V689-I768 HydrophobicContact CG2-CG2 4.33Å; Q764-I768 HydrophobicContact CG-CD1 4.44Å; Q764-I768 WeakPolarHBondContact O-CG1 3.12Å; Q764-I768 PolarHBondContact O-N 3.47Å; A765-I768 WeakPolarHBondContact O-CB 3.2Å; A765-I768 PolarHBondContact O-N 3.09Å; A765-I768 VanDerWaalsContact O-N 3.12Å; I768-C770 PolarHBondContact O-N 3.45Å; I768-K771 WeakPolarHBondContact O-CB 3.48Å; I768-K771 PolarHBondContact O-N 3.09Å; I768-K771 VanDerWaalsContact O-N 3.07Å; I768-E772 HydrophobicContact CG2-CG 4.36Å; I768-E772 WeakPolarHBondContact O-CG 3.48Å; I768-E772 PolarHBondContact O-N 3.38Å
769	L	88.9	Confident	87.5	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-56.9	-46.1	176.6	-85.6	91.2	0	0	0	112.9	V688 L722 L725 R726 L729 A765 K766 K771 E772 I773	V688-L769 HydrophobicContact CG1-CD1 3.56Å; V688-L769 HydrophobicContact CG1-CD2 4.47Å; L722-L769 WeakPolarHBondContact O-CD2 3.22Å; L725-L769 HydrophobicContact CB-CD2 3.79Å; L725-L769 HydrophobicContact CD2-CD2 4.04Å; L725-L769 HydrophobicContact CG-CD2 3.76Å; R726-L769 HydrophobicContact CB-CD2 4.28Å; L729-L769 HydrophobicContact CD1-CD1 3.8Å; A765-L769 WeakPolarHBondContact O-CD1 3.32Å; A765-L769 PolarHBondContact O-N 3.11Å; K766-L769 PolarHBondContact O-N 3.4Å; L769-K771 PolarHBondContact O-N 3.44Å; L769-E772 PolarHBondContact O-N 3.3Å; L769-I773 WeakPolarHBondContact O-CG1 3.22Å; L769-I773 PolarHBondContact O-N 3.08Å
770	C	87.8	Confident	87.3	Confident	36 Å²	36	51.5 Å²	51.5	24%	0.243	27%	0.266	C	S	.	.	H	α-helix	trans	-59.9	-36.8	177.9	-73	0	0	0	0	112	K766 S767 I768 R774	K766-C770 PolarHBondContact O-N 3.41Å; K766-C770 PolarHBondContact O-SG 2.6Å; S767-C770 PolarHBondContact O-N 3.02Å; I768-C770 PolarHBondContact O-N 3.45Å; C770-R774 WeakPolarHBondContact O-CB 3.19Å; C770-R774 VanDerWaalsContact O-CG 3.25Å; C770-R774 WeakPolarHBondContact O-CG 3.37Å; C770-R774 PolarHBondContact O-N 3.21Å; C770-R774 VanDerWaalsContact O-N 3.15Å
771	K	88.4	Confident	87.1	Confident	127 Å²	127	48.3 Å²	48.3	55%	0.552	25%	0.245	S	C	*	.	H	α-helix	trans	-66.6	-39.2	173.5	-71.1	172.7	-176	-179.2	0	111.2	S767 I768 L769 R774 S775	S767-K771 WeakPolarHBondContact O-CG 3.33Å; S767-K771 PolarHBondContact O-N 3.16Å; I768-K771 WeakPolarHBondContact O-CB 3.48Å; I768-K771 PolarHBondContact O-N 3.09Å; I768-K771 VanDerWaalsContact O-N 3.07Å; L769-K771 PolarHBondContact O-N 3.44Å; K771-R774 PolarHBondContact O-N 2.87Å; K771-S775 WeakPolarHBondContact O-CB 3.49Å; K771-S775 PolarHBondContact O-N 2.97Å
772	E	87.4	Confident	87.1	Confident	27 Å²	27	52.8 Å²	52.8	13%	0.126	26%	0.264	C	S	.	.	H	α-helix	trans	-72.9	-38.4	179.6	-58.3	-54.9	-168.5	0	0	114.2	K696 L722 I768 L769 R774 S775 A776	K696-E772 WeakPolarHBondContact CE-OE1 3.43Å; K696-E772 WeakPolarHBondContact CE-OE2 3.33Å; K696-E772 IonicContact NZ-OE1 3.87Å; K696-E772 PolarHBondContact NZ-OE1 3.21Å; K696-E772 IonicContact NZ-OE2 2.68Å; K696-E772 PolarHBondContact NZ-OE2 2.6Å; L722-E772 HydrophobicContact CD1-CB 4.16Å; I768-E772 HydrophobicContact CG2-CG 4.36Å; I768-E772 WeakPolarHBondContact O-CG 3.48Å; I768-E772 PolarHBondContact O-N 3.38Å; L769-E772 PolarHBondContact O-N 3.3Å; E772-R774 VanDerWaalsContact C-N 3.33Å; E772-R774 PolarHBondContact O-N 3.43Å; E772-S775 PolarHBondContact O-N 2.72Å; E772-A776 WeakPolarHBondContact O-CB 3.48Å; E772-A776 PolarHBondContact O-N 2.9Å
773	I	87.4	Confident	86.6	Confident	7 Å²	7	54.7 Å²	54.7	4%	0.036	27%	0.273	C	S	.	.	H	α-helix	trans	-58.7	-47.8	171.2	-68.2	164.9	0	0	0	109.7	V719 L722 L769 S775 A776 L777	V719-I773 HydrophobicContact CG1-CG2 4.44Å; L722-I773 HydrophobicContact CB-CD1 4.2Å; L722-I773 HydrophobicContact CB-CG1 3.59Å; L722-I773 HydrophobicContact CD1-CG1 4.26Å; L769-I773 WeakPolarHBondContact O-CG1 3.22Å; L769-I773 PolarHBondContact O-N 3.08Å; I773-S775 PolarHBondContact O-N 2.86Å; I773-A776 PolarHBondContact O-N 3.28Å; I773-L777 HydrophobicContact CG2-CD1 3.91Å; I773-L777 WeakPolarHBondContact O-CB 3.07Å; I773-L777 WeakPolarHBondContact O-CG 3.37Å; I773-L777 PolarHBondContact O-N 3.33Å
774	R	86.6	Confident	86.4	Confident	162 Å²	162	49.6 Å²	49.6	61%	0.611	25%	0.249	S	C	*	.	H	α-helix	trans	-62.1	-43	176.4	-72	174.4	-166.3	153.4	3.3	112.3	C770 K771 E772 A776 L777 D778	C770-R774 WeakPolarHBondContact O-CB 3.19Å; C770-R774 VanDerWaalsContact O-CG 3.25Å; C770-R774 WeakPolarHBondContact O-CG 3.37Å; C770-R774 PolarHBondContact O-N 3.21Å; C770-R774 VanDerWaalsContact O-N 3.15Å; K771-R774 PolarHBondContact O-N 2.87Å; E772-R774 VanDerWaalsContact C-N 3.33Å; E772-R774 PolarHBondContact O-N 3.43Å; R774-A776 PolarHBondContact O-N 2.78Å; R774-L777 PolarHBondContact O-N 2.97Å; R774-D778 WeakPolarHBondContact O-CB 3.48Å; R774-D778 VanDerWaalsContact O-CG 3.25Å; R774-D778 PolarHBondContact O-N 3.18Å
775	S	86.6	Confident	86.2	Confident	53 Å²	53	44.1 Å²	44.1	37%	0.371	22%	0.224	S	C	.	.	H	α-helix	trans	-62.1	-41.4	177.7	-174.8	0	0	0	0	112.5	K771 E772 I773 D778 T779	K771-S775 WeakPolarHBondContact O-CB 3.49Å; K771-S775 PolarHBondContact O-N 2.97Å; E772-S775 PolarHBondContact O-N 2.72Å; I773-S775 PolarHBondContact O-N 2.86Å; S775-D778 PolarHBondContact O-N 3.12Å; S775-T779 PolarHBondContact O-N 3.44Å; S775-T779 PolarHBondContact O-OG1 3.21Å
776	A	85.3	Confident	86.1	Confident	13 Å²	13	47.6 Å²	47.6	11%	0.107	25%	0.245	C	C	.	.	H	α-helix	trans	-66.3	-44.5	175	0	0	0	0	0	111.6	V719 E772 I773 R774 D778 T779 L780	V719-A776 HydrophobicContact CG2-CB 3.71Å; E772-A776 WeakPolarHBondContact O-CB 3.48Å; E772-A776 PolarHBondContact O-N 2.9Å; I773-A776 PolarHBondContact O-N 3.28Å; R774-A776 PolarHBondContact O-N 2.78Å; A776-D778 PolarHBondContact O-N 3.12Å; A776-T779 WeakPolarHBondContact O-CB 3.39Å; A776-T779 PolarHBondContact O-N 3.4Å; A776-L780 PolarHBondContact O-N 3.43Å
777	L	85.7	Confident	85.8	Confident	10 Å²	10	47.8 Å²	47.8	5%	0.052	25%	0.247	C	C	.	.	H	α-helix	trans	-62.6	-39.3	174.4	-74.5	171	0	0	0	112.7	V719 I773 R774 T779 L780 G781 N832 S835	V719-L777 HydrophobicContact CG1-CD2 4.1Å; V719-L777 HydrophobicContact CG1-CG 4.3Å; V719-L777 HydrophobicContact CG2-CD2 4.21Å; V719-L777 HydrophobicContact CG2-CG 4.24Å; I773-L777 HydrophobicContact CG2-CD1 3.91Å; I773-L777 WeakPolarHBondContact O-CB 3.07Å; I773-L777 WeakPolarHBondContact O-CG 3.37Å; I773-L777 PolarHBondContact O-N 3.33Å; R774-L777 PolarHBondContact O-N 2.97Å; L777-T779 VanDerWaalsContact C-N 3.31Å; L777-T779 PolarHBondContact O-N 2.92Å; L777-L780 PolarHBondContact O-N 3.48Å; L777-G781 PolarHBondContact O-N 3.32Å; L777-N832 HydrophobicContact CD1-CB 4.23Å; L777-N832 HydrophobicContact CD2-CB 4.36Å; L777-S835 WeakPolarHBondContact CD1-OG 3.4Å
778	D	83.8	Confident	85.6	Confident	89 Å²	89	45.2 Å²	45.2	48%	0.476	23%	0.229	S	C	.	.	H	α-helix	trans	-65.1	-36.6	175.3	-78	-20.7	0	0	0	111.3	R774 S775 A776 K782	R774-D778 WeakPolarHBondContact O-CB 3.48Å; R774-D778 VanDerWaalsContact O-CG 3.25Å; R774-D778 PolarHBondContact O-N 3.18Å; S775-D778 PolarHBondContact O-N 3.12Å; A776-D778 PolarHBondContact O-N 3.12Å; D778-K782 WeakPolarHBondContact O-CB 3.35Å; D778-K782 WeakPolarHBondContact O-CG 3.3Å; D778-K782 PolarHBondContact O-N 3.07Å
779	T	83	Confident	85.4	Confident	59 Å²	59	45 Å²	45	36%	0.362	23%	0.227	S	C	.	.	H	α-helix	trans	-66.5	-46.4	176.6	-57	0	0	0	0	110.6	L715 S775 A776 L777 K782 Q783	L715-T779 HydrophobicContact CD1-CG2 4.42Å; S775-T779 PolarHBondContact O-N 3.44Å; S775-T779 PolarHBondContact O-OG1 3.21Å; A776-T779 WeakPolarHBondContact O-CB 3.39Å; A776-T779 PolarHBondContact O-N 3.4Å; L777-T779 VanDerWaalsContact C-N 3.31Å; L777-T779 PolarHBondContact O-N 2.92Å; T779-K782 PolarHBondContact O-N 3.36Å; T779-Q783 WeakPolarHBondContact O-CG 3.46Å; T779-Q783 PolarHBondContact O-N 2.89Å; T779-Q783 VanDerWaalsContact O-N 3.09Å
780	L	83.9	Confident	85.2	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.7	-47.4	174.5	-174.6	159.6	0	0	0	110.8	L715 A776 L777 K782 Q783 L784 M824 L836	L715-L780 HydrophobicContact CB-CD1 4.41Å; A776-L780 PolarHBondContact O-N 3.43Å; L777-L780 PolarHBondContact O-N 3.48Å; L780-K782 VanDerWaalsContact C-N 3.33Å; L780-K782 PolarHBondContact O-N 3.08Å; L780-Q783 PolarHBondContact O-N 3.33Å; L780-L784 HydrophobicContact CD2-CD1 3.57Å; L780-L784 HydrophobicContact CD2-CG 4.19Å; L780-L784 WeakPolarHBondContact O-CG 3.37Å; L780-L784 PolarHBondContact O-N 2.92Å; L780-M824 HydrophobicContact CD2-SD 3.67Å; L780-L836 HydrophobicContact CD2-CD1 3.94Å; L780-L836 HydrophobicContact CD2-CD2 3.44Å; L780-L836 VanDerWaalsContact CD2-CD2 3.44Å; L780-L836 HydrophobicContact CD2-CG 4.34Å
781	G	84	Confident	85	Confident	7 Å²	7	49.4 Å²	49.4	7%	0.072	25%	0.249	C	C	.	.	H	α-helix	trans	-60.8	-38.4	176.7	0	0	0	0	0	113	L777 N785	L777-G781 PolarHBondContact O-N 3.32Å; G781-N785 WeakPolarHBondContact O-CB 3.37Å; G781-N785 VanDerWaalsContact O-CG 3.25Å; G781-N785 PolarHBondContact O-N 2.93Å; G781-N785 PolarHBondContact O-ND2 3.44Å
782	K	84.2	Confident	84.7	Confident	141 Å²	141	43.3 Å²	43.3	61%	0.613	22%	0.223	S	C	*	.	H	α-helix	trans	-64.9	-40.6	175	-78.6	169.2	-176.3	171.9	0	112.4	D778 T779 L780 N785 T786	D778-K782 WeakPolarHBondContact O-CB 3.35Å; D778-K782 WeakPolarHBondContact O-CG 3.3Å; D778-K782 PolarHBondContact O-N 3.07Å; T779-K782 PolarHBondContact O-N 3.36Å; L780-K782 VanDerWaalsContact C-N 3.33Å; L780-K782 PolarHBondContact O-N 3.08Å; K782-N785 PolarHBondContact O-N 3.35Å; K782-T786 PolarHBondContact O-N 3.06Å; K782-T786 PolarHBondContact O-OG1 3.49Å
783	Q	81	Confident	84.4	Confident	45 Å²	45	47.1 Å²	47.1	21%	0.21	24%	0.236	C	C	.	.	H	α-helix	trans	-61.5	-52.2	176.4	-73.4	179.4	-18.2	0	0	110.6	T779 L780 N785 T786 D787	T779-Q783 WeakPolarHBondContact O-CG 3.46Å; T779-Q783 PolarHBondContact O-N 2.89Å; T779-Q783 VanDerWaalsContact O-N 3.09Å; L780-Q783 PolarHBondContact O-N 3.33Å; Q783-N785 VanDerWaalsContact C-N 3.31Å; Q783-N785 PolarHBondContact O-N 3.19Å; Q783-T786 WeakPolarHBondContact O-CB 3.48Å; Q783-T786 PolarHBondContact O-N 2.98Å; Q783-D787 PolarHBondContact O-N 3.45Å; Q783-D787 VanDerWaalsContact O-N 3.08Å
784	L	84.8	Confident	83.9	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-57.5	-42.6	176.6	-64.9	174.5	0	0	0	112.6	I712 L780 T786 D787 I788 Y816 E820 M824 L836 L840	I712-L784 HydrophobicContact CD1-CD2 4.46Å; L780-L784 HydrophobicContact CD2-CD1 3.57Å; L780-L784 HydrophobicContact CD2-CG 4.19Å; L780-L784 WeakPolarHBondContact O-CG 3.37Å; L780-L784 PolarHBondContact O-N 2.92Å; L784-T786 VanDerWaalsContact C-N 3.29Å; L784-T786 PolarHBondContact O-N 3.22Å; L784-D787 PolarHBondContact O-N 3.22Å; L784-I788 WeakPolarHBondContact O-CB 3.42Å; L784-I788 WeakPolarHBondContact O-CG1 3.33Å; L784-I788 PolarHBondContact O-N 3.33Å; L784-Y816 WeakPolarHBondContact CD2-OH 3.5Å; L784-E820 HydrophobicContact CD2-CB 4.22Å; L784-E820 HydrophobicContact CD2-CG 4.38Å; L784-M824 HydrophobicContact CD1-CE 3.48Å; L784-M824 VanDerWaalsContact CD1-CE 3.48Å; L784-M824 HydrophobicContact CD1-SD 3.88Å; L784-M824 HydrophobicContact CD2-CE 4.09Å; L784-M824 HydrophobicContact CG-CE 4.42Å; L784-L836 HydrophobicContact CD1-CD2 4.23Å; L784-L840 HydrophobicContact CB-CD1 3.67Å; L784-L840 HydrophobicContact CD1-CD1 3.95Å; L784-L840 HydrophobicContact CD1-CD2 4.27Å
785	N	85.1	Confident	83.3	Confident	15 Å²	15	41 Å²	41	8%	0.08	22%	0.218	C	C	.	.	H	α-helix	trans	-64	-34.9	177.4	-78	-51.5	0	0	0	112.5	G781 K782 Q783 E789 N843 I847	G781-N785 WeakPolarHBondContact O-CB 3.37Å; G781-N785 VanDerWaalsContact O-CG 3.25Å; G781-N785 PolarHBondContact O-N 2.93Å; G781-N785 PolarHBondContact O-ND2 3.44Å; K782-N785 PolarHBondContact O-N 3.35Å; Q783-N785 VanDerWaalsContact C-N 3.31Å; Q783-N785 PolarHBondContact O-N 3.19Å; N785-E789 VanDerWaalsContact O-CB 3.3Å; N785-E789 WeakPolarHBondContact O-CB 3.33Å; N785-E789 PolarHBondContact O-N 3.12Å; N785-N843 WeakPolarHBondContact ND2-CB 3.48Å; N785-N843 PolarHBondContact ND2-ND2 2.99Å; N785-N843 VanDerWaalsContact ND2-ND2 3.1Å; N785-N843 WeakPolarHBondContact OD1-CB 3.02Å; N785-I847 HydrophobicContact CB-CD1 4.05Å; N785-I847 WeakPolarHBondContact O-CD1 3.33Å
786	T	86	Confident	82.4	Confident	75 Å²	75	38.9 Å²	38.9	46%	0.46	20%	0.203	S	C	.	.	H	α-helix	trans	-66.8	-39.7	176.3	-53.8	0	0	0	0	111	K782 Q783 L784 E789 T790	K782-T786 PolarHBondContact O-N 3.06Å; K782-T786 PolarHBondContact O-OG1 3.49Å; Q783-T786 WeakPolarHBondContact O-CB 3.48Å; Q783-T786 PolarHBondContact O-N 2.98Å; L784-T786 VanDerWaalsContact C-N 3.29Å; L784-T786 PolarHBondContact O-N 3.22Å; T786-E789 PolarHBondContact O-N 3.37Å; T786-T790 WeakPolarHBondContact O-CB 3.33Å; T786-T790 PolarHBondContact O-N 3.28Å; T786-T790 PolarHBondContact O-OG1 2.89Å
787	D	83.1	Confident	81.3	Confident	33 Å²	33	43.2 Å²	43.2	18%	0.176	23%	0.228	C	C	.	.	H	α-helix	trans	-69	-45.1	175.8	-72.1	-13.1	0	0	0	111.8	H708 Q783 L784 E789 T790 H791 Y816	H708-D787 IonicContact CD2-OD2 3.22Å; H708-D787 PolarHBondContact CD2-OD2 3.15Å; H708-D787 IonicContact NE2-OD1 3.99Å; H708-D787 IonicContact NE2-OD2 2.62Å; Q783-D787 PolarHBondContact O-N 3.45Å; Q783-D787 VanDerWaalsContact O-N 3.08Å; L784-D787 PolarHBondContact O-N 3.22Å; D787-E789 VanDerWaalsContact C-N 3.29Å; D787-E789 PolarHBondContact O-N 3.23Å; D787-T790 WeakPolarHBondContact O-CB 3.25Å; D787-T790 PolarHBondContact O-N 2.9Å; D787-T790 VanDerWaalsContact O-N 3.11Å; D787-H791 PolarHBondContact O-CD2 3.33Å; D787-H791 PolarHBondContact O-N 2.96Å; D787-Y816 HydrophobicContact CB-CE1 3.88Å; D787-Y816 HydrophobicContact CB-CE2 4.17Å; D787-Y816 VanDerWaalsContact CB-CZ 3.47Å; D787-Y816 WeakPolarHBondContact CB-OH 3.24Å; D787-Y816 VanDerWaalsContact CG-OH 3.31Å; D787-Y816 PolarHBondContact OD2-OH 2.97Å
788	I	85.4	Confident	80.2	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-55.4	-47.3	173.1	-68	165.4	0	0	0	109.8	L784 T790 H791 V792 L813 L817 L840 I847	L784-I788 WeakPolarHBondContact O-CB 3.42Å; L784-I788 WeakPolarHBondContact O-CG1 3.33Å; L784-I788 PolarHBondContact O-N 3.33Å; I788-T790 VanDerWaalsContact C-N 3.32Å; I788-T790 PolarHBondContact O-N 3.49Å; I788-H791 PolarHBondContact O-N 3.19Å; I788-V792 HydrophobicContact CG2-CG2 4.27Å; I788-V792 VanDerWaalsContact O-CG2 3.25Å; I788-V792 WeakPolarHBondContact O-CG2 3.36Å; I788-V792 PolarHBondContact O-N 3.24Å; I788-L813 HydrophobicContact CB-CD1 4.37Å; I788-L813 HydrophobicContact CG1-CD1 4.16Å; I788-L813 HydrophobicContact CG2-CD1 4.24Å; I788-L817 HydrophobicContact CD1-CD2 3.86Å; I788-L817 HydrophobicContact CG1-CD2 3.93Å; I788-L840 HydrophobicContact CD1-CD1 3.95Å; I788-L840 HydrophobicContact CD1-CG 4.39Å; I788-I847 HydrophobicContact CG2-CD1 4.5Å
789	E	85.3	Confident	78.7	Confident	44 Å²	44	50.8 Å²	50.8	21%	0.206	25%	0.25	C	C	.	.	H	α-helix	trans	-61.1	-41.5	177.9	-163.6	-175.2	-165.6	0	0	111.9	N785 T786 D787 V792 R793 I847 I851	N785-E789 VanDerWaalsContact O-CB 3.3Å; N785-E789 WeakPolarHBondContact O-CB 3.33Å; N785-E789 PolarHBondContact O-N 3.12Å; T786-E789 PolarHBondContact O-N 3.37Å; D787-E789 VanDerWaalsContact C-N 3.29Å; D787-E789 PolarHBondContact O-N 3.23Å; E789-V792 PolarHBondContact O-N 3.5Å; E789-R793 VanDerWaalsContact CG-CZ 3.45Å; E789-R793 WeakPolarHBondContact O-CB 3.32Å; E789-R793 VanDerWaalsContact O-CG 3.28Å; E789-R793 WeakPolarHBondContact O-CG 3.46Å; E789-R793 PolarHBondContact O-N 3.32Å; E789-R793 IonicContact OE1-CZ 2.65Å; E789-R793 IonicContact OE1-NE 3.62Å; E789-R793 IonicContact OE1-NH1 3.3Å; E789-R793 IonicContact OE1-NH2 3.77Å; E789-R793 PolarHBondContact OE1-NH2 2.92Å; E789-R793 IonicContact OE2-CZ 2.76Å; E789-R793 VanDerWaalsContact OE2-CZ 3.27Å; E789-R793 IonicContact OE2-NH1 3.83Å; E789-R793 PolarHBondContact OE2-NH1 3.35Å; E789-R793 IonicContact OE2-NH2 3.73Å; E789-R793 PolarHBondContact OE2-NH2 3.48Å; E789-I847 HydrophobicContact CB-CD1 4.23Å; E789-I847 HydrophobicContact CB-CG2 4.05Å; E789-I847 HydrophobicContact CG-CG2 3.91Å; E789-I851 HydrophobicContact CG-CD1 4.09Å
790	T	85.1	Confident	77.2	Confident	77 Å²	77	59.4 Å²	59.4	47%	0.472	28%	0.276	S	S	.	.	H	α-helix	trans	-62.6	-44.7	176.3	-58.6	0	0	0	0	111.5	T786 D787 I788 R793 S794	T786-T790 WeakPolarHBondContact O-CB 3.33Å; T786-T790 PolarHBondContact O-N 3.28Å; T786-T790 PolarHBondContact O-OG1 2.89Å; D787-T790 WeakPolarHBondContact O-CB 3.25Å; D787-T790 PolarHBondContact O-N 2.9Å; D787-T790 VanDerWaalsContact O-N 3.11Å; I788-T790 VanDerWaalsContact C-N 3.32Å; I788-T790 PolarHBondContact O-N 3.49Å; T790-R793 PolarHBondContact O-N 3.47Å; T790-S794 WeakPolarHBondContact O-CB 3.35Å; T790-S794 PolarHBondContact O-N 3.46Å
791	H	83.1	Confident	75.3	Confident	51 Å²	51	66 Å²	66	24%	0.236	31%	0.309	C	S	.	.	H	α-helix	trans	-63.7	-44.9	175.5	-80.9	-69	0	0	0	112.1	D787 I788 S794 M795 L813 Y816	D787-H791 PolarHBondContact O-CD2 3.33Å; D787-H791 PolarHBondContact O-N 2.96Å; I788-H791 PolarHBondContact O-N 3.19Å; H791-S794 WeakPolarHBondContact O-CB 3.42Å; H791-S794 PolarHBondContact O-N 3.12Å; H791-S794 PolarHBondContact O-OG 3.19Å; H791-M795 WeakPolarHBondContact O-CG 3.4Å; H791-M795 PolarHBondContact O-N 3.41Å; H791-L813 HydrophobicContact CB-CB 4.16Å; H791-L813 HydrophobicContact CB-CD1 3.79Å; H791-L813 HydrophobicContact CB-CG 4.49Å; H791-Y816 AromaticContact NE2-CG 3.78Å
792	V	82.3	Confident	73.6	Confident	0 Å²	0	71 Å²	71	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-65.8	-41.6	178.1	176.6	0	0	0	0	111.4	I788 E789 S794 M795 S796 L813 L848 I851 L868	I788-V792 HydrophobicContact CG2-CG2 4.27Å; I788-V792 VanDerWaalsContact O-CG2 3.25Å; I788-V792 WeakPolarHBondContact O-CG2 3.36Å; I788-V792 PolarHBondContact O-N 3.24Å; E789-V792 PolarHBondContact O-N 3.5Å; V792-S794 VanDerWaalsContact C-N 3.29Å; V792-S794 PolarHBondContact O-N 3.35Å; V792-M795 WeakPolarHBondContact O-CB 3.34Å; V792-M795 PolarHBondContact O-N 3.42Å; V792-M795 VanDerWaalsContact O-N 3.08Å; V792-S796 PolarHBondContact O-N 3.24Å; V792-L813 HydrophobicContact CG2-CD2 4Å; V792-L848 HydrophobicContact CG1-CD2 3.91Å; V792-L848 HydrophobicContact CG2-CD2 3.92Å; V792-I851 HydrophobicContact CB-CD1 3.87Å; V792-I851 HydrophobicContact CG1-CB 4.34Å; V792-I851 HydrophobicContact CG1-CD1 3.46Å; V792-I851 VanDerWaalsContact CG1-CD1 3.46Å; V792-I851 HydrophobicContact CG1-CG1 4.49Å; V792-I851 HydrophobicContact CG1-CG2 4.2Å; V792-L868 HydrophobicContact CG1-CD2 3.99Å
793	R	80.8	Confident	72	Confident	107 Å²	107	69.7 Å²	69.7	40%	0.404	35%	0.349	S	S	.	.	H	α-helix	trans	-61.7	-37	172.7	-73.1	-173.6	-162.5	118.6	-14.3	111.9	E789 T790 M795 S796 T797 I851	E789-R793 VanDerWaalsContact CG-CZ 3.45Å; E789-R793 WeakPolarHBondContact O-CB 3.32Å; E789-R793 VanDerWaalsContact O-CG 3.28Å; E789-R793 WeakPolarHBondContact O-CG 3.46Å; E789-R793 PolarHBondContact O-N 3.32Å; E789-R793 IonicContact OE1-CZ 2.65Å; E789-R793 IonicContact OE1-NE 3.62Å; E789-R793 IonicContact OE1-NH1 3.3Å; E789-R793 IonicContact OE1-NH2 3.77Å; E789-R793 PolarHBondContact OE1-NH2 2.92Å; E789-R793 IonicContact OE2-CZ 2.76Å; E789-R793 VanDerWaalsContact OE2-CZ 3.27Å; E789-R793 IonicContact OE2-NH1 3.83Å; E789-R793 PolarHBondContact OE2-NH1 3.35Å; E789-R793 IonicContact OE2-NH2 3.73Å; E789-R793 PolarHBondContact OE2-NH2 3.48Å; T790-R793 PolarHBondContact O-N 3.47Å; R793-M795 PolarHBondContact O-N 2.85Å; R793-S796 PolarHBondContact O-N 3.49Å; R793-S796 PolarHBondContact O-OG 2.87Å; R793-T797 PolarHBondContact O-N 3.14Å; R793-I851 HydrophobicContact CG-CD1 3.92Å
794	S	77.2	Confident	70.7	Confident	33 Å²	33	74.8 Å²	74.8	23%	0.231	37%	0.371	C	S	.	.	H	α-helix	trans	-63.3	-26.9	175.3	87	0	0	0	0	112.9	T790 H791 V792 S796 T797 R798	T790-S794 WeakPolarHBondContact O-CB 3.35Å; T790-S794 PolarHBondContact O-N 3.46Å; H791-S794 WeakPolarHBondContact O-CB 3.42Å; H791-S794 PolarHBondContact O-N 3.12Å; H791-S794 PolarHBondContact O-OG 3.19Å; V792-S794 VanDerWaalsContact C-N 3.29Å; V792-S794 PolarHBondContact O-N 3.35Å; S794-S796 VanDerWaalsContact C-N 3.31Å; S794-T797 PolarHBondContact O-OG1 3.39Å; S794-R798 WeakPolarHBondContact O-CG 3.45Å
795	M	74.4	Confident	69.9	Low	7 Å²	7	77.3 Å²	77.3	3%	0.034	39%	0.388	C	S	.	.	H	α-helix	trans	-70.8	-28.7	174.2	-59	178.2	-167.2	0	0	112	H791 V792 R793 A809 L813 T871	H791-M795 WeakPolarHBondContact O-CG 3.4Å; H791-M795 PolarHBondContact O-N 3.41Å; V792-M795 WeakPolarHBondContact O-CB 3.34Å; V792-M795 PolarHBondContact O-N 3.42Å; V792-M795 VanDerWaalsContact O-N 3.08Å; R793-M795 PolarHBondContact O-N 2.85Å; M795-A809 WeakPolarHBondContact CE-O 3.4Å; M795-L813 HydrophobicContact CE-CB 3.49Å; M795-L813 VanDerWaalsContact CE-CB 3.49Å; M795-L813 HydrophobicContact CE-CD2 3.8Å; M795-L813 HydrophobicContact CE-CG 4.3Å; M795-T871 HydrophobicContact CE-CG2 4.4Å
796	S	66.8	Low	69.2	Low	9 Å²	9	79 Å²	79	6%	0.063	40%	0.399	C	S	.	.	H	α-helix	trans	-79.4	-24.6	179.6	85	0	0	0	0	113.3	V792 R793 S794 R799 F864	V792-S796 PolarHBondContact O-N 3.24Å; R793-S796 PolarHBondContact O-N 3.49Å; R793-S796 PolarHBondContact O-OG 2.87Å; S794-S796 VanDerWaalsContact C-N 3.31Å; S796-R799 VanDerWaalsContact O-CG 3.27Å; S796-R799 WeakPolarHBondContact O-CG 3.4Å; S796-R799 PolarHBondContact O-NE 3.16Å; S796-F864 VanDerWaalsContact CA-CE2 3.45Å
797	T	63.2	Low	68.6	Low	104 Å²	104	80.7 Å²	80.7	64%	0.638	40%	0.402	S	S	*	.	H	α-helix	trans	-89.9	-17.7	-178.3	57	0	0	0	0	114	R793 S794 R799	R793-T797 PolarHBondContact O-N 3.14Å; S794-T797 PolarHBondContact O-OG1 3.39Å; T797-R799 PolarHBondContact O-N 2.88Å
798	R	61.3	Low	68.2	Low	140 Å²	140	83 Å²	83	53%	0.528	41%	0.414	S	S	.	.			trans	-74.9	68.1	173.1	-68.1	178.5	-163.1	-154.5	3.5	111.5	S794 R867	S794-R798 WeakPolarHBondContact O-CG 3.45Å; R798-R867 PolarHBondContact O-NH1 3Å
799	R	53.5	Low	67.5	Low	118 Å²	118	83.5 Å²	83.5	45%	0.445	42%	0.419	S	S	.	.			trans	-98.6	-0.4	-172	-72.7	-170.7	-172.9	-151.1	5.3	116.5	S796 T797 Q858	S796-R799 VanDerWaalsContact O-CG 3.27Å; S796-R799 WeakPolarHBondContact O-CG 3.4Å; S796-R799 PolarHBondContact O-NE 3.16Å; T797-R799 PolarHBondContact O-N 2.88Å; R799-Q858 VanDerWaalsContact CZ-OE1 3.23Å
800	R	49.9	Very low	67.2	Low	240 Å²	240	81.5 Å²	81.5	91%	0.906	41%	0.409	S	S	*	.	S	Bend	trans	-135.3	26.6	-165.3	-74.6	-168.4	179.2	-178.3	0.7	117
801	I	45.7	Very low	67	Low	139 Å²	139	79 Å²	79	71%	0.713	40%	0.397	S	S	*	.			trans	-126.4	120.4	171.3	-52.4	176.4	0	0	0	108.5
802	P	48.2	Very low	67	Low	112 Å²	112	78.5 Å²	78.5	73%	0.727	40%	0.398	S	S	*	.	S	Bend	trans	-65.3	136.8	168.7	-1.9	16.7	0	0	0	108.4
803	S	49.9	Very low	67.2	Low	113 Å²	113	78.5 Å²	78.5	79%	0.79	40%	0.398	S	S	*	.			trans	63.5	87.9	174.9	66.5	0	0	0	0	117.4
804	K	53.8	Low	67.4	Low	152 Å²	152	75.1 Å²	75.1	66%	0.661	39%	0.387	S	S	*	.			trans	-135.2	136.8	131.2	-73	-161.8	178.9	-170.2	0	106.2	D808	K804-D808 HydrophobicContact CB-CB 3.75Å; K804-D808 WeakPolarHBondContact CB-OD2 3.41Å; K804-D808 HydrophobicContact CD-CB 4.33Å
805	S	67.7	Low	67.8	Low	53 Å²	53	81.3 Å²	81.3	37%	0.371	41%	0.405	S	S	.	.			trans	-55.5	162.8	-172.8	58.9	0	0	0	0	111.7	E807 D808	S805-E807 PolarHBondContact O-N 3.16Å; S805-E807 VanDerWaalsContact O-N 3.09Å; S805-D808 PolarHBondContact O-N 2.85Å; S805-D808 PolarHBondContact OG-N 3.01Å
806	T	70.4	Confident	68.3	Low	50 Å²	50	82.4 Å²	82.4	31%	0.307	41%	0.409	S	S	.	.	H	α-helix	trans	-52.1	-28.6	170.3	41.4	0	0	0	0	112	A810 Q866 R867	T806-A810 PolarHBondContact O-N 2.68Å; T806-Q866 HydrophobicContact CG2-CB 4.31Å; T806-R867 HydrophobicContact CG2-CG 4.23Å
807	E	73.5	Confident	69.2	Low	111 Å²	111	82 Å²	82	52%	0.519	41%	0.407	S	S	.	.	H	α-helix	trans	-69.1	-46.8	179	-45.2	-179.9	158.2	0	0	112.9	S805 A809 A810 A811 Y870	S805-E807 PolarHBondContact O-N 3.16Å; S805-E807 VanDerWaalsContact O-N 3.09Å; E807-A809 PolarHBondContact O-N 3.41Å; E807-A810 PolarHBondContact O-N 3.37Å; E807-A810 VanDerWaalsContact O-N 3.09Å; E807-A811 PolarHBondContact O-N 3.34Å; E807-Y870 HydrophobicContact CB-CE1 4.04Å; E807-Y870 HydrophobicContact CG-CE1 3.99Å; E807-Y870 HydrophobicContact CG-CE2 4.22Å
808	D	74.1	Confident	70.1	Confident	81 Å²	81	83 Å²	83	43%	0.433	40%	0.404	S	S	.	.	H	α-helix	trans	-61.9	-27.2	178.3	-83.7	-20.4	0	0	0	113	K804 S805 P812	K804-D808 HydrophobicContact CB-CB 3.75Å; K804-D808 WeakPolarHBondContact CB-OD2 3.41Å; K804-D808 HydrophobicContact CD-CB 4.33Å; S805-D808 PolarHBondContact O-N 2.85Å; S805-D808 PolarHBondContact OG-N 3.01Å; D808-P812 WeakPolarHBondContact O-CD 3.32Å
809	A	72.2	Confident	71.2	Confident	13 Å²	13	82.5 Å²	82.5	11%	0.107	41%	0.408	C	S	.	.	H	α-helix	trans	-75.5	-34.2	177	0	0	0	0	0	112.3	M795 E807 R867	M795-A809 WeakPolarHBondContact CE-O 3.4Å; E807-A809 PolarHBondContact O-N 3.41Å; A809-R867 HydrophobicContact CB-CB 4.48Å; A809-R867 HydrophobicContact CB-CG 3.99Å
810	A	79	Confident	72.7	Confident	1 Å²	1	78 Å²	78	1%	0.008	39%	0.391	C	S	.	.	H	α-helix	trans	-81.6	-29.8	178.6	0	0	0	0	0	112.7	T806 E807 P812 L813 M814 Y870 T871	T806-A810 PolarHBondContact O-N 2.68Å; E807-A810 PolarHBondContact O-N 3.37Å; E807-A810 VanDerWaalsContact O-N 3.09Å; A810-P812 VanDerWaalsContact C-CD 3.47Å; A810-L813 PolarHBondContact O-N 2.98Å; A810-L813 VanDerWaalsContact O-N 3.12Å; A810-M814 WeakPolarHBondContact O-CG 3.44Å; A810-M814 PolarHBondContact O-N 3.32Å; A810-M814 VanDerWaalsContact O-N 3.09Å; A810-Y870 HydrophobicContact CB-CD1 3.89Å; A810-Y870 HydrophobicContact CB-CE1 4.07Å; A810-T871 WeakPolarHBondContact CB-OG1 3.33Å
811	A	80.3	Confident	74.3	Confident	25 Å²	25	67.3 Å²	67.3	21%	0.207	35%	0.353	C	S	.	.	H	α-helix	trans	-51.5	-41.3	-173.2	0	0	0	0	0	115.8	E807 L813 M814 R815	E807-A811 PolarHBondContact O-N 3.34Å; A811-L813 PolarHBondContact O-N 3.14Å; A811-M814 PolarHBondContact O-N 3.18Å; A811-R815 WeakPolarHBondContact O-CB 3.39Å; A811-R815 WeakPolarHBondContact O-CG 3.47Å; A811-R815 PolarHBondContact O-N 3.38Å
812	P	82.9	Confident	76.1	Confident	40 Å²	40	65.7 Å²	65.7	26%	0.26	34%	0.342	S	S	.	.	H	α-helix	trans	-63.4	-40	178.7	-23.7	35.2	0	0	0	113.7	D808 A810 Y816	D808-P812 WeakPolarHBondContact O-CD 3.32Å; A810-P812 VanDerWaalsContact C-CD 3.47Å; P812-Y816 WeakPolarHBondContact O-CB 3.42Å; P812-Y816 PolarHBondContact O-N 3.22Å
813	L	85.6	Confident	77.8	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-69.7	-42.9	176.8	174.5	63.4	0	0	0	110.7	I788 H791 V792 M795 A810 A811 Y816 L817 T871	I788-L813 HydrophobicContact CB-CD1 4.37Å; I788-L813 HydrophobicContact CG1-CD1 4.16Å; I788-L813 HydrophobicContact CG2-CD1 4.24Å; H791-L813 HydrophobicContact CB-CB 4.16Å; H791-L813 HydrophobicContact CB-CD1 3.79Å; H791-L813 HydrophobicContact CB-CG 4.49Å; V792-L813 HydrophobicContact CG2-CD2 4Å; M795-L813 HydrophobicContact CE-CB 3.49Å; M795-L813 VanDerWaalsContact CE-CB 3.49Å; M795-L813 HydrophobicContact CE-CD2 3.8Å; M795-L813 HydrophobicContact CE-CG 4.3Å; A810-L813 PolarHBondContact O-N 2.98Å; A810-L813 VanDerWaalsContact O-N 3.12Å; A811-L813 PolarHBondContact O-N 3.14Å; L813-Y816 PolarHBondContact O-N 3.4Å; L813-L817 HydrophobicContact CD1-CD1 3.99Å; L813-L817 HydrophobicContact CD1-CG 4.12Å; L813-L817 HydrophobicContact CG-CD1 4.02Å; L813-L817 WeakPolarHBondContact O-CB 3.34Å; L813-L817 WeakPolarHBondContact O-CG 3.25Å; L813-L817 PolarHBondContact O-N 3.5Å; L813-T871 HydrophobicContact CD2-CG2 3.74Å
814	M	85.9	Confident	79.3	Confident	37 Å²	37	57.9 Å²	57.9	18%	0.182	28%	0.281	C	S	.	.	H	α-helix	trans	-64.4	-41.9	-180	-63.6	-49.4	-58.3	0	0	112.1	A810 A811 L817 E818 C874 L875 C878	A810-M814 WeakPolarHBondContact O-CG 3.44Å; A810-M814 PolarHBondContact O-N 3.32Å; A810-M814 VanDerWaalsContact O-N 3.09Å; A811-M814 PolarHBondContact O-N 3.18Å; M814-L817 PolarHBondContact O-N 2.9Å; M814-E818 VanDerWaalsContact O-CB 3.24Å; M814-E818 WeakPolarHBondContact O-CB 3.43Å; M814-E818 PolarHBondContact O-N 3.44Å; M814-C874 HydrophobicContact CE-CB 3.89Å; M814-C874 WeakPolarHBondContact CE-O 3.33Å; M814-C874 HydrophobicContact CG-CB 4.1Å; M814-C874 HydrophobicContact SD-CB 3.63Å; M814-L875 HydrophobicContact SD-CD2 4.05Å; M814-L875 HydrophobicContact SD-CG 4.35Å; M814-C878 HydrophobicContact CE-CB 3.66Å
815	R	84.6	Confident	80.8	Confident	163 Å²	163	54 Å²	54	62%	0.615	27%	0.267	S	S	*	.	H	α-helix	trans	-64	-40.9	175.6	-74.2	-178.7	-172.5	142.8	4.7	112.7	A811 Q819	A811-R815 WeakPolarHBondContact O-CB 3.39Å; A811-R815 WeakPolarHBondContact O-CG 3.47Å; A811-R815 PolarHBondContact O-N 3.38Å; R815-Q819 WeakPolarHBondContact O-CB 3.38Å; R815-Q819 VanDerWaalsContact O-CG 3.25Å; R815-Q819 WeakPolarHBondContact O-CG 3.5Å; R815-Q819 PolarHBondContact O-N 3.39Å
