A0A3Q0KPY1_SCHMA Loading...

Putative cyclic-nucleotide-gated cation channel

AlphaFold DB , UniProt , Accession A0A3Q0KPY1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 926 aa.

						>A0A3Q0KPY1_SCHMA|A0A3Q0KPY1
MTTKENPINKPNSLLNIQYSHDNISQKSISDNETILLDCNNISHDQKLSPSSKINKMDQCKLPSKQYLNIHSNYGMSLSKLDKITRSSMTKLNKIYYNTQNNIQKSSSNDNASRRWKKVQCTMKVVLSSMDHVKLKRKLHNNNNNNELSRRDSFMYRFSTQRRGTYNNDDYFIDTNYDHSFIDQLYSQQKLDNYNCIPKIDNNDNNNNNDHDNHINDERKSSYHKVDLNEQITNNTTTTTNNNNNNNNNAESLATTIIPEKQLLLENPINSITQDEMFYLDTPTLPNNHNNDYSIKKKLSNETNKSNKSFEFNNELEKNLKNLKNNNNKSQLLIIFYPNSTGYLIWLTIVSMALLYNLWTPIARQAFDELQLKYQTIWLSFDILTDIIYLIDIFIQCNTSYLKCGLKVKEHQKLLIRYMKSYKFLLDITSLLPLDLLQFKVGIQPMLRFPRFLKWYRYYEWKLRVENRTIFPNIWRVLNLIHILFLGCHWFAAFYYLISKYEGFKNPWGYQPYNDAEQVTMSRRYLKSFYWATLTLTTIGDLSSPSSSIDIRGQNGSVSNLWLTFTIVSYLIGVFIFATIVGQVGNIITTRNAHRTEFEKILDNAKSYMRENSVNKDLQNRILRWYDYAWSKGSGRGGQDINSLGMLPDKLKTELALNVNLETLKKVTIFHECRPEFLHDIVLKMRPLVLTPGDLICRKGEIAREIFIIADGVLEVLSEENEVLSTMGPGDFFGEIGVLNLDGINRRTADVRAVGYAELFVLARDDILKALKDHPEAEFVIRKHAAKRLYESRHRRSGILQGKKSPSCSSNFSSKLSPILQTNPHLFPLGNTIGCSVSRELSRFSTSPLCLDKVSPHRRLTSYNVQSSEKYMNNSDKQYLITLMDTVEQFTERWDNILTSLVDNHRKELLLLKENLIQYTTNQNSL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.9	Very low	34.5	Very low	230 Å²	230	159.5 Å²	159.5	100%	1.133	84%	0.835	S	S	*	*				0	85.8	0	-68.1	157.4	174.7	0	0	106.4
2	T	34.5	Very low	34	Very low	129 Å²	129	158.7 Å²	158.7	79%	0.791	83%	0.832	S	S	*	*				68.7	116.7	89.8	54.8	0	0	0	0	110.8
3	T	40.4	Very low	33.6	Very low	142 Å²	142	154.8 Å²	154.8	87%	0.871	83%	0.826	S	S	*	*			cis	-139.8	166.5	39.2	43.1	0	0	0	0	115.3
4	K	33.3	Very low	33.3	Very low	196 Å²	196	155.9 Å²	155.9	85%	0.852	83%	0.831	S	S	*	*			trans	-103.3	160.2	167.7	-73.4	176.1	172.6	177.7	0	109.5
5	E	37.9	Very low	32.7	Very low	186 Å²	186	157.5 Å²	157.5	87%	0.869	84%	0.838	S	S	*	*			trans	144	148.3	150.3	-86.1	165.5	-156.1	0	0	109.2
6	N	35.2	Very low	32.1	Very low	152 Å²	152	157 Å²	157	81%	0.813	84%	0.836	S	S	*	*			cis	-168	150.3	-34.6	-124.2	-7.4	0	0	0	104
7	P	36.5	Very low	31.8	Very low	105 Å²	105	155.1 Å²	155.1	68%	0.682	82%	0.824	S	S	*	*			trans	-96.9	165.9	-169.5	37.5	-35.5	0	0	0	113.8
8	I	34.4	Very low	31.6	Very low	151 Å²	151	156.4 Å²	156.4	77%	0.774	83%	0.825	S	S	*	*			trans	175.9	115.2	139.1	-90.7	149.8	0	0	0	110.7
9	N	31.7	Very low	31.3	Very low	161 Å²	161	159.4 Å²	159.4	86%	0.861	83%	0.825	S	S	*	*			trans	160.7	123.1	134	-88.3	-31.3	0	0	0	112.9
10	K	30.3	Very low	31.1	Very low	200 Å²	200	156.3 Å²	156.3	87%	0.87	82%	0.818	S	S	*	*			trans	-102.2	170.3	165.6	-103.1	-180	178.5	177.2	0	107.5
11	P	34.1	Very low	31.1	Very low	103 Å²	103	156.7 Å²	156.7	67%	0.669	82%	0.815	S	S	*	*			cis	-145.3	175.4	28.7	42.1	-22	0	0	0	118.6
12	N	28.6	Very low	31.1	Very low	149 Å²	149	152 Å²	152	80%	0.797	80%	0.795	S	S	*	*			trans	60.3	102.1	150.9	-61.8	-10.1	0	0	0	121.1
13	S	29.4	Very low	30.8	Very low	108 Å²	108	152.6 Å²	152.6	76%	0.755	79%	0.794	S	S	*	*				155	153.4	106.6	59.9	0	0	0	0	112.8
14	L	28.4	Very low	30.3	Very low	170 Å²	170	153.6 Å²	153.6	89%	0.89	79%	0.792	S	S	*	*			trans	66.2	103.3	171.1	-56.4	176	0	0	0	117.6
15	L	24.7	Very low	30.1	Very low	180 Å²	180	148.9 Å²	148.9	94%	0.942	78%	0.784	S	S	*	*			trans	-82	114.4	171.2	-144.6	94.6	0	0	0	110.1
16	N	23.9	Very low	29.6	Very low	150 Å²	150	148.4 Å²	148.4	80%	0.802	78%	0.781	S	S	*	*			trans	-167.9	153.4	165.5	-123.6	-13.7	0	0	0	112.9
17	I	26.2	Very low	29.3	Very low	125 Å²	125	149.7 Å²	149.7	64%	0.641	78%	0.78	S	S	*	*			trans	80.3	112.6	163.4	-55.6	153.6	0	0	0	118.9	Y19	I17-Y19 HydrophobicContact CG2-CD2 4.2Å
18	Q	28.8	Very low	28.7	Very low	178 Å²	178	150 Å²	150	83%	0.832	78%	0.784	S	S	*	*				169.4	117.7	124.8	-106.8	142.8	-26.1	0	0	108.1
19	Y	26.4	Very low	28.3	Very low	213 Å²	213	149.6 Å²	149.6	84%	0.835	78%	0.782	S	S	*	*				57.7	137.7	68.4	-69.6	-71.9	0	0	0	112.7	I17	I17-Y19 HydrophobicContact CG2-CD2 4.2Å
20	S	26.6	Very low	28.1	Very low	98 Å²	98	146.7 Å²	146.7	69%	0.685	77%	0.774	S	S	*	*			cis	-160.5	-174.5	25	49.5	0	0	0	0	114
21	H	30.2	Very low	28	Very low	164 Å²	164	144.7 Å²	144.7	76%	0.759	77%	0.773	S	S	*	*			trans	107.8	127.7	174.6	-65.3	-75.8	0	0	0	114.4
22	D	31	Very low	27.5	Very low	132 Å²	132	147.2 Å²	147.2	71%	0.706	78%	0.781	S	S	*	*			cis	-152	166.8	-8.3	-118.7	-28.5	0	0	0	113.5
23	N	29	Very low	27.5	Very low	142 Å²	142	147.4 Å²	147.4	76%	0.759	78%	0.777	S	S	*	*			trans	-70.6	145	-175.3	-58.6	-81.3	0	0	0	112.9
24	I	29.8	Very low	27.3	Very low	163 Å²	163	146.2 Å²	146.2	84%	0.836	77%	0.765	S	S	*	*				168.8	140.1	101.6	-85.6	168	0	0	0	105.5
25	S	29.7	Very low	27.3	Very low	97 Å²	97	145 Å²	145	68%	0.678	76%	0.758	S	S	*	*			cis	-155.3	161.8	-2.5	52.6	0	0	0	0	113
26	Q	27.8	Very low	27.2	Very low	175 Å²	175	138.8 Å²	138.8	82%	0.818	73%	0.726	S	S	*	*			trans	10.1	136.2	146.7	-51.5	179.8	4.9	0	0	119.3
27	K	27.5	Very low	27.4	Very low	180 Å²	180	139.3 Å²	139.3	78%	0.783	73%	0.728	S	S	*	*			cis	-155.4	124.8	36.9	-152.3	167.7	-172.6	172	0	111.7