816	Y	85.8	Confident	81.4	Confident	29 Å²	29	56.5 Å²	56.5	11%	0.114	27%	0.273	C	S	.	.	H	α-helix	trans	-61.5	-50.6	174.8	166.1	-96.1	0	0	0	110.8	L784 D787 H791 P812 L813 E818 Q819 E820	L784-Y816 WeakPolarHBondContact CD2-OH 3.5Å; D787-Y816 HydrophobicContact CB-CE1 3.88Å; D787-Y816 HydrophobicContact CB-CE2 4.17Å; D787-Y816 VanDerWaalsContact CB-CZ 3.47Å; D787-Y816 WeakPolarHBondContact CB-OH 3.24Å; D787-Y816 VanDerWaalsContact CG-OH 3.31Å; D787-Y816 PolarHBondContact OD2-OH 2.97Å; H791-Y816 AromaticContact NE2-CG 3.78Å; P812-Y816 WeakPolarHBondContact O-CB 3.42Å; P812-Y816 PolarHBondContact O-N 3.22Å; L813-Y816 PolarHBondContact O-N 3.4Å; Y816-E818 VanDerWaalsContact C-N 3.35Å; Y816-E818 PolarHBondContact O-N 3.2Å; Y816-Q819 PolarHBondContact O-N 3.38Å; Y816-E820 HydrophobicContact CD2-CG 3.95Å; Y816-E820 HydrophobicContact CE1-CG 4.26Å; Y816-E820 HydrophobicContact CE2-CG 3.56Å; Y816-E820 HydrophobicContact CG-CG 4.48Å; Y816-E820 WeakPolarHBondContact O-CB 3.38Å; Y816-E820 WeakPolarHBondContact O-CG 3.49Å; Y816-E820 PolarHBondContact O-N 2.85Å
817	L	85.4	Confident	82	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-63.1	-39.9	179.2	-74.3	174.9	0	0	0	112.6	I788 L813 M814 L821 L875	I788-L817 HydrophobicContact CD1-CD2 3.86Å; I788-L817 HydrophobicContact CG1-CD2 3.93Å; L813-L817 HydrophobicContact CD1-CD1 3.99Å; L813-L817 HydrophobicContact CD1-CG 4.12Å; L813-L817 HydrophobicContact CG-CD1 4.02Å; L813-L817 WeakPolarHBondContact O-CB 3.34Å; L813-L817 WeakPolarHBondContact O-CG 3.25Å; L813-L817 PolarHBondContact O-N 3.5Å; M814-L817 PolarHBondContact O-N 2.9Å; L817-L821 HydrophobicContact CB-CD1 4.44Å; L817-L821 WeakPolarHBondContact O-CB 3.33Å; L817-L821 WeakPolarHBondContact O-CG 3.29Å; L817-L821 PolarHBondContact O-N 3.42Å; L817-L875 HydrophobicContact CD1-CD2 3.19Å
818	E	83.3	Confident	82.5	Confident	125 Å²	125	50.5 Å²	50.5	58%	0.584	24%	0.243	S	C	*	.	H	α-helix	trans	-60.5	-47.9	175.6	-175.4	175.8	-162.3	0	0	111.1	M814 Y816 Q822	M814-E818 VanDerWaalsContact O-CB 3.24Å; M814-E818 WeakPolarHBondContact O-CB 3.43Å; M814-E818 PolarHBondContact O-N 3.44Å; Y816-E818 VanDerWaalsContact C-N 3.35Å; Y816-E818 PolarHBondContact O-N 3.2Å; E818-Q822 WeakPolarHBondContact O-CB 3.5Å; E818-Q822 PolarHBondContact O-N 2.94Å
819	Q	84.4	Confident	82.9	Confident	129 Å²	129	48.9 Å²	48.9	60%	0.603	24%	0.236	S	C	*	.	H	α-helix	trans	-61.8	-49.5	177.7	-74.1	174.9	-12.2	0	0	112.3	R815 Y816 Y823	R815-Q819 WeakPolarHBondContact O-CB 3.38Å; R815-Q819 VanDerWaalsContact O-CG 3.25Å; R815-Q819 WeakPolarHBondContact O-CG 3.5Å; R815-Q819 PolarHBondContact O-N 3.39Å; Y816-Q819 PolarHBondContact O-N 3.38Å; Q819-Y823 WeakPolarHBondContact O-CB 3.41Å; Q819-Y823 PolarHBondContact O-N 3.25Å
820	E	83.6	Confident	83.5	Confident	22 Å²	22	52.6 Å²	52.6	10%	0.103	25%	0.251	C	S	.	.	H	α-helix	trans	-70.9	-43.7	-176.5	-66.3	-58.9	140.1	0	0	112.1	L784 Y816 Y823 M824	L784-E820 HydrophobicContact CD2-CB 4.22Å; L784-E820 HydrophobicContact CD2-CG 4.38Å; Y816-E820 HydrophobicContact CD2-CG 3.95Å; Y816-E820 HydrophobicContact CE1-CG 4.26Å; Y816-E820 HydrophobicContact CE2-CG 3.56Å; Y816-E820 HydrophobicContact CG-CG 4.48Å; Y816-E820 WeakPolarHBondContact O-CB 3.38Å; Y816-E820 WeakPolarHBondContact O-CG 3.49Å; Y816-E820 PolarHBondContact O-N 2.85Å; E820-Y823 PolarHBondContact O-N 3.44Å; E820-M824 VanDerWaalsContact C-CE 3.48Å; E820-M824 HydrophobicContact CB-CE 4.02Å; E820-M824 WeakPolarHBondContact O-CB 3.33Å; E820-M824 WeakPolarHBondContact O-CE 3.25Å; E820-M824 WeakPolarHBondContact O-CG 3.44Å; E820-M824 PolarHBondContact O-N 3.3Å
821	L	84.4	Confident	83.6	Confident	17 Å²	17	58.3 Å²	58.3	9%	0.089	28%	0.277	C	S	.	.	H	α-helix	trans	-68	-37.7	177.3	-68.1	172.7	0	0	0	112.1	L817 M824 N825 F833 L837 L840	L817-L821 HydrophobicContact CB-CD1 4.44Å; L817-L821 WeakPolarHBondContact O-CB 3.33Å; L817-L821 WeakPolarHBondContact O-CG 3.29Å; L817-L821 PolarHBondContact O-N 3.42Å; L821-M824 HydrophobicContact CD2-CE 3.87Å; L821-M824 HydrophobicContact CG-CE 4.45Å; L821-M824 PolarHBondContact O-N 3.39Å; L821-N825 VanDerWaalsContact O-CB 3.25Å; L821-N825 WeakPolarHBondContact O-CB 3.47Å; L821-N825 PolarHBondContact O-N 2.93Å; L821-F833 HydrophobicContact CD2-CE2 4.13Å; L821-F833 HydrophobicContact CD2-CZ 4.39Å; L821-L837 HydrophobicContact CD2-CD2 4.03Å; L821-L840 HydrophobicContact CD2-CD2 3.97Å
822	Q	83.1	Confident	83.8	Confident	104 Å²	104	57.7 Å²	57.7	49%	0.486	27%	0.271	S	S	.	.	H	α-helix	trans	-62.4	-50	173.5	-179.7	178.1	-5.1	0	0	110.4	E818 M824 N825 E826	E818-Q822 WeakPolarHBondContact O-CB 3.5Å; E818-Q822 PolarHBondContact O-N 2.94Å; Q822-M824 VanDerWaalsContact C-N 3.32Å; Q822-M824 PolarHBondContact O-N 3.28Å; Q822-N825 PolarHBondContact O-N 3.03Å; Q822-E826 WeakPolarHBondContact CG-OE1 3.48Å; Q822-E826 PolarHBondContact NE2-OE1 3.44Å; Q822-E826 WeakPolarHBondContact O-CG 2.89Å; Q822-E826 PolarHBondContact O-N 3.11Å
823	Y	82.8	Confident	83.9	Confident	61 Å²	61	56.8 Å²	56.8	24%	0.239	26%	0.263	C	S	.	.	H	α-helix	trans	-57.7	-46	178	179.9	-88.7	0	0	0	111.5	N713 Q819 E820 E826 N827	N713-Y823 HydrophobicContact CB-CE1 4.2Å; N713-Y823 VanDerWaalsContact CB-OH 3.29Å; N713-Y823 WeakPolarHBondContact CB-OH 3.38Å; N713-Y823 WeakPolarHBondContact OD1-CE1 3.18Å; N713-Y823 PolarHBondContact OD1-OH 3.43Å; Q819-Y823 WeakPolarHBondContact O-CB 3.41Å; Q819-Y823 PolarHBondContact O-N 3.25Å; E820-Y823 PolarHBondContact O-N 3.44Å; Y823-E826 PolarHBondContact O-N 3.36Å; Y823-N827 HydrophobicContact CD1-CB 4.46Å; Y823-N827 VanDerWaalsContact CD2-ND2 3.35Å; Y823-N827 WeakPolarHBondContact CD2-ND2 3.39Å; Y823-N827 HydrophobicContact CE1-CB 3.98Å; Y823-N827 WeakPolarHBondContact CE2-ND2 3.45Å; Y823-N827 VanDerWaalsContact O-CB 3.3Å; Y823-N827 WeakPolarHBondContact O-CB 3.43Å; Y823-N827 PolarHBondContact O-N 2.75Å; Y823-N827 PolarHBondContact O-ND2 2.83Å
824	M	83.3	Confident	83.9	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-65.6	-38.9	177.9	-77.6	-175.3	-83.5	0	0	113.1	L780 L784 E820 L821 Q822 E826 N827 L828 F833 L836	L780-M824 HydrophobicContact CD2-SD 3.67Å; L784-M824 HydrophobicContact CD1-CE 3.48Å; L784-M824 VanDerWaalsContact CD1-CE 3.48Å; L784-M824 HydrophobicContact CD1-SD 3.88Å; L784-M824 HydrophobicContact CD2-CE 4.09Å; L784-M824 HydrophobicContact CG-CE 4.42Å; E820-M824 VanDerWaalsContact C-CE 3.48Å; E820-M824 HydrophobicContact CB-CE 4.02Å; E820-M824 WeakPolarHBondContact O-CB 3.33Å; E820-M824 WeakPolarHBondContact O-CE 3.25Å; E820-M824 WeakPolarHBondContact O-CG 3.44Å; E820-M824 PolarHBondContact O-N 3.3Å; L821-M824 HydrophobicContact CD2-CE 3.87Å; L821-M824 HydrophobicContact CG-CE 4.45Å; L821-M824 PolarHBondContact O-N 3.39Å; Q822-M824 VanDerWaalsContact C-N 3.32Å; Q822-M824 PolarHBondContact O-N 3.28Å; M824-E826 VanDerWaalsContact C-N 3.32Å; M824-E826 PolarHBondContact O-N 3.3Å; M824-N827 PolarHBondContact O-N 2.96Å; M824-L828 HydrophobicContact CB-CD1 4.02Å; M824-L828 HydrophobicContact CG-CD1 4.13Å; M824-L828 WeakPolarHBondContact O-CA 3.28Å; M824-L828 WeakPolarHBondContact O-CB 3.4Å; M824-L828 PolarHBondContact O-N 3.49Å; M824-L828 HydrophobicContact SD-CD1 4.4Å; M824-F833 HydrophobicContact CB-CD2 3.9Å; M824-F833 HydrophobicContact CB-CE2 3.91Å; M824-L836 HydrophobicContact CE-CD2 4.47Å; M824-L836 HydrophobicContact SD-CD2 3.51Å; M824-L836 VanDerWaalsContact SD-CD2 3.51Å
825	N	83.4	Confident	83.8	Confident	70 Å²	70	61 Å²	61	37%	0.374	29%	0.291	S	S	.	.	H	α-helix	trans	-63.5	-41	175.8	-174.8	40.2	0	0	0	111.2	K643 L821 Q822 F833	K643-N825 PolarHBondContact NZ-O 3.14Å; L821-N825 VanDerWaalsContact O-CB 3.25Å; L821-N825 WeakPolarHBondContact O-CB 3.47Å; L821-N825 PolarHBondContact O-N 2.93Å; Q822-N825 PolarHBondContact O-N 3.03Å; N825-F833 HydrophobicContact CB-CD2 4.45Å; N825-F833 HydrophobicContact CB-CE1 4.1Å; N825-F833 HydrophobicContact CB-CE2 4.05Å; N825-F833 HydrophobicContact CB-CZ 3.85Å
826	E	81.9	Confident	83.9	Confident	106 Å²	106	53.6 Å²	53.6	50%	0.495	26%	0.263	S	S	.	.	H	α-helix	trans	-68.6	-39.1	176.5	-70.8	174.9	-168.7	0	0	111.8	K643 Q822 Y823 M824	K643-E826 WeakPolarHBondContact CE-O 3.19Å; K643-E826 PolarHBondContact NZ-O 2.98Å; Q822-E826 WeakPolarHBondContact CG-OE1 3.48Å; Q822-E826 PolarHBondContact NE2-OE1 3.44Å; Q822-E826 WeakPolarHBondContact O-CG 2.89Å; Q822-E826 PolarHBondContact O-N 3.11Å; Y823-E826 PolarHBondContact O-N 3.36Å; M824-E826 VanDerWaalsContact C-N 3.32Å; M824-E826 PolarHBondContact O-N 3.3Å
827	N	81.5	Confident	83.9	Confident	35 Å²	35	52.6 Å²	52.6	19%	0.187	26%	0.26	C	S	.	.	H	α-helix	trans	-104.4	-16.7	-169.1	-67.4	-79.8	0	0	0	115.8	N720 Y823 M824	N720-N827 PolarHBondContact ND2-O 3.11Å; Y823-N827 HydrophobicContact CD1-CB 4.46Å; Y823-N827 VanDerWaalsContact CD2-ND2 3.35Å; Y823-N827 WeakPolarHBondContact CD2-ND2 3.39Å; Y823-N827 HydrophobicContact CE1-CB 3.98Å; Y823-N827 WeakPolarHBondContact CE2-ND2 3.45Å; Y823-N827 VanDerWaalsContact O-CB 3.3Å; Y823-N827 WeakPolarHBondContact O-CB 3.43Å; Y823-N827 PolarHBondContact O-N 2.75Å; Y823-N827 PolarHBondContact O-ND2 2.83Å; M824-N827 PolarHBondContact O-N 2.96Å
828	L	84.4	Confident	83.9	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.275	C	S	.	.	S	Bend	trans	-93.8	159.8	173.5	-70.7	172.2	0	0	0	112.1	K643 C716 V719 M824 F833	K643-L828 PolarHBondContact NZ-O 3.33Å; C716-L828 HydrophobicContact CB-CD2 3.76Å; C716-L828 HydrophobicContact CB-CG 4.17Å; V719-L828 HydrophobicContact CB-CD2 4.02Å; V719-L828 HydrophobicContact CG1-CD2 3.97Å; M824-L828 HydrophobicContact CB-CD1 4.02Å; M824-L828 HydrophobicContact CG-CD1 4.13Å; M824-L828 WeakPolarHBondContact O-CA 3.28Å; M824-L828 WeakPolarHBondContact O-CB 3.4Å; M824-L828 PolarHBondContact O-N 3.49Å; M824-L828 HydrophobicContact SD-CD1 4.4Å; L828-F833 HydrophobicContact CB-CB 4.32Å
829	V	83.9	Confident	84	Confident	47 Å²	47	51.5 Å²	51.5	29%	0.285	26%	0.263	S	S	.	.			trans	-67	138.9	163.9	176.8	0	0	0	0	110	N720 E723 E831 N832 F833	N720-V829 PolarHBondContact OD1-N 2.83Å; N720-V829 VanDerWaalsContact OD1-N 3.11Å; E723-V829 HydrophobicContact CG-CB 4.42Å; E723-V829 HydrophobicContact CG-CG1 4.36Å; E723-V829 HydrophobicContact CG-CG2 4.14Å; V829-E831 VanDerWaalsContact C-N 3.31Å; V829-E831 PolarHBondContact O-N 3.08Å; V829-N832 PolarHBondContact O-N 2.99Å; V829-F833 PolarHBondContact O-N 3.42Å
830	Q	82.9	Confident	84.1	Confident	90 Å²	90	45.4 Å²	45.4	42%	0.421	23%	0.234	S	C	.	.	H	α-helix	trans	-56.1	-40.1	-173.9	-164.8	67.2	42.8	0	0	113.7	N832 F833 N834	Q830-N832 VanDerWaalsContact C-N 3.31Å; Q830-N832 PolarHBondContact O-N 2.89Å; Q830-F833 PolarHBondContact O-N 2.85Å; Q830-N834 PolarHBondContact NE2-OD1 3.17Å; Q830-N834 WeakPolarHBondContact O-CB 3.12Å; Q830-N834 PolarHBondContact O-N 3.26Å; Q830-N834 PolarHBondContact O-ND2 2.81Å; Q830-N834 PolarHBondContact O-OD1 3Å
831	E	81.7	Confident	84.4	Confident	121 Å²	121	44.5 Å²	44.5	57%	0.565	23%	0.23	S	C	*	.	H	α-helix	trans	-58.3	-44.6	176.7	-67	-175.4	-178	0	0	111.4	R726 V829 S835	R726-E831 IonicContact NH2-OE2 3.33Å; R726-E831 PolarHBondContact NH2-OE2 3.27Å; V829-E831 VanDerWaalsContact C-N 3.31Å; V829-E831 PolarHBondContact O-N 3.08Å; E831-S835 WeakPolarHBondContact O-CB 3.36Å; E831-S835 PolarHBondContact O-N 2.97Å
832	N	85.1	Confident	84.6	Confident	13 Å²	13	47.6 Å²	47.6	7%	0.07	24%	0.244	C	C	.	.	H	α-helix	trans	-72.9	-40.9	-178.7	-70.9	-23.6	0	0	0	111.4	V719 L777 V829 Q830 S835 L836	V719-N832 HydrophobicContact CG1-CB 3.96Å; V719-N832 VanDerWaalsContact CG1-ND2 3.34Å; V719-N832 WeakPolarHBondContact CG1-ND2 3.13Å; L777-N832 HydrophobicContact CD1-CB 4.23Å; L777-N832 HydrophobicContact CD2-CB 4.36Å; V829-N832 PolarHBondContact O-N 2.99Å; Q830-N832 VanDerWaalsContact C-N 3.31Å; Q830-N832 PolarHBondContact O-N 2.89Å; N832-S835 WeakPolarHBondContact CA-OG 3.29Å; N832-S835 PolarHBondContact O-N 3.25Å; N832-S835 PolarHBondContact O-OG 3.46Å; N832-L836 PolarHBondContact O-N 2.97Å; N832-L836 VanDerWaalsContact O-N 3.13Å
833	F	85.6	Confident	84.7	Confident	20 Å²	20	45.5 Å²	45.5	9%	0.088	24%	0.236	C	C	.	.	H	α-helix	trans	-58.8	-50	173	179.9	-106.8	0	0	0	111.7	L821 M824 N825 L828 V829 Q830 S835 L836 L837	L821-F833 HydrophobicContact CD2-CE2 4.13Å; L821-F833 HydrophobicContact CD2-CZ 4.39Å; M824-F833 HydrophobicContact CB-CD2 3.9Å; M824-F833 HydrophobicContact CB-CE2 3.91Å; N825-F833 HydrophobicContact CB-CD2 4.45Å; N825-F833 HydrophobicContact CB-CE1 4.1Å; N825-F833 HydrophobicContact CB-CE2 4.05Å; N825-F833 HydrophobicContact CB-CZ 3.85Å; L828-F833 HydrophobicContact CB-CB 4.32Å; V829-F833 PolarHBondContact O-N 3.42Å; Q830-F833 PolarHBondContact O-N 2.85Å; F833-S835 VanDerWaalsContact C-N 3.26Å; F833-S835 PolarHBondContact O-N 3.23Å; F833-L836 WeakPolarHBondContact O-CB 3.36Å; F833-L836 PolarHBondContact O-N 3.28Å; F833-L837 HydrophobicContact CD1-CD1 4.33Å; F833-L837 HydrophobicContact CE1-CD1 3.93Å; F833-L837 HydrophobicContact CE1-CD2 4.23Å; F833-L837 HydrophobicContact CE1-CG 4.28Å; F833-L837 HydrophobicContact CE2-CD2 4.34Å; F833-L837 HydrophobicContact CZ-CD1 4.46Å; F833-L837 HydrophobicContact CZ-CD2 3.93Å; F833-L837 HydrophobicContact CZ-CG 4.43Å; F833-L837 PolarHBondContact O-N 3.44Å
834	N	84.2	Confident	85	Confident	71 Å²	71	42.6 Å²	42.6	38%	0.38	23%	0.225	S	C	.	.	H	α-helix	trans	-60.8	-36.4	178.2	-68.9	-9.4	0	0	0	112	Q830 L836 L837	Q830-N834 PolarHBondContact NE2-OD1 3.17Å; Q830-N834 WeakPolarHBondContact O-CB 3.12Å; Q830-N834 PolarHBondContact O-N 3.26Å; Q830-N834 PolarHBondContact O-ND2 2.81Å; Q830-N834 PolarHBondContact O-OD1 3Å; N834-L836 VanDerWaalsContact C-N 3.29Å; N834-L836 PolarHBondContact O-N 2.85Å; N834-L837 PolarHBondContact O-N 3.45Å
835	S	84.7	Confident	85.2	Confident	56 Å²	56	42.6 Å²	42.6	39%	0.392	23%	0.225	S	C	.	.	H	α-helix	trans	-68.4	-26.1	177.2	78.5	0	0	0	0	113.6	L777 E831 N832 F833 P839	L777-S835 WeakPolarHBondContact CD1-OG 3.4Å; E831-S835 WeakPolarHBondContact O-CB 3.36Å; E831-S835 PolarHBondContact O-N 2.97Å; N832-S835 WeakPolarHBondContact CA-OG 3.29Å; N832-S835 PolarHBondContact O-N 3.25Å; N832-S835 PolarHBondContact O-OG 3.46Å; F833-S835 VanDerWaalsContact C-N 3.26Å; F833-S835 PolarHBondContact O-N 3.23Å; S835-P839 WeakPolarHBondContact O-CD 3.25Å
836	L	85.8	Confident	85.4	Confident	6 Å²	6	43 Å²	43	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-78.5	-32.9	178	-176.7	71.8	0	0	0	112.5	L780 L784 M824 N832 F833 N834 T838 P839 L840	L780-L836 HydrophobicContact CD2-CD1 3.94Å; L780-L836 HydrophobicContact CD2-CD2 3.44Å; L780-L836 VanDerWaalsContact CD2-CD2 3.44Å; L780-L836 HydrophobicContact CD2-CG 4.34Å; L784-L836 HydrophobicContact CD1-CD2 4.23Å; M824-L836 HydrophobicContact CE-CD2 4.47Å; M824-L836 HydrophobicContact SD-CD2 3.51Å; M824-L836 VanDerWaalsContact SD-CD2 3.51Å; N832-L836 PolarHBondContact O-N 2.97Å; N832-L836 VanDerWaalsContact O-N 3.13Å; F833-L836 WeakPolarHBondContact O-CB 3.36Å; F833-L836 PolarHBondContact O-N 3.28Å; N834-L836 VanDerWaalsContact C-N 3.29Å; N834-L836 PolarHBondContact O-N 2.85Å; L836-T838 VanDerWaalsContact C-N 3.33Å; L836-T838 PolarHBondContact O-N 3.12Å; L836-P839 WeakPolarHBondContact O-CD 3.29Å; L836-L840 VanDerWaalsContact O-CB 3.26Å; L836-L840 WeakPolarHBondContact O-CB 3.26Å; L836-L840 PolarHBondContact O-N 2.81Å; L836-L840 VanDerWaalsContact O-N 3.08Å
837	L	86.3	Confident	85.6	Confident	9 Å²	9	38.6 Å²	38.6	5%	0.047	20%	0.203	C	C	.	.	H	α-helix	trans	-59.5	-40.7	-175.8	-68.3	178.4	0	0	0	112.8	L821 F833 N834 L840 W841 F879 L886	L821-L837 HydrophobicContact CD2-CD2 4.03Å; F833-L837 HydrophobicContact CD1-CD1 4.33Å; F833-L837 HydrophobicContact CE1-CD1 3.93Å; F833-L837 HydrophobicContact CE1-CD2 4.23Å; F833-L837 HydrophobicContact CE1-CG 4.28Å; F833-L837 HydrophobicContact CE2-CD2 4.34Å; F833-L837 HydrophobicContact CZ-CD1 4.46Å; F833-L837 HydrophobicContact CZ-CD2 3.93Å; F833-L837 HydrophobicContact CZ-CG 4.43Å; F833-L837 PolarHBondContact O-N 3.44Å; N834-L837 PolarHBondContact O-N 3.45Å; L837-L840 PolarHBondContact O-N 2.64Å; L837-W841 WeakPolarHBondContact O-CB 3.48Å; L837-W841 PolarHBondContact O-N 2.7Å; L837-F879 HydrophobicContact CD2-CD1 4.2Å; L837-F879 HydrophobicContact CD2-CE1 4.19Å; L837-L886 HydrophobicContact CB-CD1 4.21Å; L837-L886 HydrophobicContact CB-CD2 3.87Å; L837-L886 HydrophobicContact CB-CG 4.01Å
838	T	85.9	Confident	85.8	Confident	54 Å²	54	37 Å²	37	33%	0.331	19%	0.194	S	C	.	.	H	α-helix	trans	-67.4	-52.2	-176.8	-60.8	0	0	0	0	112.4	L836 L840 W841 Q842 L886	L836-T838 VanDerWaalsContact C-N 3.33Å; L836-T838 PolarHBondContact O-N 3.12Å; T838-L840 VanDerWaalsContact C-N 3.32Å; T838-L840 PolarHBondContact O-N 2.88Å; T838-W841 PolarHBondContact O-N 3.2Å; T838-Q842 WeakPolarHBondContact O-CG 3.47Å; T838-Q842 PolarHBondContact O-N 3.34Å; T838-L886 WeakPolarHBondContact OG1-CD2 3.39Å
839	P	85.3	Confident	85.8	Confident	50 Å²	50	41.8 Å²	41.8	33%	0.325	21%	0.213	S	C	.	.	H	α-helix	trans	-58.7	-40.1	172.9	-24.8	33.3	0	0	0	113.5	S835 L836 Q842 N843	S835-P839 WeakPolarHBondContact O-CD 3.25Å; L836-P839 WeakPolarHBondContact O-CD 3.29Å; P839-Q842 PolarHBondContact O-N 3Å; P839-N843 WeakPolarHBondContact O-CB 3.45Å; P839-N843 PolarHBondContact O-N 2.83Å; P839-N843 PolarHBondContact O-ND2 3.34Å
840	L	87.1	Confident	85.8	Confident	1 Å²	1	44 Å²	44	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-63.7	-44.3	179.7	-168.8	73.6	0	0	0	111.4	L784 I788 L821 L836 L837 T838 S844 F879	L784-L840 HydrophobicContact CB-CD1 3.67Å; L784-L840 HydrophobicContact CD1-CD1 3.95Å; L784-L840 HydrophobicContact CD1-CD2 4.27Å; I788-L840 HydrophobicContact CD1-CD1 3.95Å; I788-L840 HydrophobicContact CD1-CG 4.39Å; L821-L840 HydrophobicContact CD2-CD2 3.97Å; L836-L840 VanDerWaalsContact O-CB 3.26Å; L836-L840 WeakPolarHBondContact O-CB 3.26Å; L836-L840 PolarHBondContact O-N 2.81Å; L836-L840 VanDerWaalsContact O-N 3.08Å; L837-L840 PolarHBondContact O-N 2.64Å; T838-L840 VanDerWaalsContact C-N 3.32Å; T838-L840 PolarHBondContact O-N 2.88Å; L840-S844 VanDerWaalsContact O-CB 3.29Å; L840-S844 WeakPolarHBondContact O-CB 3.37Å; L840-S844 PolarHBondContact O-N 3.35Å; L840-S844 PolarHBondContact O-OG 3.11Å; L840-F879 HydrophobicContact CB-CE1 4.07Å; L840-F879 HydrophobicContact CB-CZ 4.31Å; L840-F879 HydrophobicContact CD2-CE1 3.77Å; L840-F879 HydrophobicContact CD2-CZ 3.58Å; L840-F879 HydrophobicContact CG-CE1 4.06Å; L840-F879 HydrophobicContact CG-CZ 3.82Å
841	W	89.5	Confident	85.8	Confident	3 Å²	3	39.8 Å²	39.8	1%	0.011	20%	0.201	C	C	.	.	H	α-helix	trans	-60.7	-51.1	174.2	169.7	-110.2	0	0	0	112.1	L837 T838 N843 S844 V845 L872 L875 E876 F879 L886 L891 Y896	L837-W841 WeakPolarHBondContact O-CB 3.48Å; L837-W841 PolarHBondContact O-N 2.7Å; T838-W841 PolarHBondContact O-N 3.2Å; W841-N843 VanDerWaalsContact C-N 3.34Å; W841-N843 PolarHBondContact O-N 3.37Å; W841-S844 WeakPolarHBondContact O-CB 3.43Å; W841-S844 PolarHBondContact O-N 3.07Å; W841-V845 HydrophobicContact CD2-CG2 3.98Å; W841-V845 HydrophobicContact CE3-CG2 4.3Å; W841-V845 HydrophobicContact CH2-CG2 4.01Å; W841-V845 HydrophobicContact CZ2-CG2 3.65Å; W841-V845 HydrophobicContact CZ3-CG2 4.31Å; W841-V845 WeakPolarHBondContact O-CG2 3.48Å; W841-V845 PolarHBondContact O-N 3.23Å; W841-L872 HydrophobicContact CH2-CD1 4.23Å; W841-L875 HydrophobicContact CZ3-CB 4.03Å; W841-E876 HydrophobicContact CH2-CB 4.22Å; W841-F879 HydrophobicContact CB-CD1 4.03Å; W841-F879 HydrophobicContact CB-CE1 4.17Å; W841-F879 HydrophobicContact CB-CG 4.49Å; W841-F879 HydrophobicContact CE3-CB 4.19Å; W841-F879 AromaticContact CE3-CD2 3.91Å; W841-F879 HydrophobicContact CE3-CD2 3.91Å; W841-F879 HydrophobicContact CE3-CE2 4.45Å; W841-F879 HydrophobicContact CE3-CG 4Å; W841-F879 HydrophobicContact CZ3-CD2 4.43Å; W841-L886 HydrophobicContact CB-CD1 3.81Å; W841-L886 HydrophobicContact CG-CD1 4.2Å; W841-L891 HydrophobicContact CD2-CD2 3.57Å; W841-L891 HydrophobicContact CE3-CD2 3.99Å; W841-L891 HydrophobicContact CG-CD2 3.88Å; W841-L891 HydrophobicContact CH2-CD2 4.35Å; W841-L891 HydrophobicContact CZ2-CB 4.19Å; W841-L891 HydrophobicContact CZ2-CD2 3.96Å; W841-L891 WeakPolarHBondContact CZ2-O 3.36Å; W841-L891 HydrophobicContact CZ3-CD2 4.36Å; W841-L891 PolarHBondContact NE1-O 2.99Å; W841-L891 VanDerWaalsContact NE1-O 3.12Å; W841-Y896 AromaticContact CH2-CD2 3.8Å; W841-Y896 HydrophobicContact CH2-CD2 3.8Å; W841-Y896 HydrophobicContact CH2-CE2 4.01Å; W841-Y896 AromaticContact CZ2-CD2 3.49Å; W841-Y896 HydrophobicContact CZ2-CD2 3.49Å; W841-Y896 VanDerWaalsContact CZ2-CD2 3.49Å; W841-Y896 HydrophobicContact CZ2-CE2 4.06Å; W841-Y896 HydrophobicContact CZ2-CG 4.17Å
842	Q	87.4	Confident	85.7	Confident	81 Å²	81	34.1 Å²	34.1	38%	0.379	17%	0.174	S	C	.	.	H	α-helix	trans	-59.7	-44.6	-178.6	-72.1	177.1	-3.9	0	0	111.8	T838 P839 V845 K846	T838-Q842 WeakPolarHBondContact O-CG 3.47Å; T838-Q842 PolarHBondContact O-N 3.34Å; P839-Q842 PolarHBondContact O-N 3Å; Q842-V845 PolarHBondContact O-N 3.05Å; Q842-K846 VanDerWaalsContact O-CG 3.31Å; Q842-K846 WeakPolarHBondContact O-CG 3.36Å; Q842-K846 PolarHBondContact O-N 3.45Å
843	N	86.3	Confident	85.3	Confident	61 Å²	61	35.9 Å²	35.9	33%	0.326	19%	0.186	S	C	.	.	H	α-helix	trans	-68.9	-36.9	177.5	-71.8	-20.4	0	0	0	111.9	N785 P839 W841 V845 K846 I847	N785-N843 WeakPolarHBondContact ND2-CB 3.48Å; N785-N843 PolarHBondContact ND2-ND2 2.99Å; N785-N843 VanDerWaalsContact ND2-ND2 3.1Å; N785-N843 WeakPolarHBondContact OD1-CB 3.02Å; P839-N843 WeakPolarHBondContact O-CB 3.45Å; P839-N843 PolarHBondContact O-N 2.83Å; P839-N843 PolarHBondContact O-ND2 3.34Å; W841-N843 VanDerWaalsContact C-N 3.34Å; W841-N843 PolarHBondContact O-N 3.37Å; N843-V845 PolarHBondContact O-N 3.45Å; N843-K846 PolarHBondContact O-N 3.06Å; N843-I847 WeakPolarHBondContact O-CB 3.28Å; N843-I847 WeakPolarHBondContact O-CD1 3.47Å; N843-I847 WeakPolarHBondContact O-CG1 3.44Å; N843-I847 PolarHBondContact O-N 2.77Å
844	S	87.8	Confident	84.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.1	-45.4	174.1	-61.6	0	0	0	0	111.8	L840 W841 I847 L848	L840-S844 VanDerWaalsContact O-CB 3.29Å; L840-S844 WeakPolarHBondContact O-CB 3.37Å; L840-S844 PolarHBondContact O-N 3.35Å; L840-S844 PolarHBondContact O-OG 3.11Å; W841-S844 WeakPolarHBondContact O-CB 3.43Å; W841-S844 PolarHBondContact O-N 3.07Å; S844-I847 PolarHBondContact O-N 3.47Å; S844-L848 VanDerWaalsContact O-CG 3.31Å; S844-L848 WeakPolarHBondContact O-CG 3.34Å; S844-L848 PolarHBondContact O-N 2.87Å
845	V	88.7	Confident	83.7	Confident	1 Å²	1	40 Å²	40	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-43.8	174.9	172.1	0	0	0	0	110.9	W841 Q842 N843 L848 Y849 E895 L899	W841-V845 HydrophobicContact CD2-CG2 3.98Å; W841-V845 HydrophobicContact CE3-CG2 4.3Å; W841-V845 HydrophobicContact CH2-CG2 4.01Å; W841-V845 HydrophobicContact CZ2-CG2 3.65Å; W841-V845 HydrophobicContact CZ3-CG2 4.31Å; W841-V845 WeakPolarHBondContact O-CG2 3.48Å; W841-V845 PolarHBondContact O-N 3.23Å; Q842-V845 PolarHBondContact O-N 3.05Å; N843-V845 PolarHBondContact O-N 3.45Å; V845-L848 PolarHBondContact O-N 2.91Å; V845-Y849 WeakPolarHBondContact O-CB 3.41Å; V845-Y849 PolarHBondContact O-N 3.16Å; V845-E895 HydrophobicContact CG1-CB 4.23Å; V845-L899 HydrophobicContact CG1-CB 4.47Å; V845-L899 HydrophobicContact CG1-CD2 3.94Å
846	K	87.3	Confident	82.4	Confident	77 Å²	77	40.4 Å²	40.4	34%	0.335	21%	0.205	S	C	.	.	H	α-helix	trans	-62.6	-44	176.5	-74.5	173.4	-176.3	176.5	0	112.5	Q842 N843 Y849 Q850 E895	Q842-K846 VanDerWaalsContact O-CG 3.31Å; Q842-K846 WeakPolarHBondContact O-CG 3.36Å; Q842-K846 PolarHBondContact O-N 3.45Å; N843-K846 PolarHBondContact O-N 3.06Å; K846-Y849 PolarHBondContact O-N 2.87Å; K846-Q850 WeakPolarHBondContact O-CB 3.2Å; K846-Q850 VanDerWaalsContact O-CG 3.26Å; K846-Q850 WeakPolarHBondContact O-CG 3.36Å; K846-Q850 PolarHBondContact O-N 3.03Å; K846-E895 VanDerWaalsContact CE-CD 3.45Å; K846-E895 WeakPolarHBondContact CE-OE1 3.49Å; K846-E895 WeakPolarHBondContact CE-OE2 3.3Å; K846-E895 IonicContact NZ-OE1 3.76Å
847	I	86	Confident	81	Confident	14 Å²	14	48.9 Å²	48.9	7%	0.072	25%	0.245	C	C	.	.	H	α-helix	trans	-59.9	-48.4	176.8	-74.1	162.7	0	0	0	110.1	N785 I788 E789 N843 S844 Y849 Q850 I851	N785-I847 HydrophobicContact CB-CD1 4.05Å; N785-I847 WeakPolarHBondContact O-CD1 3.33Å; I788-I847 HydrophobicContact CG2-CD1 4.5Å; E789-I847 HydrophobicContact CB-CD1 4.23Å; E789-I847 HydrophobicContact CB-CG2 4.05Å; E789-I847 HydrophobicContact CG-CG2 3.91Å; N843-I847 WeakPolarHBondContact O-CB 3.28Å; N843-I847 WeakPolarHBondContact O-CD1 3.47Å; N843-I847 WeakPolarHBondContact O-CG1 3.44Å; N843-I847 PolarHBondContact O-N 2.77Å; S844-I847 PolarHBondContact O-N 3.47Å; I847-Y849 VanDerWaalsContact C-N 3.32Å; I847-Y849 PolarHBondContact O-N 3.48Å; I847-Q850 PolarHBondContact O-N 3.29Å; I847-I851 HydrophobicContact CG2-CD1 3.72Å; I847-I851 WeakPolarHBondContact O-CB 3.18Å; I847-I851 VanDerWaalsContact O-CG1 3.32Å; I847-I851 WeakPolarHBondContact O-CG1 3.49Å; I847-I851 PolarHBondContact O-N 3.46Å
848	L	85.3	Confident	79.6	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-41.9	177.1	-71.3	169.7	0	0	0	111.7	V792 S844 V845 S852 L868 L872 L875 L899	V792-L848 HydrophobicContact CG1-CD2 3.91Å; V792-L848 HydrophobicContact CG2-CD2 3.92Å; S844-L848 VanDerWaalsContact O-CG 3.31Å; S844-L848 WeakPolarHBondContact O-CG 3.34Å; S844-L848 PolarHBondContact O-N 2.87Å; V845-L848 PolarHBondContact O-N 2.91Å; L848-S852 VanDerWaalsContact O-CB 3.22Å; L848-S852 WeakPolarHBondContact O-CB 3.32Å; L848-S852 PolarHBondContact O-N 3.21Å; L848-S852 PolarHBondContact O-OG 3.45Å; L848-L868 HydrophobicContact CD2-CD2 3.78Å; L848-L872 HydrophobicContact CD1-CD1 3.98Å; L848-L875 HydrophobicContact CD1-CD1 3.71Å; L848-L899 HydrophobicContact CB-CD1 4.48Å; L848-L899 HydrophobicContact CB-CD2 3.72Å; L848-L899 HydrophobicContact CD1-CD2 4.34Å
849	Y	85.3	Confident	78.3	Confident	102 Å²	102	57.8 Å²	57.8	40%	0.4	28%	0.282	S	S	.	.	H	α-helix	trans	-65.8	-47.5	177.1	-173.5	-105.6	0	0	0	112.8	V845 K846 I847 I851 S852 T853 L899	V845-Y849 WeakPolarHBondContact O-CB 3.41Å; V845-Y849 PolarHBondContact O-N 3.16Å; K846-Y849 PolarHBondContact O-N 2.87Å; I847-Y849 VanDerWaalsContact C-N 3.32Å; I847-Y849 PolarHBondContact O-N 3.48Å; Y849-I851 PolarHBondContact O-N 3Å; Y849-S852 WeakPolarHBondContact CA-OG 3.38Å; Y849-S852 PolarHBondContact O-N 2.92Å; Y849-S852 PolarHBondContact O-OG 3.46Å; Y849-T853 HydrophobicContact CD2-CG2 4.43Å; Y849-T853 HydrophobicContact CE1-CG2 4.24Å; Y849-T853 HydrophobicContact CE2-CG2 4.07Å; Y849-T853 WeakPolarHBondContact O-CG2 3.42Å; Y849-T853 PolarHBondContact O-N 2.89Å; Y849-T853 PolarHBondContact O-OG1 3.03Å; Y849-L899 HydrophobicContact CD2-CB 4.16Å; Y849-L899 HydrophobicContact CD2-CD1 3.89Å; Y849-L899 HydrophobicContact CG-CD1 4.43Å
850	Q	84.5	Confident	77.3	Confident	94 Å²	94	57.8 Å²	57.8	44%	0.439	29%	0.291	S	S	.	.	H	α-helix	trans	-59.6	-47.4	177.1	-74.6	175.2	-12	0	0	111.5	K846 I847 S852 T853 Q854	K846-Q850 WeakPolarHBondContact O-CB 3.2Å; K846-Q850 VanDerWaalsContact O-CG 3.26Å; K846-Q850 WeakPolarHBondContact O-CG 3.36Å; K846-Q850 PolarHBondContact O-N 3.03Å; I847-Q850 PolarHBondContact O-N 3.29Å; Q850-S852 PolarHBondContact O-N 3.44Å; Q850-T853 PolarHBondContact O-N 3.44Å; Q850-T853 PolarHBondContact O-OG1 3.27Å; Q850-T853 VanDerWaalsContact O-OG1 3.08Å; Q850-Q854 WeakPolarHBondContact O-CB 3.31Å; Q850-Q854 WeakPolarHBondContact O-CG 3.38Å; Q850-Q854 PolarHBondContact O-N 3.12Å
851	I	81.6	Confident	76.6	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-68	-37	179.6	-65.4	172.6	0	0	0	111	E789 V792 R793 I847 Y849 T853 H855 F864	E789-I851 HydrophobicContact CG-CD1 4.09Å; V792-I851 HydrophobicContact CB-CD1 3.87Å; V792-I851 HydrophobicContact CG1-CB 4.34Å; V792-I851 HydrophobicContact CG1-CD1 3.46Å; V792-I851 VanDerWaalsContact CG1-CD1 3.46Å; V792-I851 HydrophobicContact CG1-CG1 4.49Å; V792-I851 HydrophobicContact CG1-CG2 4.2Å; R793-I851 HydrophobicContact CG-CD1 3.92Å; I847-I851 HydrophobicContact CG2-CD1 3.72Å; I847-I851 WeakPolarHBondContact O-CB 3.18Å; I847-I851 VanDerWaalsContact O-CG1 3.32Å; I847-I851 WeakPolarHBondContact O-CG1 3.49Å; I847-I851 PolarHBondContact O-N 3.46Å; Y849-I851 PolarHBondContact O-N 3Å; I851-T853 VanDerWaalsContact C-N 3.34Å; I851-T853 PolarHBondContact O-N 2.81Å; I851-H855 PolarHBondContact O-CD2 3.24Å; I851-F864 HydrophobicContact CG2-CE1 4.38Å; I851-F864 HydrophobicContact CG2-CZ 3.84Å