28	S	24.4	Very low	27.3	Very low	110 Å²	110	140.1 Å²	140.1	77%	0.769	73%	0.734	S	S	*	*			trans	-91	144.5	-174.6	53.2	0	0	0	0	114.5
29	I	26.3	Very low	27.1	Very low	143 Å²	143	138.1 Å²	138.1	73%	0.733	74%	0.738	S	S	*	*			trans	-138.8	123.7	143.8	-60.1	-175.6	0	0	0	108.1
30	S	26.3	Very low	27.1	Very low	100 Å²	100	135 Å²	135	70%	0.699	74%	0.735	S	S	*	*			trans	-100.7	133.2	177	52.2	0	0	0	0	111
31	D	28.8	Very low	27	Very low	158 Å²	158	137.1 Å²	137.1	85%	0.845	74%	0.739	S	S	*	*			trans	-111.9	93.8	167.1	-76.6	-26.4	0	0	0	109.6
32	N	24.9	Very low	27	Very low	157 Å²	157	136.6 Å²	136.6	84%	0.84	74%	0.74	S	S	*	*			trans	-112.9	107.9	164.9	-94.4	-13.5	0	0	0	107.7
33	E	28.5	Very low	26.7	Very low	152 Å²	152	134.7 Å²	134.7	71%	0.71	74%	0.737	S	S	*	*			trans	-156	83	157.9	-117.4	-176.4	-155.4	0	0	109.2	K61	E33-K61 WeakPolarHBondContact OE1-CE 3.49Å; E33-K61 IonicContact OE1-NZ 3.95Å; E33-K61 PolarHBondContact OE1-NZ 3.45Å; E33-K61 WeakPolarHBondContact OE2-CE 3.49Å; E33-K61 IonicContact OE2-NZ 2.71Å; E33-K61 PolarHBondContact OE2-NZ 3.22Å
34	T	23.7	Very low	26.8	Very low	83 Å²	83	136.1 Å²	136.1	51%	0.509	74%	0.739	S	S	.	*			trans	-60.6	145.7	152.5	4.4	0	0	0	0	109	E611	T34-E611 VanDerWaalsContact CB-OE2 3.31Å; T34-E611 WeakPolarHBondContact CB-OE2 3.47Å; T34-E611 VanDerWaalsContact CG2-OE2 3.29Å; T34-E611 WeakPolarHBondContact CG2-OE2 3.45Å
35	I	28.3	Very low	26.5	Very low	145 Å²	145	134.9 Å²	134.9	74%	0.744	73%	0.734	S	S	*	*			trans	-169.5	136.4	130.6	-96.9	151.5	0	0	0	109.6	E611	I35-E611 WeakPolarHBondContact CA-OE1 3.48Å
36	L	23.9	Very low	26.6	Very low	49 Å²	49	139.7 Å²	139.7	26%	0.257	75%	0.746	S	S	.	*			trans	-58.5	161.7	172	-88.9	87.1	0	0	0	112.6	Y608 E611	L36-Y608 HydrophobicContact CD1-CD2 3.85Å; L36-Y608 HydrophobicContact CD1-CE2 3.87Å; L36-Y608 HydrophobicContact CD2-CE2 3.77Å; L36-Y608 HydrophobicContact CG-CE2 4.14Å; L36-E611 VanDerWaalsContact CD1-CD 3.43Å; L36-E611 HydrophobicContact CD1-CG 4.3Å; L36-E611 WeakPolarHBondContact CD1-OE1 3.38Å; L36-E611 PolarHBondContact N-OE1 3.4Å
37	L	26.5	Very low	26.5	Very low	162 Å²	162	140.8 Å²	140.8	85%	0.848	75%	0.748	S	S	*	*				178.5	141.3	111.2	-93.5	161.3	0	0	0	112.4
38	D	24.4	Very low	26.5	Very low	142 Å²	142	140.7 Å²	140.7	76%	0.759	76%	0.755	S	S	*	*			trans	-59.2	156.2	171.5	-74.2	-63.6	0	0	0	113.1
39	C	25.5	Very low	26.7	Very low	136 Å²	136	140.5 Å²	140.5	92%	0.919	75%	0.754	S	S	*	*			trans	-151.3	90.4	158.9	-104.9	0	0	0	0	110
40	N	25.8	Very low	26.8	Very low	146 Å²	146	139.8 Å²	139.8	78%	0.781	76%	0.758	S	S	*	*			trans	-118.3	109.4	163.9	-110	-13.6	0	0	0	109.2