852	S	78.9	Confident	75.9	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.007	30%	0.304	C	S	.	.	H	α-helix	trans	-64	-37.8	177.5	72.3	0	0	0	0	112.9	L848 Y849 Q850	L848-S852 VanDerWaalsContact O-CB 3.22Å; L848-S852 WeakPolarHBondContact O-CB 3.32Å; L848-S852 PolarHBondContact O-N 3.21Å; L848-S852 PolarHBondContact O-OG 3.45Å; Y849-S852 WeakPolarHBondContact CA-OG 3.38Å; Y849-S852 PolarHBondContact O-N 2.92Å; Y849-S852 PolarHBondContact O-OG 3.46Å; Q850-S852 PolarHBondContact O-N 3.44Å
853	T	77.2	Confident	75.3	Confident	51 Å²	51	59.5 Å²	59.5	31%	0.313	31%	0.305	S	S	.	.	H	α-helix	trans	-83.4	-28.9	-176.3	50.8	0	0	0	0	113.3	Y849 Q850 I851 H855	Y849-T853 HydrophobicContact CD2-CG2 4.43Å; Y849-T853 HydrophobicContact CE1-CG2 4.24Å; Y849-T853 HydrophobicContact CE2-CG2 4.07Å; Y849-T853 WeakPolarHBondContact O-CG2 3.42Å; Y849-T853 PolarHBondContact O-N 2.89Å; Y849-T853 PolarHBondContact O-OG1 3.03Å; Q850-T853 PolarHBondContact O-N 3.44Å; Q850-T853 PolarHBondContact O-OG1 3.27Å; Q850-T853 VanDerWaalsContact O-OG1 3.08Å; I851-T853 VanDerWaalsContact C-N 3.34Å; I851-T853 PolarHBondContact O-N 2.81Å; T853-H855 PolarHBondContact O-N 2.84Å
854	Q	72.6	Confident	74.8	Confident	131 Å²	131	57.2 Å²	57.2	61%	0.612	29%	0.292	S	S	*	.	H	α-helix	trans	-66.1	-22.2	178.1	-78.6	172.6	0.2	0	0	113.9	Q850	Q850-Q854 WeakPolarHBondContact O-CB 3.31Å; Q850-Q854 WeakPolarHBondContact O-CG 3.38Å; Q850-Q854 PolarHBondContact O-N 3.12Å
855	H	63.4	Low	74.4	Confident	47 Å²	47	57.2 Å²	57.2	22%	0.218	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	21.5	-174.4	-69.2	-62.5	0	0	0	114.7	I851 T853 Q857 Q858	I851-H855 PolarHBondContact O-CD2 3.24Å; T853-H855 PolarHBondContact O-N 2.84Å; H855-Q857 PolarHBondContact O-N 2.95Å; H855-Q858 PolarHBondContact ND1-OE1 3.45Å; H855-Q858 VanDerWaalsContact ND1-OE1 3.15Å; H855-Q858 PolarHBondContact O-N 3.32Å
856	S	58.7	Low	74	Confident	64 Å²	64	60.2 Å²	60.2	45%	0.448	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-12.5	-171.1	60.3	0	0	0	0	117.2
857	Q	56	Low	73.7	Confident	184 Å²	184	58.4 Å²	58.4	86%	0.86	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	11.3	-173.9	-64.9	-173.2	-11.5	0	0	115.4	H855	H855-Q857 PolarHBondContact O-N 2.95Å
858	Q	57.5	Low	73.6	Confident	90 Å²	90	57.8 Å²	57.8	42%	0.421	29%	0.294	S	S	.	.	S	Bend	trans	-109.5	145.6	-170.5	-69.1	178.9	-30.6	0	0	114.8	R799 H855 G860 L861	R799-Q858 VanDerWaalsContact CZ-OE1 3.23Å; H855-Q858 PolarHBondContact ND1-OE1 3.45Å; H855-Q858 VanDerWaalsContact ND1-OE1 3.15Å; H855-Q858 PolarHBondContact O-N 3.32Å; Q858-G860 PolarHBondContact O-N 3.48Å; Q858-L861 PolarHBondContact O-N 3.23Å
859	E	57.2	Low	73.6	Confident	159 Å²	159	59 Å²	59	74%	0.743	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	134	172.4	-70.6	177.3	167	0	0	111.3
860	G	65.4	Low	73.6	Confident	50 Å²	50	57.5 Å²	57.5	52%	0.515	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	8	-177.3	0	0	0	0	0	115.7	Q858 M862 V863 F864	Q858-G860 PolarHBondContact O-N 3.48Å; G860-M862 PolarHBondContact O-N 2.99Å; G860-V863 PolarHBondContact O-N 3.18Å; G860-F864 PolarHBondContact O-N 3.39Å; G860-F864 VanDerWaalsContact O-N 3.09Å
861	L	72.1	Confident	73.6	Confident	21 Å²	21	53 Å²	53	11%	0.11	27%	0.273	C	S	.	.	H	α-helix	trans	-52.4	-39.2	177.8	-176.4	64.2	0	0	0	113.1	Q858 F864 C865	Q858-L861 PolarHBondContact O-N 3.23Å; L861-F864 PolarHBondContact O-N 2.91Å; L861-C865 WeakPolarHBondContact O-CB 3.25Å; L861-C865 PolarHBondContact O-N 3.46Å; L861-C865 PolarHBondContact O-SG 2.96Å
862	M	75.5	Confident	73.9	Confident	36 Å²	36	53 Å²	53	18%	0.177	27%	0.274	C	S	.	.	H	α-helix	trans	-59.6	-52.9	178.4	-174.1	-152.8	-48.1	0	0	112.2	G860 F864 C865 Q866 E1093	G860-M862 PolarHBondContact O-N 2.99Å; M862-F864 VanDerWaalsContact C-N 3.26Å; M862-F864 PolarHBondContact O-N 3.45Å; M862-C865 PolarHBondContact O-N 2.94Å; M862-Q866 VanDerWaalsContact O-CG 3.32Å; M862-Q866 WeakPolarHBondContact O-CG 3.26Å; M862-Q866 PolarHBondContact O-N 3.49Å; M862-E1093 WeakPolarHBondContact CE-OE1 3.21Å
863	V	74.4	Confident	74.4	Confident	65 Å²	65	57 Å²	57	39%	0.394	29%	0.292	S	S	.	.	H	α-helix	trans	-64	-35.3	179.8	179	0	0	0	0	110.7	G860 R867	G860-V863 PolarHBondContact O-N 3.18Å; V863-R867 VanDerWaalsContact O-CG 3.27Å; V863-R867 WeakPolarHBondContact O-CG 3.35Å; V863-R867 PolarHBondContact O-N 2.79Å
864	F	75.9	Confident	74.8	Confident	12 Å²	12	55.4 Å²	55.4	5%	0.053	28%	0.283	C	S	.	.	H	α-helix	trans	-66.7	-46.7	174.4	-178.6	-117.1	0	0	0	112.3	S796 I851 G860 L861 M862 Q866 R867 L868	S796-F864 VanDerWaalsContact CA-CE2 3.45Å; I851-F864 HydrophobicContact CG2-CE1 4.38Å; I851-F864 HydrophobicContact CG2-CZ 3.84Å; G860-F864 PolarHBondContact O-N 3.39Å; G860-F864 VanDerWaalsContact O-N 3.09Å; L861-F864 PolarHBondContact O-N 2.91Å; M862-F864 VanDerWaalsContact C-N 3.26Å; M862-F864 PolarHBondContact O-N 3.45Å; F864-Q866 VanDerWaalsContact C-N 3.33Å; F864-Q866 PolarHBondContact O-N 2.75Å; F864-R867 WeakPolarHBondContact O-CB 3.46Å; F864-R867 PolarHBondContact O-N 3.4Å; F864-L868 HydrophobicContact CD1-CD1 4.03Å; F864-L868 HydrophobicContact CD2-CG 4.49Å; F864-L868 HydrophobicContact CE1-CD1 3.48Å; F864-L868 VanDerWaalsContact CE1-CD1 3.48Å; F864-L868 HydrophobicContact CE1-CG 4.27Å; F864-L868 HydrophobicContact CE2-CD1 4.15Å; F864-L868 HydrophobicContact CE2-CD2 4.22Å; F864-L868 HydrophobicContact CE2-CG 4.11Å; F864-L868 HydrophobicContact CZ-CD1 3.55Å; F864-L868 HydrophobicContact CZ-CD2 4.2Å; F864-L868 HydrophobicContact CZ-CG 4.01Å; F864-L868 WeakPolarHBondContact O-CG 3.42Å; F864-L868 PolarHBondContact O-N 3.48Å
865	C	79.4	Confident	75.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.6	-34.6	175.1	-70.6	0	0	0	0	112.4	L861 M862 L868 L869 L903 H906	L861-C865 WeakPolarHBondContact O-CB 3.25Å; L861-C865 PolarHBondContact O-N 3.46Å; L861-C865 PolarHBondContact O-SG 2.96Å; M862-C865 PolarHBondContact O-N 2.94Å; C865-L868 PolarHBondContact O-N 3.1Å; C865-L869 VanDerWaalsContact O-CB 3.24Å; C865-L869 WeakPolarHBondContact O-CB 3.08Å; C865-L869 PolarHBondContact O-N 3.03Å; C865-L903 HydrophobicContact CB-CD2 4.27Å; C865-H906 HydrophobicContact CB-CB 4.15Å
866	Q	79.6	Confident	76.7	Confident	64 Å²	64	48.5 Å²	48.5	30%	0.299	25%	0.251	S	S	.	.	H	α-helix	trans	-62.9	-44.5	172.2	-75	172.3	-6.5	0	0	111.7	T806 M862 F864 L869 Y870 S907	T806-Q866 HydrophobicContact CG2-CB 4.31Å; M862-Q866 VanDerWaalsContact O-CG 3.32Å; M862-Q866 WeakPolarHBondContact O-CG 3.26Å; M862-Q866 PolarHBondContact O-N 3.49Å; F864-Q866 VanDerWaalsContact C-N 3.33Å; F864-Q866 PolarHBondContact O-N 2.75Å; Q866-L869 PolarHBondContact O-N 3.22Å; Q866-Y870 PolarHBondContact O-N 3.49Å; Q866-S907 PolarHBondContact NE2-O 2.77Å
867	R	81.6	Confident	77.9	Confident	40 Å²	40	52.2 Å²	52.2	15%	0.151	26%	0.261	C	S	.	.	H	α-helix	trans	-61.6	-46.7	174.1	-71.2	168.7	-178	179.9	2.6	111.4	R798 T806 A809 V863 F864 L869 Y870 T871	R798-R867 PolarHBondContact O-NH1 3Å; T806-R867 HydrophobicContact CG2-CG 4.23Å; A809-R867 HydrophobicContact CB-CB 4.48Å; A809-R867 HydrophobicContact CB-CG 3.99Å; V863-R867 VanDerWaalsContact O-CG 3.27Å; V863-R867 WeakPolarHBondContact O-CG 3.35Å; V863-R867 PolarHBondContact O-N 2.79Å; F864-R867 WeakPolarHBondContact O-CB 3.46Å; F864-R867 PolarHBondContact O-N 3.4Å; R867-L869 PolarHBondContact O-N 2.88Å; R867-Y870 PolarHBondContact O-N 3.44Å; R867-T871 WeakPolarHBondContact O-CB 3.42Å; R867-T871 PolarHBondContact O-N 3.19Å; R867-T871 PolarHBondContact O-OG1 3.47Å
868	L	83.2	Confident	79.3	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-66.2	-35.8	178.9	-68.8	-177.6	0	0	0	112.9	V792 L848 F864 C865 T871 L872 L903	V792-L868 HydrophobicContact CG1-CD2 3.99Å; L848-L868 HydrophobicContact CD2-CD2 3.78Å; F864-L868 HydrophobicContact CD1-CD1 4.03Å; F864-L868 HydrophobicContact CD2-CG 4.49Å; F864-L868 HydrophobicContact CE1-CD1 3.48Å; F864-L868 VanDerWaalsContact CE1-CD1 3.48Å; F864-L868 HydrophobicContact CE1-CG 4.27Å; F864-L868 HydrophobicContact CE2-CD1 4.15Å; F864-L868 HydrophobicContact CE2-CD2 4.22Å; F864-L868 HydrophobicContact CE2-CG 4.11Å; F864-L868 HydrophobicContact CZ-CD1 3.55Å; F864-L868 HydrophobicContact CZ-CD2 4.2Å; F864-L868 HydrophobicContact CZ-CG 4.01Å; F864-L868 WeakPolarHBondContact O-CG 3.42Å; F864-L868 PolarHBondContact O-N 3.48Å; C865-L868 PolarHBondContact O-N 3.1Å; L868-T871 PolarHBondContact O-N 2.93Å; L868-L872 WeakPolarHBondContact O-CB 3.24Å; L868-L872 PolarHBondContact O-N 3.46Å; L868-L903 HydrophobicContact CB-CD1 4.08Å; L868-L903 HydrophobicContact CB-CD2 3.95Å; L868-L903 HydrophobicContact CD1-CD2 4.15Å
869	L	85	Confident	80.7	Confident	28 Å²	28	41.1 Å²	41.1	15%	0.147	21%	0.213	C	C	.	.	H	α-helix	trans	-65.1	-43.6	176	-177.4	63	0	0	0	111	C865 Q866 R867 L872 Q873 L903	C865-L869 VanDerWaalsContact O-CB 3.24Å; C865-L869 WeakPolarHBondContact O-CB 3.08Å; C865-L869 PolarHBondContact O-N 3.03Å; Q866-L869 PolarHBondContact O-N 3.22Å; R867-L869 PolarHBondContact O-N 2.88Å; L869-L872 PolarHBondContact O-N 2.78Å; L869-Q873 WeakPolarHBondContact O-CG 3.08Å; L869-Q873 PolarHBondContact O-N 3.48Å; L869-Q873 VanDerWaalsContact O-N 3.11Å; L869-L903 HydrophobicContact CB-CB 4.28Å; L869-L903 HydrophobicContact CD1-CB 4.13Å
870	Y	84.9	Confident	82.1	Confident	69 Å²	69	36.3 Å²	36.3	27%	0.271	19%	0.19	S	C	.	.	H	α-helix	trans	-63.4	-46.6	173.7	-176.2	-97.4	0	0	0	111.5	E807 A810 Q866 R867 L872 Q873 C874	E807-Y870 HydrophobicContact CB-CE1 4.04Å; E807-Y870 HydrophobicContact CG-CE1 3.99Å; E807-Y870 HydrophobicContact CG-CE2 4.22Å; A810-Y870 HydrophobicContact CB-CD1 3.89Å; A810-Y870 HydrophobicContact CB-CE1 4.07Å; Q866-Y870 PolarHBondContact O-N 3.49Å; R867-Y870 PolarHBondContact O-N 3.44Å; Y870-L872 VanDerWaalsContact C-N 3.29Å; Y870-L872 PolarHBondContact O-N 2.9Å; Y870-Q873 WeakPolarHBondContact O-CB 3.45Å; Y870-Q873 PolarHBondContact O-N 3.35Å; Y870-Q873 VanDerWaalsContact O-N 3.11Å; Y870-C874 WeakPolarHBondContact CE1-SG 3.11Å; Y870-C874 PolarHBondContact O-N 2.84Å; Y870-C874 PolarHBondContact O-SG 2.92Å; Y870-C874 VanDerWaalsContact O-SG 3.38Å
871	T	85.9	Confident	82.9	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57.6	-41.4	174.7	-59.1	0	0	0	0	111.8	M795 A810 L813 R867 L868 Q873 C874 L875	M795-T871 HydrophobicContact CE-CG2 4.4Å; A810-T871 WeakPolarHBondContact CB-OG1 3.33Å; L813-T871 HydrophobicContact CD2-CG2 3.74Å; R867-T871 WeakPolarHBondContact O-CB 3.42Å; R867-T871 PolarHBondContact O-N 3.19Å; R867-T871 PolarHBondContact O-OG1 3.47Å; L868-T871 PolarHBondContact O-N 2.93Å; T871-Q873 VanDerWaalsContact C-N 3.33Å; T871-Q873 PolarHBondContact O-N 2.79Å; T871-C874 PolarHBondContact O-N 2.92Å; T871-L875 HydrophobicContact CG2-CD1 4.02Å; T871-L875 HydrophobicContact CG2-CG 4.34Å; T871-L875 WeakPolarHBondContact O-CB 3.35Å; T871-L875 VanDerWaalsContact O-CG 3.25Å; T871-L875 WeakPolarHBondContact O-CG 3.46Å; T871-L875 PolarHBondContact O-N 3.28Å
872	L	88.4	Confident	83.3	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-62.4	-38.6	176.9	-178.4	64	0	0	0	112.1	W841 L848 L868 L869 Y870 L875 E876 Y896 L899 K900 L903	W841-L872 HydrophobicContact CH2-CD1 4.23Å; L848-L872 HydrophobicContact CD1-CD1 3.98Å; L868-L872 WeakPolarHBondContact O-CB 3.24Å; L868-L872 PolarHBondContact O-N 3.46Å; L869-L872 PolarHBondContact O-N 2.78Å; Y870-L872 VanDerWaalsContact C-N 3.29Å; Y870-L872 PolarHBondContact O-N 2.9Å; L872-L875 PolarHBondContact O-N 2.9Å; L872-E876 WeakPolarHBondContact O-CB 3.48Å; L872-E876 PolarHBondContact O-N 3.21Å; L872-Y896 HydrophobicContact CD1-CD2 3.96Å; L872-Y896 HydrophobicContact CD1-CE2 3.96Å; L872-Y896 HydrophobicContact CD2-CD2 4.31Å; L872-Y896 HydrophobicContact CD2-CE2 4.02Å; L872-Y896 HydrophobicContact CG-CD2 4.35Å; L872-Y896 HydrophobicContact CG-CE2 3.91Å; L872-L899 HydrophobicContact CD1-CD2 3.92Å; L872-L899 HydrophobicContact CD2-CD2 3.91Å; L872-L899 HydrophobicContact CD2-CG 4.02Å; L872-K900 HydrophobicContact CD2-CB 4.28Å; L872-L903 HydrophobicContact CD2-CD1 4.11Å
873	Q	87.8	Confident	83.4	Confident	84 Å²	84	43.1 Å²	43.1	39%	0.393	23%	0.233	S	C	.	.	H	α-helix	trans	-66.5	-43.7	174.9	-70	171.2	-14.4	0	0	111.7	L869 Y870 T871 L875 E876 Q877	L869-Q873 WeakPolarHBondContact O-CG 3.08Å; L869-Q873 PolarHBondContact O-N 3.48Å; L869-Q873 VanDerWaalsContact O-N 3.11Å; Y870-Q873 WeakPolarHBondContact O-CB 3.45Å; Y870-Q873 PolarHBondContact O-N 3.35Å; Y870-Q873 VanDerWaalsContact O-N 3.11Å; T871-Q873 VanDerWaalsContact C-N 3.33Å; T871-Q873 PolarHBondContact O-N 2.79Å; Q873-L875 VanDerWaalsContact C-N 3.33Å; Q873-L875 PolarHBondContact O-N 3.5Å; Q873-E876 PolarHBondContact O-N 3.41Å; Q873-Q877 WeakPolarHBondContact O-CG 3.38Å; Q873-Q877 PolarHBondContact O-N 2.82Å
874	C	85.8	Confident	83.5	Confident	17 Å²	17	46.6 Å²	46.6	12%	0.115	25%	0.25	C	C	.	.	H	α-helix	trans	-62.5	-40.2	175.5	-64.8	0	0	0	0	112	M814 Y870 T871 Q877 C878	M814-C874 HydrophobicContact CE-CB 3.89Å; M814-C874 WeakPolarHBondContact CE-O 3.33Å; M814-C874 HydrophobicContact CG-CB 4.1Å; M814-C874 HydrophobicContact SD-CB 3.63Å; Y870-C874 WeakPolarHBondContact CE1-SG 3.11Å; Y870-C874 PolarHBondContact O-N 2.84Å; Y870-C874 PolarHBondContact O-SG 2.92Å; Y870-C874 VanDerWaalsContact O-SG 3.38Å; T871-C874 PolarHBondContact O-N 2.92Å; C874-Q877 PolarHBondContact O-N 3.23Å; C874-C878 VanDerWaalsContact O-CB 3.26Å; C874-C878 WeakPolarHBondContact O-CB 3.32Å; C874-C878 PolarHBondContact O-N 3.34Å
875	L	87.5	Confident	83.8	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-66.4	-41.8	175.6	-70	171.1	0	0	0	111.6	M814 L817 W841 L848 T871 L872 Q873 Q877 C878 F879	M814-L875 HydrophobicContact SD-CD2 4.05Å; M814-L875 HydrophobicContact SD-CG 4.35Å; L817-L875 HydrophobicContact CD1-CD2 3.19Å; W841-L875 HydrophobicContact CZ3-CB 4.03Å; L848-L875 HydrophobicContact CD1-CD1 3.71Å; T871-L875 HydrophobicContact CG2-CD1 4.02Å; T871-L875 HydrophobicContact CG2-CG 4.34Å; T871-L875 WeakPolarHBondContact O-CB 3.35Å; T871-L875 VanDerWaalsContact O-CG 3.25Å; T871-L875 WeakPolarHBondContact O-CG 3.46Å; T871-L875 PolarHBondContact O-N 3.28Å; L872-L875 PolarHBondContact O-N 2.9Å; Q873-L875 VanDerWaalsContact C-N 3.33Å; Q873-L875 PolarHBondContact O-N 3.5Å; L875-Q877 VanDerWaalsContact C-N 3.31Å; L875-Q877 PolarHBondContact O-N 2.9Å; L875-C878 PolarHBondContact O-N 2.9Å; L875-F879 HydrophobicContact CD2-CE2 4.24Å; L875-F879 WeakPolarHBondContact O-CD2 2.89Å; L875-F879 PolarHBondContact O-N 2.79Å
876	E	87.9	Confident	84	Confident	31 Å²	31	47.8 Å²	47.8	15%	0.145	26%	0.262	C	S	.	.	H	α-helix	trans	-57	-46	174.8	179.8	-179.6	-178.1	0	0	111.3	W841 L872 Q873 H880 L891 H892 Y896	W841-E876 HydrophobicContact CH2-CB 4.22Å; L872-E876 WeakPolarHBondContact O-CB 3.48Å; L872-E876 PolarHBondContact O-N 3.21Å; Q873-E876 PolarHBondContact O-N 3.41Å; E876-H880 WeakPolarHBondContact O-CB 3.38Å; E876-H880 PolarHBondContact O-N 2.82Å; E876-L891 HydrophobicContact CG-CD1 4.48Å; E876-H892 IonicContact OE1-CD2 3.5Å; E876-H892 IonicContact OE1-CE1 3.24Å; E876-H892 IonicContact OE1-NE2 2.72Å; E876-H892 PolarHBondContact OE1-NE2 2.78Å; E876-Y896 VanDerWaalsContact CD-OH 3.31Å; E876-Y896 PolarHBondContact OE2-OH 3.48Å
877	Q	85.7	Confident	84.4	Confident	142 Å²	142	48.6 Å²	48.6	66%	0.664	27%	0.274	S	S	*	.	H	α-helix	trans	-64.9	-44.1	176.6	-70	175.5	-7.3	0	0	112	Q873 C874 L875 H880 A881	Q873-Q877 WeakPolarHBondContact O-CG 3.38Å; Q873-Q877 PolarHBondContact O-N 2.82Å; C874-Q877 PolarHBondContact O-N 3.23Å; L875-Q877 VanDerWaalsContact C-N 3.31Å; L875-Q877 PolarHBondContact O-N 2.9Å; Q877-H880 PolarHBondContact O-N 2.55Å; Q877-A881 PolarHBondContact O-N 3.16Å
878	C	85.5	Confident	84.5	Confident	38 Å²	38	52.1 Å²	52.1	26%	0.257	29%	0.292	S	S	.	.	H	α-helix	trans	-62.3	-46.1	179.9	177.9	0	0	0	0	112.6	M814 C874 L875 A881	M814-C878 HydrophobicContact CE-CB 3.66Å; C874-C878 VanDerWaalsContact O-CB 3.26Å; C874-C878 WeakPolarHBondContact O-CB 3.32Å; C874-C878 PolarHBondContact O-N 3.34Å; L875-C878 PolarHBondContact O-N 2.9Å; C878-A881 PolarHBondContact O-N 3.17Å
879	F	86.4	Confident	84.5	Confident	3 Å²	3	61.7 Å²	61.7	1%	0.013	33%	0.333	C	S	.	.	H	α-helix	trans	-77	-21.1	178.4	-80.5	-94.7	0	0	0	113.2	L837 L840 W841 L875 G885 L886 L891	L837-F879 HydrophobicContact CD2-CD1 4.2Å; L837-F879 HydrophobicContact CD2-CE1 4.19Å; L840-F879 HydrophobicContact CB-CE1 4.07Å; L840-F879 HydrophobicContact CB-CZ 4.31Å; L840-F879 HydrophobicContact CD2-CE1 3.77Å; L840-F879 HydrophobicContact CD2-CZ 3.58Å; L840-F879 HydrophobicContact CG-CE1 4.06Å; L840-F879 HydrophobicContact CG-CZ 3.82Å; W841-F879 HydrophobicContact CB-CD1 4.03Å; W841-F879 HydrophobicContact CB-CE1 4.17Å; W841-F879 HydrophobicContact CB-CG 4.49Å; W841-F879 HydrophobicContact CE3-CB 4.19Å; W841-F879 AromaticContact CE3-CD2 3.91Å; W841-F879 HydrophobicContact CE3-CD2 3.91Å; W841-F879 HydrophobicContact CE3-CE2 4.45Å; W841-F879 HydrophobicContact CE3-CG 4Å; W841-F879 HydrophobicContact CZ3-CD2 4.43Å; L875-F879 HydrophobicContact CD2-CE2 4.24Å; L875-F879 WeakPolarHBondContact O-CD2 2.89Å; L875-F879 PolarHBondContact O-N 2.79Å; F879-G885 CarbonylContact O-C 3.5Å; F879-G885 WeakPolarHBondContact O-CA 3.28Å; F879-L886 HydrophobicContact CB-CD1 4.49Å; F879-L886 HydrophobicContact CD1-CD1 4.2Å; F879-L886 PolarHBondContact O-N 3.33Å; F879-L891 HydrophobicContact CB-CD2 3.89Å
880	H	85.6	Confident	84.3	Confident	59 Å²	59	62.3 Å²	62.3	27%	0.273	34%	0.343	S	S	.	.	H	α-helix	trans	-76.5	-37.7	171.3	-172.4	49	0	0	0	112.4	E876 Q877 D882 G883 G885 L886 L891	E876-H880 WeakPolarHBondContact O-CB 3.38Å; E876-H880 PolarHBondContact O-N 2.82Å; Q877-H880 PolarHBondContact O-N 2.55Å; H880-D882 VanDerWaalsContact C-N 3.34Å; H880-D882 PolarHBondContact O-N 2.84Å; H880-G883 PolarHBondContact O-N 2.76Å; H880-G885 PolarHBondContact O-N 3.47Å; H880-L886 PolarHBondContact ND1-O 3.17Å; H880-L886 VanDerWaalsContact ND1-O 3.08Å; H880-L891 HydrophobicContact CB-CD1 3.74Å
881	A	83.8	Confident	84.4	Confident	40 Å²	40	59.1 Å²	59.1	33%	0.331	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	47.2	49.5	176.7	0	0	0	0	0	113.8	Q877 C878 G883 N884	Q877-A881 PolarHBondContact O-N 3.16Å; C878-A881 PolarHBondContact O-N 3.17Å; A881-G883 PolarHBondContact O-N 2.92Å; A881-G883 VanDerWaalsContact O-N 3.11Å; A881-N884 HydrophobicContact CB-CB 4.42Å; A881-N884 WeakPolarHBondContact O-CB 2.81Å; A881-N884 PolarHBondContact O-N 3.27Å; A881-N884 PolarHBondContact O-ND2 2.69Å
882	D	79.5	Confident	84.5	Confident	157 Å²	157	61.9 Å²	61.9	84%	0.84	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	51.8	33.8	-178.2	-60	-34.2	0	0	0	114.4	H880	H880-D882 VanDerWaalsContact C-N 3.34Å; H880-D882 PolarHBondContact O-N 2.84Å
883	G	76.7	Confident	84.4	Confident	52 Å²	52	63.2 Å²	63.2	54%	0.536	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	92.2	-2.6	-179.9	0	0	0	0	0	114.8	H880 A881	H880-G883 PolarHBondContact O-N 2.76Å; A881-G883 PolarHBondContact O-N 2.92Å; A881-G883 VanDerWaalsContact O-N 3.11Å
884	N	77.9	Confident	84.3	Confident	138 Å²	138	64.9 Å²	64.9	74%	0.738	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-11.1	174.8	-61	-55.1	0	0	0	113.5	A881	A881-N884 HydrophobicContact CB-CB 4.42Å; A881-N884 WeakPolarHBondContact O-CB 2.81Å; A881-N884 PolarHBondContact O-N 3.27Å; A881-N884 PolarHBondContact O-ND2 2.69Å
885	G	80.9	Confident	84.2	Confident	25 Å²	25	68 Å²	68	26%	0.258	38%	0.377	S	S	.	.	S	Bend	trans	-103.8	-131.6	179.4	0	0	0	0	0	113.1	F879 H880	F879-G885 CarbonylContact O-C 3.5Å; F879-G885 WeakPolarHBondContact O-CA 3.28Å; H880-G885 PolarHBondContact O-N 3.47Å
886	L	85.4	Confident	84.2	Confident	12 Å²	12	68.1 Å²	68.1	6%	0.063	38%	0.377	C	S	.	.	S	Bend	trans	-77.9	141.3	179	-64.6	177.4	0	0	0	111.7	L837 T838 W841 F879 H880 L891	L837-L886 HydrophobicContact CB-CD1 4.21Å; L837-L886 HydrophobicContact CB-CD2 3.87Å; L837-L886 HydrophobicContact CB-CG 4.01Å; T838-L886 WeakPolarHBondContact OG1-CD2 3.39Å; W841-L886 HydrophobicContact CB-CD1 3.81Å; W841-L886 HydrophobicContact CG-CD1 4.2Å; F879-L886 HydrophobicContact CB-CD1 4.49Å; F879-L886 HydrophobicContact CD1-CD1 4.2Å; F879-L886 PolarHBondContact O-N 3.33Å; H880-L886 PolarHBondContact ND1-O 3.17Å; H880-L886 VanDerWaalsContact ND1-O 3.08Å; L886-L891 HydrophobicContact CB-CD1 4.45Å; L886-L891 HydrophobicContact CB-CD2 3.88Å; L886-L891 HydrophobicContact CB-CG 3.96Å; L886-L891 HydrophobicContact CD1-CD2 3.82Å; L886-L891 HydrophobicContact CG-CD2 4.48Å
887	P	86.8	Confident	84.2	Confident	82 Å²	82	72 Å²	72	53%	0.532	39%	0.394	S	S	.	.			trans	-68.3	147.9	174.7	28.7	-33.5	0	0	0	110.4	K889 A890 L891	P887-K889 PolarHBondContact O-N 3.42Å; P887-A890 HydrophobicContact CG-CB 3.84Å; P887-A890 WeakPolarHBondContact O-CB 3.37Å; P887-A890 PolarHBondContact O-N 3.37Å; P887-L891 PolarHBondContact O-N 3.19Å
888	Q	83.1	Confident	84.2	Confident	113 Å²	113	70.1 Å²	70.1	53%	0.528	39%	0.388	S	S	.	.	H	α-helix	trans	-56.3	-32.2	-176.5	-160.1	168.6	29.2	0	0	113.2	A890 L891 H892	Q888-A890 VanDerWaalsContact C-N 3.34Å; Q888-A890 PolarHBondContact O-N 3.2Å; Q888-L891 PolarHBondContact O-N 3.09Å; Q888-H892 PolarHBondContact O-N 3.09Å
889	K	83.2	Confident	84.3	Confident	201 Å²	201	68.3 Å²	68.3	87%	0.874	38%	0.376	S	S	*	.	H	α-helix	trans	-63.3	-34.6	173.9	-67.2	-176.3	179.1	179.7	0	113.6	P887	P887-K889 PolarHBondContact O-N 3.42Å
890	A	82.1	Confident	84.3	Confident	42 Å²	42	71.6 Å²	71.6	35%	0.347	39%	0.39	S	S	.	.	H	α-helix	trans	-79.2	-30.4	177.6	0	0	0	0	0	111.9	P887 Q888	P887-A890 HydrophobicContact CG-CB 3.84Å; P887-A890 WeakPolarHBondContact O-CB 3.37Å; P887-A890 PolarHBondContact O-N 3.37Å; Q888-A890 VanDerWaalsContact C-N 3.34Å; Q888-A890 PolarHBondContact O-N 3.2Å
891	L	86.7	Confident	84.2	Confident	1 Å²	1	70.8 Å²	70.8	1%	0.005	39%	0.394	C	S	.	.	H	α-helix	trans	-71.3	-43.2	176.3	-67.6	173.3	0	0	0	112	W841 E876 F879 H880 L886 P887 Q888 S893 Y896	W841-L891 HydrophobicContact CD2-CD2 3.57Å; W841-L891 HydrophobicContact CE3-CD2 3.99Å; W841-L891 HydrophobicContact CG-CD2 3.88Å; W841-L891 HydrophobicContact CH2-CD2 4.35Å; W841-L891 HydrophobicContact CZ2-CB 4.19Å; W841-L891 HydrophobicContact CZ2-CD2 3.96Å; W841-L891 WeakPolarHBondContact CZ2-O 3.36Å; W841-L891 HydrophobicContact CZ3-CD2 4.36Å; W841-L891 PolarHBondContact NE1-O 2.99Å; W841-L891 VanDerWaalsContact NE1-O 3.12Å; E876-L891 HydrophobicContact CG-CD1 4.48Å; F879-L891 HydrophobicContact CB-CD2 3.89Å; H880-L891 HydrophobicContact CB-CD1 3.74Å; L886-L891 HydrophobicContact CB-CD1 4.45Å; L886-L891 HydrophobicContact CB-CD2 3.88Å; L886-L891 HydrophobicContact CB-CG 3.96Å; L886-L891 HydrophobicContact CD1-CD2 3.82Å; L886-L891 HydrophobicContact CG-CD2 4.48Å; P887-L891 PolarHBondContact O-N 3.19Å; Q888-L891 PolarHBondContact O-N 3.09Å; L891-S893 PolarHBondContact O-N 2.92Å; L891-Y896 WeakPolarHBondContact O-CB 3.44Å
892	H	88.1	Confident	84.2	Confident	58 Å²	58	71 Å²	71	27%	0.269	39%	0.388	S	S	.	.	S	Bend	trans	-82	51.2	-177	-64.6	-179.9	0	0	0	113.3	E876 Q888 Y896 K897	E876-H892 IonicContact OE1-CD2 3.5Å; E876-H892 IonicContact OE1-CE1 3.24Å; E876-H892 IonicContact OE1-NE2 2.72Å; E876-H892 PolarHBondContact OE1-NE2 2.78Å; Q888-H892 PolarHBondContact O-N 3.09Å; H892-Y896 HydrophobicContact CB-CD1 4.45Å; H892-Y896 AromaticContact CD2-CE1 3.62Å; H892-K897 WeakPolarHBondContact O-CE 3.5Å
893	S	87.1	Confident	84.4	Confident	31 Å²	31	63.6 Å²	63.6	22%	0.217	35%	0.348	C	S	.	.			trans	-62.9	161.9	172.3	70.1	0	0	0	0	111.7	L891 E895 Y896 K897	L891-S893 PolarHBondContact O-N 2.92Å; S893-E895 PolarHBondContact O-N 3.12Å; S893-Y896 WeakPolarHBondContact O-CB 3.43Å; S893-Y896 PolarHBondContact O-N 3.2Å; S893-Y896 VanDerWaalsContact O-N 3.12Å; S893-Y896 PolarHBondContact OG-N 2.93Å; S893-K897 PolarHBondContact O-N 2.88Å
894	D	84.4	Confident	84.8	Confident	118 Å²	118	63.9 Å²	63.9	63%	0.631	34%	0.34	S	S	*	.	H	α-helix	trans	-62.3	-34.8	176.6	-62.7	-34.7	0	0	0	111.6	K897 N898	D894-K897 PolarHBondContact O-N 2.86Å; D894-K897 IonicContact OD1-NZ 3.5Å; D894-N898 WeakPolarHBondContact O-CB 3.47Å; D894-N898 PolarHBondContact O-N 3.49Å; D894-N898 PolarHBondContact O-ND2 3.09Å
895	E	83.5	Confident	84.7	Confident	83 Å²	83	61.3 Å²	61.3	39%	0.388	32%	0.323	S	S	.	.	H	α-helix	trans	-60.9	-43.2	172.6	-64.8	178	166.3	0	0	111.8	V845 K846 S893 N898 L899	V845-E895 HydrophobicContact CG1-CB 4.23Å; K846-E895 VanDerWaalsContact CE-CD 3.45Å; K846-E895 WeakPolarHBondContact CE-OE1 3.49Å; K846-E895 WeakPolarHBondContact CE-OE2 3.3Å; K846-E895 IonicContact NZ-OE1 3.76Å; S893-E895 PolarHBondContact O-N 3.12Å; E895-N898 PolarHBondContact O-N 3.35Å; E895-L899 WeakPolarHBondContact O-CB 3.41Å; E895-L899 PolarHBondContact O-N 2.81Å
896	Y	88.7	Confident	84.6	Confident	5 Å²	5	62.1 Å²	62.1	2%	0.02	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-45.1	175	165.7	-88.5	0	0	0	111.7	W841 L872 E876 L891 H892 S893 N898 L899 K900	W841-Y896 AromaticContact CH2-CD2 3.8Å; W841-Y896 HydrophobicContact CH2-CD2 3.8Å; W841-Y896 HydrophobicContact CH2-CE2 4.01Å; W841-Y896 AromaticContact CZ2-CD2 3.49Å; W841-Y896 HydrophobicContact CZ2-CD2 3.49Å; W841-Y896 VanDerWaalsContact CZ2-CD2 3.49Å; W841-Y896 HydrophobicContact CZ2-CE2 4.06Å; W841-Y896 HydrophobicContact CZ2-CG 4.17Å; L872-Y896 HydrophobicContact CD1-CD2 3.96Å; L872-Y896 HydrophobicContact CD1-CE2 3.96Å; L872-Y896 HydrophobicContact CD2-CD2 4.31Å; L872-Y896 HydrophobicContact CD2-CE2 4.02Å; L872-Y896 HydrophobicContact CG-CD2 4.35Å; L872-Y896 HydrophobicContact CG-CE2 3.91Å; E876-Y896 VanDerWaalsContact CD-OH 3.31Å; E876-Y896 PolarHBondContact OE2-OH 3.48Å; L891-Y896 WeakPolarHBondContact O-CB 3.44Å; H892-Y896 HydrophobicContact CB-CD1 4.45Å; H892-Y896 AromaticContact CD2-CE1 3.62Å; S893-Y896 WeakPolarHBondContact O-CB 3.43Å; S893-Y896 PolarHBondContact O-N 3.2Å; S893-Y896 VanDerWaalsContact O-N 3.12Å; S893-Y896 PolarHBondContact OG-N 2.93Å; Y896-N898 VanDerWaalsContact C-N 3.33Å; Y896-N898 PolarHBondContact O-N 3.39Å; Y896-L899 PolarHBondContact O-N 2.89Å; Y896-K900 HydrophobicContact CE1-CD 3.86Å; Y896-K900 VanDerWaalsContact O-CB 3.29Å; Y896-K900 WeakPolarHBondContact O-CB 3.49Å; Y896-K900 PolarHBondContact O-N 3.32Å; Y896-K900 WeakPolarHBondContact OH-CD 3.36Å; Y896-K900 PolarHBondContact OH-NZ 3.5Å
897	K	86.9	Confident	84.5	Confident	111 Å²	111	62.2 Å²	62.2	48%	0.483	32%	0.322	S	S	.	.	H	α-helix	trans	-62.2	-42	178.9	-69.3	174.3	-171.5	162.8	0	111.4	H892 S893 D894 K900 A901	H892-K897 WeakPolarHBondContact O-CE 3.5Å; S893-K897 PolarHBondContact O-N 2.88Å; D894-K897 PolarHBondContact O-N 2.86Å; D894-K897 IonicContact OD1-NZ 3.5Å; K897-K900 PolarHBondContact O-N 3.38Å; K897-A901 WeakPolarHBondContact O-CB 3.37Å; K897-A901 PolarHBondContact O-N 3Å
898	N	85.5	Confident	84.3	Confident	103 Å²	103	60 Å²	60	55%	0.551	31%	0.305	S	S	*	.	H	α-helix	trans	-63.8	-46.2	176.5	-70.4	-19.8	0	0	0	111.5	D894 E895 Y896 A901 H902	D894-N898 WeakPolarHBondContact O-CB 3.47Å; D894-N898 PolarHBondContact O-N 3.49Å; D894-N898 PolarHBondContact O-ND2 3.09Å; E895-N898 PolarHBondContact O-N 3.35Å; Y896-N898 VanDerWaalsContact C-N 3.33Å; Y896-N898 PolarHBondContact O-N 3.39Å; N898-A901 PolarHBondContact O-N 3.06Å; N898-H902 WeakPolarHBondContact O-CB 3.48Å; N898-H902 PolarHBondContact O-N 2.83Å
899	L	87.2	Confident	84.3	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.1	-49	174.8	174.1	63.1	0	0	0	111.5	V845 L848 Y849 L872 E895 Y896 A901 H902 L903	V845-L899 HydrophobicContact CG1-CB 4.47Å; V845-L899 HydrophobicContact CG1-CD2 3.94Å; L848-L899 HydrophobicContact CB-CD1 4.48Å; L848-L899 HydrophobicContact CB-CD2 3.72Å; L848-L899 HydrophobicContact CD1-CD2 4.34Å; Y849-L899 HydrophobicContact CD2-CB 4.16Å; Y849-L899 HydrophobicContact CD2-CD1 3.89Å; Y849-L899 HydrophobicContact CG-CD1 4.43Å; L872-L899 HydrophobicContact CD1-CD2 3.92Å; L872-L899 HydrophobicContact CD2-CD2 3.91Å; L872-L899 HydrophobicContact CD2-CG 4.02Å; E895-L899 WeakPolarHBondContact O-CB 3.41Å; E895-L899 PolarHBondContact O-N 2.81Å; Y896-L899 PolarHBondContact O-N 2.89Å; L899-A901 VanDerWaalsContact C-N 3.35Å; L899-A901 PolarHBondContact O-N 3.38Å; L899-H902 PolarHBondContact O-N 3.5Å; L899-L903 HydrophobicContact CD1-CD1 3.68Å; L899-L903 HydrophobicContact CD1-CD2 4.35Å; L899-L903 HydrophobicContact CD1-CG 3.75Å; L899-L903 HydrophobicContact CD2-CD1 4.48Å; L899-L903 HydrophobicContact CG-CD1 3.86Å; L899-L903 HydrophobicContact CG-CG 4.27Å; L899-L903 WeakPolarHBondContact O-CB 3.34Å; L899-L903 WeakPolarHBondContact O-CG 3.16Å; L899-L903 PolarHBondContact O-N 3.11Å