41	N	25.4	Very low	26.8	Very low	143 Å²	143	140.5 Å²	140.5	77%	0.765	76%	0.763	S	S	*	*			trans	68.5	163.2	158.4	-58.3	-29.3	0	0	0	120.6
42	I	29.2	Very low	26.8	Very low	154 Å²	154	138.7 Å²	138.7	79%	0.79	76%	0.763	S	S	*	*			trans	86.8	89.4	165	-46.1	-177.2	0	0	0	116.6
43	S	25.4	Very low	26.9	Very low	91 Å²	91	141.2 Å²	141.2	64%	0.636	77%	0.767	S	S	*	*			trans	0.7	149.5	138	52.3	0	0	0	0	122.1
44	H	30	Very low	26.9	Very low	173 Å²	173	141.1 Å²	141.1	80%	0.801	77%	0.769	S	S	*	*			trans	119.3	122.1	150	-82	-61.3	0	0	0	118.7
45	D	25.3	Very low	27.1	Very low	137 Å²	137	144.5 Å²	144.5	73%	0.733	78%	0.784	S	S	*	*			trans	-42.3	141.3	169.4	-47.5	-85.1	0	0	0	115.6
46	Q	30.2	Very low	27	Very low	197 Å²	197	147.5 Å²	147.5	92%	0.921	79%	0.792	S	S	*	*				-168.8	163.1	106.6	-100.8	177.3	13.4	0	0	112.8
47	K	25.5	Very low	27	Very low	198 Å²	198	154.1 Å²	154.1	86%	0.861	82%	0.824	S	S	*	*			trans	-89.5	145.6	-169.2	-60.3	162.6	177.6	169.2	0	112.1
48	L	29.3	Very low	26.9	Very low	179 Å²	179	154 Å²	154	94%	0.937	82%	0.824	S	S	*	*			trans	-158.8	153.9	139.8	-107.8	146.3	0	0	0	111.7
49	S	28.6	Very low	26.9	Very low	106 Å²	106	155.4 Å²	155.4	74%	0.741	83%	0.826	S	S	*	*			trans	-102.1	161	-154.4	45.8	0	0	0	0	115.4
50	P	27.3	Very low	27	Very low	128 Å²	128	153.7 Å²	153.7	83%	0.831	81%	0.814	S	S	*	*			trans	-98.9	146.1	-169.5	37.2	-33.9	0	0	0	115
51	S	27.4	Very low	27.3	Very low	115 Å²	115	153.2 Å²	153.2	80%	0.804	81%	0.805	S	S	*	*			trans	-150.2	123	158.8	62.9	0	0	0	0	112.5
52	S	28.9	Very low	27.6	Very low	120 Å²	120	152.6 Å²	152.6	84%	0.839	80%	0.801	S	S	*	*			trans	149.2	90.7	158.7	50.5	0	0	0	0	110.4
53	K	26.4	Very low	27.9	Very low	210 Å²	210	147.9 Å²	147.9	91%	0.913	78%	0.781	S	S	*	*			trans	-82	120.6	162.6	-71.2	170.8	179	166.8	0	107.6
54	I	28.8	Very low	28.4	Very low	149 Å²	149	146.9 Å²	146.9	76%	0.764	77%	0.774	S	S	*	*			trans	-152.8	139	155.3	-97.1	136.9	0	0	0	108.5
55	N	27.7	Very low	28.8	Very low	154 Å²	154	146.3 Å²	146.3	82%	0.824	77%	0.769	S	S	*	*			trans	62.6	98.5	170.7	-61.6	-11.4	0	0	0	119.2
56	K	26.1	Very low	29.4	Very low	209 Å²	209	143.7 Å²	143.7	91%	0.909	75%	0.752	S	S	*	*			trans	-77.6	126.1	164.4	-61.4	163.7	176.2	169.6	0	110.3
57	M	22.8	Very low	29.7	Very low	188 Å²	188	138.3 Å²	138.3	93%	0.926	72%	0.724	S	S	*	*				173.4	69	129	-97.1	-166.2	176.8	0	0	111.9
58	D	25.2	Very low	30.3	Very low	160 Å²	160	134.7 Å²	134.7	86%	0.856	71%	0.714	S	S	*	*			trans	-141.2	102.5	166.5	-105.6	-41.3	0	0	0	111.7