900	K	87	Confident	84.3	Confident	73 Å²	73	47.8 Å²	47.8	32%	0.317	26%	0.256	S	S	.	.	H	α-helix	trans	-60.4	-44.7	-179.9	-173.4	176.9	-168.1	162.6	0	111.3	L872 Y896 K897 T904	L872-K900 HydrophobicContact CD2-CB 4.28Å; Y896-K900 HydrophobicContact CE1-CD 3.86Å; Y896-K900 VanDerWaalsContact O-CB 3.29Å; Y896-K900 WeakPolarHBondContact O-CB 3.49Å; Y896-K900 PolarHBondContact O-N 3.32Å; Y896-K900 WeakPolarHBondContact OH-CD 3.36Å; Y896-K900 PolarHBondContact OH-NZ 3.5Å; K897-K900 PolarHBondContact O-N 3.38Å; K900-T904 VanDerWaalsContact O-CB 3.25Å; K900-T904 WeakPolarHBondContact O-CB 3.24Å; K900-T904 PolarHBondContact O-N 3.36Å; K900-T904 PolarHBondContact O-OG1 2.89Å
901	A	84.2	Confident	84.4	Confident	42 Å²	42	49.2 Å²	49.2	35%	0.347	26%	0.255	S	S	.	.	H	α-helix	trans	-59.9	-51.6	174.7	0	0	0	0	0	110.6	K897 N898 L899 L903 T904 H905	K897-A901 WeakPolarHBondContact O-CB 3.37Å; K897-A901 PolarHBondContact O-N 3Å; N898-A901 PolarHBondContact O-N 3.06Å; L899-A901 VanDerWaalsContact C-N 3.35Å; L899-A901 PolarHBondContact O-N 3.38Å; A901-L903 PolarHBondContact O-N 3.43Å; A901-T904 PolarHBondContact O-N 2.97Å; A901-H905 PolarHBondContact O-CD2 3.46Å; A901-H905 PolarHBondContact O-N 2.92Å
902	H	82.9	Confident	84.3	Confident	45 Å²	45	53.3 Å²	53.3	21%	0.208	27%	0.274	C	S	.	.	H	α-helix	trans	-55.5	-51.6	178.5	-177.7	66.5	0	0	0	112.2	N898 L899 T904 H905 H906	N898-H902 WeakPolarHBondContact O-CB 3.48Å; N898-H902 PolarHBondContact O-N 2.83Å; L899-H902 PolarHBondContact O-N 3.5Å; H902-T904 VanDerWaalsContact C-N 3.34Å; H902-T904 PolarHBondContact O-N 3.43Å; H902-H905 PolarHBondContact O-N 2.66Å; H902-H906 AromaticContact CE1-CD2 3.44Å; H902-H906 PolarHBondContact CE1-CD2 3Å; H902-H906 VanDerWaalsContact CE1-CD2 3.44Å; H902-H906 AromaticContact CE1-CE1 3.86Å; H902-H906 AromaticContact CE1-NE2 3.24Å; H902-H906 PolarHBondContact CE1-NE2 3.47Å; H902-H906 AromaticContact ND1-CD2 3.49Å; H902-H906 PolarHBondContact ND1-CD2 3.04Å; H902-H906 AromaticContact ND1-NE2 3.5Å; H902-H906 PolarHBondContact ND1-NE2 3.43Å; H902-H906 PolarHBondContact O-CD2 3.24Å; H902-H906 PolarHBondContact O-N 3.4Å
903	L	84.1	Confident	84.2	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.4	-38.6	178.2	-67.1	178.5	0	0	0	112.4	C865 L868 L869 L872 L899 A901 H906 S907	C865-L903 HydrophobicContact CB-CD2 4.27Å; L868-L903 HydrophobicContact CB-CD1 4.08Å; L868-L903 HydrophobicContact CB-CD2 3.95Å; L868-L903 HydrophobicContact CD1-CD2 4.15Å; L869-L903 HydrophobicContact CB-CB 4.28Å; L869-L903 HydrophobicContact CD1-CB 4.13Å; L872-L903 HydrophobicContact CD2-CD1 4.11Å; L899-L903 HydrophobicContact CD1-CD1 3.68Å; L899-L903 HydrophobicContact CD1-CD2 4.35Å; L899-L903 HydrophobicContact CD1-CG 3.75Å; L899-L903 HydrophobicContact CD2-CD1 4.48Å; L899-L903 HydrophobicContact CG-CD1 3.86Å; L899-L903 HydrophobicContact CG-CG 4.27Å; L899-L903 WeakPolarHBondContact O-CB 3.34Å; L899-L903 WeakPolarHBondContact O-CG 3.16Å; L899-L903 PolarHBondContact O-N 3.11Å; A901-L903 PolarHBondContact O-N 3.43Å; L903-H906 PolarHBondContact O-N 3.12Å; L903-S907 WeakPolarHBondContact O-CB 3.32Å; L903-S907 PolarHBondContact O-N 3.01Å; L903-S907 PolarHBondContact O-OG 2.83Å
904	T	84.9	Confident	84.3	Confident	58 Å²	58	49.3 Å²	49.3	36%	0.356	25%	0.252	S	S	.	.	H	α-helix	trans	-64.1	-46.4	176.9	-56.1	0	0	0	0	110.6	K900 A901 H902 H906 S907 L908	K900-T904 VanDerWaalsContact O-CB 3.25Å; K900-T904 WeakPolarHBondContact O-CB 3.24Å; K900-T904 PolarHBondContact O-N 3.36Å; K900-T904 PolarHBondContact O-OG1 2.89Å; A901-T904 PolarHBondContact O-N 2.97Å; H902-T904 VanDerWaalsContact C-N 3.34Å; H902-T904 PolarHBondContact O-N 3.43Å; T904-H906 PolarHBondContact O-N 3.28Å; T904-S907 WeakPolarHBondContact CA-OG 3.32Å; T904-S907 PolarHBondContact O-N 3.25Å; T904-S907 PolarHBondContact O-OG 2.9Å; T904-L908 WeakPolarHBondContact O-CG 3.09Å
905	H	76.9	Confident	84.5	Confident	85 Å²	85	45.7 Å²	45.7	39%	0.394	23%	0.232	S	C	.	.	H	α-helix	trans	-62.1	-41.5	178.5	-77.7	-72.9	0	0	0	112.5	A901 H902 K916 L1086	A901-H905 PolarHBondContact O-CD2 3.46Å; A901-H905 PolarHBondContact O-N 2.92Å; H902-H905 PolarHBondContact O-N 2.66Å; H905-K916 PolarHBondContact CE1-NZ 2.91Å; H905-L1086 WeakPolarHBondContact O-CD2 3.49Å
906	H	78.8	Confident	84.6	Confident	41 Å²	41	46 Å²	46	19%	0.19	23%	0.231	C	C	.	.	H	α-helix	trans	-82.6	-11.6	-177.8	-74.7	-104	0	0	0	114.2	C865 H902 L903 T904 L1086	C865-H906 HydrophobicContact CB-CB 4.15Å; H902-H906 AromaticContact CE1-CD2 3.44Å; H902-H906 PolarHBondContact CE1-CD2 3Å; H902-H906 VanDerWaalsContact CE1-CD2 3.44Å; H902-H906 AromaticContact CE1-CE1 3.86Å; H902-H906 AromaticContact CE1-NE2 3.24Å; H902-H906 PolarHBondContact CE1-NE2 3.47Å; H902-H906 AromaticContact ND1-CD2 3.49Å; H902-H906 PolarHBondContact ND1-CD2 3.04Å; H902-H906 AromaticContact ND1-NE2 3.5Å; H902-H906 PolarHBondContact ND1-NE2 3.43Å; H902-H906 PolarHBondContact O-CD2 3.24Å; H902-H906 PolarHBondContact O-N 3.4Å; L903-H906 PolarHBondContact O-N 3.12Å; T904-H906 PolarHBondContact O-N 3.28Å; H906-L1086 VanDerWaalsContact CE1-CD1 3.46Å; H906-L1086 WeakPolarHBondContact CE1-CD1 3.25Å; H906-L1086 WeakPolarHBondContact ND1-CD1 3.28Å
907	S	81.8	Confident	84.7	Confident	14 Å²	14	46 Å²	46	10%	0.098	23%	0.232	C	C	.	.	H	α-helix	trans	-93.1	-12.2	179.3	55.2	0	0	0	0	115.1	Q866 L903 T904	Q866-S907 PolarHBondContact NE2-O 2.77Å; L903-S907 WeakPolarHBondContact O-CB 3.32Å; L903-S907 PolarHBondContact O-N 3.01Å; L903-S907 PolarHBondContact O-OG 2.83Å; T904-S907 WeakPolarHBondContact CA-OG 3.32Å; T904-S907 PolarHBondContact O-N 3.25Å; T904-S907 PolarHBondContact O-OG 2.9Å
908	L	83.3	Confident	84.8	Confident	36 Å²	36	40.8 Å²	40.8	19%	0.188	21%	0.209	C	C	.	.	S	Bend	trans	-62.7	149	177.8	-67	174.8	0	0	0	112.1	T904 Q912 L913 K916 R1090	T904-L908 WeakPolarHBondContact O-CG 3.09Å; L908-Q912 HydrophobicContact CB-CB 4.25Å; L908-Q912 HydrophobicContact CD2-CB 4.39Å; L908-L913 HydrophobicContact CB-CD2 3.99Å; L908-L913 HydrophobicContact CB-CG 4.08Å; L908-L913 HydrophobicContact CD1-CD2 3.8Å; L908-K916 HydrophobicContact CD1-CD 4.44Å; L908-R1090 VanDerWaalsContact O-CZ 3.24Å; L908-R1090 PolarHBondContact O-NH1 2.83Å; L908-R1090 PolarHBondContact O-NH2 3.36Å
909	T	82.8	Confident	85	Confident	53 Å²	53	41.9 Å²	41.9	33%	0.325	21%	0.209	S	C	.	.			trans	-72.9	165.6	172.9	68.3	0	0	0	0	111.1	H911 Q912 L913 R1090	T909-H911 VanDerWaalsContact C-N 3.32Å; T909-H911 PolarHBondContact O-N 3.06Å; T909-Q912 VanDerWaalsContact N-OE1 3.08Å; T909-Q912 PolarHBondContact O-N 2.9Å; T909-Q912 WeakPolarHBondContact OG1-CG 3.48Å; T909-Q912 PolarHBondContact OG1-N 3.33Å; T909-Q912 PolarHBondContact OG1-OE1 2.99Å; T909-L913 WeakPolarHBondContact O-CG 3.4Å; T909-L913 PolarHBondContact O-N 3.41Å; T909-L913 VanDerWaalsContact O-N 3.07Å; T909-R1090 PolarHBondContact O-NH1 3.36Å
910	S	83.4	Confident	85.1	Confident	5 Å²	5	45.7 Å²	45.7	4%	0.035	22%	0.223	C	C	.	.	H	α-helix	trans	-67.8	-33.6	-179.1	-68.3	0	0	0	0	112.5	L913 I914 R1090 E1093	S910-L913 PolarHBondContact O-N 2.72Å; S910-I914 VanDerWaalsContact O-CG1 3.25Å; S910-I914 WeakPolarHBondContact O-CG1 3.35Å; S910-I914 PolarHBondContact O-N 2.99Å; S910-R1090 VanDerWaalsContact CA-NH1 3.33Å; S910-R1090 WeakPolarHBondContact OG-CD 3.36Å; S910-R1090 PolarHBondContact OG-NH1 2.76Å; S910-E1093 WeakPolarHBondContact CB-OE2 3.46Å; S910-E1093 PolarHBondContact OG-OE2 2.72Å
911	H	84.8	Confident	85.2	Confident	71 Å²	71	43.3 Å²	43.3	33%	0.329	21%	0.213	S	C	.	.	H	α-helix	trans	-59.7	-48.7	171.4	-62.4	151.3	0	0	0	111.9	T909 L913 I914 E915 H980 E1095	T909-H911 VanDerWaalsContact C-N 3.32Å; T909-H911 PolarHBondContact O-N 3.06Å; H911-L913 VanDerWaalsContact C-N 3.29Å; H911-L913 PolarHBondContact O-N 3.3Å; H911-I914 PolarHBondContact O-N 3.43Å; H911-I914 VanDerWaalsContact O-N 3.11Å; H911-E915 WeakPolarHBondContact O-CG 3.28Å; H911-E915 PolarHBondContact O-N 2.87Å; H911-H980 AromaticContact CD2-CG 3.62Å; H911-H980 AromaticContact CD2-ND1 3.85Å; H911-H980 AromaticContact CG-CD2 3.96Å; H911-H980 AromaticContact CG-CG 3.98Å; H911-E1095 IonicContact CD2-OE1 3.86Å; H911-E1095 IonicContact CD2-OE2 3.32Å; H911-E1095 IonicContact CE1-OE2 2.75Å; H911-E1095 VanDerWaalsContact NE2-CD 3.3Å; H911-E1095 IonicContact NE2-OE1 3.89Å; H911-E1095 PolarHBondContact NE2-OE1 3.02Å; H911-E1095 IonicContact NE2-OE2 3.45Å; H911-E1095 PolarHBondContact NE2-OE2 3.16Å
912	Q	84.8	Confident	85.4	Confident	87 Å²	87	41.8 Å²	41.8	41%	0.407	20%	0.199	S	C	.	.	H	α-helix	trans	-63.1	-33.7	178.2	-71.7	173.5	-24.5	0	0	112.9	L908 T909 K916	L908-Q912 HydrophobicContact CB-CB 4.25Å; L908-Q912 HydrophobicContact CD2-CB 4.39Å; T909-Q912 VanDerWaalsContact N-OE1 3.08Å; T909-Q912 PolarHBondContact O-N 2.9Å; T909-Q912 WeakPolarHBondContact OG1-CG 3.48Å; T909-Q912 PolarHBondContact OG1-N 3.33Å; T909-Q912 PolarHBondContact OG1-OE1 2.99Å; Q912-K916 VanDerWaalsContact O-CB 3.28Å; Q912-K916 WeakPolarHBondContact O-CB 3.28Å; Q912-K916 PolarHBondContact O-N 3.42Å
913	L	85.8	Confident	85.7	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-69.4	-40.9	173.8	-73.3	-178.3	0	0	0	111.9	L908 T909 S910 H911 K916 F917 I1083 L1086 L1087	L908-L913 HydrophobicContact CB-CD2 3.99Å; L908-L913 HydrophobicContact CB-CG 4.08Å; L908-L913 HydrophobicContact CD1-CD2 3.8Å; T909-L913 WeakPolarHBondContact O-CG 3.4Å; T909-L913 PolarHBondContact O-N 3.41Å; T909-L913 VanDerWaalsContact O-N 3.07Å; S910-L913 PolarHBondContact O-N 2.72Å; H911-L913 VanDerWaalsContact C-N 3.29Å; H911-L913 PolarHBondContact O-N 3.3Å; L913-K916 PolarHBondContact O-N 3.2Å; L913-F917 WeakPolarHBondContact O-CB 3.47Å; L913-F917 PolarHBondContact O-N 3.37Å; L913-I1083 HydrophobicContact CB-CG2 4.07Å; L913-I1083 HydrophobicContact CD2-CG2 4.31Å; L913-I1083 VanDerWaalsContact O-CG2 3.28Å; L913-I1083 WeakPolarHBondContact O-CG2 3.15Å; L913-L1086 HydrophobicContact CD1-CD2 3.6Å; L913-L1086 HydrophobicContact CD1-CG 3.88Å; L913-L1086 HydrophobicContact CD2-CD2 3.79Å; L913-L1086 HydrophobicContact CG-CD2 4.38Å; L913-L1087 HydrophobicContact CB-CD1 4.24Å; L913-L1087 HydrophobicContact CB-CD2 3.79Å; L913-L1087 HydrophobicContact CB-CG 4.03Å; L913-L1087 HydrophobicContact CD1-CD2 3.82Å; L913-L1087 HydrophobicContact CD1-CG 4.07Å; L913-L1087 HydrophobicContact CG-CD2 4.48Å
914	I	87.9	Confident	85.9	Confident	5 Å²	5	44.7 Å²	44.7	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-65.1	-45.2	177.1	-68.5	166.7	0	0	0	110.5	S910 H911 K916 F917 F918 P978 L1087 F1099	S910-I914 VanDerWaalsContact O-CG1 3.25Å; S910-I914 WeakPolarHBondContact O-CG1 3.35Å; S910-I914 PolarHBondContact O-N 2.99Å; H911-I914 PolarHBondContact O-N 3.43Å; H911-I914 VanDerWaalsContact O-N 3.11Å; I914-K916 VanDerWaalsContact C-N 3.32Å; I914-K916 PolarHBondContact O-N 2.87Å; I914-F917 WeakPolarHBondContact O-CB 3.26Å; I914-F917 PolarHBondContact O-N 3.43Å; I914-F917 VanDerWaalsContact O-N 3.16Å; I914-F918 HydrophobicContact CG2-CD2 3.79Å; I914-F918 HydrophobicContact CG2-CE2 3.59Å; I914-F918 VanDerWaalsContact O-CD2 3.26Å; I914-F918 WeakPolarHBondContact O-CD2 3.48Å; I914-F918 PolarHBondContact O-N 3.47Å; I914-P978 HydrophobicContact CG2-CB 3.68Å; I914-L1087 HydrophobicContact CG1-CD1 3.87Å; I914-L1087 HydrophobicContact CG1-CD2 4.36Å; I914-F1099 HydrophobicContact CD1-CB 4.12Å; I914-F1099 HydrophobicContact CD1-CD1 4.44Å; I914-F1099 HydrophobicContact CD1-CD2 4.38Å; I914-F1099 HydrophobicContact CD1-CG 4.06Å; I914-F1099 HydrophobicContact CG1-CD1 3.96Å; I914-F1099 HydrophobicContact CG1-CD2 4.34Å; I914-F1099 HydrophobicContact CG1-CE1 4.21Å; I914-F1099 HydrophobicContact CG1-CG 4.02Å; I914-F1099 HydrophobicContact CG2-CD2 4.14Å; I914-F1099 HydrophobicContact CG2-CE2 3.87Å; I914-F1099 HydrophobicContact CG2-CZ 4.11Å
915	E	88.9	Confident	86.1	Confident	42 Å²	42	42.4 Å²	42.4	20%	0.196	20%	0.204	C	C	.	.	H	α-helix	trans	-56.5	-46	173.2	-72.9	167.5	-165.4	0	0	111.6	H911 F917 F918 K919 P978 H980 P1017	H911-E915 WeakPolarHBondContact O-CG 3.28Å; H911-E915 PolarHBondContact O-N 2.87Å; E915-F917 VanDerWaalsContact C-N 3.32Å; E915-F917 PolarHBondContact O-N 3.04Å; E915-F918 PolarHBondContact O-N 3.32Å; E915-K919 WeakPolarHBondContact O-CB 3.35Å; E915-K919 PolarHBondContact O-N 2.88Å; E915-P978 HydrophobicContact CG-CG 4.28Å; E915-H980 IonicContact OE1-CD2 3.22Å; E915-H980 IonicContact OE1-CE1 2.79Å; E915-H980 IonicContact OE1-NE2 2.92Å; E915-H980 PolarHBondContact OE1-NE2 3.4Å; E915-P1017 WeakPolarHBondContact CB-O 3.47Å; E915-P1017 WeakPolarHBondContact CG-O 3.46Å
916	K	87.1	Confident	86.5	Confident	88 Å²	88	44.4 Å²	44.4	38%	0.383	21%	0.208	S	C	.	.	H	α-helix	trans	-65.5	-34.4	178	-167.1	173.1	-177.3	166.5	0	112.5	H905 L908 Q912 L913 I914 R920 I1083	H905-K916 PolarHBondContact CE1-NZ 2.91Å; L908-K916 HydrophobicContact CD1-CD 4.44Å; Q912-K916 VanDerWaalsContact O-CB 3.28Å; Q912-K916 WeakPolarHBondContact O-CB 3.28Å; Q912-K916 PolarHBondContact O-N 3.42Å; L913-K916 PolarHBondContact O-N 3.2Å; I914-K916 VanDerWaalsContact C-N 3.32Å; I914-K916 PolarHBondContact O-N 2.87Å; K916-R920 WeakPolarHBondContact O-CB 3.35Å; K916-R920 PolarHBondContact O-N 3.02Å; K916-R920 VanDerWaalsContact O-N 3.12Å; K916-I1083 HydrophobicContact CB-CD1 4.21Å; K916-I1083 HydrophobicContact CD-CD1 4.26Å; K916-I1083 HydrophobicContact CG-CD1 3.86Å
917	F	89.2	Confident	87	Confident	7 Å²	7	48.9 Å²	48.9	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-62.4	-50.2	173	173.7	-88.5	0	0	0	111	L913 I914 E915 R920 K921 D1081 I1083 F1099 R1103	L913-F917 WeakPolarHBondContact O-CB 3.47Å; L913-F917 PolarHBondContact O-N 3.37Å; I914-F917 WeakPolarHBondContact O-CB 3.26Å; I914-F917 PolarHBondContact O-N 3.43Å; I914-F917 VanDerWaalsContact O-N 3.16Å; E915-F917 VanDerWaalsContact C-N 3.32Å; E915-F917 PolarHBondContact O-N 3.04Å; F917-R920 WeakPolarHBondContact O-CB 3.46Å; F917-R920 PolarHBondContact O-N 3Å; F917-K921 HydrophobicContact CD1-CG 4.33Å; F917-K921 HydrophobicContact CE1-CG 3.87Å; F917-K921 HydrophobicContact CZ-CD 4.43Å; F917-K921 HydrophobicContact CZ-CG 4Å; F917-K921 PolarHBondContact O-N 3.3Å; F917-D1081 VanDerWaalsContact CD2-OD2 3.24Å; F917-D1081 WeakPolarHBondContact CD2-OD2 3.5Å; F917-D1081 HydrophobicContact CE2-CB 4.38Å; F917-D1081 VanDerWaalsContact CE2-OD2 3.27Å; F917-D1081 WeakPolarHBondContact CE2-OD2 3.22Å; F917-I1083 HydrophobicContact CB-CG2 4.03Å; F917-F1099 HydrophobicContact CD1-CE1 4.14Å; F917-F1099 AromaticContact CD1-CZ 3.56Å; F917-F1099 HydrophobicContact CD1-CZ 3.56Å; F917-F1099 HydrophobicContact CE1-CE1 4.46Å; F917-F1099 AromaticContact CE1-CZ 3.85Å; F917-F1099 HydrophobicContact CE1-CZ 3.85Å; F917-F1099 HydrophobicContact CG-CE1 4.29Å; F917-F1099 HydrophobicContact CG-CZ 4.14Å; F917-R1103 HydrophobicContact CE1-CG 4.48Å; F917-R1103 HydrophobicContact CZ-CG 4.38Å
918	F	90.4	Very high	87.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67.5	-40.5	179.9	-76.3	-66.1	0	0	0	112.9	I914 E915 R920 K921 I922 E977 P978 G1018 C1020 V1022 F1041 F1099	I914-F918 HydrophobicContact CG2-CD2 3.79Å; I914-F918 HydrophobicContact CG2-CE2 3.59Å; I914-F918 VanDerWaalsContact O-CD2 3.26Å; I914-F918 WeakPolarHBondContact O-CD2 3.48Å; I914-F918 PolarHBondContact O-N 3.47Å; E915-F918 PolarHBondContact O-N 3.32Å; F918-R920 PolarHBondContact O-N 3.41Å; F918-K921 PolarHBondContact O-N 3.43Å; F918-I922 VanDerWaalsContact O-CG1 3.28Å; F918-I922 WeakPolarHBondContact O-CG1 3.31Å; F918-I922 PolarHBondContact O-N 2.96Å; F918-E977 HydrophobicContact CD1-CB 4.33Å; F918-E977 HydrophobicContact CD2-CB 4.44Å; F918-E977 HydrophobicContact CE1-CB 3.69Å; F918-E977 HydrophobicContact CE1-CG 4.03Å; F918-E977 HydrophobicContact CE2-CB 3.83Å; F918-E977 HydrophobicContact CE2-CG 4.41Å; F918-E977 HydrophobicContact CZ-CB 3.41Å; F918-E977 VanDerWaalsContact CZ-CB 3.41Å; F918-E977 HydrophobicContact CZ-CG 3.64Å; F918-P978 HydrophobicContact CD2-CB 3.82Å; F918-P978 HydrophobicContact CE2-CB 3.79Å; F918-G1018 WeakPolarHBondContact CB-O 3.39Å; F918-C1020 VanDerWaalsContact CD1-SG 3.58Å; F918-V1022 HydrophobicContact CE1-CG2 4.04Å; F918-F1041 HydrophobicContact CD1-CD1 4.46Å; F918-F1041 HydrophobicContact CD1-CE1 4.33Å; F918-F1041 HydrophobicContact CE1-CE1 4.25Å; F918-F1099 AromaticContact CE2-CE2 3.51Å; F918-F1099 HydrophobicContact CE2-CE2 3.51Å; F918-F1099 AromaticContact CE2-CZ 3.92Å; F918-F1099 HydrophobicContact CE2-CZ 3.92Å; F918-F1099 AromaticContact CZ-CE2 3.58Å; F918-F1099 HydrophobicContact CZ-CE2 3.58Å; F918-F1099 HydrophobicContact CZ-CZ 4.05Å
919	K	89.1	Confident	86.8	Confident	126 Å²	126	58.6 Å²	58.6	55%	0.548	27%	0.273	S	S	.	.	H	α-helix	trans	-55.4	-42	173.3	-173.4	170.2	-176.7	165.8	0	111.9	E915 S923	E915-K919 WeakPolarHBondContact O-CB 3.35Å; E915-K919 PolarHBondContact O-N 2.88Å; K919-S923 PolarHBondContact O-N 3.08Å; K919-S923 VanDerWaalsContact O-N 3.16Å; K919-S923 PolarHBondContact O-OG 3.29Å
920	R	88.4	Confident	86.6	Confident	81 Å²	81	57.4 Å²	57.4	31%	0.306	27%	0.272	S	S	.	.	H	α-helix	trans	-63.4	-45.2	174.1	178.7	-175.1	170.7	174.2	3.2	111.7	K916 F917 F918 I922 S923 E924 D1081	K916-R920 WeakPolarHBondContact O-CB 3.35Å; K916-R920 PolarHBondContact O-N 3.02Å; K916-R920 VanDerWaalsContact O-N 3.12Å; F917-R920 WeakPolarHBondContact O-CB 3.46Å; F917-R920 PolarHBondContact O-N 3Å; F918-R920 PolarHBondContact O-N 3.41Å; R920-I922 VanDerWaalsContact C-N 3.35Å; R920-I922 PolarHBondContact O-N 3.27Å; R920-S923 PolarHBondContact O-N 3.02Å; R920-E924 IonicContact CZ-OE1 3.38Å; R920-E924 IonicContact NE-OE1 2.73Å; R920-E924 PolarHBondContact NE-OE1 3.44Å; R920-E924 IonicContact NH2-OE1 3.56Å; R920-E924 PolarHBondContact NH2-OE1 3.5Å; R920-E924 WeakPolarHBondContact O-CG 3.25Å; R920-E924 PolarHBondContact O-N 3.44Å; R920-D1081 IonicContact NH1-OD1 3.26Å; R920-D1081 PolarHBondContact NH1-OD1 3.35Å; R920-D1081 IonicContact NH1-OD2 3.71Å
921	K	89.1	Confident	86.7	Confident	22 Å²	22	61.2 Å²	61.2	10%	0.096	29%	0.289	C	S	.	.	H	α-helix	trans	-63.7	-37.8	179.4	-72.1	-72.2	164.5	-158.8	0	113.2	F917 F918 E924 Q925 F1041	F917-K921 HydrophobicContact CD1-CG 4.33Å; F917-K921 HydrophobicContact CE1-CG 3.87Å; F917-K921 HydrophobicContact CZ-CD 4.43Å; F917-K921 HydrophobicContact CZ-CG 4Å; F917-K921 PolarHBondContact O-N 3.3Å; F918-K921 PolarHBondContact O-N 3.43Å; K921-E924 WeakPolarHBondContact CD-OE2 3.19Å; K921-E924 WeakPolarHBondContact CE-OE2 3.49Å; K921-E924 IonicContact NZ-OE2 3.91Å; K921-E924 PolarHBondContact NZ-OE2 3.12Å; K921-E924 PolarHBondContact O-N 3.07Å; K921-Q925 PolarHBondContact O-N 3.45Å; K921-F1041 HydrophobicContact CB-CD1 4.08Å; K921-F1041 HydrophobicContact CB-CD2 4.15Å; K921-F1041 HydrophobicContact CB-CE1 4.13Å; K921-F1041 HydrophobicContact CB-CE2 4.2Å; K921-F1041 HydrophobicContact CB-CG 4.09Å; K921-F1041 HydrophobicContact CB-CZ 4.19Å; K921-F1041 HydrophobicContact CD-CE2 4.09Å; K921-F1041 HydrophobicContact CD-CZ 4.17Å; K921-F1041 HydrophobicContact CG-CE1 4.43Å; K921-F1041 HydrophobicContact CG-CE2 4.46Å; K921-F1041 HydrophobicContact CG-CZ 4.22Å
922	I	89.7	Confident	86.7	Confident	11 Å²	11	63.1 Å²	63.1	6%	0.056	30%	0.297	C	S	.	.	H	α-helix	trans	-61	-46.5	172.4	-66.6	163.2	0	0	0	110.5	F918 R920 Q925 R926 C1020 A1043	F918-I922 VanDerWaalsContact O-CG1 3.28Å; F918-I922 WeakPolarHBondContact O-CG1 3.31Å; F918-I922 PolarHBondContact O-N 2.96Å; R920-I922 VanDerWaalsContact C-N 3.35Å; R920-I922 PolarHBondContact O-N 3.27Å; I922-Q925 WeakPolarHBondContact O-CB 3.3Å; I922-Q925 PolarHBondContact O-N 3.16Å; I922-R926 PolarHBondContact O-N 3.04Å; I922-C1020 HydrophobicContact CD1-CB 3.72Å; I922-C1020 HydrophobicContact CG1-CB 3.88Å; I922-A1043 HydrophobicContact CD1-CB 4.18Å; I922-A1043 HydrophobicContact CG1-CB 4.41Å; I922-A1043 HydrophobicContact CG2-CB 3.56Å
923	S	88.6	Confident	86.8	Confident	55 Å²	55	59.1 Å²	59.1	39%	0.385	28%	0.278	S	S	.	.	H	α-helix	trans	-62.2	-43.7	175.9	-60	0	0	0	0	112	K919 R920 Q925 R926 D927	K919-S923 PolarHBondContact O-N 3.08Å; K919-S923 VanDerWaalsContact O-N 3.16Å; K919-S923 PolarHBondContact O-OG 3.29Å; R920-S923 PolarHBondContact O-N 3.02Å; S923-Q925 VanDerWaalsContact C-N 3.27Å; S923-Q925 PolarHBondContact O-N 2.79Å; S923-R926 PolarHBondContact O-N 2.86Å; S923-D927 PolarHBondContact O-N 3.5Å; S923-D927 VanDerWaalsContact O-N 3.15Å
924	E	87.9	Confident	87	Confident	50 Å²	50	59.1 Å²	59.1	23%	0.234	28%	0.278	C	S	.	.	H	α-helix	trans	-58.5	-39.6	174.6	-72.7	173.5	-172.7	0	0	111.5	R920 K921 Y928 M1074	R920-E924 IonicContact CZ-OE1 3.38Å; R920-E924 IonicContact NE-OE1 2.73Å; R920-E924 PolarHBondContact NE-OE1 3.44Å; R920-E924 IonicContact NH2-OE1 3.56Å; R920-E924 PolarHBondContact NH2-OE1 3.5Å; R920-E924 WeakPolarHBondContact O-CG 3.25Å; R920-E924 PolarHBondContact O-N 3.44Å; K921-E924 WeakPolarHBondContact CD-OE2 3.19Å; K921-E924 WeakPolarHBondContact CE-OE2 3.49Å; K921-E924 IonicContact NZ-OE2 3.91Å; K921-E924 PolarHBondContact NZ-OE2 3.12Å; K921-E924 PolarHBondContact O-N 3.07Å; E924-Y928 VanDerWaalsContact O-CB 3.28Å; E924-Y928 WeakPolarHBondContact O-CB 3.43Å; E924-Y928 PolarHBondContact O-N 3.18Å; E924-Y928 VanDerWaalsContact O-N 3.16Å; E924-M1074 HydrophobicContact CB-CE 4.3Å
925	Q	89.4	Confident	87.2	Confident	10 Å²	10	58.9 Å²	58.9	5%	0.047	28%	0.276	C	S	.	.	H	α-helix	trans	-65.3	-44.5	175.4	-174.9	76.4	53.9	0	0	112.3	K921 I922 S923 D927 Y928 A1040 F1041 L1071 P1072 M1074	K921-Q925 PolarHBondContact O-N 3.45Å; I922-Q925 WeakPolarHBondContact O-CB 3.3Å; I922-Q925 PolarHBondContact O-N 3.16Å; S923-Q925 VanDerWaalsContact C-N 3.27Å; S923-Q925 PolarHBondContact O-N 2.79Å; Q925-D927 PolarHBondContact O-N 3.49Å; Q925-Y928 PolarHBondContact O-N 3.24Å; Q925-A1040 VanDerWaalsContact OE1-CA 3.29Å; Q925-F1041 HydrophobicContact CB-CB 4.32Å; Q925-F1041 WeakPolarHBondContact CG-O 3.24Å; Q925-L1071 HydrophobicContact CG-CD2 4.29Å; Q925-P1072 PolarHBondContact NE2-O 2.96Å; Q925-M1074 HydrophobicContact CB-SD 4.39Å
926	R	86.4	Confident	87.4	Confident	127 Å²	127	56.9 Å²	56.9	48%	0.479	27%	0.267	S	S	.	.	H	α-helix	trans	-60.9	-34.6	179.6	-73.2	-173.7	-174.5	155.4	9	112.2	I922 S923 E1045 D1046	I922-R926 PolarHBondContact O-N 3.04Å; S923-R926 PolarHBondContact O-N 2.86Å; R926-E1045 IonicContact CZ-OE1 3.85Å; R926-E1045 IonicContact NH1-OE1 3.54Å; R926-E1045 IonicContact NH2-OE1 3.46Å; R926-E1045 PolarHBondContact NH2-OE1 3.32Å; R926-D1046 IonicContact CZ-OD1 2.81Å; R926-D1046 IonicContact CZ-OD2 3.59Å; R926-D1046 IonicContact NE-OD2 2.73Å; R926-D1046 PolarHBondContact NE-OD2 3.23Å; R926-D1046 IonicContact NH2-OD1 3.67Å; R926-D1046 PolarHBondContact NH2-OD1 2.47Å; R926-D1046 IonicContact NH2-OD2 3.41Å; R926-D1046 PolarHBondContact NH2-OD2 3.36Å
927	D	87.2	Confident	87.7	Confident	135 Å²	135	52.9 Å²	52.9	72%	0.722	25%	0.25	S	S	*	.	H	α-helix	trans	-87.1	-11.2	-179.4	-65.6	-26.8	0	0	0	113.4	S923 Q925 Q929	S923-D927 PolarHBondContact O-N 3.5Å; S923-D927 VanDerWaalsContact O-N 3.15Å; Q925-D927 PolarHBondContact O-N 3.49Å; D927-Q929 PolarHBondContact O-N 3.25Å
928	Y	86.2	Confident	87.9	Confident	69 Å²	69	52.6 Å²	52.6	27%	0.271	25%	0.249	S	C	.	.			trans	-86.5	113.4	-174.1	-170.1	-114	0	0	0	112.4	E924 Q925 G930 P1072 M1074	E924-Y928 VanDerWaalsContact O-CB 3.28Å; E924-Y928 WeakPolarHBondContact O-CB 3.43Å; E924-Y928 PolarHBondContact O-N 3.18Å; E924-Y928 VanDerWaalsContact O-N 3.16Å; Q925-Y928 PolarHBondContact O-N 3.24Å; Y928-G930 WeakPolarHBondContact CE1-O 3.36Å; Y928-G930 VanDerWaalsContact CZ-O 3.28Å; Y928-G930 PolarHBondContact OH-O 2.78Å; Y928-P1072 HydrophobicContact CD1-CB 3.93Å; Y928-P1072 HydrophobicContact CE1-CB 4.1Å; Y928-M1074 HydrophobicContact CD1-CE 4.5Å; Y928-M1074 HydrophobicContact CD1-CG 3.57Å; Y928-M1074 HydrophobicContact CD1-SD 4.04Å; Y928-M1074 HydrophobicContact CD2-CE 4.38Å; Y928-M1074 HydrophobicContact CE1-CG 3.76Å; Y928-M1074 HydrophobicContact CG-CE 4.19Å; Y928-M1074 HydrophobicContact CG-CG 4.18Å; Y928-M1074 HydrophobicContact CG-SD 4.12Å
929	Q	76.6	Confident	88	Confident	185 Å²	185	54.1 Å²	54.1	86%	0.864	26%	0.257	S	S	*	.			trans	-106.8	5	-179.3	-62.6	-172.6	-9.2	0	0	114.3	D927	D927-Q929 PolarHBondContact O-N 3.25Å
930	G	78.1	Confident	88.1	Confident	29 Å²	29	48.1 Å²	48.1	30%	0.299	23%	0.231	S	C	.	.			trans	-93.3	127.2	-176.6	0	0	0	0	0	113	Y928 K932 P1072	Y928-G930 WeakPolarHBondContact CE1-O 3.36Å; Y928-G930 VanDerWaalsContact CZ-O 3.28Å; Y928-G930 PolarHBondContact OH-O 2.78Å; G930-K932 VanDerWaalsContact C-N 3.35Å; G930-K932 PolarHBondContact O-N 3.39Å; G930-P1072 WeakPolarHBondContact O-CB 3.46Å
931	E	84.7	Confident	88.2	Confident	84 Å²	84	45 Å²	45	39%	0.393	22%	0.222	S	C	.	.			trans	-98	37.3	174.1	-61	-170.1	169.8	0	0	112.1	Y933 G934 A935 R1070 P1072	E931-Y933 PolarHBondContact O-N 2.81Å; E931-G934 PolarHBondContact O-N 3.41Å; E931-G934 VanDerWaalsContact O-N 3.15Å; E931-A935 HydrophobicContact CG-CB 4.22Å; E931-R1070 IonicContact OE1-CZ 3.27Å; E931-R1070 IonicContact OE1-NE 3.82Å; E931-R1070 PolarHBondContact OE1-NE 3.36Å; E931-R1070 IonicContact OE1-NH2 3.42Å; E931-R1070 PolarHBondContact OE1-NH2 3.49Å; E931-R1070 IonicContact OE2-CZ 2.62Å; E931-R1070 IonicContact OE2-NE 3.39Å; E931-R1070 IonicContact OE2-NH2 2.73Å; E931-R1070 PolarHBondContact OE2-NH2 3.18Å; E931-P1072 HydrophobicContact CG-CB 4.14Å; E931-P1072 HydrophobicContact CG-CG 4.2Å
932	K	84.6	Confident	88.3	Confident	111 Å²	111	44.1 Å²	44.1	48%	0.483	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-32.6	-175.4	179.6	-177.6	170.8	-164	0	113	G930	G930-K932 VanDerWaalsContact C-N 3.35Å; G930-K932 PolarHBondContact O-N 3.39Å
933	Y	87.8	Confident	88.1	Confident	4 Å²	4	47.7 Å²	47.7	2%	0.016	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	14.7	-175.9	-53.8	-68.3	0	0	0	111.9	E931 L960 L1073 H1075 Q1111 E1112	E931-Y933 PolarHBondContact O-N 2.81Å; Y933-L960 HydrophobicContact CD1-CD1 3.59Å; Y933-L960 HydrophobicContact CD1-CG 4.48Å; Y933-L960 HydrophobicContact CE1-CD1 4.4Å; Y933-L960 HydrophobicContact CG-CD1 4.46Å; Y933-L1073 WeakPolarHBondContact O-CD1 3.48Å; Y933-H1075 AromaticContact CD1-CD2 3.44Å; Y933-H1075 VanDerWaalsContact CD1-CD2 3.44Å; Y933-H1075 WeakPolarHBondContact CD1-CD2 3.3Å; Y933-H1075 AromaticContact CD1-NE2 3.73Å; Y933-H1075 HydrophobicContact CD2-CB 4.32Å; Y933-H1075 AromaticContact CD2-CD2 3.54Å; Y933-H1075 AromaticContact CE1-CD2 3.74Å; Y933-H1075 HydrophobicContact CE2-CB 3.91Å; Y933-H1075 AromaticContact CE2-CD2 3.87Å; Y933-H1075 AromaticContact CG-CD2 3.3Å; Y933-H1075 AromaticContact CG-NE2 3.9Å; Y933-H1075 AromaticContact CZ-CD2 3.93Å; Y933-Q1111 HydrophobicContact CE1-CB 4.48Å; Y933-E1112 WeakPolarHBondContact OH-CG 3.5Å
934	G	89.8	Confident	87.8	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.229	C	C	.	.			trans	87.4	-175.2	-171.9	0	0	0	0	0	113.5	E931 V957 S958 L1073	E931-G934 PolarHBondContact O-N 3.41Å; E931-G934 VanDerWaalsContact O-N 3.15Å; G934-V957 CarbonylContact C-O 3.52Å; G934-V957 WeakPolarHBondContact CA-O 3.34Å; G934-S958 WeakPolarHBondContact CA-O 3.37Å; G934-S958 PolarHBondContact N-O 3.18Å; G934-L1073 PolarHBondContact O-N 3.24Å
935	A	91.6	Very high	87.5	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	147.6	178.3	0	0	0	0	0	110.9	E931 A956 V957 R1070 L1071	E931-A935 HydrophobicContact CG-CB 4.22Å; A935-A956 CarbonylContact O-C 3.51Å; A935-A956 VanDerWaalsContact O-CA 3.27Å; A935-A956 WeakPolarHBondContact O-CA 3.37Å; A935-V957 PolarHBondContact N-O 3.27Å; A935-V957 PolarHBondContact O-N 3.31Å; A935-R1070 HydrophobicContact CB-CG 4.24Å; A935-L1071 WeakPolarHBondContact CA-O 3.41Å
936	V	93	Very high	87.2	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	135.8	173.8	65.5	0	0	0	0	109.6	L938 V953 V972 I1023 A1040 L1071 L1073	V936-L938 HydrophobicContact CG2-CD2 3.87Å; V936-L938 HydrophobicContact CG2-CG 4.39Å; V936-V953 HydrophobicContact CG2-CG1 4.34Å; V936-V972 HydrophobicContact CG2-CG2 4.38Å; V936-I1023 HydrophobicContact CG1-CG2 3.92Å; V936-I1023 HydrophobicContact CG2-CG2 4.36Å; V936-A1040 HydrophobicContact CG1-CB 4.46Å; V936-L1071 HydrophobicContact CG1-CB 4.15Å; V936-L1071 PolarHBondContact N-O 2.99Å; V936-L1071 PolarHBondContact O-N 2.93Å; V936-L1073 HydrophobicContact CB-CD2 4.45Å; V936-L1073 HydrophobicContact CG1-CD2 4.13Å
937	T	93.6	Very high	87.3	Confident	5 Å²	5	53.7 Å²	53.7	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.4	176.3	-38.4	0	0	0	0	109.7	L954 N955 Q1068 I1069 R1070	T937-L954 HydrophobicContact CG2-CD1 4.39Å; T937-L954 PolarHBondContact O-N 2.89Å; T937-N955 WeakPolarHBondContact CB-OD1 3.26Å; T937-N955 PolarHBondContact N-O 2.92Å; T937-N955 PolarHBondContact O-N 3.4Å; T937-N955 PolarHBondContact OG1-OD1 3.31Å; T937-Q1068 HydrophobicContact CG2-CG 3.64Å; T937-I1069 WeakPolarHBondContact CA-O 3.5Å; T937-R1070 HydrophobicContact CG2-CB 4.33Å; T937-R1070 PolarHBondContact OG1-NH1 2.98Å
938	L	93.7	Very high	87.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	154.5	-174.4	-49.9	165.4	0	0	0	109.3	V936 E952 V953 I1023 Q1068 I1069 L1071	V936-L938 HydrophobicContact CG2-CD2 3.87Å; V936-L938 HydrophobicContact CG2-CG 4.39Å; L938-E952 CarbonylContact C-O 3.53Å; L938-E952 WeakPolarHBondContact CA-O 3.22Å; L938-V953 HydrophobicContact CD2-CB 4.14Å; L938-V953 HydrophobicContact CD2-CG1 4.03Å; L938-V953 HydrophobicContact CD2-CG2 3.83Å; L938-I1023 HydrophobicContact CD1-CD1 3.83Å; L938-I1023 HydrophobicContact CD1-CG1 3.82Å; L938-Q1068 CarbonylContact O-C 3.44Å; L938-Q1068 WeakPolarHBondContact O-CA 3.49Å; L938-I1069 PolarHBondContact N-O 3.38Å; L938-I1069 PolarHBondContact O-N 3.21Å; L938-L1071 HydrophobicContact CD1-CD1 3.94Å
939	L	92.8	Very high	87.6	Confident	32 Å²	32	47.6 Å²	47.6	17%	0.168	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.3	161.3	-145	74.8	0	0	0	107.8	I951 E952 L954 P1066 E1067 Q1068	L939-I951 CarbonylContact O-C 3.53Å; L939-I951 WeakPolarHBondContact O-CA 3.16Å; L939-E952 HydrophobicContact CB-CB 3.8Å; L939-E952 WeakPolarHBondContact CD2-OE2 3.41Å; L939-E952 PolarHBondContact N-O 3Å; L939-E952 PolarHBondContact O-N 2.8Å; L939-L954 HydrophobicContact CD1-CD1 4.42Å; L939-P1066 HydrophobicContact CD2-CB 3.55Å; L939-P1066 HydrophobicContact CD2-CG 3.34Å; L939-P1066 HydrophobicContact CG-CB 3.63Å; L939-P1066 HydrophobicContact CG-CG 3.95Å; L939-E1067 CarbonylContact C-O 3.53Å; L939-E1067 VanDerWaalsContact CA-O 3.3Å; L939-E1067 WeakPolarHBondContact CA-O 3.44Å; L939-Q1068 HydrophobicContact CD1-CB 3.86Å; L939-Q1068 HydrophobicContact CD1-CG 4.49Å
940	A	91.8	Very high	88.3	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.2	-178.5	0	0	0	0	0	111.4	H950 I951 L1042 V1047 E1067 I1069	A940-H950 WeakPolarHBondContact CA-O 3.39Å; A940-I951 HydrophobicContact CB-CD1 3.65Å; A940-L1042 HydrophobicContact CB-CD2 4.3Å; A940-V1047 HydrophobicContact CB-CG1 4.08Å; A940-V1047 HydrophobicContact CB-CG2 4.46Å; A940-E1067 PolarHBondContact N-O 2.75Å; A940-E1067 PolarHBondContact O-N 3.33Å; A940-I1069 HydrophobicContact CB-CD1 3.94Å
941	S	90.5	Very high	89.1	Confident	16 Å²	16	40 Å²	40	11%	0.112	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	153.7	170.4	54	0	0	0	0	110.9	H950	S941-H950 PolarHBondContact N-O 2.8Å; S941-H950 PolarHBondContact O-N 3.41Å
942	Y	89.4	Confident	89.5	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	117.7	171.9	-175.3	-102.7	0	0	0	111.1	R944 Q947 R948 L949 V1009 L1011 P1048 G1049 V1050	Y942-R944 HydrophobicContact CD1-CG 3.92Å; Y942-R944 HydrophobicContact CE1-CG 3.9Å; Y942-Q947 WeakPolarHBondContact OH-CA 3.37Å; Y942-R948 WeakPolarHBondContact CD2-O 3.49Å; Y942-L949 HydrophobicContact CD2-CB 4.02Å; Y942-L949 HydrophobicContact CD2-CD1 4.44Å; Y942-V1009 HydrophobicContact CE2-CG2 3.91Å; Y942-V1009 WeakPolarHBondContact CE2-O 3.48Å; Y942-V1009 PolarHBondContact OH-O 3.21Å; Y942-L1011 HydrophobicContact CD1-CD1 4.47Å; Y942-L1011 HydrophobicContact CE1-CD1 3.99Å; Y942-L1011 PolarHBondContact OH-N 3.09Å; Y942-P1048 PolarHBondContact N-O 2.85Å; Y942-G1049 WeakPolarHBondContact CD1-O 3.43Å; Y942-V1050 VanDerWaalsContact CB-CG2 3.47Å; Y942-V1050 HydrophobicContact CD1-CG2 3.97Å; Y942-V1050 HydrophobicContact CD2-CG2 4.26Å; Y942-V1050 HydrophobicContact CG-CG2 3.64Å
943	R	87.2	Confident	89.9	Confident	85 Å²	85	33.3 Å²	33.3	32%	0.321	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	108.3	173.7	-177.9	-179.5	-66.6	150.3	6.2	109.7	S945 D946 Q947 R948 D1063	R943-S945 WeakPolarHBondContact CD-OG 3.47Å; R943-S945 VanDerWaalsContact CG-OG 3.27Å; R943-S945 WeakPolarHBondContact CG-OG 3.36Å; R943-D946 IonicContact NH1-OD2 3.76Å; R943-Q947 PolarHBondContact O-N 3.01Å; R943-Q947 VanDerWaalsContact O-N 3.16Å; R943-R948 PolarHBondContact N-O 3.31Å; R943-R948 PolarHBondContact O-N 2.79Å; R943-D1063 WeakPolarHBondContact CG-OD1 3.21Å; R943-D1063 IonicContact CZ-OD1 3.85Å; R943-D1063 IonicContact CZ-OD2 2.69Å; R943-D1063 VanDerWaalsContact NE-CG 3.25Å; R943-D1063 IonicContact NE-OD1 2.78Å; R943-D1063 PolarHBondContact NE-OD1 3.42Å; R943-D1063 IonicContact NE-OD2 3.84Å; R943-D1063 PolarHBondContact NE-OD2 2.95Å; R943-D1063 IonicContact NH2-OD2 3.57Å; R943-D1063 PolarHBondContact NH2-OD2 2.95Å
944	R	81.6	Confident	90.2	Very high	92 Å²	92	34.6 Å²	34.6	35%	0.347	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-35.4	178.4	-67.9	-168.4	175.3	106.7	-1.9	113.9	Y942 D946 Q947 G1049 V1050 E1052	Y942-R944 HydrophobicContact CD1-CG 3.92Å; Y942-R944 HydrophobicContact CE1-CG 3.9Å; R944-D946 PolarHBondContact O-N 3.25Å; R944-Q947 PolarHBondContact O-N 3.06Å; R944-G1049 PolarHBondContact NE-O 3.49Å; R944-G1049 PolarHBondContact NH1-O 3.44Å; R944-G1049 PolarHBondContact NH2-O 3.05Å; R944-V1050 PolarHBondContact NH2-O 2.87Å; R944-E1052 IonicContact CZ-OE2 3.45Å; R944-E1052 IonicContact NH1-OE2 3.78Å; R944-E1052 PolarHBondContact NH1-OE2 3.17Å; R944-E1052 VanDerWaalsContact NH2-N 3.13Å; R944-E1052 PolarHBondContact NH2-O 3.08Å
945	S	81.4	Confident	90.3	Very high	92 Å²	92	36.3 Å²	36.3	64%	0.643	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-34.9	-175.6	66.5	0	0	0	0	112.9	R943	R943-S945 WeakPolarHBondContact CD-OG 3.47Å; R943-S945 VanDerWaalsContact CG-OG 3.27Å; R943-S945 WeakPolarHBondContact CG-OG 3.36Å
946	D	83.7	Confident	90.3	Very high	80 Å²	80	36.3 Å²	36.3	43%	0.428	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	8.4	-173.1	-52.9	2.3	0	0	0	111.7	R943 R944 R948	R943-D946 IonicContact NH1-OD2 3.76Å; R944-D946 PolarHBondContact O-N 3.25Å; D946-R948 HydrophobicContact CB-CB 4.4Å; D946-R948 PolarHBondContact O-N 3.47Å
947	Q	88.3	Confident	90.2	Very high	105 Å²	105	37.9 Å²	37.9	49%	0.491	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	54.2	-175.6	-64.2	-177.1	39.5	0	0	113	Y942 R943 R944 V1009	Y942-Q947 WeakPolarHBondContact OH-CA 3.37Å; R943-Q947 PolarHBondContact O-N 3.01Å; R943-Q947 VanDerWaalsContact O-N 3.16Å; R944-Q947 PolarHBondContact O-N 3.06Å; Q947-V1009 CarbonylContact C-O 3.53Å; Q947-V1009 PolarHBondContact O-N 2.79Å; Q947-V1009 VanDerWaalsContact O-O 3.05Å
948	R	89	Confident	89.9	Confident	75 Å²	75	40.9 Å²	40.9	28%	0.283	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	121.8	-168.5	-173.7	-174.6	-70.8	-159	-0.1	111.7	Y942 R943 D946 D1006 F1007	Y942-R948 WeakPolarHBondContact CD2-O 3.49Å; R943-R948 PolarHBondContact N-O 3.31Å; R943-R948 PolarHBondContact O-N 2.79Å; D946-R948 HydrophobicContact CB-CB 4.4Å; D946-R948 PolarHBondContact O-N 3.47Å; R948-D1006 VanDerWaalsContact CD-CG 3.5Å; R948-D1006 WeakPolarHBondContact CD-OD2 3.38Å; R948-D1006 HydrophobicContact CG-CB 4.02Å; R948-D1006 IonicContact CZ-OD2 3.44Å; R948-D1006 IonicContact NE-OD2 3.27Å; R948-D1006 IonicContact NH1-OD2 2.83Å; R948-D1006 PolarHBondContact NH1-OD2 3.4Å; R948-F1007 CarbonylContact C-O 3.19Å; R948-F1007 WeakPolarHBondContact CA-O 3.31Å
949	L	90.5	Very high	89.7	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	115.9	168.9	178	70.4	0	0	0	109	Y942 I951 L976 F1007 V1009 L1044 V1047	Y942-L949 HydrophobicContact CD2-CB 4.02Å; Y942-L949 HydrophobicContact CD2-CD1 4.44Å; L949-I951 HydrophobicContact CD1-CD1 4.07Å; L949-I951 HydrophobicContact CD2-CD1 4.3Å; L949-I951 HydrophobicContact CD2-CG1 4.3Å; L949-I951 HydrophobicContact CG-CD1 4.03Å; L949-I951 HydrophobicContact CG-CG1 4.09Å; L949-L976 HydrophobicContact CD2-CD2 3.92Å; L949-F1007 HydrophobicContact CB-CB 4.27Å; L949-F1007 HydrophobicContact CD2-CD2 4.36Å; L949-F1007 PolarHBondContact N-O 2.73Å; L949-F1007 PolarHBondContact O-N 2.85Å; L949-V1009 HydrophobicContact CB-CG2 3.72Å; L949-L1044 HydrophobicContact CD2-CD2 3.81Å; L949-V1047 HydrophobicContact CD1-CB 4.39Å; L949-V1047 HydrophobicContact CD1-CG1 3.79Å; L949-V1047 HydrophobicContact CD1-CG2 4.27Å
950	H	91.9	Very high	89.3	Confident	53 Å²	53	41.2 Å²	41.2	25%	0.245	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.5	177.3	-175.6	75.1	0	0	0	109.8	A940 S941 D1006	A940-H950 WeakPolarHBondContact CA-O 3.39Å; S941-H950 PolarHBondContact N-O 2.8Å; S941-H950 PolarHBondContact O-N 3.41Å; H950-D1006 IonicContact CE1-OD1 2.96Å; H950-D1006 IonicContact CG-OD1 2.86Å; H950-D1006 IonicContact ND1-OD1 3.91Å; H950-D1006 PolarHBondContact ND1-OD1 2.88Å
951	I	93.5	Very high	89	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	119.3	178.6	-55.4	-65	0	0	0	109.1	L939 A940 L949 L974 A1004 F1005 F1007 L1021	L939-I951 CarbonylContact O-C 3.53Å; L939-I951 WeakPolarHBondContact O-CA 3.16Å; A940-I951 HydrophobicContact CB-CD1 3.65Å; L949-I951 HydrophobicContact CD1-CD1 4.07Å; L949-I951 HydrophobicContact CD2-CD1 4.3Å; L949-I951 HydrophobicContact CD2-CG1 4.3Å; L949-I951 HydrophobicContact CG-CD1 4.03Å; L949-I951 HydrophobicContact CG-CG1 4.09Å; I951-L974 HydrophobicContact CB-CD1 4.21Å; I951-L974 HydrophobicContact CG2-CD1 3.73Å; I951-L974 HydrophobicContact CG2-CD2 4.49Å; I951-A1004 CarbonylContact O-C 3.51Å; I951-F1005 PolarHBondContact N-O 3.27Å; I951-F1005 PolarHBondContact O-N 2.88Å; I951-F1007 HydrophobicContact CB-CE2 4.44Å; I951-F1007 HydrophobicContact CG1-CD2 4.31Å; I951-F1007 HydrophobicContact CG1-CE2 4.1Å; I951-L1021 HydrophobicContact CD1-CD2 3.68Å; I951-L1021 HydrophobicContact CG1-CD2 3.78Å; I951-L1021 HydrophobicContact CG2-CD2 4.12Å
952	E	93.9	Very high	88.7	Confident	55 Å²	55	45.7 Å²	45.7	26%	0.257	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	121.2	171.1	-166.9	176.1	-171.7	0	0	109.5	L938 L939 L954 E1003 A1004	L938-E952 CarbonylContact C-O 3.53Å; L938-E952 WeakPolarHBondContact CA-O 3.22Å; L939-E952 HydrophobicContact CB-CB 3.8Å; L939-E952 WeakPolarHBondContact CD2-OE2 3.41Å; L939-E952 PolarHBondContact N-O 3Å; L939-E952 PolarHBondContact O-N 2.8Å; E952-L954 HydrophobicContact CG-CD2 3.96Å; E952-L954 PolarHBondContact O-N 2.88Å; E952-E1003 WeakPolarHBondContact CA-O 3.25Å; E952-A1004 HydrophobicContact CB-CB 4.36Å; E952-A1004 HydrophobicContact CG-CB 4.17Å
953	V	93.8	Very high	88.3	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	107.8	174.4	-174.4	0	0	0	0	107.5	V936 L938 V972 L974 T990 F1001 D1002 E1003 F1005	V936-V953 HydrophobicContact CG2-CG1 4.34Å; L938-V953 HydrophobicContact CD2-CB 4.14Å; L938-V953 HydrophobicContact CD2-CG1 4.03Å; L938-V953 HydrophobicContact CD2-CG2 3.83Å; V953-V972 HydrophobicContact CG1-CB 4.08Å; V953-V972 HydrophobicContact CG1-CG1 4.28Å; V953-V972 HydrophobicContact CG1-CG2 3.85Å; V953-V972 HydrophobicContact CG2-CG1 4.37Å; V953-L974 HydrophobicContact CG2-CD1 3.89Å; V953-L974 HydrophobicContact CG2-CD2 4.26Å; V953-L974 HydrophobicContact CG2-CG 4.33Å; V953-T990 HydrophobicContact CB-CG2 4Å; V953-T990 HydrophobicContact CG1-CG2 4.18Å; V953-T990 HydrophobicContact CG2-CG2 4.03Å; V953-F1001 HydrophobicContact CB-CB 4.39Å; V953-F1001 HydrophobicContact CG1-CB 4.1Å; V953-F1001 HydrophobicContact CG1-CD2 3.78Å; V953-F1001 HydrophobicContact CG1-CG 4.15Å; V953-F1001 WeakPolarHBondContact O-CB 3.4Å; V953-D1002 WeakPolarHBondContact O-CA 3.26Å; V953-D1002 PolarHBondContact O-N 3.11Å; V953-E1003 PolarHBondContact N-O 2.82Å; V953-E1003 PolarHBondContact O-N 3.37Å; V953-E1003 VanDerWaalsContact O-N 3.16Å; V953-F1005 HydrophobicContact CG2-CD2 4.3Å; V953-F1005 HydrophobicContact CG2-CE2 4.02Å
954	L	93.3	Very high	87.8	Confident	31 Å²	31	50.1 Å²	50.1	16%	0.162	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-64.9	-177.1	-58.7	176.5	0	0	0	109.9	T937 L939 E952 F1001 D1002 Q1068	T937-L954 HydrophobicContact CG2-CD1 4.39Å; T937-L954 PolarHBondContact O-N 2.89Å; L939-L954 HydrophobicContact CD1-CD1 4.42Å; E952-L954 HydrophobicContact CG-CD2 3.96Å; E952-L954 PolarHBondContact O-N 2.88Å; L954-F1001 PolarHBondContact O-N 3.42Å; L954-D1002 PolarHBondContact O-N 2.96Å; L954-Q1068 HydrophobicContact CD1-CG 4.13Å
955	N	92.6	Very high	87.6	Confident	37 Å²	37	50 Å²	50	20%	0.198	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	165.3	-176.9	71	-10.7	0	0	0	113.4	T937 P999 L1000	T937-N955 WeakPolarHBondContact CB-OD1 3.26Å; T937-N955 PolarHBondContact N-O 2.92Å; T937-N955 PolarHBondContact O-N 3.4Å; T937-N955 PolarHBondContact OG1-OD1 3.31Å; N955-P999 VanDerWaalsContact CA-O 3.22Å; N955-P999 WeakPolarHBondContact CA-O 3.44Å; N955-P999 WeakPolarHBondContact CB-O 3.43Å; N955-L1000 HydrophobicContact CB-CD2 3.53Å
956	A	91.4	Very high	87.4	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	151.3	160	0	0	0	0	0	109.7	A935 L959 N998 P999 F1001	A935-A956 CarbonylContact O-C 3.51Å; A935-A956 VanDerWaalsContact O-CA 3.27Å; A935-A956 WeakPolarHBondContact O-CA 3.37Å; A956-L959 HydrophobicContact CB-CD1 3.83Å; A956-L959 HydrophobicContact CB-CD2 4.04Å; A956-L959 HydrophobicContact CB-CG 4.08Å; A956-N998 CarbonylContact O-C 3.59Å; A956-N998 WeakPolarHBondContact O-CA 3.46Å; A956-P999 HydrophobicContact CB-CG 3.93Å; A956-P999 PolarHBondContact N-O 3.31Å; A956-P999 WeakPolarHBondContact O-CD 3.47Å; A956-F1001 HydrophobicContact CB-CE2 4.16Å
957	V	90.1	Very high	87.5	Confident	32 Å²	32	46.8 Å²	46.8	19%	0.194	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	140.6	-172.6	178.6	0	0	0	0	109.8	G934 A935 L959 N998	G934-V957 CarbonylContact C-O 3.52Å; G934-V957 WeakPolarHBondContact CA-O 3.34Å; A935-V957 PolarHBondContact N-O 3.27Å; A935-V957 PolarHBondContact O-N 3.31Å; V957-L959 VanDerWaalsContact C-N 3.32Å; V957-L959 PolarHBondContact O-N 3.45Å; V957-N998 WeakPolarHBondContact CA-OD1 3.22Å; V957-N998 WeakPolarHBondContact CG1-OD1 3.48Å
958	S	88.4	Confident	87.4	Confident	68 Å²	68	41.8 Å²	41.8	48%	0.476	24%	0.243	S	C	.	.	S	Bend	trans	57.2	42.9	176.2	-59.2	0	0	0	0	113.3	G934 L997 N998	G934-S958 WeakPolarHBondContact CA-O 3.37Å; G934-S958 PolarHBondContact N-O 3.18Å; S958-L997 PolarHBondContact N-O 3.15Å; S958-N998 PolarHBondContact N-OD1 2.94Å
959	L	88.9	Confident	87.3	Confident	8 Å²	8	39.4 Å²	39.4	4%	0.042	24%	0.237	C	C	.	.			trans	-66.7	158	173.2	-63.6	177.8	0	0	0	111.2	A956 V957 P970 L997 P999 V1025 E1037 L1073	A956-L959 HydrophobicContact CB-CD1 3.83Å; A956-L959 HydrophobicContact CB-CD2 4.04Å; A956-L959 HydrophobicContact CB-CG 4.08Å; V957-L959 VanDerWaalsContact C-N 3.32Å; V957-L959 PolarHBondContact O-N 3.45Å; L959-P970 HydrophobicContact CD1-CB 3.54Å; L959-P970 HydrophobicContact CD1-CG 3.7Å; L959-L997 HydrophobicContact CB-CD2 4.43Å; L959-L997 PolarHBondContact N-O 2.98Å; L959-P999 HydrophobicContact CD1-CG 3.77Å; L959-V1025 HydrophobicContact CD1-CG1 4.15Å; L959-V1025 HydrophobicContact CD2-CG1 4.03Å; L959-E1037 WeakPolarHBondContact CB-OE2 3.38Å; L959-E1037 WeakPolarHBondContact CD1-OE2 3.42Å; L959-L1073 HydrophobicContact CD2-CD1 3.52Å
960	L	84.3	Confident	87.3	Confident	31 Å²	31	39.4 Å²	39.4	16%	0.162	24%	0.236	C	C	.	.			trans	-81.6	136.7	-178.7	-66.1	163.7	0	0	0	110	Y933 M962 S968 Q1111	Y933-L960 HydrophobicContact CD1-CD1 3.59Å; Y933-L960 HydrophobicContact CD1-CG 4.48Å; Y933-L960 HydrophobicContact CE1-CD1 4.4Å; Y933-L960 HydrophobicContact CG-CD1 4.46Å; L960-M962 HydrophobicContact CB-CE 3.96Å; L960-M962 HydrophobicContact CB-SD 4.42Å; L960-M962 HydrophobicContact CD1-CE 4.03Å; L960-M962 PolarHBondContact O-N 3.47Å; L960-M962 VanDerWaalsContact O-N 3.15Å; L960-S968 PolarHBondContact O-OG 3.38Å; L960-Q1111 HydrophobicContact CD1-CG 4.38Å; L960-Q1111 VanDerWaalsContact CD1-OE1 3.3Å
961	P	85.1	Confident	87.4	Confident	70 Å²	70	37.8 Å²	37.8	46%	0.455	23%	0.229	S	C	.	.			trans	-72.2	108.2	173.7	29.8	-33.2	0	0	0	110.2	G966 L997	P961-G966 VanDerWaalsContact CB-O 3.31Å; P961-G966 WeakPolarHBondContact CB-O 3.22Å; P961-L997 HydrophobicContact CB-CD1 4.36Å; P961-L997 HydrophobicContact CB-CD2 4.32Å
962	M	84.3	Confident	87.4	Confident	41 Å²	41	37.8 Å²	37.8	20%	0.202	23%	0.229	C	C	.	.			trans	-92.3	-31.4	-179.4	-66.4	-55.7	-171.1	0	0	112.2	L960 L967 S968 D1027 D1035 F1036 E1037 Q1111	L960-M962 HydrophobicContact CB-CE 3.96Å; L960-M962 HydrophobicContact CB-SD 4.42Å; L960-M962 HydrophobicContact CD1-CE 4.03Å; L960-M962 PolarHBondContact O-N 3.47Å; L960-M962 VanDerWaalsContact O-N 3.15Å; M962-L967 PolarHBondContact N-O 2.94Å; M962-S968 PolarHBondContact N-OG 3.48Å; M962-D1027 HydrophobicContact CB-CB 4.09Å; M962-D1027 VanDerWaalsContact CB-OD2 3.24Å; M962-D1027 WeakPolarHBondContact CB-OD2 3.07Å; M962-D1027 HydrophobicContact CG-CB 4.2Å; M962-D1035 HydrophobicContact CB-CB 4.43Å; M962-D1035 HydrophobicContact CG-CB 4.44Å; M962-F1036 VanDerWaalsContact CE-O 3.24Å; M962-F1036 WeakPolarHBondContact CE-O 3.19Å; M962-E1037 HydrophobicContact CE-CB 4.06Å; M962-E1037 HydrophobicContact CE-CG 3.76Å; M962-E1037 HydrophobicContact CG-CG 3.91Å; M962-Q1111 VanDerWaalsContact CE-NE2 3.3Å; M962-Q1111 PolarHBondContact SD-NE2 2.87Å; M962-Q1111 VanDerWaalsContact SD-NE2 3.41Å
963	D	82.1	Confident	87.4	Confident	43 Å²	43	37.7 Å²	37.7	23%	0.23	23%	0.226	C	C	.	.	S	Bend	trans	-78.2	156.6	-179.8	-87.5	-37.6	0	0	0	113.6	N965 G966 L967	D963-N965 WeakPolarHBondContact CB-OD1 3.32Å; D963-N965 PolarHBondContact O-N 3.44Å; D963-G966 PolarHBondContact O-N 3.23Å; D963-L967 WeakPolarHBondContact CB-O 3.46Å; D963-L967 PolarHBondContact N-O 3.08Å; D963-L967 VanDerWaalsContact N-O 3.08Å
964	S	76.6	Confident	87.4	Confident	139 Å²	139	37.7 Å²	37.7	97%	0.972	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-13.9	175	-57.2	0	0	0	0	114	G966	S964-G966 VanDerWaalsContact C-N 3.34Å
965	N	77.1	Confident	87.4	Confident	88 Å²	88	36.9 Å²	36.9	47%	0.471	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-6.7	177.6	63.3	13.8	0	0	0	113.1	D963 L967	D963-N965 WeakPolarHBondContact CB-OD1 3.32Å; D963-N965 PolarHBondContact O-N 3.44Å; N965-L967 WeakPolarHBondContact OD1-CA 3.46Å; N965-L967 WeakPolarHBondContact OD1-CB 3.48Å; N965-L967 PolarHBondContact OD1-N 3.47Å; N965-L967 PolarHBondContact OD1-O 3.02Å
966	G	77.9	Confident	87.5	Confident	41 Å²	41	35.5 Å²	35.5	42%	0.423	22%	0.215	S	C	.	.	S	Bend	trans	79.4	17.7	-176.1	0	0	0	0	0	114.7	P961 D963 S964	P961-G966 VanDerWaalsContact CB-O 3.31Å; P961-G966 WeakPolarHBondContact CB-O 3.22Å; D963-G966 PolarHBondContact O-N 3.23Å; S964-G966 VanDerWaalsContact C-N 3.34Å
967	L	84.9	Confident	87.5	Confident	64 Å²	64	35.7 Å²	35.7	34%	0.335	22%	0.216	S	C	.	.			trans	-128.2	-171.4	173.9	-61.5	170.5	0	0	0	108.8	M962 D963 N965 C995 L997	M962-L967 PolarHBondContact N-O 2.94Å; D963-L967 WeakPolarHBondContact CB-O 3.46Å; D963-L967 PolarHBondContact N-O 3.08Å; D963-L967 VanDerWaalsContact N-O 3.08Å; N965-L967 WeakPolarHBondContact OD1-CA 3.46Å; N965-L967 WeakPolarHBondContact OD1-CB 3.48Å; N965-L967 PolarHBondContact OD1-N 3.47Å; N965-L967 PolarHBondContact OD1-O 3.02Å; L967-C995 HydrophobicContact CB-CB 4.32Å; L967-C995 HydrophobicContact CD1-CB 3.7Å; L967-L997 HydrophobicContact CD2-CD1 4.25Å; L967-L997 HydrophobicContact CD2-CG 4.11Å
968	S	85.6	Confident	87.4	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	21%	0.207	C	C	.	.			trans	-144.2	161.5	171	-63	0	0	0	0	109.6	L960 M962 P970 C995 D996 E1037	L960-S968 PolarHBondContact O-OG 3.38Å; M962-S968 PolarHBondContact N-OG 3.48Å; S968-P970 WeakPolarHBondContact O-CD 3.27Å; S968-C995 CarbonylContact O-C 3.51Å; S968-C995 VanDerWaalsContact O-CA 3.25Å; S968-C995 WeakPolarHBondContact O-CA 3.48Å; S968-C995 PolarHBondContact O-N 2.93Å; S968-C995 VanDerWaalsContact O-N 3.11Å; S968-D996 PolarHBondContact O-N 2.73Å; S968-E1037 WeakPolarHBondContact CB-OE1 3.21Å; S968-E1037 PolarHBondContact OG-OE1 2.96Å
969	D	88.3	Confident	87.4	Confident	26 Å²	26	35.2 Å²	35.2	14%	0.139	21%	0.207	C	C	.	.			trans	-103.5	61.9	169.2	-70	-12.5	0	0	0	111.6	Y992 K993 S994 C995 D1027 H1028	D969-Y992 HydrophobicContact CB-CD2 4.22Å; D969-K993 CarbonylContact C-O 3.56Å; D969-K993 VanDerWaalsContact CA-O 3.24Å; D969-K993 WeakPolarHBondContact CA-O 3.46Å; D969-S994 WeakPolarHBondContact OD1-CA 3.48Å; D969-S994 WeakPolarHBondContact OD1-CB 3.03Å; D969-S994 PolarHBondContact OD1-OG 2.97Å; D969-C995 PolarHBondContact OD1-N 2.68Å; D969-D1027 VanDerWaalsContact CA-OD1 3.28Å; D969-D1027 WeakPolarHBondContact CA-OD1 3.48Å; D969-D1027 PolarHBondContact N-OD1 3.07Å; D969-H1028 HydrophobicContact CB-CB 4.34Å; D969-H1028 PolarHBondContact O-N 3.42Å
970	P	90.1	Very high	87.2	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	146.2	-167.4	29.8	-40	0	0	0	114.6	L959 S968 Y992 K993 D996 P999 F1001 V1025 L1026	L959-P970 HydrophobicContact CD1-CB 3.54Å; L959-P970 HydrophobicContact CD1-CG 3.7Å; S968-P970 WeakPolarHBondContact O-CD 3.27Å; P970-Y992 WeakPolarHBondContact O-CA 3.45Å; P970-K993 VanDerWaalsContact CD-O 3.27Å; P970-K993 WeakPolarHBondContact CD-O 3.16Å; P970-K993 PolarHBondContact O-N 3.34Å; P970-D996 WeakPolarHBondContact CD-O 3.49Å; P970-D996 WeakPolarHBondContact CG-O 3.42Å; P970-P999 HydrophobicContact CB-CG 4.23Å; P970-P999 HydrophobicContact CG-CB 3.89Å; P970-P999 HydrophobicContact CG-CG 3.51Å; P970-F1001 HydrophobicContact CB-CZ 4.48Å; P970-F1001 WeakPolarHBondContact O-CE1 3.33Å; P970-V1025 HydrophobicContact CB-CG1 4.3Å; P970-L1026 CarbonylContact C-O 3.44Å; P970-L1026 VanDerWaalsContact CA-O 3.29Å; P970-L1026 WeakPolarHBondContact CA-O 3.43Å
971	F	92.8	Very high	87.4	Confident	20 Å²	20	36.3 Å²	36.3	9%	0.088	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	154.2	165.1	72.5	-81.5	0	0	0	111.6	C989 L1026 H1028 D1034	F971-C989 HydrophobicContact CD2-CB 4.19Å; F971-C989 HydrophobicContact CE2-CB 4.44Å; F971-L1026 HydrophobicContact CD1-CB 4.04Å; F971-L1026 VanDerWaalsContact CD1-O 3.3Å; F971-L1026 WeakPolarHBondContact CD1-O 3.41Å; F971-L1026 HydrophobicContact CE1-CB 3.46Å; F971-L1026 VanDerWaalsContact CE1-CB 3.46Å; F971-L1026 HydrophobicContact CE1-CD1 4.38Å; F971-L1026 HydrophobicContact CE2-CB 4.18Å; F971-L1026 HydrophobicContact CE2-CD1 3.85Å; F971-L1026 HydrophobicContact CZ-CB 3.55Å; F971-L1026 HydrophobicContact CZ-CD1 3.59Å; F971-L1026 HydrophobicContact CZ-CG 4.21Å; F971-L1026 PolarHBondContact N-O 2.67Å; F971-L1026 PolarHBondContact O-N 3.22Å; F971-H1028 HydrophobicContact CD1-CB 3.99Å; F971-H1028 HydrophobicContact CE1-CB 4.1Å; F971-D1034 HydrophobicContact CE1-CB 4.2Å; F971-D1034 HydrophobicContact CZ-CB 4.41Å; F971-D1034 WeakPolarHBondContact CZ-OD2 3.17Å
972	V	93.7	Very high	87.6	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.6	-178.3	-175.9	0	0	0	0	110	V936 V953 L974 C989 T990 F1001 I1023 V1025	V936-V972 HydrophobicContact CG2-CG2 4.38Å; V953-V972 HydrophobicContact CG1-CB 4.08Å; V953-V972 HydrophobicContact CG1-CG1 4.28Å; V953-V972 HydrophobicContact CG1-CG2 3.85Å; V953-V972 HydrophobicContact CG2-CG1 4.37Å; V972-L974 HydrophobicContact CG1-CD2 4.01Å; V972-C989 CarbonylContact O-C 3.57Å; V972-C989 VanDerWaalsContact O-CA 3.31Å; V972-C989 WeakPolarHBondContact O-CA 3.44Å; V972-T990 HydrophobicContact CB-CG2 4.04Å; V972-T990 PolarHBondContact N-OG1 2.66Å; V972-T990 PolarHBondContact O-N 2.95Å; V972-F1001 HydrophobicContact CG2-CD2 4.07Å; V972-F1001 HydrophobicContact CG2-CE2 3.57Å; V972-F1001 HydrophobicContact CG2-CZ 3.85Å; V972-I1023 HydrophobicContact CG1-CG2 3.4Å; V972-I1023 VanDerWaalsContact CG1-CG2 3.4Å; V972-V1025 HydrophobicContact CG2-CG2 4.23Å
973	R	93.9	Very high	87.5	Confident	53 Å²	53	35.1 Å²	35.1	20%	0.2	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	124.6	170.6	-175.8	179.3	66.8	-138.9	-20.6	111	P987 R988 T1024	R973-P987 HydrophobicContact CG-CB 4.15Å; R973-R988 CarbonylContact C-O 3.59Å; R973-R988 WeakPolarHBondContact CA-O 3.48Å; R973-T1024 PolarHBondContact N-O 3.24Å; R973-T1024 PolarHBondContact O-N 3.08Å
974	L	94.6	Very high	87.6	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	126	177.8	-59.5	-179.1	0	0	0	110.3	I951 V953 V972 P987 R988 F1005 F1007 L1021 I1023	I951-L974 HydrophobicContact CB-CD1 4.21Å; I951-L974 HydrophobicContact CG2-CD1 3.73Å; I951-L974 HydrophobicContact CG2-CD2 4.49Å; V953-L974 HydrophobicContact CG2-CD1 3.89Å; V953-L974 HydrophobicContact CG2-CD2 4.26Å; V953-L974 HydrophobicContact CG2-CG 4.33Å; V972-L974 HydrophobicContact CG1-CD2 4.01Å; L974-P987 CarbonylContact O-C 3.5Å; L974-P987 VanDerWaalsContact O-CA 3.26Å; L974-P987 WeakPolarHBondContact O-CA 3.39Å; L974-R988 HydrophobicContact CB-CB 4.47Å; L974-R988 PolarHBondContact N-O 2.86Å; L974-R988 PolarHBondContact O-N 3.24Å; L974-F1005 HydrophobicContact CD1-CB 4.31Å; L974-F1005 HydrophobicContact CD1-CD2 3.51Å; L974-F1005 HydrophobicContact CD1-CE2 4.11Å; L974-F1005 HydrophobicContact CD1-CG 4.09Å; L974-F1007 HydrophobicContact CB-CZ 3.93Å; L974-F1007 HydrophobicContact CD1-CE2 4.38Å; L974-F1007 HydrophobicContact CD1-CZ 4.4Å; L974-L1021 HydrophobicContact CB-CD1 4.18Å; L974-L1021 HydrophobicContact CD2-CD2 4.38Å; L974-I1023 HydrophobicContact CD2-CB 4.27Å; L974-I1023 HydrophobicContact CD2-CG1 3.7Å; L974-I1023 HydrophobicContact CD2-CG2 3.99Å
975	C	93.5	Very high	88.2	Confident	14 Å²	14	37.2 Å²	37.2	10%	0.095	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	127.3	-179.6	-170.3	0	0	0	0	110.6	P987 V1022	C975-P987 HydrophobicContact CB-CB 4.38Å; C975-V1022 PolarHBondContact N-O 2.86Å; C975-V1022 PolarHBondContact O-N 3.37Å
976	L	93.2	Very high	88.6	Confident	8 Å²	8	40.5 Å²	40.5	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	133	172.3	-65.8	180	0	0	0	110.6	L949 F982 I985 F1007 V1009 L1021 L1044	L949-L976 HydrophobicContact CD2-CD2 3.92Å; L976-F982 HydrophobicContact CB-CB 4.11Å; L976-F982 HydrophobicContact CB-CD1 4.28Å; L976-F982 HydrophobicContact CB-CD2 3.92Å; L976-F982 HydrophobicContact CB-CE2 4.44Å; L976-F982 HydrophobicContact CB-CG 3.84Å; L976-F982 HydrophobicContact CD1-CD1 4.14Å; L976-F982 HydrophobicContact CD1-CE1 4.36Å; L976-I985 HydrophobicContact CD1-CD1 3.81Å; L976-I985 HydrophobicContact CD1-CG2 4.18Å; L976-F1007 HydrophobicContact CD1-CB 4.04Å; L976-F1007 HydrophobicContact CD1-CD1 4.16Å; L976-F1007 HydrophobicContact CD1-CG 4.13Å; L976-F1007 HydrophobicContact CG-CD1 4.44Å; L976-V1009 HydrophobicContact CD1-CG1 3.52Å; L976-L1021 HydrophobicContact CD2-CB 4.08Å; L976-L1021 HydrophobicContact CD2-CD1 3.68Å; L976-L1021 HydrophobicContact CG-CD1 4.35Å; L976-L1044 HydrophobicContact CD2-CD1 4.01Å; L976-L1044 HydrophobicContact CD2-CD2 3.88Å
977	E	91.9	Very high	89.2	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.019	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	152.7	-179.3	-70.9	-80.4	-166.4	0	0	109.6	F918 N979 F982 A1019 C1020 V1022 K1102	F918-E977 HydrophobicContact CD1-CB 4.33Å; F918-E977 HydrophobicContact CD2-CB 4.44Å; F918-E977 HydrophobicContact CE1-CB 3.69Å; F918-E977 HydrophobicContact CE1-CG 4.03Å; F918-E977 HydrophobicContact CE2-CB 3.83Å; F918-E977 HydrophobicContact CE2-CG 4.41Å; F918-E977 HydrophobicContact CZ-CB 3.41Å; F918-E977 VanDerWaalsContact CZ-CB 3.41Å; F918-E977 HydrophobicContact CZ-CG 3.64Å; E977-N979 PolarHBondContact OE2-N 3.09Å; E977-F982 WeakPolarHBondContact O-CE2 3.06Å; E977-A1019 CarbonylContact O-C 3.32Å; E977-A1019 WeakPolarHBondContact O-CA 3.45Å; E977-C1020 PolarHBondContact N-O 2.93Å; E977-C1020 PolarHBondContact O-N 3.38Å; E977-C1020 VanDerWaalsContact O-O 3.11Å; E977-V1022 HydrophobicContact CB-CG2 3.93Å; E977-V1022 HydrophobicContact CG-CB 4.5Å; E977-V1022 HydrophobicContact CG-CG2 3.69Å; E977-K1102 IonicContact OE1-NZ 2.81Å; E977-K1102 PolarHBondContact OE1-NZ 3.45Å
978	P	89.4	Confident	89.5	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.221	C	C	.	.			cis	-80	146.5	3.4	32.7	-35.5	0	0	0	113.8	I914 E915 F918 H980 V981 F982	I914-P978 HydrophobicContact CG2-CB 3.68Å; E915-P978 HydrophobicContact CG-CG 4.28Å; F918-P978 HydrophobicContact CD2-CB 3.82Å; F918-P978 HydrophobicContact CE2-CB 3.79Å; P978-H980 VanDerWaalsContact CB-CE1 3.45Å; P978-H980 WeakPolarHBondContact CB-CE1 3.27Å; P978-H980 WeakPolarHBondContact CG-CE1 3.43Å; P978-H980 PolarHBondContact O-N 3.34Å; P978-H980 VanDerWaalsContact O-N 3.08Å; P978-V981 HydrophobicContact CG-CB 4.22Å; P978-V981 HydrophobicContact CG-CG2 3.71Å; P978-V981 WeakPolarHBondContact O-CB 3.31Å; P978-V981 PolarHBondContact O-N 2.87Å; P978-F982 PolarHBondContact O-N 2.66Å
979	N	86.8	Confident	89.8	Confident	90 Å²	90	47.6 Å²	47.6	48%	0.481	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-28	-177.1	-171.7	81	0	0	0	115.4	E977 V981 F982 P983	E977-N979 PolarHBondContact OE2-N 3.09Å; N979-V981 VanDerWaalsContact C-N 3.28Å; N979-V981 PolarHBondContact O-N 3.24Å; N979-F982 CarbonylContact O-C 3.48Å; N979-F982 VanDerWaalsContact O-C 3.32Å; N979-F982 PolarHBondContact O-N 3.2Å; N979-P983 WeakPolarHBondContact O-CA 3.4Å
980	H	85.8	Confident	90	Very high	44 Å²	44	46.8 Å²	46.8	20%	0.204	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-21.2	176.9	64.5	-86.8	0	0	0	113.4	H911 E915 P978 E1095	H911-H980 AromaticContact CD2-CG 3.62Å; H911-H980 AromaticContact CD2-ND1 3.85Å; H911-H980 AromaticContact CG-CD2 3.96Å; H911-H980 AromaticContact CG-CG 3.98Å; E915-H980 IonicContact OE1-CD2 3.22Å; E915-H980 IonicContact OE1-CE1 2.79Å; E915-H980 IonicContact OE1-NE2 2.92Å; E915-H980 PolarHBondContact OE1-NE2 3.4Å; P978-H980 VanDerWaalsContact CB-CE1 3.45Å; P978-H980 WeakPolarHBondContact CB-CE1 3.27Å; P978-H980 WeakPolarHBondContact CG-CE1 3.43Å; P978-H980 PolarHBondContact O-N 3.34Å; P978-H980 VanDerWaalsContact O-N 3.08Å; H980-E1095 WeakPolarHBondContact CB-OE1 3.38Å
981	V	86.9	Confident	89.9	Confident	18 Å²	18	53.5 Å²	53.5	11%	0.109	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-34.2	173.3	178.3	0	0	0	0	110.7	P978 N979 P983 Q1013 T1016	P978-V981 HydrophobicContact CG-CB 4.22Å; P978-V981 HydrophobicContact CG-CG2 3.71Å; P978-V981 WeakPolarHBondContact O-CB 3.31Å; P978-V981 PolarHBondContact O-N 2.87Å; N979-V981 VanDerWaalsContact C-N 3.28Å; N979-V981 PolarHBondContact O-N 3.24Å; V981-P983 VanDerWaalsContact O-CD 3.3Å; V981-P983 WeakPolarHBondContact O-CD 3.17Å; V981-Q1013 HydrophobicContact CG1-CB 3.9Å; V981-Q1013 HydrophobicContact CG1-CG 4.07Å; V981-Q1013 PolarHBondContact O-NE2 3.43Å; V981-T1016 HydrophobicContact CG1-CG2 4.48Å; V981-T1016 HydrophobicContact CG2-CG2 3.69Å
982	F	89.6	Confident	89.7	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.009	29%	0.287	C	S	.	.	S	Bend	trans	-119.1	53.5	-177.3	-52.9	-75	0	0	0	113.6	L976 E977 P978 N979 E984 I985 V1009 Q1013 A1019 L1044	L976-F982 HydrophobicContact CB-CB 4.11Å; L976-F982 HydrophobicContact CB-CD1 4.28Å; L976-F982 HydrophobicContact CB-CD2 3.92Å; L976-F982 HydrophobicContact CB-CE2 4.44Å; L976-F982 HydrophobicContact CB-CG 3.84Å; L976-F982 HydrophobicContact CD1-CD1 4.14Å; L976-F982 HydrophobicContact CD1-CE1 4.36Å; E977-F982 WeakPolarHBondContact O-CE2 3.06Å; P978-F982 PolarHBondContact O-N 2.66Å; N979-F982 CarbonylContact O-C 3.48Å; N979-F982 VanDerWaalsContact O-C 3.32Å; N979-F982 PolarHBondContact O-N 3.2Å; F982-E984 VanDerWaalsContact C-N 3.32Å; F982-E984 PolarHBondContact O-N 3.19Å; F982-I985 HydrophobicContact CB-CB 4.47Å; F982-I985 HydrophobicContact CB-CD1 4.16Å; F982-I985 HydrophobicContact CB-CG1 4.44Å; F982-I985 HydrophobicContact CD1-CD1 3.85Å; F982-I985 HydrophobicContact CG-CD1 4.44Å; F982-I985 PolarHBondContact O-N 3.28Å; F982-V1009 HydrophobicContact CD1-CG1 3.79Å; F982-V1009 HydrophobicContact CE1-CB 4.32Å; F982-V1009 HydrophobicContact CE1-CG1 3.73Å; F982-Q1013 HydrophobicContact CD1-CB 4.34Å; F982-Q1013 HydrophobicContact CE1-CB 3.58Å; F982-Q1013 HydrophobicContact CE1-CG 4.46Å; F982-Q1013 HydrophobicContact CZ-CB 4.09Å; F982-Q1013 WeakPolarHBondContact CZ-O 3.42Å; F982-A1019 HydrophobicContact CE2-CB 3.98Å; F982-A1019 HydrophobicContact CZ-CB 4.04Å; F982-L1044 HydrophobicContact CE1-CD1 4.23Å; F982-L1044 HydrophobicContact CE2-CD1 4.09Å; F982-L1044 HydrophobicContact CZ-CD1 3.5Å; F982-L1044 VanDerWaalsContact CZ-CD1 3.5Å
983	P	82.4	Confident	89.4	Confident	83 Å²	83	61.6 Å²	61.6	54%	0.539	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-24.8	-169.5	27.8	-35.6	0	0	0	114.3	N979 V981	N979-P983 WeakPolarHBondContact O-CA 3.4Å; V981-P983 VanDerWaalsContact O-CD 3.3Å; V981-P983 WeakPolarHBondContact O-CD 3.17Å
984	E	84.5	Confident	88.9	Confident	187 Å²	187	62.6 Å²	62.6	87%	0.874	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	0.4	-174.8	-63.2	-177.5	-179.8	0	0	113.3	F982	F982-E984 VanDerWaalsContact C-N 3.32Å; F982-E984 PolarHBondContact O-N 3.19Å
985	I	88.3	Confident	88.4	Confident	40 Å²	40	65.4 Å²	65.4	21%	0.205	34%	0.335	C	S	.	.			trans	-101.4	114.3	-172.1	-55.2	-176.3	0	0	0	110.6	L976 F982 F1007 V1009	L976-I985 HydrophobicContact CD1-CD1 3.81Å; L976-I985 HydrophobicContact CD1-CG2 4.18Å; F982-I985 HydrophobicContact CB-CB 4.47Å; F982-I985 HydrophobicContact CB-CD1 4.16Å; F982-I985 HydrophobicContact CB-CG1 4.44Å; F982-I985 HydrophobicContact CD1-CD1 3.85Å; F982-I985 HydrophobicContact CG-CD1 4.44Å; F982-I985 PolarHBondContact O-N 3.28Å; I985-F1007 HydrophobicContact CG2-CD1 3.68Å; I985-F1007 HydrophobicContact CG2-CE1 4.29Å; I985-V1009 HydrophobicContact CD1-CG1 3.19Å
986	E	86.9	Confident	88	Confident	157 Å²	157	67.5 Å²	67.5	73%	0.734	35%	0.345	S	S	*	.			trans	-77.1	143.8	177	-64	-171.6	162.1	0	0	112.3
987	P	89.2	Confident	87.6	Confident	68 Å²	68	68.8 Å²	68.8	44%	0.442	35%	0.352	S	S	.	.			trans	-60.3	145	172.6	-21.1	32.1	0	0	0	112.5	R973 L974 C975	R973-P987 HydrophobicContact CG-CB 4.15Å; L974-P987 CarbonylContact O-C 3.5Å; L974-P987 VanDerWaalsContact O-CA 3.26Å; L974-P987 WeakPolarHBondContact O-CA 3.39Å; C975-P987 HydrophobicContact CB-CB 4.38Å
988	R	92.6	Very high	87.5	Confident	124 Å²	124	72.3 Å²	72.3	47%	0.468	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	145.8	175.2	-58.4	-63.3	-175.2	138.3	3.1	110.3	R973 L974 F1005 F1007	R973-R988 CarbonylContact C-O 3.59Å; R973-R988 WeakPolarHBondContact CA-O 3.48Å; L974-R988 HydrophobicContact CB-CB 4.47Å; L974-R988 PolarHBondContact N-O 2.86Å; L974-R988 PolarHBondContact O-N 3.24Å; R988-F1005 HydrophobicContact CB-CB 4.47Å; R988-F1005 HydrophobicContact CB-CD1 3.6Å; R988-F1005 HydrophobicContact CB-CE1 4.02Å; R988-F1005 HydrophobicContact CB-CG 4.06Å; R988-F1005 HydrophobicContact CG-CB 4.46Å; R988-F1005 HydrophobicContact CG-CD1 4.06Å; R988-F1007 HydrophobicContact CB-CE1 4.36Å; R988-F1007 HydrophobicContact CB-CZ 4.07Å; R988-F1007 HydrophobicContact CG-CD1 4.49Å; R988-F1007 HydrophobicContact CG-CE1 3.54Å; R988-F1007 HydrophobicContact CG-CZ 3.65Å
989	C	90.9	Very high	87.5	Confident	61 Å²	61	72.3 Å²	72.3	41%	0.412	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.4	177.9	-61.9	0	0	0	0	110.4	F971 V972 F1005	F971-C989 HydrophobicContact CD2-CB 4.19Å; F971-C989 HydrophobicContact CE2-CB 4.44Å; V972-C989 CarbonylContact O-C 3.57Å; V972-C989 VanDerWaalsContact O-CA 3.31Å; V972-C989 WeakPolarHBondContact O-CA 3.44Å; C989-F1005 WeakPolarHBondContact O-CZ 3.28Å
990	T	92	Very high	87.6	Confident	9 Å²	9	72.9 Å²	72.9	6%	0.055	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-72.6	167.1	165.2	65.5	0	0	0	0	111.1	V953 V972 F1001 E1003 F1005	V953-T990 HydrophobicContact CB-CG2 4Å; V953-T990 HydrophobicContact CG1-CG2 4.18Å; V953-T990 HydrophobicContact CG2-CG2 4.03Å; V972-T990 HydrophobicContact CB-CG2 4.04Å; V972-T990 PolarHBondContact N-OG1 2.66Å; V972-T990 PolarHBondContact O-N 2.95Å; T990-F1001 HydrophobicContact CG2-CB 4.24Å; T990-F1001 HydrophobicContact CG2-CD1 4.12Å; T990-F1001 HydrophobicContact CG2-CG 4.21Å; T990-F1001 WeakPolarHBondContact OG1-CD1 3.27Å; T990-F1001 WeakPolarHBondContact OG1-CE1 3.41Å; T990-E1003 VanDerWaalsContact CA-OE2 3.31Å; T990-E1003 WeakPolarHBondContact CA-OE2 3.48Å; T990-E1003 WeakPolarHBondContact CB-OE1 3.4Å; T990-E1003 HydrophobicContact CG2-CB 4.17Å; T990-F1005 HydrophobicContact CG2-CE2 3.8Å; T990-F1005 HydrophobicContact CG2-CZ 3.9Å
991	Q	89.2	Confident	87.9	Confident	141 Å²	141	71.1 Å²	71.1	66%	0.659	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-68.6	146.9	163	-59.9	-175.5	13.6	0	0	109.8	E1003	Q991-E1003 WeakPolarHBondContact CB-OE1 3.43Å; Q991-E1003 PolarHBondContact N-OE1 3.19Å; Q991-E1003 PolarHBondContact N-OE2 3.09Å
992	Y	88.4	Confident	88.1	Confident	125 Å²	125	75 Å²	75	49%	0.49	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-73.8	146.7	174.9	73.4	-87.4	0	0	0	110.6	D969 P970 H1028	D969-Y992 HydrophobicContact CB-CD2 4.22Å; P970-Y992 WeakPolarHBondContact O-CA 3.45Å; Y992-H1028 AromaticContact CD1-CD2 3.83Å; Y992-H1028 AromaticContact CE1-CD2 3.98Å; Y992-H1028 HydrophobicContact CG-CB 4.14Å; Y992-H1028 AromaticContact CG-CD2 3.99Å
993	K	88.1	Confident	88.3	Confident	65 Å²	65	76.7 Å²	76.7	28%	0.283	39%	0.393	S	S	.	.			trans	-112.5	115.4	177.5	-62	-67.2	173	154.4	0	108.4	D969 P970 P999 L1000 F1001	D969-K993 CarbonylContact C-O 3.56Å; D969-K993 VanDerWaalsContact CA-O 3.24Å; D969-K993 WeakPolarHBondContact CA-O 3.46Å; P970-K993 VanDerWaalsContact CD-O 3.27Å; P970-K993 WeakPolarHBondContact CD-O 3.16Å; P970-K993 PolarHBondContact O-N 3.34Å; K993-P999 HydrophobicContact CB-CB 3.82Å; K993-P999 HydrophobicContact CG-CB 3.82Å; K993-L1000 WeakPolarHBondContact CE-O 3.48Å; K993-L1000 PolarHBondContact NZ-O 2.85Å; K993-F1001 HydrophobicContact CG-CD1 3.97Å; K993-F1001 HydrophobicContact CG-CE1 3.77Å
994	S	83.6	Confident	88.7	Confident	75 Å²	75	75.5 Å²	75.5	52%	0.524	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	135	-171	-171.9	0	0	0	0	113	D969 D996	D969-S994 WeakPolarHBondContact OD1-CA 3.48Å; D969-S994 WeakPolarHBondContact OD1-CB 3.03Å; D969-S994 PolarHBondContact OD1-OG 2.97Å; S994-D996 PolarHBondContact O-N 2.76Å
995	C	82.6	Confident	89.1	Confident	58 Å²	58	67.8 Å²	67.8	39%	0.392	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	45	172.8	-66.6	0	0	0	0	113.6	L967 S968 D969	L967-C995 HydrophobicContact CB-CB 4.32Å; L967-C995 HydrophobicContact CD1-CB 3.7Å; S968-C995 CarbonylContact O-C 3.51Å; S968-C995 VanDerWaalsContact O-CA 3.25Å; S968-C995 WeakPolarHBondContact O-CA 3.48Å; S968-C995 PolarHBondContact O-N 2.93Å; S968-C995 VanDerWaalsContact O-N 3.11Å; D969-C995 PolarHBondContact OD1-N 2.68Å
996	D	85.3	Confident	89.2	Confident	59 Å²	59	68.8 Å²	68.8	32%	0.316	36%	0.36	S	S	.	.			trans	-137	123.5	-176.6	-164.8	-6.2	0	0	0	112.7	S968 P970 S994 N998 P999	S968-D996 PolarHBondContact O-N 2.73Å; P970-D996 WeakPolarHBondContact CD-O 3.49Å; P970-D996 WeakPolarHBondContact CG-O 3.42Å; S994-D996 PolarHBondContact O-N 2.76Å; D996-N998 PolarHBondContact OD1-N 2.8Å; D996-P999 WeakPolarHBondContact OD2-CA 3.33Å
997	L	85.6	Confident	89.5	Confident	35 Å²	35	61.5 Å²	61.5	18%	0.183	33%	0.326	C	S	.	.	S	Bend	trans	-91.7	-4.6	176	-60.2	178.7	0	0	0	113.2	S958 L959 P961 L967 P999	S958-L997 PolarHBondContact N-O 3.15Å; L959-L997 HydrophobicContact CB-CD2 4.43Å; L959-L997 PolarHBondContact N-O 2.98Å; P961-L997 HydrophobicContact CB-CD1 4.36Å; P961-L997 HydrophobicContact CB-CD2 4.32Å; L967-L997 HydrophobicContact CD2-CD1 4.25Å; L967-L997 HydrophobicContact CD2-CG 4.11Å; L997-P999 VanDerWaalsContact C-CD 3.43Å
998	N	88.8	Confident	89.5	Confident	78 Å²	78	64.1 Å²	64.1	42%	0.417	34%	0.335	S	S	.	.	S	Bend	trans	-132.5	54.5	176	-55.1	-84.3	0	0	0	111.1	A956 V957 S958 D996 L1000	A956-N998 CarbonylContact O-C 3.59Å; A956-N998 WeakPolarHBondContact O-CA 3.46Å; V957-N998 WeakPolarHBondContact CA-OD1 3.22Å; V957-N998 WeakPolarHBondContact CG1-OD1 3.48Å; S958-N998 PolarHBondContact N-OD1 2.94Å; D996-N998 PolarHBondContact OD1-N 2.8Å; N998-L1000 PolarHBondContact O-N 2.82Å
999	P	89.4	Confident	89.4	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.314	C	S	.	.			trans	-62.4	135.2	-171.4	30.6	-40.9	0	0	0	112.1	N955 A956 L959 P970 K993 D996 L997 F1001	N955-P999 VanDerWaalsContact CA-O 3.22Å; N955-P999 WeakPolarHBondContact CA-O 3.44Å; N955-P999 WeakPolarHBondContact CB-O 3.43Å; A956-P999 HydrophobicContact CB-CG 3.93Å; A956-P999 PolarHBondContact N-O 3.31Å; A956-P999 WeakPolarHBondContact O-CD 3.47Å; L959-P999 HydrophobicContact CD1-CG 3.77Å; P970-P999 HydrophobicContact CB-CG 4.23Å; P970-P999 HydrophobicContact CG-CB 3.89Å; P970-P999 HydrophobicContact CG-CG 3.51Å; K993-P999 HydrophobicContact CB-CB 3.82Å; K993-P999 HydrophobicContact CG-CB 3.82Å; D996-P999 WeakPolarHBondContact OD2-CA 3.33Å; L997-P999 VanDerWaalsContact C-CD 3.43Å; P999-F1001 HydrophobicContact CB-CD2 4.43Å; P999-F1001 HydrophobicContact CB-CE1 4.14Å; P999-F1001 HydrophobicContact CB-CE2 3.78Å; P999-F1001 HydrophobicContact CB-CZ 3.61Å; P999-F1001 HydrophobicContact CG-CD2 4.4Å; P999-F1001 HydrophobicContact CG-CE1 4.46Å; P999-F1001 HydrophobicContact CG-CE2 3.43Å; P999-F1001 VanDerWaalsContact CG-CE2 3.43Å; P999-F1001 HydrophobicContact CG-CZ 3.47Å; P999-F1001 VanDerWaalsContact CG-CZ 3.47Å
1000	L	90.4	Very high	89.4	Confident	101 Å²	101	56.9 Å²	56.9	53%	0.529	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	116.3	164.3	-60.4	178.4	0	0	0	108.7	N955 K993 N998	N955-L1000 HydrophobicContact CB-CD2 3.53Å; K993-L1000 WeakPolarHBondContact CE-O 3.48Å; K993-L1000 PolarHBondContact NZ-O 2.85Å; N998-L1000 PolarHBondContact O-N 2.82Å
1001	F	91.5	Very high	89.1	Confident	8 Å²	8	58.7 Å²	58.7	4%	0.035	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-55.4	-179.6	-63.4	-75.1	0	0	0	110.7	V953 L954 A956 P970 V972 T990 K993 P999 E1003	V953-F1001 HydrophobicContact CB-CB 4.39Å; V953-F1001 HydrophobicContact CG1-CB 4.1Å; V953-F1001 HydrophobicContact CG1-CD2 3.78Å; V953-F1001 HydrophobicContact CG1-CG 4.15Å; V953-F1001 WeakPolarHBondContact O-CB 3.4Å; L954-F1001 PolarHBondContact O-N 3.42Å; A956-F1001 HydrophobicContact CB-CE2 4.16Å; P970-F1001 HydrophobicContact CB-CZ 4.48Å; P970-F1001 WeakPolarHBondContact O-CE1 3.33Å; V972-F1001 HydrophobicContact CG2-CD2 4.07Å; V972-F1001 HydrophobicContact CG2-CE2 3.57Å; V972-F1001 HydrophobicContact CG2-CZ 3.85Å; T990-F1001 HydrophobicContact CG2-CB 4.24Å; T990-F1001 HydrophobicContact CG2-CD1 4.12Å; T990-F1001 HydrophobicContact CG2-CG 4.21Å; T990-F1001 WeakPolarHBondContact OG1-CD1 3.27Å; T990-F1001 WeakPolarHBondContact OG1-CE1 3.41Å; K993-F1001 HydrophobicContact CG-CD1 3.97Å; K993-F1001 HydrophobicContact CG-CE1 3.77Å; P999-F1001 HydrophobicContact CB-CD2 4.43Å; P999-F1001 HydrophobicContact CB-CE1 4.14Å; P999-F1001 HydrophobicContact CB-CE2 3.78Å; P999-F1001 HydrophobicContact CB-CZ 3.61Å; P999-F1001 HydrophobicContact CG-CD2 4.4Å; P999-F1001 HydrophobicContact CG-CE1 4.46Å; P999-F1001 HydrophobicContact CG-CE2 3.43Å; P999-F1001 VanDerWaalsContact CG-CE2 3.43Å; P999-F1001 HydrophobicContact CG-CZ 3.47Å; P999-F1001 VanDerWaalsContact CG-CZ 3.47Å; F1001-E1003 VanDerWaalsContact C-N 3.28Å; F1001-E1003 PolarHBondContact O-N 3.46Å
1002	D	91	Very high	88.9	Confident	99 Å²	99	57.7 Å²	57.7	53%	0.529	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	49.2	47.2	-173.7	-59.3	-35.1	0	0	0	112.3	V953 L954	V953-D1002 WeakPolarHBondContact O-CA 3.26Å; V953-D1002 PolarHBondContact O-N 3.11Å; L954-D1002 PolarHBondContact O-N 2.96Å
1003	E	92.8	Very high	88.9	Confident	38 Å²	38	54.5 Å²	54.5	18%	0.178	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.9	-177.7	-72.2	-176.9	-125.3	0	0	111.6	E952 V953 T990 Q991 F1001 F1005	E952-E1003 WeakPolarHBondContact CA-O 3.25Å; V953-E1003 PolarHBondContact N-O 2.82Å; V953-E1003 PolarHBondContact O-N 3.37Å; V953-E1003 VanDerWaalsContact O-N 3.16Å; T990-E1003 VanDerWaalsContact CA-OE2 3.31Å; T990-E1003 WeakPolarHBondContact CA-OE2 3.48Å; T990-E1003 WeakPolarHBondContact CB-OE1 3.4Å; T990-E1003 HydrophobicContact CG2-CB 4.17Å; Q991-E1003 WeakPolarHBondContact CB-OE1 3.43Å; Q991-E1003 PolarHBondContact N-OE1 3.19Å; Q991-E1003 PolarHBondContact N-OE2 3.09Å; F1001-E1003 VanDerWaalsContact C-N 3.28Å; F1001-E1003 PolarHBondContact O-N 3.46Å; E1003-F1005 HydrophobicContact CB-CE2 3.91Å; E1003-F1005 HydrophobicContact CB-CZ 3.99Å
1004	A	91.4	Very high	88.9	Confident	57 Å²	57	51.5 Å²	51.5	47%	0.471	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	139.7	-177.3	0	0	0	0	0	113.2	I951 E952	I951-A1004 CarbonylContact O-C 3.51Å; E952-A1004 HydrophobicContact CB-CB 4.36Å; E952-A1004 HydrophobicContact CG-CB 4.17Å
1005	F	93.6	Very high	89	Confident	25 Å²	25	52.6 Å²	52.6	11%	0.11	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	136.8	-177.9	-55.5	-82.4	0	0	0	111.3	I951 V953 L974 R988 C989 T990 E1003 F1007	I951-F1005 PolarHBondContact N-O 3.27Å; I951-F1005 PolarHBondContact O-N 2.88Å; V953-F1005 HydrophobicContact CG2-CD2 4.3Å; V953-F1005 HydrophobicContact CG2-CE2 4.02Å; L974-F1005 HydrophobicContact CD1-CB 4.31Å; L974-F1005 HydrophobicContact CD1-CD2 3.51Å; L974-F1005 HydrophobicContact CD1-CE2 4.11Å; L974-F1005 HydrophobicContact CD1-CG 4.09Å; R988-F1005 HydrophobicContact CB-CB 4.47Å; R988-F1005 HydrophobicContact CB-CD1 3.6Å; R988-F1005 HydrophobicContact CB-CE1 4.02Å; R988-F1005 HydrophobicContact CB-CG 4.06Å; R988-F1005 HydrophobicContact CG-CB 4.46Å; R988-F1005 HydrophobicContact CG-CD1 4.06Å; C989-F1005 WeakPolarHBondContact O-CZ 3.28Å; T990-F1005 HydrophobicContact CG2-CE2 3.8Å; T990-F1005 HydrophobicContact CG2-CZ 3.9Å; E1003-F1005 HydrophobicContact CB-CE2 3.91Å; E1003-F1005 HydrophobicContact CB-CZ 3.99Å; F1005-F1007 HydrophobicContact CB-CE2 4.15Å; F1005-F1007 HydrophobicContact CB-CZ 4.48Å
1006	D	91	Very high	89.3	Confident	61 Å²	61	51.6 Å²	51.6	33%	0.326	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.9	175.5	-73.2	-22.8	0	0	0	110.7	R948 H950	R948-D1006 VanDerWaalsContact CD-CG 3.5Å; R948-D1006 WeakPolarHBondContact CD-OD2 3.38Å; R948-D1006 HydrophobicContact CG-CB 4.02Å; R948-D1006 IonicContact CZ-OD2 3.44Å; R948-D1006 IonicContact NE-OD2 3.27Å; R948-D1006 IonicContact NH1-OD2 2.83Å; R948-D1006 PolarHBondContact NH1-OD2 3.4Å; H950-D1006 IonicContact CE1-OD1 2.96Å; H950-D1006 IonicContact CG-OD1 2.86Å; H950-D1006 IonicContact ND1-OD1 3.91Å; H950-D1006 PolarHBondContact ND1-OD1 2.88Å
1007	F	91.8	Very high	89.2	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.018	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.9	171.5	-56.5	-89.2	0	0	0	110.2	R948 L949 I951 L974 L976 I985 R988 F1005	R948-F1007 CarbonylContact C-O 3.19Å; R948-F1007 WeakPolarHBondContact CA-O 3.31Å; L949-F1007 HydrophobicContact CB-CB 4.27Å; L949-F1007 HydrophobicContact CD2-CD2 4.36Å; L949-F1007 PolarHBondContact N-O 2.73Å; L949-F1007 PolarHBondContact O-N 2.85Å; I951-F1007 HydrophobicContact CB-CE2 4.44Å; I951-F1007 HydrophobicContact CG1-CD2 4.31Å; I951-F1007 HydrophobicContact CG1-CE2 4.1Å; L974-F1007 HydrophobicContact CB-CZ 3.93Å; L974-F1007 HydrophobicContact CD1-CE2 4.38Å; L974-F1007 HydrophobicContact CD1-CZ 4.4Å; L976-F1007 HydrophobicContact CD1-CB 4.04Å; L976-F1007 HydrophobicContact CD1-CD1 4.16Å; L976-F1007 HydrophobicContact CD1-CG 4.13Å; L976-F1007 HydrophobicContact CG-CD1 4.44Å; I985-F1007 HydrophobicContact CG2-CD1 3.68Å; I985-F1007 HydrophobicContact CG2-CE1 4.29Å; R988-F1007 HydrophobicContact CB-CE1 4.36Å; R988-F1007 HydrophobicContact CB-CZ 4.07Å; R988-F1007 HydrophobicContact CG-CD1 4.49Å; R988-F1007 HydrophobicContact CG-CE1 3.54Å; R988-F1007 HydrophobicContact CG-CZ 3.65Å; F1005-F1007 HydrophobicContact CB-CE2 4.15Å; F1005-F1007 HydrophobicContact CB-CZ 4.48Å
1008	L	90.5	Very high	89.2	Confident	124 Å²	124	51 Å²	51	65%	0.649	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	106.5	174	-63.5	174.5	0	0	0	108.8
1009	V	90.6	Very high	89.4	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.018	26%	0.263	C	S	.	.			trans	-142	136.8	-176.8	-74.7	0	0	0	0	111.1	Y942 Q947 L949 L976 F982 I985	Y942-V1009 HydrophobicContact CE2-CG2 3.91Å; Y942-V1009 WeakPolarHBondContact CE2-O 3.48Å; Y942-V1009 PolarHBondContact OH-O 3.21Å; Q947-V1009 CarbonylContact C-O 3.53Å; Q947-V1009 PolarHBondContact O-N 2.79Å; Q947-V1009 VanDerWaalsContact O-O 3.05Å; L949-V1009 HydrophobicContact CB-CG2 3.72Å; L976-V1009 HydrophobicContact CD1-CG1 3.52Å; F982-V1009 HydrophobicContact CD1-CG1 3.79Å; F982-V1009 HydrophobicContact CE1-CB 4.32Å; F982-V1009 HydrophobicContact CE1-CG1 3.73Å; I985-V1009 HydrophobicContact CD1-CG1 3.19Å
1010	S	89.4	Confident	89.6	Confident	29 Å²	29	47.5 Å²	47.5	20%	0.203	26%	0.263	C	S	.	.			trans	-76.1	157.5	176.6	78	0	0	0	0	111.8	D1012 Q1013 C1014	S1010-D1012 VanDerWaalsContact C-N 3.31Å; S1010-D1012 PolarHBondContact O-N 3.44Å; S1010-Q1013 PolarHBondContact O-N 2.92Å; S1010-Q1013 WeakPolarHBondContact OG-CG 3.49Å; S1010-Q1013 PolarHBondContact OG-N 2.79Å; S1010-Q1013 PolarHBondContact OG-OE1 2.95Å; S1010-C1014 PolarHBondContact O-N 3.24Å; S1010-C1014 PolarHBondContact O-SG 2.91Å
1011	L	86.1	Confident	89.7	Confident	47 Å²	47	42.7 Å²	42.7	25%	0.246	24%	0.238	C	C	.	.	H	α-helix	trans	-59.8	-41.6	178	-171.2	69.6	0	0	0	111.9	Y942 Q1013 C1014 Q1015 V1050	Y942-L1011 HydrophobicContact CD1-CD1 4.47Å; Y942-L1011 HydrophobicContact CE1-CD1 3.99Å; Y942-L1011 PolarHBondContact OH-N 3.09Å; L1011-Q1013 VanDerWaalsContact C-N 3.3Å; L1011-Q1013 PolarHBondContact O-N 3.19Å; L1011-C1014 WeakPolarHBondContact O-CB 3.31Å; L1011-C1014 PolarHBondContact O-N 3.44Å; L1011-C1014 VanDerWaalsContact O-N 3.14Å; L1011-Q1015 WeakPolarHBondContact O-CG 3.24Å; L1011-Q1015 PolarHBondContact O-N 2.84Å; L1011-V1050 HydrophobicContact CD1-CG1 4.01Å; L1011-V1050 WeakPolarHBondContact CD1-O 3.47Å
1012	D	86.1	Confident	89.9	Confident	121 Å²	121	42.5 Å²	42.5	65%	0.647	24%	0.237	S	C	*	.	H	α-helix	trans	-61.8	-37.3	178.3	-66.8	-26.7	0	0	0	112.2	S1010 Q1015 T1016	S1010-D1012 VanDerWaalsContact C-N 3.31Å; S1010-D1012 PolarHBondContact O-N 3.44Å; D1012-Q1015 PolarHBondContact O-N 2.83Å; D1012-T1016 PolarHBondContact O-N 3.47Å; D1012-T1016 PolarHBondContact O-OG1 3.48Å
1013	Q	88.3	Confident	90	Very high	57 Å²	57	37.8 Å²	37.8	27%	0.266	21%	0.212	S	C	.	.	H	α-helix	trans	-66	-41.9	175.2	-71.6	174.2	-51.3	0	0	111	V981 F982 S1010 L1011 Q1015 T1016 A1019	V981-Q1013 HydrophobicContact CG1-CB 3.9Å; V981-Q1013 HydrophobicContact CG1-CG 4.07Å; V981-Q1013 PolarHBondContact O-NE2 3.43Å; F982-Q1013 HydrophobicContact CD1-CB 4.34Å; F982-Q1013 HydrophobicContact CE1-CB 3.58Å; F982-Q1013 HydrophobicContact CE1-CG 4.46Å; F982-Q1013 HydrophobicContact CZ-CB 4.09Å; F982-Q1013 WeakPolarHBondContact CZ-O 3.42Å; S1010-Q1013 PolarHBondContact O-N 2.92Å; S1010-Q1013 WeakPolarHBondContact OG-CG 3.49Å; S1010-Q1013 PolarHBondContact OG-N 2.79Å; S1010-Q1013 PolarHBondContact OG-OE1 2.95Å; L1011-Q1013 VanDerWaalsContact C-N 3.3Å; L1011-Q1013 PolarHBondContact O-N 3.19Å; Q1013-Q1015 VanDerWaalsContact C-N 3.3Å; Q1013-Q1015 PolarHBondContact O-N 3.46Å; Q1013-T1016 WeakPolarHBondContact O-CB 3.36Å; Q1013-T1016 PolarHBondContact O-N 3.04Å; Q1013-T1016 PolarHBondContact O-OG1 3.29Å; Q1013-A1019 WeakPolarHBondContact O-CB 3.31Å
1014	C	86.8	Confident	90.1	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.014	21%	0.205	C	C	.	.	H	α-helix	trans	-65.4	-31.4	176.3	-66.2	0	0	0	0	113.3	S1010 L1011 T1016 L1044 V1050	S1010-C1014 PolarHBondContact O-N 3.24Å; S1010-C1014 PolarHBondContact O-SG 2.91Å; L1011-C1014 WeakPolarHBondContact O-CB 3.31Å; L1011-C1014 PolarHBondContact O-N 3.44Å; L1011-C1014 VanDerWaalsContact O-N 3.14Å; C1014-T1016 VanDerWaalsContact C-N 3.34Å; C1014-L1044 HydrophobicContact CB-CB 4.04Å; C1014-L1044 HydrophobicContact CB-CD1 4.46Å; C1014-V1050 HydrophobicContact CB-CG1 3.79Å; C1014-V1050 HydrophobicContact CB-CG2 4.43Å
1015	Q	87	Confident	90.2	Very high	98 Å²	98	33.5 Å²	33.5	46%	0.458	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-3.1	179	-68.3	179	-5	0	0	113.7	L1011 D1012 Q1013 V1050	L1011-Q1015 WeakPolarHBondContact O-CG 3.24Å; L1011-Q1015 PolarHBondContact O-N 2.84Å; D1012-Q1015 PolarHBondContact O-N 2.83Å; Q1013-Q1015 VanDerWaalsContact C-N 3.3Å; Q1013-Q1015 PolarHBondContact O-N 3.46Å; Q1015-V1050 HydrophobicContact CG-CG1 4.38Å
1016	T	87.9	Confident	90.1	Very high	38 Å²	38	32.5 Å²	32.5	23%	0.233	18%	0.178	C	C	.	.	S	Bend	trans	-65.8	136.4	179.6	-62.6	0	0	0	0	110.4	V981 D1012 Q1013 C1014 G1018 A1019	V981-T1016 HydrophobicContact CG1-CG2 4.48Å; V981-T1016 HydrophobicContact CG2-CG2 3.69Å; D1012-T1016 PolarHBondContact O-N 3.47Å; D1012-T1016 PolarHBondContact O-OG1 3.48Å; Q1013-T1016 WeakPolarHBondContact O-CB 3.36Å; Q1013-T1016 PolarHBondContact O-N 3.04Å; Q1013-T1016 PolarHBondContact O-OG1 3.29Å; C1014-T1016 VanDerWaalsContact C-N 3.34Å; T1016-G1018 PolarHBondContact O-N 3.38Å; T1016-G1018 VanDerWaalsContact O-N 3.14Å; T1016-A1019 WeakPolarHBondContact O-CB 3.4Å; T1016-A1019 PolarHBondContact O-N 3.04Å
1017	P	84.1	Confident	90	Very high	75 Å²	75	29.6 Å²	29.6	49%	0.487	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	121	-177.9	-27.5	35.1	0	0	0	113.1	E915	E915-P1017 WeakPolarHBondContact CB-O 3.47Å; E915-P1017 WeakPolarHBondContact CG-O 3.46Å
1018	G	85.6	Confident	89.7	Confident	7 Å²	7	32.2 Å²	32.2	7%	0.072	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	7.6	-179.4	0	0	0	0	0	114.7	F918 T1016 C1020	F918-G1018 WeakPolarHBondContact CB-O 3.39Å; T1016-G1018 PolarHBondContact O-N 3.38Å; T1016-G1018 VanDerWaalsContact O-N 3.14Å; G1018-C1020 PolarHBondContact O-N 3.48Å
1019	A	92.1	Very high	89.4	Confident	4 Å²	4	27.7 Å²	27.7	3%	0.033	15%	0.151	C	C	.	.			trans	-65.4	121.2	170.3	0	0	0	0	0	111	E977 F982 Q1013 T1016 L1044	E977-A1019 CarbonylContact O-C 3.32Å; E977-A1019 WeakPolarHBondContact O-CA 3.45Å; F982-A1019 HydrophobicContact CE2-CB 3.98Å; F982-A1019 HydrophobicContact CZ-CB 4.04Å; Q1013-A1019 WeakPolarHBondContact O-CB 3.31Å; T1016-A1019 WeakPolarHBondContact O-CB 3.4Å; T1016-A1019 PolarHBondContact O-N 3.04Å; A1019-L1044 HydrophobicContact CB-CD1 4.1Å; A1019-L1044 PolarHBondContact O-N 3.12Å; A1019-L1044 VanDerWaalsContact O-N 3.12Å
1020	C	93.7	Very high	88.9	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	155.5	-179	60.7	0	0	0	0	112.9	F918 I922 E977 G1018 L1042	F918-C1020 VanDerWaalsContact CD1-SG 3.58Å; I922-C1020 HydrophobicContact CD1-CB 3.72Å; I922-C1020 HydrophobicContact CG1-CB 3.88Å; E977-C1020 PolarHBondContact N-O 2.93Å; E977-C1020 PolarHBondContact O-N 3.38Å; E977-C1020 VanDerWaalsContact O-O 3.11Å; G1018-C1020 PolarHBondContact O-N 3.48Å; C1020-L1042 CarbonylContact C-O 3.53Å; C1020-L1042 WeakPolarHBondContact CA-O 3.17Å; C1020-L1042 WeakPolarHBondContact CB-O 2.85Å
1021	L	93.8	Very high	88.2	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	116.8	162.2	179.8	69.8	0	0	0	108.1	I951 L974 L976 I1023 L1042 L1044	I951-L1021 HydrophobicContact CD1-CD2 3.68Å; I951-L1021 HydrophobicContact CG1-CD2 3.78Å; I951-L1021 HydrophobicContact CG2-CD2 4.12Å; L974-L1021 HydrophobicContact CB-CD1 4.18Å; L974-L1021 HydrophobicContact CD2-CD2 4.38Å; L976-L1021 HydrophobicContact CD2-CB 4.08Å; L976-L1021 HydrophobicContact CD2-CD1 3.68Å; L976-L1021 HydrophobicContact CG-CD1 4.35Å; L1021-I1023 HydrophobicContact CD2-CD1 4.14Å; L1021-I1023 HydrophobicContact CD2-CG1 4.15Å; L1021-I1023 HydrophobicContact CG-CD1 4.05Å; L1021-I1023 HydrophobicContact CG-CG1 4.11Å; L1021-I1023 WeakPolarHBondContact O-CD1 3.42Å; L1021-L1042 HydrophobicContact CB-CB 4.26Å; L1021-L1042 HydrophobicContact CD2-CD2 4.38Å; L1021-L1042 PolarHBondContact N-O 3.46Å; L1021-L1042 PolarHBondContact O-N 3.28Å; L1021-L1044 HydrophobicContact CB-CD2 3.97Å
1022	V	94	Very high	87.8	Confident	4 Å²	4	46.8 Å²	46.8	2%	0.024	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	116.4	172	-175.5	0	0	0	0	108.3	F918 C975 E977 F1041	F918-V1022 HydrophobicContact CE1-CG2 4.04Å; C975-V1022 PolarHBondContact N-O 2.86Å; C975-V1022 PolarHBondContact O-N 3.37Å; E977-V1022 HydrophobicContact CB-CG2 3.93Å; E977-V1022 HydrophobicContact CG-CB 4.5Å; E977-V1022 HydrophobicContact CG-CG2 3.69Å; V1022-F1041 HydrophobicContact CG1-CD1 4.38Å; V1022-F1041 HydrophobicContact CG1-CE1 4.05Å; V1022-F1041 HydrophobicContact CG2-CD1 3.81Å; V1022-F1041 HydrophobicContact CG2-CE1 3.87Å
1023	I	94.8	Very high	87.6	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	118.8	177	-56.3	101.3	0	0	0	107.4	V936 L938 V972 L974 L1021 E1039 A1040 L1042 L1071	V936-I1023 HydrophobicContact CG1-CG2 3.92Å; V936-I1023 HydrophobicContact CG2-CG2 4.36Å; L938-I1023 HydrophobicContact CD1-CD1 3.83Å; L938-I1023 HydrophobicContact CD1-CG1 3.82Å; V972-I1023 HydrophobicContact CG1-CG2 3.4Å; V972-I1023 VanDerWaalsContact CG1-CG2 3.4Å; L974-I1023 HydrophobicContact CD2-CB 4.27Å; L974-I1023 HydrophobicContact CD2-CG1 3.7Å; L974-I1023 HydrophobicContact CD2-CG2 3.99Å; L1021-I1023 HydrophobicContact CD2-CD1 4.14Å; L1021-I1023 HydrophobicContact CD2-CG1 4.15Å; L1021-I1023 HydrophobicContact CG-CD1 4.05Å; L1021-I1023 HydrophobicContact CG-CG1 4.11Å; L1021-I1023 WeakPolarHBondContact O-CD1 3.42Å; I1023-E1039 CarbonylContact O-C 3.56Å; I1023-E1039 WeakPolarHBondContact O-CA 3.16Å; I1023-A1040 HydrophobicContact CB-CB 4.43Å; I1023-A1040 PolarHBondContact N-O 3.06Å; I1023-A1040 PolarHBondContact O-N 2.89Å; I1023-L1042 HydrophobicContact CD1-CB 4Å; I1023-L1071 HydrophobicContact CD1-CD1 3.77Å
1024	T	93.7	Very high	87.5	Confident	4 Å²	4	45.7 Å²	45.7	3%	0.025	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.7	178.2	-50.8	0	0	0	0	109.2	R973 L1026 F1036	R973-T1024 PolarHBondContact N-O 3.24Å; R973-T1024 PolarHBondContact O-N 3.08Å; T1024-L1026 HydrophobicContact CG2-CD1 4.2Å; T1024-L1026 HydrophobicContact CG2-CD2 4.22Å; T1024-L1026 HydrophobicContact CG2-CG 3.91Å; T1024-F1036 HydrophobicContact CG2-CD2 3.78Å; T1024-F1036 HydrophobicContact CG2-CE2 3.6Å
1025	V	93	Very high	87.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	129.3	171.2	-171.3	0	0	0	0	108.6	L959 P970 V972 E1037 G1038 L1073	L959-V1025 HydrophobicContact CD1-CG1 4.15Å; L959-V1025 HydrophobicContact CD2-CG1 4.03Å; P970-V1025 HydrophobicContact CB-CG1 4.3Å; V972-V1025 HydrophobicContact CG2-CG2 4.23Å; V1025-E1037 HydrophobicContact CB-CB 4.27Å; V1025-E1037 HydrophobicContact CG1-CB 4.11Å; V1025-E1037 PolarHBondContact O-N 2.89Å; V1025-E1037 VanDerWaalsContact O-N 3.08Å; V1025-G1038 PolarHBondContact N-O 3.49Å; V1025-G1038 PolarHBondContact O-N 2.79Å; V1025-L1073 HydrophobicContact CB-CD1 4.09Å; V1025-L1073 HydrophobicContact CG2-CD1 3.76Å; V1025-L1073 HydrophobicContact CG2-CD2 3.67Å; V1025-L1073 HydrophobicContact CG2-CG 4.38Å
1026	L	91.4	Very high	87.6	Confident	5 Å²	5	44.2 Å²	44.2	3%	0.026	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	147.3	-176.9	-69.4	159.1	0	0	0	109.3	P970 F971 T1024 D1034 D1035 F1036	P970-L1026 CarbonylContact C-O 3.44Å; P970-L1026 VanDerWaalsContact CA-O 3.29Å; P970-L1026 WeakPolarHBondContact CA-O 3.43Å; F971-L1026 HydrophobicContact CD1-CB 4.04Å; F971-L1026 VanDerWaalsContact CD1-O 3.3Å; F971-L1026 WeakPolarHBondContact CD1-O 3.41Å; F971-L1026 HydrophobicContact CE1-CB 3.46Å; F971-L1026 VanDerWaalsContact CE1-CB 3.46Å; F971-L1026 HydrophobicContact CE1-CD1 4.38Å; F971-L1026 HydrophobicContact CE2-CB 4.18Å; F971-L1026 HydrophobicContact CE2-CD1 3.85Å; F971-L1026 HydrophobicContact CZ-CB 3.55Å; F971-L1026 HydrophobicContact CZ-CD1 3.59Å; F971-L1026 HydrophobicContact CZ-CG 4.21Å; F971-L1026 PolarHBondContact N-O 2.67Å; F971-L1026 PolarHBondContact O-N 3.22Å; T1024-L1026 HydrophobicContact CG2-CD1 4.2Å; T1024-L1026 HydrophobicContact CG2-CD2 4.22Å; T1024-L1026 HydrophobicContact CG2-CG 3.91Å; L1026-D1034 HydrophobicContact CB-CB 4.33Å; L1026-D1034 HydrophobicContact CD2-CB 4.49Å; L1026-D1035 CarbonylContact C-O 3.54Å; L1026-D1035 VanDerWaalsContact CA-O 3.25Å; L1026-D1035 WeakPolarHBondContact CA-O 3.32Å; L1026-F1036 HydrophobicContact CD2-CB 4.34Å; L1026-F1036 HydrophobicContact CD2-CD2 4.27Å
1027	D	88.8	Confident	87.6	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	126.7	171.8	-177	29.3	0	0	0	110.1	M962 D969 D1034 D1035 E1037	M962-D1027 HydrophobicContact CB-CB 4.09Å; M962-D1027 VanDerWaalsContact CB-OD2 3.24Å; M962-D1027 WeakPolarHBondContact CB-OD2 3.07Å; M962-D1027 HydrophobicContact CG-CB 4.2Å; D969-D1027 VanDerWaalsContact CA-OD1 3.28Å; D969-D1027 WeakPolarHBondContact CA-OD1 3.48Å; D969-D1027 PolarHBondContact N-OD1 3.07Å; D1027-D1034 CarbonylContact O-C 3.51Å; D1027-D1034 WeakPolarHBondContact O-CA 3.18Å; D1027-D1034 WeakPolarHBondContact O-CB 3.46Å; D1027-D1035 HydrophobicContact CB-CB 4.15Å; D1027-D1035 PolarHBondContact N-O 2.62Å; D1027-D1035 PolarHBondContact O-N 3.26Å; D1027-D1035 VanDerWaalsContact O-N 3.1Å; D1027-E1037 HydrophobicContact CB-CG 4.2Å
1028	H	87.3	Confident	87.9	Confident	58 Å²	58	38.9 Å²	38.9	27%	0.269	20%	0.204	S	C	.	.			trans	-82.9	119.1	-174.9	-177.3	47.7	0	0	0	112.8	D969 F971 Y992 D1034	D969-H1028 HydrophobicContact CB-CB 4.34Å; D969-H1028 PolarHBondContact O-N 3.42Å; F971-H1028 HydrophobicContact CD1-CB 3.99Å; F971-H1028 HydrophobicContact CE1-CB 4.1Å; Y992-H1028 AromaticContact CD1-CD2 3.83Å; Y992-H1028 AromaticContact CE1-CD2 3.98Å; Y992-H1028 HydrophobicContact CG-CB 4.14Å; Y992-H1028 AromaticContact CG-CD2 3.99Å; H1028-D1034 WeakPolarHBondContact CA-OD1 3.49Å; H1028-D1034 IonicContact CE1-OD1 3.89Å; H1028-D1034 IonicContact CG-OD1 3.16Å; H1028-D1034 IonicContact ND1-OD1 3.01Å; H1028-D1034 PolarHBondContact ND1-OD1 2.95Å
1029	D	83.6	Confident	88.3	Confident	29 Å²	29	38.8 Å²	38.8	16%	0.155	20%	0.201	C	C	.	.			trans	-110.8	131.6	-179.1	-107.7	-41.7	0	0	0	112.2	R1032 D1034	D1029-R1032 HydrophobicContact CB-CB 3.98Å; D1029-R1032 VanDerWaalsContact CB-O 3.29Å; D1029-R1032 WeakPolarHBondContact CB-O 3.35Å; D1029-R1032 WeakPolarHBondContact OD2-CB 3.38Å; D1029-D1034 PolarHBondContact N-OD1 2.84Å
1030	T	78.6	Confident	88.4	Confident	124 Å²	124	38.6 Å²	38.6	76%	0.761	20%	0.2	S	C	*	.	S	Bend	trans	-80.5	-24.4	-179	38.5	0	0	0	0	114.3
1031	L	74.7	Confident	88.4	Confident	172 Å²	172	38.8 Å²	38.8	90%	0.901	20%	0.201	S	C	*	.	S	Bend	trans	-122.1	-8.1	-175.7	-66.4	175.1	0	0	0	113.7
1032	R	78.9	Confident	88.3	Confident	185 Å²	185	39.1 Å²	39.1	70%	0.698	20%	0.203	S	C	*	.	S	Bend	trans	-127.9	162.1	-178.3	-74.1	-177.3	-178.9	-176.6	4	109.5	D1029	D1029-R1032 HydrophobicContact CB-CB 3.98Å; D1029-R1032 VanDerWaalsContact CB-O 3.29Å; D1029-R1032 WeakPolarHBondContact CB-O 3.35Å; D1029-R1032 WeakPolarHBondContact OD2-CB 3.38Å
1033	P	81.2	Confident	88.2	Confident	104 Å²	104	39 Å²	39	68%	0.675	20%	0.202	S	C	*	.	P	Polyproline II helix	trans	-65.5	138.6	168.8	27.2	-32.9	0	0	0	110.1	D1035	P1033-D1035 PolarHBondContact O-N 2.92Å
1034	D	86.6	Confident	88.1	Confident	50 Å²	50	39 Å²	39	27%	0.267	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-47.5	132.3	179	-54.3	-36.7	0	0	0	112.8	F971 L1026 D1027 H1028 D1029	F971-D1034 HydrophobicContact CE1-CB 4.2Å; F971-D1034 HydrophobicContact CZ-CB 4.41Å; F971-D1034 WeakPolarHBondContact CZ-OD2 3.17Å; L1026-D1034 HydrophobicContact CB-CB 4.33Å; L1026-D1034 HydrophobicContact CD2-CB 4.49Å; D1027-D1034 CarbonylContact O-C 3.51Å; D1027-D1034 WeakPolarHBondContact O-CA 3.18Å; D1027-D1034 WeakPolarHBondContact O-CB 3.46Å; H1028-D1034 WeakPolarHBondContact CA-OD1 3.49Å; H1028-D1034 IonicContact CE1-OD1 3.89Å; H1028-D1034 IonicContact CG-OD1 3.16Å; H1028-D1034 IonicContact ND1-OD1 3.01Å; H1028-D1034 PolarHBondContact ND1-OD1 2.95Å; D1029-D1034 PolarHBondContact N-OD1 2.84Å
1035	D	86.2	Confident	87.8	Confident	66 Å²	66	43.2 Å²	43.2	35%	0.353	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	145.6	-177.8	-87	-27	0	0	0	111.4	M962 L1026 D1027 P1033	M962-D1035 HydrophobicContact CB-CB 4.43Å; M962-D1035 HydrophobicContact CG-CB 4.44Å; L1026-D1035 CarbonylContact C-O 3.54Å; L1026-D1035 VanDerWaalsContact CA-O 3.25Å; L1026-D1035 WeakPolarHBondContact CA-O 3.32Å; D1027-D1035 HydrophobicContact CB-CB 4.15Å; D1027-D1035 PolarHBondContact N-O 2.62Å; D1027-D1035 PolarHBondContact O-N 3.26Å; D1027-D1035 VanDerWaalsContact O-N 3.1Å; P1033-D1035 PolarHBondContact O-N 2.92Å
1036	F	89.8	Confident	87.5	Confident	4 Å²	4	46.5 Å²	46.5	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	115.2	-173.4	176.1	-105	0	0	0	111.9	M962 T1024 L1026 G1038 E1039 H1075 Q1109	M962-F1036 VanDerWaalsContact CE-O 3.24Å; M962-F1036 WeakPolarHBondContact CE-O 3.19Å; T1024-F1036 HydrophobicContact CG2-CD2 3.78Å; T1024-F1036 HydrophobicContact CG2-CE2 3.6Å; L1026-F1036 HydrophobicContact CD2-CB 4.34Å; L1026-F1036 HydrophobicContact CD2-CD2 4.27Å; F1036-G1038 WeakPolarHBondContact CE2-O 3.48Å; F1036-G1038 VanDerWaalsContact CZ-CA 3.48Å; F1036-E1039 HydrophobicContact CE2-CB 4.03Å; F1036-E1039 HydrophobicContact CZ-CB 3.9Å; F1036-E1039 HydrophobicContact CZ-CG 3.99Å; F1036-H1075 AromaticContact CD1-CE1 3.74Å; F1036-H1075 AromaticContact CE1-CE1 3.75Å; F1036-H1075 AromaticContact CE1-ND1 3.75Å; F1036-Q1109 HydrophobicContact CB-CB 3.67Å; F1036-Q1109 HydrophobicContact CD1-CB 4.46Å; F1036-Q1109 HydrophobicContact CG-CB 4.29Å
1037	E	88.2	Confident	87.3	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-23.9	-179.3	-57.4	-160	162.8	0	0	114.3	L959 M962 S968 V1025 D1027 H1075	L959-E1037 WeakPolarHBondContact CB-OE2 3.38Å; L959-E1037 WeakPolarHBondContact CD1-OE2 3.42Å; M962-E1037 HydrophobicContact CE-CB 4.06Å; M962-E1037 HydrophobicContact CE-CG 3.76Å; M962-E1037 HydrophobicContact CG-CG 3.91Å; S968-E1037 WeakPolarHBondContact CB-OE1 3.21Å; S968-E1037 PolarHBondContact OG-OE1 2.96Å; V1025-E1037 HydrophobicContact CB-CB 4.27Å; V1025-E1037 HydrophobicContact CG1-CB 4.11Å; V1025-E1037 PolarHBondContact O-N 2.89Å; V1025-E1037 VanDerWaalsContact O-N 3.08Å; D1027-E1037 HydrophobicContact CB-CG 4.2Å; E1037-H1075 PolarHBondContact O-NE2 3.18Å
1038	G	90.6	Very high	87.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.9	164	175	0	0	0	0	0	114	V1025 F1036	V1025-G1038 PolarHBondContact N-O 3.49Å; V1025-G1038 PolarHBondContact O-N 2.79Å; F1036-G1038 WeakPolarHBondContact CE2-O 3.48Å; F1036-G1038 VanDerWaalsContact CZ-CA 3.48Å
1039	E	93.3	Very high	86.8	Confident	5 Å²	5	44.6 Å²	44.6	2%	0.023	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	150.3	172.2	67.9	-179	169.3	0	0	112	I1023 F1036 F1041 M1074 R1103	I1023-E1039 CarbonylContact O-C 3.56Å; I1023-E1039 WeakPolarHBondContact O-CA 3.16Å; F1036-E1039 HydrophobicContact CE2-CB 4.03Å; F1036-E1039 HydrophobicContact CZ-CB 3.9Å; F1036-E1039 HydrophobicContact CZ-CG 3.99Å; E1039-F1041 HydrophobicContact CG-CE2 3.75Å; E1039-F1041 HydrophobicContact CG-CZ 3.91Å; E1039-F1041 WeakPolarHBondContact OE1-CZ 3.09Å; E1039-M1074 PolarHBondContact N-O 3.1Å; E1039-M1074 WeakPolarHBondContact O-CA 3.44Å; E1039-M1074 WeakPolarHBondContact O-CB 3.33Å; E1039-M1074 PolarHBondContact O-N 3.12Å; E1039-R1103 IonicContact OE1-NH1 3.66Å; E1039-R1103 PolarHBondContact OE1-NH1 3.27Å; E1039-R1103 IonicContact OE2-NH1 3.64Å; E1039-R1103 PolarHBondContact OE2-NH1 3.13Å
1040	A	93.4	Very high	86.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	153	172.9	0	0	0	0	0	110.6	Q925 V936 I1023 L1071 L1073	Q925-A1040 VanDerWaalsContact OE1-CA 3.29Å; V936-A1040 HydrophobicContact CG1-CB 4.46Å; I1023-A1040 HydrophobicContact CB-CB 4.43Å; I1023-A1040 PolarHBondContact N-O 3.06Å; I1023-A1040 PolarHBondContact O-N 2.89Å; A1040-L1071 HydrophobicContact CB-CB 3.78Å; A1040-L1071 HydrophobicContact CB-CD1 4.24Å; A1040-L1073 HydrophobicContact CB-CD2 4.31Å
1041	F	94.2	Very high	86.3	Confident	5 Å²	5	41.1 Å²	41.1	2%	0.022	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	109.6	-174.9	-59.9	-91.8	0	0	0	111.4	F918 K921 Q925 V1022 E1039	F918-F1041 HydrophobicContact CD1-CD1 4.46Å; F918-F1041 HydrophobicContact CD1-CE1 4.33Å; F918-F1041 HydrophobicContact CE1-CE1 4.25Å; K921-F1041 HydrophobicContact CB-CD1 4.08Å; K921-F1041 HydrophobicContact CB-CD2 4.15Å; K921-F1041 HydrophobicContact CB-CE1 4.13Å; K921-F1041 HydrophobicContact CB-CE2 4.2Å; K921-F1041 HydrophobicContact CB-CG 4.09Å; K921-F1041 HydrophobicContact CB-CZ 4.19Å; K921-F1041 HydrophobicContact CD-CE2 4.09Å; K921-F1041 HydrophobicContact CD-CZ 4.17Å; K921-F1041 HydrophobicContact CG-CE1 4.43Å; K921-F1041 HydrophobicContact CG-CE2 4.46Å; K921-F1041 HydrophobicContact CG-CZ 4.22Å; Q925-F1041 HydrophobicContact CB-CB 4.32Å; Q925-F1041 WeakPolarHBondContact CG-O 3.24Å; V1022-F1041 HydrophobicContact CG1-CD1 4.38Å; V1022-F1041 HydrophobicContact CG1-CE1 4.05Å; V1022-F1041 HydrophobicContact CG2-CD1 3.81Å; V1022-F1041 HydrophobicContact CG2-CE1 3.87Å; E1039-F1041 HydrophobicContact CG-CE2 3.75Å; E1039-F1041 HydrophobicContact CG-CZ 3.91Å; E1039-F1041 WeakPolarHBondContact OE1-CZ 3.09Å
1042	L	92.4	Very high	85.9	Confident	7 Å²	7	37.8 Å²	37.8	4%	0.037	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.2	174.6	177.1	60.4	0	0	0	110.1	A940 C1020 L1021 I1023 L1044 V1047 I1069 L1071	A940-L1042 HydrophobicContact CB-CD2 4.3Å; C1020-L1042 CarbonylContact C-O 3.53Å; C1020-L1042 WeakPolarHBondContact CA-O 3.17Å; C1020-L1042 WeakPolarHBondContact CB-O 2.85Å; L1021-L1042 HydrophobicContact CB-CB 4.26Å; L1021-L1042 HydrophobicContact CD2-CD2 4.38Å; L1021-L1042 PolarHBondContact N-O 3.46Å; L1021-L1042 PolarHBondContact O-N 3.28Å; I1023-L1042 HydrophobicContact CD1-CB 4Å; L1042-L1044 PolarHBondContact O-N 2.75Å; L1042-V1047 HydrophobicContact CD2-CG2 4.08Å; L1042-V1047 HydrophobicContact CG-CG2 4.33Å; L1042-I1069 HydrophobicContact CD1-CD1 3.83Å; L1042-I1069 HydrophobicContact CD1-CG2 4.26Å; L1042-I1069 HydrophobicContact CD2-CD1 4Å; L1042-L1071 HydrophobicContact CB-CD1 3.96Å
1043	A	92.4	Very high	84.7	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.008	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	131.9	173.5	0	0	0	0	0	109.7	I922 E1045 D1046	I922-A1043 HydrophobicContact CD1-CB 4.18Å; I922-A1043 HydrophobicContact CG1-CB 4.41Å; I922-A1043 HydrophobicContact CG2-CB 3.56Å; A1043-E1045 HydrophobicContact CB-CG 3.77Å; A1043-E1045 PolarHBondContact O-N 3.24Å; A1043-D1046 HydrophobicContact CB-CB 4.2Å; A1043-D1046 VanDerWaalsContact CB-OD2 3.28Å; A1043-D1046 WeakPolarHBondContact CB-OD2 3.2Å; A1043-D1046 PolarHBondContact O-N 3.18Å
1044	L	90.9	Very high	83.1	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-69.5	-27.8	177.6	-61.4	-177	0	0	0	111.8	L949 L976 F982 C1014 A1019 L1021 L1042 D1046 V1047 V1050	L949-L1044 HydrophobicContact CD2-CD2 3.81Å; L976-L1044 HydrophobicContact CD2-CD1 4.01Å; L976-L1044 HydrophobicContact CD2-CD2 3.88Å; F982-L1044 HydrophobicContact CE1-CD1 4.23Å; F982-L1044 HydrophobicContact CE2-CD1 4.09Å; F982-L1044 HydrophobicContact CZ-CD1 3.5Å; F982-L1044 VanDerWaalsContact CZ-CD1 3.5Å; C1014-L1044 HydrophobicContact CB-CB 4.04Å; C1014-L1044 HydrophobicContact CB-CD1 4.46Å; A1019-L1044 HydrophobicContact CB-CD1 4.1Å; A1019-L1044 PolarHBondContact O-N 3.12Å; A1019-L1044 VanDerWaalsContact O-N 3.12Å; L1021-L1044 HydrophobicContact CB-CD2 3.97Å; L1042-L1044 PolarHBondContact O-N 2.75Å; L1044-D1046 PolarHBondContact O-N 2.84Å; L1044-V1047 PolarHBondContact O-N 3.06Å; L1044-V1050 WeakPolarHBondContact O-CB 3.27Å; L1044-V1050 WeakPolarHBondContact O-CG2 3.36Å
1045	E	87.9	Confident	81.2	Confident	93 Å²	93	43.2 Å²	43.2	44%	0.435	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-62	-25.8	173.2	59.7	176.2	-161.4	0	0	113.6	R926 A1043 S1051	R926-E1045 IonicContact CZ-OE1 3.85Å; R926-E1045 IonicContact NH1-OE1 3.54Å; R926-E1045 IonicContact NH2-OE1 3.46Å; R926-E1045 PolarHBondContact NH2-OE1 3.32Å; A1043-E1045 HydrophobicContact CB-CG 3.77Å; A1043-E1045 PolarHBondContact O-N 3.24Å; E1045-S1051 WeakPolarHBondContact O-CB 3.2Å; E1045-S1051 PolarHBondContact O-OG 3.27Å
1046	D	86.9	Confident	79.2	Confident	68 Å²	68	48.7 Å²	48.7	36%	0.364	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-86.4	-7.2	-179.3	-64.6	-21.2	0	0	0	112.5	R926 A1043 L1044	R926-D1046 IonicContact CZ-OD1 2.81Å; R926-D1046 IonicContact CZ-OD2 3.59Å; R926-D1046 IonicContact NE-OD2 2.73Å; R926-D1046 PolarHBondContact NE-OD2 3.23Å; R926-D1046 IonicContact NH2-OD1 3.67Å; R926-D1046 PolarHBondContact NH2-OD1 2.47Å; R926-D1046 IonicContact NH2-OD2 3.41Å; R926-D1046 PolarHBondContact NH2-OD2 3.36Å; A1043-D1046 HydrophobicContact CB-CB 4.2Å; A1043-D1046 VanDerWaalsContact CB-OD2 3.28Å; A1043-D1046 WeakPolarHBondContact CB-OD2 3.2Å; A1043-D1046 PolarHBondContact O-N 3.18Å; L1044-D1046 PolarHBondContact O-N 2.84Å
1047	V	88.4	Confident	77.1	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.304	C	S	.	.	S	Bend	trans	-76.1	130.2	-178.8	179.2	0	0	0	0	110.2	A940 L949 L1042 L1044 G1049 V1050	A940-V1047 HydrophobicContact CB-CG1 4.08Å; A940-V1047 HydrophobicContact CB-CG2 4.46Å; L949-V1047 HydrophobicContact CD1-CB 4.39Å; L949-V1047 HydrophobicContact CD1-CG1 3.79Å; L949-V1047 HydrophobicContact CD1-CG2 4.27Å; L1042-V1047 HydrophobicContact CD2-CG2 4.08Å; L1042-V1047 HydrophobicContact CG-CG2 4.33Å; L1044-V1047 PolarHBondContact O-N 3.06Å; V1047-G1049 PolarHBondContact O-N 3.46Å; V1047-V1050 HydrophobicContact CB-CG2 4.07Å; V1047-V1050 WeakPolarHBondContact O-CB 3.49Å; V1047-V1050 PolarHBondContact O-N 3.05Å
1048	P	83.8	Confident	74.9	Confident	22 Å²	22	64.3 Å²	64.3	14%	0.143	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	133.5	175.8	-24.3	30.4	0	0	0	112.3	Y942 E1067	Y942-P1048 PolarHBondContact N-O 2.85Å; P1048-E1067 HydrophobicContact CG-CB 3.49Å; P1048-E1067 VanDerWaalsContact CG-CB 3.49Å; P1048-E1067 HydrophobicContact CG-CG 4.47Å; P1048-E1067 VanDerWaalsContact CG-OE2 3.24Å; P1048-E1067 WeakPolarHBondContact CG-OE2 3.45Å
1049	G	80.4	Confident	72.6	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.01	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	-6.6	-173.6	0	0	0	0	0	115.5	Y942 R944 V1047	Y942-G1049 WeakPolarHBondContact CD1-O 3.43Å; R944-G1049 PolarHBondContact NE-O 3.49Å; R944-G1049 PolarHBondContact NH1-O 3.44Å; R944-G1049 PolarHBondContact NH2-O 3.05Å; V1047-G1049 PolarHBondContact O-N 3.46Å
1050	V	83	Confident	70.4	Confident	2 Å²	2	77 Å²	77	1%	0.012	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-46.1	171.8	179.7	0	0	0	0	111.3	Y942 R944 L1011 C1014 Q1015 L1044 V1047	Y942-V1050 VanDerWaalsContact CB-CG2 3.47Å; Y942-V1050 HydrophobicContact CD1-CG2 3.97Å; Y942-V1050 HydrophobicContact CD2-CG2 4.26Å; Y942-V1050 HydrophobicContact CG-CG2 3.64Å; R944-V1050 PolarHBondContact NH2-O 2.87Å; L1011-V1050 HydrophobicContact CD1-CG1 4.01Å; L1011-V1050 WeakPolarHBondContact CD1-O 3.47Å; C1014-V1050 HydrophobicContact CB-CG1 3.79Å; C1014-V1050 HydrophobicContact CB-CG2 4.43Å; Q1015-V1050 HydrophobicContact CG-CG1 4.38Å; L1044-V1050 WeakPolarHBondContact O-CB 3.27Å; L1044-V1050 WeakPolarHBondContact O-CG2 3.36Å; V1047-V1050 HydrophobicContact CB-CG2 4.07Å; V1047-V1050 WeakPolarHBondContact O-CB 3.49Å; V1047-V1050 PolarHBondContact O-N 3.05Å
1051	S	69.4	Low	68.2	Low	79 Å²	79	86 Å²	86	55%	0.552	46%	0.461	S	S	*	.	S	Bend	trans	-96.8	-1.5	-170	32.3	0	0	0	0	115.7	E1045 Q1053	E1045-S1051 WeakPolarHBondContact O-CB 3.2Å; E1045-S1051 PolarHBondContact O-OG 3.27Å; S1051-Q1053 PolarHBondContact O-N 3.4Å
1052	E	65.1	Low	66.1	Low	101 Å²	101	94.3 Å²	94.3	47%	0.472	50%	0.502	S	S	.	.			trans	-70.1	129.6	178.2	-52.4	165.5	164.3	0	0	110.9	R944	R944-E1052 IonicContact CZ-OE2 3.45Å; R944-E1052 IonicContact NH1-OE2 3.78Å; R944-E1052 PolarHBondContact NH1-OE2 3.17Å; R944-E1052 VanDerWaalsContact NH2-N 3.13Å; R944-E1052 PolarHBondContact NH2-O 3.08Å
1053	Q	55.3	Low	64.5	Low	184 Å²	184	98.2 Å²	98.2	86%	0.86	52%	0.523	S	S	*	.			trans	-74.8	139.9	-177.9	-66.6	-178.9	-13.5	0	0	111.5	S1051 G1055	S1051-Q1053 PolarHBondContact O-N 3.4Å; Q1053-G1055 PolarHBondContact O-N 2.95Å
1054	E	47.2	Very low	63.2	Low	202 Å²	202	99.6 Å²	99.6	94%	0.944	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	71.1	174.7	-65.6	-179.2	154.3	0	0	111.8
1055	G	46.5	Very low	62.3	Low	68 Å²	68	103.5 Å²	103.5	70%	0.701	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.5	-7.8	-174.3	0	0	0	0	0	117.7	Q1053	Q1053-G1055 PolarHBondContact O-N 2.95Å
1056	E	44.1	Very low	61.8	Low	180 Å²	180	101.9 Å²	101.9	84%	0.841	56%	0.562	S	S	*	*			trans	-111.5	100.7	175	-67.9	-168.7	167.5	0	0	110.3	V1058	E1056-V1058 PolarHBondContact O-N 2.9Å
1057	E	44.8	Very low	61.7	Low	206 Å²	206	103.5 Å²	103.5	96%	0.963	57%	0.567	S	S	*	*			trans	-63.3	93.8	168.8	-69.2	-177.2	165.9	0	0	109.6
1058	V	43	Very low	61.8	Low	127 Å²	127	109.8 Å²	109.8	77%	0.77	60%	0.596	S	S	*	*			trans	-126.2	135.4	161.7	-175.1	0	0	0	0	107.5	E1056	E1056-V1058 PolarHBondContact O-N 2.9Å
1059	D	41.2	Very low	62.2	Low	147 Å²	147	109.9 Å²	109.9	79%	0.786	60%	0.596	S	S	*	*			trans	-30.8	138	-171.7	-92.7	-38.7	0	0	0	116.4	Q1061	D1059-Q1061 PolarHBondContact O-N 3.48Å
1060	S	47.6	Very low	62.7	Low	125 Å²	125	114.7 Å²	114.7	87%	0.874	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	35.8	-172.6	-29.4	0	0	0	0	115.7
1061	Q	46.7	Very low	63.2	Low	188 Å²	188	115.4 Å²	115.4	88%	0.879	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.5	11.7	-170.3	-113.1	166.8	-1.2	0	0	117.1	D1059	D1059-Q1061 PolarHBondContact O-N 3.48Å
1062	M	50.8	Low	64.3	Low	180 Å²	180	112.4 Å²	112.4	89%	0.887	60%	0.596	S	S	*	*			trans	-115.2	102.6	166.7	-100.1	167.8	72.7	0	0	110.3
1063	D	59.8	Low	65.6	Low	89 Å²	89	107.6 Å²	107.6	48%	0.476	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-50.5	136	160.3	-73.5	-37.8	0	0	0	108.9	R943 A1065	R943-D1063 WeakPolarHBondContact CG-OD1 3.21Å; R943-D1063 IonicContact CZ-OD1 3.85Å; R943-D1063 IonicContact CZ-OD2 2.69Å; R943-D1063 VanDerWaalsContact NE-CG 3.25Å; R943-D1063 IonicContact NE-OD1 2.78Å; R943-D1063 PolarHBondContact NE-OD1 3.42Å; R943-D1063 IonicContact NE-OD2 3.84Å; R943-D1063 PolarHBondContact NE-OD2 2.95Å; R943-D1063 IonicContact NH2-OD2 3.57Å; R943-D1063 PolarHBondContact NH2-OD2 2.95Å; D1063-A1065 PolarHBondContact O-N 3.26Å
1064	S	63.8	Low	67.3	Low	29 Å²	29	100.2 Å²	100.2	20%	0.203	54%	0.539	C	S	.	.	P	Polyproline II helix	trans	-54.3	127.1	174.2	42.9	0	0	0	0	109.2
1065	A	71.6	Confident	69.2	Low	82 Å²	82	91.2 Å²	91.2	68%	0.678	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-59.9	131.4	-176.6	0	0	0	0	0	109	D1063 E1067	D1063-A1065 PolarHBondContact O-N 3.26Å; A1065-E1067 PolarHBondContact O-N 3.42Å
1066	P	79.3	Confident	71.1	Confident	59 Å²	59	88.4 Å²	88.4	38%	0.383	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-67.8	129.9	-174.1	33.7	-40.9	0	0	0	110	L939	L939-P1066 HydrophobicContact CD2-CB 3.55Å; L939-P1066 HydrophobicContact CD2-CG 3.34Å; L939-P1066 HydrophobicContact CG-CB 3.63Å; L939-P1066 HydrophobicContact CG-CG 3.95Å
1067	E	85.1	Confident	72.8	Confident	103 Å²	103	84.5 Å²	84.5	48%	0.481	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	137.6	-174	-178.9	176	-170.1	0	0	110.7	L939 A940 P1048 A1065 I1069	L939-E1067 CarbonylContact C-O 3.53Å; L939-E1067 VanDerWaalsContact CA-O 3.3Å; L939-E1067 WeakPolarHBondContact CA-O 3.44Å; A940-E1067 PolarHBondContact N-O 2.75Å; A940-E1067 PolarHBondContact O-N 3.33Å; P1048-E1067 HydrophobicContact CG-CB 3.49Å; P1048-E1067 VanDerWaalsContact CG-CB 3.49Å; P1048-E1067 HydrophobicContact CG-CG 4.47Å; P1048-E1067 VanDerWaalsContact CG-OE2 3.24Å; P1048-E1067 WeakPolarHBondContact CG-OE2 3.45Å; A1065-E1067 PolarHBondContact O-N 3.42Å; E1067-I1069 HydrophobicContact CG-CG1 4.23Å; E1067-I1069 PolarHBondContact O-N 3.08Å
1068	Q	90.1	Very high	74.2	Confident	131 Å²	131	75.8 Å²	75.8	61%	0.612	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	109.8	175.8	-170.6	177.9	-3.4	0	0	110.5	T937 L938 L939 L954	T937-Q1068 HydrophobicContact CG2-CG 3.64Å; L938-Q1068 CarbonylContact O-C 3.44Å; L938-Q1068 WeakPolarHBondContact O-CA 3.49Å; L939-Q1068 HydrophobicContact CD1-CB 3.86Å; L939-Q1068 HydrophobicContact CD1-CG 4.49Å; L954-Q1068 HydrophobicContact CD1-CG 4.13Å
1069	I	91.4	Very high	75.5	Confident	25 Å²	25	74.4 Å²	74.4	13%	0.128	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	119.6	-177	-51.5	178.4	0	0	0	109	T937 L938 A940 L1042 E1067 L1071	T937-I1069 WeakPolarHBondContact CA-O 3.5Å; L938-I1069 PolarHBondContact N-O 3.38Å; L938-I1069 PolarHBondContact O-N 3.21Å; A940-I1069 HydrophobicContact CB-CD1 3.94Å; L1042-I1069 HydrophobicContact CD1-CD1 3.83Å; L1042-I1069 HydrophobicContact CD1-CG2 4.26Å; L1042-I1069 HydrophobicContact CD2-CD1 4Å; E1067-I1069 HydrophobicContact CG-CG1 4.23Å; E1067-I1069 PolarHBondContact O-N 3.08Å; I1069-L1071 HydrophobicContact CG2-CD1 4.39Å; I1069-L1071 HydrophobicContact CG2-CD2 3.86Å; I1069-L1071 HydrophobicContact CG2-CG 3.91Å
1070	R	92	Very high	77.1	Confident	102 Å²	102	72.1 Å²	72.1	39%	0.385	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	121.1	173.1	-174.6	177.2	179.2	89.8	-4.1	109.6	E931 A935 T937	E931-R1070 IonicContact OE1-CZ 3.27Å; E931-R1070 IonicContact OE1-NE 3.82Å; E931-R1070 PolarHBondContact OE1-NE 3.36Å; E931-R1070 IonicContact OE1-NH2 3.42Å; E931-R1070 PolarHBondContact OE1-NH2 3.49Å; E931-R1070 IonicContact OE2-CZ 2.62Å; E931-R1070 IonicContact OE2-NE 3.39Å; E931-R1070 IonicContact OE2-NH2 2.73Å; E931-R1070 PolarHBondContact OE2-NH2 3.18Å; A935-R1070 HydrophobicContact CB-CG 4.24Å; T937-R1070 HydrophobicContact CG2-CB 4.33Å; T937-R1070 PolarHBondContact OG1-NH1 2.98Å
1071	L	92.3	Very high	78.6	Confident	16 Å²	16	66.5 Å²	66.5	8%	0.084	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	114.7	-178.1	-62.6	171	0	0	0	110.2	Q925 A935 V936 L938 I1023 A1040 L1042 I1069	Q925-L1071 HydrophobicContact CG-CD2 4.29Å; A935-L1071 WeakPolarHBondContact CA-O 3.41Å; V936-L1071 HydrophobicContact CG1-CB 4.15Å; V936-L1071 PolarHBondContact N-O 2.99Å; V936-L1071 PolarHBondContact O-N 2.93Å; L938-L1071 HydrophobicContact CD1-CD1 3.94Å; I1023-L1071 HydrophobicContact CD1-CD1 3.77Å; A1040-L1071 HydrophobicContact CB-CB 3.78Å; A1040-L1071 HydrophobicContact CB-CD1 4.24Å; L1042-L1071 HydrophobicContact CB-CD1 3.96Å; I1069-L1071 HydrophobicContact CG2-CD1 4.39Å; I1069-L1071 HydrophobicContact CG2-CD2 3.86Å; I1069-L1071 HydrophobicContact CG2-CG 3.91Å
1072	P	93.3	Very high	80.1	Confident	17 Å²	17	61.4 Å²	61.4	11%	0.11	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	137.2	170.4	-21.7	32.8	0	0	0	111.1	Q925 Y928 G930 E931	Q925-P1072 PolarHBondContact NE2-O 2.96Å; Y928-P1072 HydrophobicContact CD1-CB 3.93Å; Y928-P1072 HydrophobicContact CE1-CB 4.1Å; G930-P1072 WeakPolarHBondContact O-CB 3.46Å; E931-P1072 HydrophobicContact CG-CB 4.14Å; E931-P1072 HydrophobicContact CG-CG 4.2Å
1073	L	91.9	Very high	81.6	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.288	C	S	.	.			trans	-76.7	135.6	179	-65.6	176.6	0	0	0	110.8	Y933 G934 V936 L959 V1025 A1040	Y933-L1073 WeakPolarHBondContact O-CD1 3.48Å; G934-L1073 PolarHBondContact O-N 3.24Å; V936-L1073 HydrophobicContact CB-CD2 4.45Å; V936-L1073 HydrophobicContact CG1-CD2 4.13Å; L959-L1073 HydrophobicContact CD2-CD1 3.52Å; V1025-L1073 HydrophobicContact CB-CD1 4.09Å; V1025-L1073 HydrophobicContact CG2-CD1 3.76Å; V1025-L1073 HydrophobicContact CG2-CD2 3.67Å; V1025-L1073 HydrophobicContact CG2-CG 4.38Å; A1040-L1073 HydrophobicContact CB-CD2 4.31Å
1074	M	90.6	Very high	82.7	Confident	28 Å²	28	49.4 Å²	49.4	14%	0.138	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-115	150.2	-179.4	-61.4	-175.5	67	0	0	110.9	E924 Q925 Y928 E1039	E924-M1074 HydrophobicContact CB-CE 4.3Å; Q925-M1074 HydrophobicContact CB-SD 4.39Å; Y928-M1074 HydrophobicContact CD1-CE 4.5Å; Y928-M1074 HydrophobicContact CD1-CG 3.57Å; Y928-M1074 HydrophobicContact CD1-SD 4.04Å; Y928-M1074 HydrophobicContact CD2-CE 4.38Å; Y928-M1074 HydrophobicContact CE1-CG 3.76Å; Y928-M1074 HydrophobicContact CG-CE 4.19Å; Y928-M1074 HydrophobicContact CG-CG 4.18Å; Y928-M1074 HydrophobicContact CG-SD 4.12Å; E1039-M1074 PolarHBondContact N-O 3.1Å; E1039-M1074 WeakPolarHBondContact O-CA 3.44Å; E1039-M1074 WeakPolarHBondContact O-CB 3.33Å; E1039-M1074 PolarHBondContact O-N 3.12Å
1075	H	88.6	Confident	83.5	Confident	14 Å²	14	52.8 Å²	52.8	7%	0.065	28%	0.277	C	S	.	.			trans	-109.5	137.2	172.2	-91.6	-100.1	0	0	0	109.8	Y933 F1036 E1037 S1110 Q1111 E1112	Y933-H1075 AromaticContact CD1-CD2 3.44Å; Y933-H1075 VanDerWaalsContact CD1-CD2 3.44Å; Y933-H1075 WeakPolarHBondContact CD1-CD2 3.3Å; Y933-H1075 AromaticContact CD1-NE2 3.73Å; Y933-H1075 HydrophobicContact CD2-CB 4.32Å; Y933-H1075 AromaticContact CD2-CD2 3.54Å; Y933-H1075 AromaticContact CE1-CD2 3.74Å; Y933-H1075 HydrophobicContact CE2-CB 3.91Å; Y933-H1075 AromaticContact CE2-CD2 3.87Å; Y933-H1075 AromaticContact CG-CD2 3.3Å; Y933-H1075 AromaticContact CG-NE2 3.9Å; Y933-H1075 AromaticContact CZ-CD2 3.93Å; F1036-H1075 AromaticContact CD1-CE1 3.74Å; F1036-H1075 AromaticContact CE1-CE1 3.75Å; F1036-H1075 AromaticContact CE1-ND1 3.75Å; E1037-H1075 PolarHBondContact O-NE2 3.18Å; H1075-S1110 WeakPolarHBondContact CB-OG 3.43Å; H1075-S1110 WeakPolarHBondContact ND1-CA 3.29Å; H1075-S1110 PolarHBondContact ND1-OG 2.83Å; H1075-S1110 VanDerWaalsContact ND1-OG 3.12Å; H1075-Q1111 PolarHBondContact CE1-N 3.42Å; H1075-Q1111 PolarHBondContact ND1-N 3.4Å; H1075-Q1111 VanDerWaalsContact ND1-N 3.1Å; H1075-E1112 HydrophobicContact CB-CG 3.92Å
1076	P	84.4	Confident	83.9	Confident	9 Å²	9	49.9 Å²	49.9	6%	0.058	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-75.2	131	175.3	28	-31.1	0	0	0	110.3	R1106 E1107 S1110	P1076-R1106 HydrophobicContact CG-CB 4.28Å; P1076-E1107 HydrophobicContact CB-CG 3.92Å; P1076-E1107 HydrophobicContact CG-CG 4.36Å; P1076-S1110 VanDerWaalsContact O-CB 3.24Å; P1076-S1110 WeakPolarHBondContact O-CB 3.25Å; P1076-S1110 PolarHBondContact O-OG 3.31Å
1077	K	81.2	Confident	84	Confident	97 Å²	97	47 Å²	47	42%	0.422	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-79.1	134.4	174.2	-69.8	178.9	-174.4	164.6	0	111	N1079 E1080 E1112	K1077-N1079 PolarHBondContact O-N 3.25Å; K1077-E1080 HydrophobicContact CB-CB 4.12Å; K1077-E1080 WeakPolarHBondContact CB-OE2 3.49Å; K1077-E1080 VanDerWaalsContact CD-OE2 3.31Å; K1077-E1080 WeakPolarHBondContact CD-OE2 3.44Å; K1077-E1112 WeakPolarHBondContact CG-OE2 3.29Å
1078	P	74.7	Confident	83.8	Confident	24 Å²	24	45 Å²	45	16%	0.156	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	135	177.8	26.6	-35.1	0	0	0	111.8	E1080 A1113 Q1116	P1078-E1080 PolarHBondContact O-N 3.45Å; P1078-E1080 VanDerWaalsContact O-N 3.12Å; P1078-A1113 HydrophobicContact CG-CB 4.42Å; P1078-Q1116 VanDerWaalsContact CG-OE1 3.24Å
1079	N	68.9	Low	83.1	Confident	97 Å²	97	41.5 Å²	41.5	52%	0.519	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	16.6	171.5	-73.4	-34.7	0	0	0	117.6	K1077 K1085 E1107	K1077-N1079 PolarHBondContact O-N 3.25Å; N1079-K1085 WeakPolarHBondContact O-CE 3.24Å; N1079-K1085 PolarHBondContact O-NZ 2.95Å; N1079-E1107 PolarHBondContact N-OE2 2.96Å
1080	E	74.7	Confident	82.5	Confident	100 Å²	100	41.3 Å²	41.3	47%	0.467	21%	0.209	S	C	.	.			trans	-79.1	-34.2	-178.1	-167.7	177.5	-153.2	0	0	112.9	K1077 P1078	K1077-E1080 HydrophobicContact CB-CB 4.12Å; K1077-E1080 WeakPolarHBondContact CB-OE2 3.49Å; K1077-E1080 VanDerWaalsContact CD-OE2 3.31Å; K1077-E1080 WeakPolarHBondContact CD-OE2 3.44Å; P1078-E1080 PolarHBondContact O-N 3.45Å; P1078-E1080 VanDerWaalsContact O-N 3.12Å
1081	D	78.7	Confident	81.6	Confident	7 Å²	7	46.3 Å²	46.3	4%	0.037	23%	0.228	C	C	.	.			trans	-87	119.2	-168.3	-156	-40.1	0	0	0	114.1	F917 R920 I1083 L1084 K1085	F917-D1081 VanDerWaalsContact CD2-OD2 3.24Å; F917-D1081 WeakPolarHBondContact CD2-OD2 3.5Å; F917-D1081 HydrophobicContact CE2-CB 4.38Å; F917-D1081 VanDerWaalsContact CE2-OD2 3.27Å; F917-D1081 WeakPolarHBondContact CE2-OD2 3.22Å; R920-D1081 IonicContact NH1-OD1 3.26Å; R920-D1081 PolarHBondContact NH1-OD1 3.35Å; R920-D1081 IonicContact NH1-OD2 3.71Å; D1081-I1083 VanDerWaalsContact OD1-CB 3.31Å; D1081-I1083 WeakPolarHBondContact OD1-CB 3.4Å; D1081-I1083 PolarHBondContact OD1-N 3.36Å; D1081-L1084 HydrophobicContact CB-CB 3.92Å; D1081-L1084 PolarHBondContact O-N 3.35Å; D1081-K1085 WeakPolarHBondContact O-CG 3.42Å; D1081-K1085 PolarHBondContact O-N 2.96Å
1082	S	78.7	Confident	80.4	Confident	80 Å²	80	48.7 Å²	48.7	56%	0.559	26%	0.256	S	S	*	.	H	α-helix	trans	-69.9	-29.5	176.1	58	0	0	0	0	113.4	L1086	S1082-L1086 WeakPolarHBondContact O-CB 3.07Å; S1082-L1086 PolarHBondContact O-N 3.42Å
1083	I	83.5	Confident	79.8	Confident	17 Å²	17	51.1 Å²	51.1	9%	0.087	27%	0.266	C	S	.	.	H	α-helix	trans	-69.1	-41.4	175.8	-60.7	172.9	0	0	0	109.6	L913 K916 F917 D1081 L1086 L1087	L913-I1083 HydrophobicContact CB-CG2 4.07Å; L913-I1083 HydrophobicContact CD2-CG2 4.31Å; L913-I1083 VanDerWaalsContact O-CG2 3.28Å; L913-I1083 WeakPolarHBondContact O-CG2 3.15Å; K916-I1083 HydrophobicContact CB-CD1 4.21Å; K916-I1083 HydrophobicContact CD-CD1 4.26Å; K916-I1083 HydrophobicContact CG-CD1 3.86Å; F917-I1083 HydrophobicContact CB-CG2 4.03Å; D1081-I1083 VanDerWaalsContact OD1-CB 3.31Å; D1081-I1083 WeakPolarHBondContact OD1-CB 3.4Å; D1081-I1083 PolarHBondContact OD1-N 3.36Å; I1083-L1086 WeakPolarHBondContact O-CB 3.04Å; I1083-L1086 PolarHBondContact O-N 2.62Å; I1083-L1087 HydrophobicContact CG2-CD1 4.22Å; I1083-L1087 PolarHBondContact O-N 3.2Å
1084	L	82.6	Confident	79.2	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-67	-40.5	178.6	-165.7	60.6	0	0	0	111.7	D1081 L1086 L1087 E1088 F1099 V1100 R1103 R1104 E1107	D1081-L1084 HydrophobicContact CB-CB 3.92Å; D1081-L1084 PolarHBondContact O-N 3.35Å; L1084-L1086 VanDerWaalsContact C-N 3.3Å; L1084-L1086 PolarHBondContact O-N 3.31Å; L1084-L1087 PolarHBondContact O-N 3.05Å; L1084-E1088 WeakPolarHBondContact O-CG 3.27Å; L1084-E1088 PolarHBondContact O-N 2.98Å; L1084-F1099 HydrophobicContact CD1-CD1 4.3Å; L1084-F1099 HydrophobicContact CD1-CE1 4.12Å; L1084-V1100 HydrophobicContact CD1-CB 4.48Å; L1084-V1100 HydrophobicContact CD1-CG2 3.96Å; L1084-R1103 HydrophobicContact CD1-CB 3.92Å; L1084-R1103 HydrophobicContact CD1-CG 4.39Å; L1084-R1103 HydrophobicContact CD2-CB 3.94Å; L1084-R1104 VanDerWaalsContact CD2-NH1 3.27Å; L1084-E1107 WeakPolarHBondContact CD2-OE1 3.24Å
1085	K	80.3	Confident	78.8	Confident	101 Å²	101	64.5 Å²	64.5	44%	0.439	32%	0.318	S	S	.	.	H	α-helix	trans	-61.9	-34.8	171.1	-71.6	175.9	-175.3	168.9	0	112.8	N1079 D1081 E1088 S1089	N1079-K1085 WeakPolarHBondContact O-CE 3.24Å; N1079-K1085 PolarHBondContact O-NZ 2.95Å; D1081-K1085 WeakPolarHBondContact O-CG 3.42Å; D1081-K1085 PolarHBondContact O-N 2.96Å; K1085-E1088 WeakPolarHBondContact O-CB 3Å; K1085-S1089 PolarHBondContact O-N 3.4Å
1086	L	78.9	Confident	78.5	Confident	20 Å²	20	63.8 Å²	63.8	11%	0.105	32%	0.315	C	S	.	.	H	α-helix	trans	-71.6	-43.1	176.5	-177.2	63.5	0	0	0	111.7	H905 H906 L913 S1082 I1083 L1084 E1088 S1089	H905-L1086 WeakPolarHBondContact O-CD2 3.49Å; H906-L1086 VanDerWaalsContact CE1-CD1 3.46Å; H906-L1086 WeakPolarHBondContact CE1-CD1 3.25Å; H906-L1086 WeakPolarHBondContact ND1-CD1 3.28Å; L913-L1086 HydrophobicContact CD1-CD2 3.6Å; L913-L1086 HydrophobicContact CD1-CG 3.88Å; L913-L1086 HydrophobicContact CD2-CD2 3.79Å; L913-L1086 HydrophobicContact CG-CD2 4.38Å; S1082-L1086 WeakPolarHBondContact O-CB 3.07Å; S1082-L1086 PolarHBondContact O-N 3.42Å; I1083-L1086 WeakPolarHBondContact O-CB 3.04Å; I1083-L1086 PolarHBondContact O-N 2.62Å; L1084-L1086 VanDerWaalsContact C-N 3.3Å; L1084-L1086 PolarHBondContact O-N 3.31Å; L1086-E1088 VanDerWaalsContact C-N 3.29Å; L1086-E1088 PolarHBondContact O-N 3.08Å; L1086-S1089 WeakPolarHBondContact O-CB 3.24Å; L1086-S1089 PolarHBondContact O-N 3.13Å; L1086-S1089 PolarHBondContact O-OG 3.44Å
1087	L	81.7	Confident	78.6	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-62.8	-36.2	174.2	-74.3	168.2	0	0	0	111.6	L913 I914 I1083 L1084 S1089 R1090 A1096 Q1097 F1099 V1100	L913-L1087 HydrophobicContact CB-CD1 4.24Å; L913-L1087 HydrophobicContact CB-CD2 3.79Å; L913-L1087 HydrophobicContact CB-CG 4.03Å; L913-L1087 HydrophobicContact CD1-CD2 3.82Å; L913-L1087 HydrophobicContact CD1-CG 4.07Å; L913-L1087 HydrophobicContact CG-CD2 4.48Å; I914-L1087 HydrophobicContact CG1-CD1 3.87Å; I914-L1087 HydrophobicContact CG1-CD2 4.36Å; I1083-L1087 HydrophobicContact CG2-CD1 4.22Å; I1083-L1087 PolarHBondContact O-N 3.2Å; L1084-L1087 PolarHBondContact O-N 3.05Å; L1087-S1089 VanDerWaalsContact C-N 3.27Å; L1087-S1089 PolarHBondContact O-N 2.82Å; L1087-R1090 WeakPolarHBondContact O-CB 3.18Å; L1087-R1090 PolarHBondContact O-N 2.97Å; L1087-R1090 VanDerWaalsContact O-N 3.08Å; L1087-A1096 HydrophobicContact CD2-CB 3.94Å; L1087-Q1097 PolarHBondContact O-NE2 2.83Å; L1087-F1099 HydrophobicContact CD1-CD1 3.83Å; L1087-F1099 HydrophobicContact CD1-CE1 3.97Å; L1087-V1100 HydrophobicContact CB-CG2 3.59Å
1088	E	81.8	Confident	78.8	Confident	61 Å²	61	64.5 Å²	64.5	29%	0.285	33%	0.329	S	S	.	.	H	α-helix	trans	-57	-39	173	-89.6	174	165.6	0	0	113.1	L1084 K1085 L1086 R1090 Q1097 V1100 R1104	L1084-E1088 WeakPolarHBondContact O-CG 3.27Å; L1084-E1088 PolarHBondContact O-N 2.98Å; K1085-E1088 WeakPolarHBondContact O-CB 3Å; L1086-E1088 VanDerWaalsContact C-N 3.29Å; L1086-E1088 PolarHBondContact O-N 3.08Å; E1088-R1090 PolarHBondContact O-N 2.81Å; E1088-Q1097 PolarHBondContact O-NE2 3.18Å; E1088-V1100 HydrophobicContact CB-CG1 4.42Å; E1088-V1100 HydrophobicContact CG-CB 4.2Å; E1088-V1100 HydrophobicContact CG-CG1 3.21Å; E1088-V1100 HydrophobicContact CG-CG2 3.91Å; E1088-R1104 WeakPolarHBondContact OE1-CG 3.48Å; E1088-R1104 IonicContact OE1-CZ 3.77Å; E1088-R1104 VanDerWaalsContact OE1-CZ 3.3Å; E1088-R1104 IonicContact OE1-NE 2.63Å; E1088-R1104 PolarHBondContact OE1-NE 3.07Å; E1088-R1104 IonicContact OE1-NH2 3.02Å; E1088-R1104 PolarHBondContact OE1-NH2 3.3Å; E1088-R1104 VanDerWaalsContact OE1-NH2 3.12Å; E1088-R1104 IonicContact OE2-CZ 3.16Å; E1088-R1104 IonicContact OE2-NE 3.88Å; E1088-R1104 IonicContact OE2-NH2 3.19Å; E1088-R1104 PolarHBondContact OE2-NH2 3.06Å
1089	S	75.6	Confident	79.5	Confident	56 Å²	56	64.1 Å²	64.1	39%	0.392	33%	0.325	S	S	.	.	H	α-helix	trans	-65.7	-18.8	179.2	77.5	0	0	0	0	113.2	K1085 L1086 L1087 R1091	K1085-S1089 PolarHBondContact O-N 3.4Å; L1086-S1089 WeakPolarHBondContact O-CB 3.24Å; L1086-S1089 PolarHBondContact O-N 3.13Å; L1086-S1089 PolarHBondContact O-OG 3.44Å; L1087-S1089 VanDerWaalsContact C-N 3.27Å; L1087-S1089 PolarHBondContact O-N 2.82Å; S1089-R1091 VanDerWaalsContact C-N 3.31Å; S1089-R1091 PolarHBondContact O-N 2.65Å
1090	R	78.8	Confident	80.4	Confident	21 Å²	21	59.9 Å²	59.9	8%	0.079	30%	0.303	C	S	.	.			trans	-86	61.8	-177.5	-59.7	-175.8	179.4	-167.4	-7.7	112.5	L908 T909 S910 L1087 E1088 G1092 E1093 A1096 Q1097	L908-R1090 VanDerWaalsContact O-CZ 3.24Å; L908-R1090 PolarHBondContact O-NH1 2.83Å; L908-R1090 PolarHBondContact O-NH2 3.36Å; T909-R1090 PolarHBondContact O-NH1 3.36Å; S910-R1090 VanDerWaalsContact CA-NH1 3.33Å; S910-R1090 WeakPolarHBondContact OG-CD 3.36Å; S910-R1090 PolarHBondContact OG-NH1 2.76Å; L1087-R1090 WeakPolarHBondContact O-CB 3.18Å; L1087-R1090 PolarHBondContact O-N 2.97Å; L1087-R1090 VanDerWaalsContact O-N 3.08Å; E1088-R1090 PolarHBondContact O-N 2.81Å; R1090-G1092 PolarHBondContact O-N 2.84Å; R1090-E1093 HydrophobicContact CB-CB 4.37Å; R1090-E1093 PolarHBondContact O-N 3.12Å; R1090-E1093 VanDerWaalsContact O-N 3.13Å; R1090-A1096 HydrophobicContact CB-CB 4.3Å; R1090-Q1097 PolarHBondContact O-NE2 3.12Å
1091	R	71.5	Confident	81	Confident	208 Å²	208	62.5 Å²	62.5	79%	0.785	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-26.2	-175.1	-64.7	-175.4	179.5	-174	0.4	114.5	S1089	S1089-R1091 VanDerWaalsContact C-N 3.31Å; S1089-R1091 PolarHBondContact O-N 2.65Å
1092	G	68.3	Low	81.3	Confident	65 Å²	65	65.8 Å²	65.8	67%	0.67	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-10.3	178.6	0	0	0	0	0	115.1	R1090	R1090-G1092 PolarHBondContact O-N 2.84Å
1093	E	79.5	Confident	81.8	Confident	68 Å²	68	62.6 Å²	62.6	32%	0.318	30%	0.302	S	S	.	.			trans	-104	107.7	-177.3	-67.8	-177.2	-136.5	0	0	110.7	M862 S910 R1090 E1095 A1096 Q1097	M862-E1093 WeakPolarHBondContact CE-OE1 3.21Å; S910-E1093 WeakPolarHBondContact CB-OE2 3.46Å; S910-E1093 PolarHBondContact OG-OE2 2.72Å; R1090-E1093 HydrophobicContact CB-CB 4.37Å; R1090-E1093 PolarHBondContact O-N 3.12Å; R1090-E1093 VanDerWaalsContact O-N 3.13Å; E1093-E1095 VanDerWaalsContact C-N 3.3Å; E1093-E1095 PolarHBondContact O-N 3.11Å; E1093-A1096 HydrophobicContact CB-CB 4.03Å; E1093-A1096 PolarHBondContact O-N 2.64Å; E1093-Q1097 WeakPolarHBondContact O-CG 3.49Å; E1093-Q1097 PolarHBondContact O-N 2.8Å; E1093-Q1097 VanDerWaalsContact O-N 3.14Å
1094	R	80.7	Confident	81.9	Confident	233 Å²	233	63.8 Å²	63.8	88%	0.879	31%	0.306	S	S	*	.	H	α-helix	trans	-57.5	-40.8	-173.1	-171.8	177.9	-178.4	178.1	-0.2	113.1	A1098	R1094-A1098 WeakPolarHBondContact O-CB 3.44Å; R1094-A1098 PolarHBondContact O-N 3.35Å
1095	E	81	Confident	82	Confident	76 Å²	76	68.6 Å²	68.6	36%	0.355	33%	0.328	S	S	.	.	H	α-helix	trans	-70.5	-43.8	-177.5	-172.3	171.2	-166.7	0	0	112.4	H911 H980 E1093 Q1097 A1098 F1099	H911-E1095 IonicContact CD2-OE1 3.86Å; H911-E1095 IonicContact CD2-OE2 3.32Å; H911-E1095 IonicContact CE1-OE2 2.75Å; H911-E1095 VanDerWaalsContact NE2-CD 3.3Å; H911-E1095 IonicContact NE2-OE1 3.89Å; H911-E1095 PolarHBondContact NE2-OE1 3.02Å; H911-E1095 IonicContact NE2-OE2 3.45Å; H911-E1095 PolarHBondContact NE2-OE2 3.16Å; H980-E1095 WeakPolarHBondContact CB-OE1 3.38Å; E1093-E1095 VanDerWaalsContact C-N 3.3Å; E1093-E1095 PolarHBondContact O-N 3.11Å; E1095-Q1097 VanDerWaalsContact C-N 3.33Å; E1095-Q1097 PolarHBondContact O-N 3.47Å; E1095-A1098 PolarHBondContact O-N 2.99Å; E1095-F1099 WeakPolarHBondContact O-CB 3.35Å; E1095-F1099 PolarHBondContact O-N 3.41Å
1096	A	84	Confident	82.3	Confident	0 Å²	0	65 Å²	65	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-59.2	-44.3	174.5	0	0	0	0	0	111.5	L1087 R1090 E1093 F1099 V1100	L1087-A1096 HydrophobicContact CD2-CB 3.94Å; R1090-A1096 HydrophobicContact CB-CB 4.3Å; E1093-A1096 HydrophobicContact CB-CB 4.03Å; E1093-A1096 PolarHBondContact O-N 2.64Å; A1096-F1099 PolarHBondContact O-N 3.45Å; A1096-V1100 WeakPolarHBondContact O-CB 3.42Å; A1096-V1100 WeakPolarHBondContact O-CG2 3.37Å; A1096-V1100 PolarHBondContact O-N 2.85Å
1097	Q	86.3	Confident	82.6	Confident	60 Å²	60	65 Å²	65	28%	0.28	31%	0.311	S	S	.	.	H	α-helix	trans	-67.8	-37.1	178.2	-65	-60	-53.5	0	0	112.6	L1087 E1088 R1090 E1093 E1095 K1101	L1087-Q1097 PolarHBondContact O-NE2 2.83Å; E1088-Q1097 PolarHBondContact O-NE2 3.18Å; R1090-Q1097 PolarHBondContact O-NE2 3.12Å; E1093-Q1097 WeakPolarHBondContact O-CG 3.49Å; E1093-Q1097 PolarHBondContact O-N 2.8Å; E1093-Q1097 VanDerWaalsContact O-N 3.14Å; E1095-Q1097 VanDerWaalsContact C-N 3.33Å; E1095-Q1097 PolarHBondContact O-N 3.47Å; Q1097-K1101 VanDerWaalsContact O-CB 3.28Å; Q1097-K1101 WeakPolarHBondContact O-CB 3.4Å; Q1097-K1101 PolarHBondContact O-N 3.15Å
1098	A	84.9	Confident	82.6	Confident	61 Å²	61	73.7 Å²	73.7	50%	0.504	35%	0.349	S	S	.	.	H	α-helix	trans	-63.8	-45.3	174.7	0	0	0	0	0	111.5	R1094 E1095 K1101 K1102	R1094-A1098 WeakPolarHBondContact O-CB 3.44Å; R1094-A1098 PolarHBondContact O-N 3.35Å; E1095-A1098 PolarHBondContact O-N 2.99Å; A1098-K1101 PolarHBondContact O-N 3.44Å; A1098-K1102 PolarHBondContact O-N 3.12Å
1099	F	88.8	Confident	82.6	Confident	15 Å²	15	73.4 Å²	73.4	7%	0.066	35%	0.348	C	S	.	.	H	α-helix	trans	-60.9	-49.7	176.5	-179.8	-98.4	0	0	0	112.2	I914 F917 F918 L1084 L1087 E1095 A1096 K1101 K1102 R1103	I914-F1099 HydrophobicContact CD1-CB 4.12Å; I914-F1099 HydrophobicContact CD1-CD1 4.44Å; I914-F1099 HydrophobicContact CD1-CD2 4.38Å; I914-F1099 HydrophobicContact CD1-CG 4.06Å; I914-F1099 HydrophobicContact CG1-CD1 3.96Å; I914-F1099 HydrophobicContact CG1-CD2 4.34Å; I914-F1099 HydrophobicContact CG1-CE1 4.21Å; I914-F1099 HydrophobicContact CG1-CG 4.02Å; I914-F1099 HydrophobicContact CG2-CD2 4.14Å; I914-F1099 HydrophobicContact CG2-CE2 3.87Å; I914-F1099 HydrophobicContact CG2-CZ 4.11Å; F917-F1099 HydrophobicContact CD1-CE1 4.14Å; F917-F1099 AromaticContact CD1-CZ 3.56Å; F917-F1099 HydrophobicContact CD1-CZ 3.56Å; F917-F1099 HydrophobicContact CE1-CE1 4.46Å; F917-F1099 AromaticContact CE1-CZ 3.85Å; F917-F1099 HydrophobicContact CE1-CZ 3.85Å; F917-F1099 HydrophobicContact CG-CE1 4.29Å; F917-F1099 HydrophobicContact CG-CZ 4.14Å; F918-F1099 AromaticContact CE2-CE2 3.51Å; F918-F1099 HydrophobicContact CE2-CE2 3.51Å; F918-F1099 AromaticContact CE2-CZ 3.92Å; F918-F1099 HydrophobicContact CE2-CZ 3.92Å; F918-F1099 AromaticContact CZ-CE2 3.58Å; F918-F1099 HydrophobicContact CZ-CE2 3.58Å; F918-F1099 HydrophobicContact CZ-CZ 4.05Å; L1084-F1099 HydrophobicContact CD1-CD1 4.3Å; L1084-F1099 HydrophobicContact CD1-CE1 4.12Å; L1087-F1099 HydrophobicContact CD1-CD1 3.83Å; L1087-F1099 HydrophobicContact CD1-CE1 3.97Å; E1095-F1099 WeakPolarHBondContact O-CB 3.35Å; E1095-F1099 PolarHBondContact O-N 3.41Å; A1096-F1099 PolarHBondContact O-N 3.45Å; F1099-K1101 VanDerWaalsContact C-N 3.34Å; F1099-K1101 PolarHBondContact O-N 3.08Å; F1099-K1102 WeakPolarHBondContact O-CB 3.3Å; F1099-K1102 PolarHBondContact O-N 3.31Å; F1099-R1103 HydrophobicContact CD1-CG 4.41Å; F1099-R1103 HydrophobicContact CE1-CG 3.95Å; F1099-R1103 HydrophobicContact CE2-CG 4.23Å; F1099-R1103 HydrophobicContact CZ-CG 3.86Å; F1099-R1103 PolarHBondContact O-N 3.46Å
1100	V	87.2	Confident	82.9	Confident	9 Å²	9	71 Å²	71	6%	0.055	33%	0.331	C	S	.	.	H	α-helix	trans	-55.5	-49	175.9	159.7	0	0	0	0	111.3	L1084 L1087 E1088 A1096 K1102 R1103 R1104	L1084-V1100 HydrophobicContact CD1-CB 4.48Å; L1084-V1100 HydrophobicContact CD1-CG2 3.96Å; L1087-V1100 HydrophobicContact CB-CG2 3.59Å; E1088-V1100 HydrophobicContact CB-CG1 4.42Å; E1088-V1100 HydrophobicContact CG-CB 4.2Å; E1088-V1100 HydrophobicContact CG-CG1 3.21Å; E1088-V1100 HydrophobicContact CG-CG2 3.91Å; A1096-V1100 WeakPolarHBondContact O-CB 3.42Å; A1096-V1100 WeakPolarHBondContact O-CG2 3.37Å; A1096-V1100 PolarHBondContact O-N 2.85Å; V1100-K1102 VanDerWaalsContact C-N 3.32Å; V1100-K1102 PolarHBondContact O-N 3.03Å; V1100-R1103 PolarHBondContact O-N 3.49Å; V1100-R1104 HydrophobicContact CG1-CG 4.32Å; V1100-R1104 WeakPolarHBondContact O-CB 3.31Å; V1100-R1104 PolarHBondContact O-N 2.8Å
1101	K	87.3	Confident	82.8	Confident	155 Å²	155	73 Å²	73	67%	0.674	34%	0.342	S	S	*	.	H	α-helix	trans	-59.3	-44.7	-179.4	-175.4	-178.2	177.5	-174.4	0	111	Q1097 A1098 F1099 R1103 Q1105	Q1097-K1101 VanDerWaalsContact O-CB 3.28Å; Q1097-K1101 WeakPolarHBondContact O-CB 3.4Å; Q1097-K1101 PolarHBondContact O-N 3.15Å; A1098-K1101 PolarHBondContact O-N 3.44Å; F1099-K1101 VanDerWaalsContact C-N 3.34Å; F1099-K1101 PolarHBondContact O-N 3.08Å; K1101-R1103 PolarHBondContact O-N 2.79Å; K1101-Q1105 VanDerWaalsContact O-CB 3.3Å; K1101-Q1105 WeakPolarHBondContact O-CB 3.42Å; K1101-Q1105 PolarHBondContact O-N 3.41Å
1102	K	86.3	Confident	83	Confident	76 Å²	76	64.9 Å²	64.9	33%	0.33	31%	0.312	S	S	.	.	H	α-helix	trans	-59.4	-45.2	176.4	-172.1	-178.7	179.4	-174.6	0	111	E977 A1098 F1099 V1100 R1106	E977-K1102 IonicContact OE1-NZ 2.81Å; E977-K1102 PolarHBondContact OE1-NZ 3.45Å; A1098-K1102 PolarHBondContact O-N 3.12Å; F1099-K1102 WeakPolarHBondContact O-CB 3.3Å; F1099-K1102 PolarHBondContact O-N 3.31Å; V1100-K1102 VanDerWaalsContact C-N 3.32Å; V1100-K1102 PolarHBondContact O-N 3.03Å; K1102-R1106 WeakPolarHBondContact O-CG 3.28Å; K1102-R1106 PolarHBondContact O-N 3.03Å
1103	R	89.1	Confident	82.7	Confident	12 Å²	12	63.5 Å²	63.5	5%	0.045	29%	0.294	C	S	.	.	H	α-helix	trans	-73.1	-41.2	-178.4	-70.4	-70	167.9	-162.9	-6.9	113.7	F917 E1039 L1084 F1099 V1100 K1101 Q1105 R1106 E1107	F917-R1103 HydrophobicContact CE1-CG 4.48Å; F917-R1103 HydrophobicContact CZ-CG 4.38Å; E1039-R1103 IonicContact OE1-NH1 3.66Å; E1039-R1103 PolarHBondContact OE1-NH1 3.27Å; E1039-R1103 IonicContact OE2-NH1 3.64Å; E1039-R1103 PolarHBondContact OE2-NH1 3.13Å; L1084-R1103 HydrophobicContact CD1-CB 3.92Å; L1084-R1103 HydrophobicContact CD1-CG 4.39Å; L1084-R1103 HydrophobicContact CD2-CB 3.94Å; F1099-R1103 HydrophobicContact CD1-CG 4.41Å; F1099-R1103 HydrophobicContact CE1-CG 3.95Å; F1099-R1103 HydrophobicContact CE2-CG 4.23Å; F1099-R1103 HydrophobicContact CZ-CG 3.86Å; F1099-R1103 PolarHBondContact O-N 3.46Å; V1100-R1103 PolarHBondContact O-N 3.49Å; K1101-R1103 PolarHBondContact O-N 2.79Å; R1103-Q1105 VanDerWaalsContact C-N 3.3Å; R1103-Q1105 PolarHBondContact O-N 3.29Å; R1103-R1106 WeakPolarHBondContact O-CB 3.36Å; R1103-R1106 PolarHBondContact O-N 3.18Å; R1103-R1106 VanDerWaalsContact O-N 3.13Å; R1103-E1107 PolarHBondContact O-N 2.85Å
1104	R	86.3	Confident	81.7	Confident	42 Å²	42	64.6 Å²	64.6	16%	0.158	32%	0.315	C	S	.	.	H	α-helix	trans	-65.4	-33.6	173.6	-71.5	-59.4	-170.5	-132.9	-13.2	112.8	L1084 E1088 V1100 R1106 E1107 K1108	L1084-R1104 VanDerWaalsContact CD2-NH1 3.27Å; E1088-R1104 WeakPolarHBondContact OE1-CG 3.48Å; E1088-R1104 IonicContact OE1-CZ 3.77Å; E1088-R1104 VanDerWaalsContact OE1-CZ 3.3Å; E1088-R1104 IonicContact OE1-NE 2.63Å; E1088-R1104 PolarHBondContact OE1-NE 3.07Å; E1088-R1104 IonicContact OE1-NH2 3.02Å; E1088-R1104 PolarHBondContact OE1-NH2 3.3Å; E1088-R1104 VanDerWaalsContact OE1-NH2 3.12Å; E1088-R1104 IonicContact OE2-CZ 3.16Å; E1088-R1104 IonicContact OE2-NE 3.88Å; E1088-R1104 IonicContact OE2-NH2 3.19Å; E1088-R1104 PolarHBondContact OE2-NH2 3.06Å; V1100-R1104 HydrophobicContact CG1-CG 4.32Å; V1100-R1104 WeakPolarHBondContact O-CB 3.31Å; V1100-R1104 PolarHBondContact O-N 2.8Å; R1104-R1106 VanDerWaalsContact C-N 3.32Å; R1104-E1107 WeakPolarHBondContact CD-OE2 3.18Å; R1104-E1107 IonicContact CZ-OE1 3.94Å; R1104-E1107 IonicContact CZ-OE2 3.59Å; R1104-E1107 IonicContact NE-OE2 3.38Å; R1104-E1107 IonicContact NH1-OE1 3.12Å; R1104-E1107 PolarHBondContact NH1-OE1 3Å; R1104-E1107 IonicContact NH1-OE2 2.7Å; R1104-E1107 PolarHBondContact NH1-OE2 3Å; R1104-E1107 PolarHBondContact O-N 3.49Å; R1104-K1108 PolarHBondContact O-N 3.4Å
1105	Q	84.7	Confident	80.3	Confident	101 Å²	101	60.4 Å²	60.4	47%	0.472	31%	0.306	S	S	.	.	H	α-helix	trans	-62.3	-41.2	171.9	-175.8	173.5	-4.2	0	0	111.3	K1101 R1103 K1108 Q1109	K1101-Q1105 VanDerWaalsContact O-CB 3.3Å; K1101-Q1105 WeakPolarHBondContact O-CB 3.42Å; K1101-Q1105 PolarHBondContact O-N 3.41Å; R1103-Q1105 VanDerWaalsContact C-N 3.3Å; R1103-Q1105 PolarHBondContact O-N 3.29Å; Q1105-K1108 PolarHBondContact O-N 2.98Å; Q1105-Q1109 WeakPolarHBondContact O-CG 3.15Å; Q1105-Q1109 PolarHBondContact O-N 3.14Å
1106	R	84.8	Confident	78.4	Confident	27 Å²	27	66.3 Å²	66.3	10%	0.102	33%	0.333	C	S	.	.	H	α-helix	trans	-65.3	-42.8	174.4	-67	-72.1	179.7	-97.9	-10.7	112.8	P1076 K1102 R1103 R1104 K1108 Q1109 S1110	P1076-R1106 HydrophobicContact CG-CB 4.28Å; K1102-R1106 WeakPolarHBondContact O-CG 3.28Å; K1102-R1106 PolarHBondContact O-N 3.03Å; R1103-R1106 WeakPolarHBondContact O-CB 3.36Å; R1103-R1106 PolarHBondContact O-N 3.18Å; R1103-R1106 VanDerWaalsContact O-N 3.13Å; R1104-R1106 VanDerWaalsContact C-N 3.32Å; R1106-K1108 VanDerWaalsContact C-N 3.27Å; R1106-K1108 PolarHBondContact O-N 3.01Å; R1106-Q1109 PolarHBondContact O-N 3.04Å; R1106-Q1109 VanDerWaalsContact O-N 3.12Å; R1106-S1110 PolarHBondContact O-N 3.18Å; R1106-S1110 VanDerWaalsContact O-N 3.12Å
1107	E	85.1	Confident	78.1	Confident	18 Å²	18	69.6 Å²	69.6	8%	0.084	35%	0.35	C	S	.	.	H	α-helix	trans	-56.5	-40.8	172.3	-77.2	177.7	-166.6	0	0	112.1	P1076 N1079 L1084 R1103 R1104 Q1109 S1110 A1113	P1076-E1107 HydrophobicContact CB-CG 3.92Å; P1076-E1107 HydrophobicContact CG-CG 4.36Å; N1079-E1107 PolarHBondContact N-OE2 2.96Å; L1084-E1107 WeakPolarHBondContact CD2-OE1 3.24Å; R1103-E1107 PolarHBondContact O-N 2.85Å; R1104-E1107 WeakPolarHBondContact CD-OE2 3.18Å; R1104-E1107 IonicContact CZ-OE1 3.94Å; R1104-E1107 IonicContact CZ-OE2 3.59Å; R1104-E1107 IonicContact NE-OE2 3.38Å; R1104-E1107 IonicContact NH1-OE1 3.12Å; R1104-E1107 PolarHBondContact NH1-OE1 3Å; R1104-E1107 IonicContact NH1-OE2 2.7Å; R1104-E1107 PolarHBondContact NH1-OE2 3Å; R1104-E1107 PolarHBondContact O-N 3.49Å; E1107-Q1109 VanDerWaalsContact C-N 3.31Å; E1107-Q1109 PolarHBondContact O-N 3.15Å; E1107-S1110 WeakPolarHBondContact O-CB 3.06Å; E1107-S1110 PolarHBondContact O-N 3.17Å; E1107-A1113 WeakPolarHBondContact O-CB 3.43Å
1108	K	82.5	Confident	77.7	Confident	183 Å²	183	70.1 Å²	70.1	80%	0.796	35%	0.353	S	S	*	.	H	α-helix	trans	-66.7	-32.2	177.8	-169.5	-178	178.3	-173.8	0	113.1	R1104 Q1105 R1106 S1110	R1104-K1108 PolarHBondContact O-N 3.4Å; Q1105-K1108 PolarHBondContact O-N 2.98Å; R1106-K1108 VanDerWaalsContact C-N 3.27Å; R1106-K1108 PolarHBondContact O-N 3.01Å; K1108-S1110 VanDerWaalsContact C-N 3.26Å
1109	Q	82.4	Confident	77.3	Confident	56 Å²	56	70.6 Å²	70.6	26%	0.262	35%	0.345	S	S	.	.	H	α-helix	trans	-81.4	-7.4	177.2	-64.7	177.1	-56.4	0	0	112.4	F1036 Q1105 R1106 E1107	F1036-Q1109 HydrophobicContact CB-CB 3.67Å; F1036-Q1109 HydrophobicContact CD1-CB 4.46Å; F1036-Q1109 HydrophobicContact CG-CB 4.29Å; Q1105-Q1109 WeakPolarHBondContact O-CG 3.15Å; Q1105-Q1109 PolarHBondContact O-N 3.14Å; R1106-Q1109 PolarHBondContact O-N 3.04Å; R1106-Q1109 VanDerWaalsContact O-N 3.12Å; E1107-Q1109 VanDerWaalsContact C-N 3.31Å; E1107-Q1109 PolarHBondContact O-N 3.15Å
1110	S	82.6	Confident	76.6	Confident	6 Å²	6	73.9 Å²	73.9	4%	0.042	36%	0.361	C	S	.	.			trans	-73.4	136.5	-177.4	-175.9	0	0	0	0	112.3	H1075 P1076 R1106 E1107 K1108 E1112 A1113	H1075-S1110 WeakPolarHBondContact CB-OG 3.43Å; H1075-S1110 WeakPolarHBondContact ND1-CA 3.29Å; H1075-S1110 PolarHBondContact ND1-OG 2.83Å; H1075-S1110 VanDerWaalsContact ND1-OG 3.12Å; P1076-S1110 VanDerWaalsContact O-CB 3.24Å; P1076-S1110 WeakPolarHBondContact O-CB 3.25Å; P1076-S1110 PolarHBondContact O-OG 3.31Å; R1106-S1110 PolarHBondContact O-N 3.18Å; R1106-S1110 VanDerWaalsContact O-N 3.12Å; E1107-S1110 WeakPolarHBondContact O-CB 3.06Å; E1107-S1110 PolarHBondContact O-N 3.17Å; K1108-S1110 VanDerWaalsContact C-N 3.26Å; S1110-E1112 PolarHBondContact O-N 3.1Å; S1110-E1112 PolarHBondContact OG-N 3.01Å; S1110-A1113 WeakPolarHBondContact O-CB 3.46Å; S1110-A1113 PolarHBondContact O-N 3.05Å
1111	Q	76	Confident	75.9	Confident	63 Å²	63	77.9 Å²	77.9	29%	0.294	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-63.9	-21.1	170.9	-66.6	-159.9	-4.9	0	0	113.5	Y933 L960 M962 H1075 A1113 A1114	Y933-Q1111 HydrophobicContact CE1-CB 4.48Å; L960-Q1111 HydrophobicContact CD1-CG 4.38Å; L960-Q1111 VanDerWaalsContact CD1-OE1 3.3Å; M962-Q1111 VanDerWaalsContact CE-NE2 3.3Å; M962-Q1111 PolarHBondContact SD-NE2 2.87Å; M962-Q1111 VanDerWaalsContact SD-NE2 3.41Å; H1075-Q1111 PolarHBondContact CE1-N 3.42Å; H1075-Q1111 PolarHBondContact ND1-N 3.4Å; H1075-Q1111 VanDerWaalsContact ND1-N 3.1Å; Q1111-A1113 VanDerWaalsContact C-N 3.26Å; Q1111-A1113 PolarHBondContact O-N 3.03Å; Q1111-A1114 PolarHBondContact O-N 3.42Å
1112	E	75.9	Confident	75.2	Confident	36 Å²	36	72.8 Å²	72.8	17%	0.168	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-71.2	-21.2	172.7	-67.3	-170.9	141.3	0	0	112.9	Y933 H1075 K1077 S1110 A1114 Q1115	Y933-E1112 WeakPolarHBondContact OH-CG 3.5Å; H1075-E1112 HydrophobicContact CB-CG 3.92Å; K1077-E1112 WeakPolarHBondContact CG-OE2 3.29Å; S1110-E1112 PolarHBondContact O-N 3.1Å; S1110-E1112 PolarHBondContact OG-N 3.01Å; E1112-A1114 VanDerWaalsContact C-N 3.3Å; E1112-Q1115 PolarHBondContact O-N 3.45Å
1113	A	61.9	Low	74.4	Confident	36 Å²	36	72.6 Å²	72.6	30%	0.298	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-74.1	-21.8	173	0	0	0	0	0	112.8	P1078 E1107 S1110 Q1111 Q1115	P1078-A1113 HydrophobicContact CG-CB 4.42Å; E1107-A1113 WeakPolarHBondContact O-CB 3.43Å; S1110-A1113 WeakPolarHBondContact O-CB 3.46Å; S1110-A1113 PolarHBondContact O-N 3.05Å; Q1111-A1113 VanDerWaalsContact C-N 3.26Å; Q1111-A1113 PolarHBondContact O-N 3.03Å; A1113-Q1115 VanDerWaalsContact C-N 3.34Å
1114	A	57.8	Low	73.2	Confident	91 Å²	91	77.2 Å²	77.2	75%	0.752	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-81.8	-12.3	176.6	0	0	0	0	0	113.4	Q1111 E1112	Q1111-A1114 PolarHBondContact O-N 3.42Å; E1112-A1114 VanDerWaalsContact C-N 3.3Å
1115	Q	50.8	Low	72.1	Confident	146 Å²	146	80.2 Å²	80.2	68%	0.682	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-97.6	2.7	-179.3	-66.3	-173.4	-15.9	0	0	113.8	E1112 A1113	E1112-Q1115 PolarHBondContact O-N 3.45Å; A1113-Q1115 VanDerWaalsContact C-N 3.34Å
1116	Q	41.3	Very low	71	Confident	199 Å²	199	78.3 Å²	78.3	93%	0.93	40%	0.401	S	S	*	.			trans	-102.4	0	177.7	-79	-169.2	-2.5	0	0	113.8	P1078	P1078-Q1116 VanDerWaalsContact CG-OE1 3.24Å

Retrieved 1,116 of 1,116 residues in 2799.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).