59	Q	24.5	Very low	30.9	Very low	171 Å²	171	130.7 Å²	130.7	80%	0.799	69%	0.693	S	S	*	*			trans	-142.1	63.9	177.5	-74.3	-164.1	-6.1	0	0	112.6
60	C	27.1	Very low	31.7	Very low	99 Å²	99	126.5 Å²	126.5	67%	0.669	66%	0.662	S	S	*	*			trans	-125	-8.9	171.6	-84.4	0	0	0	0	116.3	L62 P63	C60-L62 PolarHBondContact O-N 3.1Å; C60-P63 WeakPolarHBondContact O-CD 3.46Å
61	K	33.1	Very low	32.5	Very low	136 Å²	136	125.9 Å²	125.9	59%	0.591	65%	0.648	S	S	*	*			trans	-83.3	15.9	-173.8	-62.9	-162.5	178.9	-162.4	0	117.4	E33	E33-K61 WeakPolarHBondContact OE1-CE 3.49Å; E33-K61 IonicContact OE1-NZ 3.95Å; E33-K61 PolarHBondContact OE1-NZ 3.45Å; E33-K61 WeakPolarHBondContact OE2-CE 3.49Å; E33-K61 IonicContact OE2-NZ 2.71Å; E33-K61 PolarHBondContact OE2-NZ 3.22Å
62	L	32	Very low	33.3	Very low	130 Å²	130	124 Å²	124	68%	0.681	64%	0.635	S	S	*	*	S	Bend	trans	-90	-25.6	-175.6	-90.8	102.1	0	0	0	118.9	C60	C60-L62 PolarHBondContact O-N 3.1Å
63	P	33.9	Very low	33.8	Very low	55 Å²	55	122.4 Å²	122.4	36%	0.357	62%	0.617	S	S	.	*	H	α-helix	trans	-71.4	-34.8	-175.8	-20.8	33.3	0	0	0	114.8	C60 Q66 Y67	C60-P63 WeakPolarHBondContact O-CD 3.46Å; P63-Q66 PolarHBondContact O-N 3.06Å; P63-Y67 PolarHBondContact O-N 3.03Å
64	S	36.2	Very low	34.7	Very low	70 Å²	70	121.7 Å²	121.7	49%	0.49	61%	0.61	S	S	.	*	H	α-helix	trans	-68.7	-44.1	-172.3	47.1	0	0	0	0	113.3	Q66 Y67 L68	S64-Q66 VanDerWaalsContact C-N 3.29Å; S64-Q66 PolarHBondContact O-N 3.2Å; S64-Y67 WeakPolarHBondContact O-CB 3.49Å; S64-Y67 PolarHBondContact O-N 3.47Å; S64-Y67 VanDerWaalsContact O-N 3.13Å; S64-L68 PolarHBondContact O-N 3.3Å
65	K	38.5	Very low	35.7	Very low	162 Å²	162	118 Å²	118	70%	0.704	61%	0.608	S	S	*	*	H	α-helix	trans	-62.2	-31.1	177.5	-82.2	-170	172.8	-175.6	0	113.5	N69	K65-N69 WeakPolarHBondContact O-CB 3.32Å; K65-N69 PolarHBondContact O-N 2.71Å
66	Q	38.6	Very low	37.5	Very low	81 Å²	81	112.4 Å²	112.4	38%	0.379	58%	0.578	S	S	.	*	H	α-helix	trans	-75.9	-35.7	173.4	-70.5	-163.1	-62.7	0	0	112.4	P63 S64 N69 I70	P63-Q66 PolarHBondContact O-N 3.06Å; S64-Q66 VanDerWaalsContact C-N 3.29Å; S64-Q66 PolarHBondContact O-N 3.2Å; Q66-N69 PolarHBondContact O-N 3.01Å; Q66-I70 WeakPolarHBondContact O-CG1 3.35Å; Q66-I70 PolarHBondContact O-N 3.34Å
67	Y	36.5	Very low	39.7	Very low	85 Å²	85	105.3 Å²	105.3	33%	0.333	55%	0.554	S	S	.	*	H	α-helix	trans	-62.1	-46.6	175.9	-129.5	-63.9	0	0	0	112	P63 S64 I70 H71 K124 V125	P63-Y67 PolarHBondContact O-N 3.03Å; S64-Y67 WeakPolarHBondContact O-CB 3.49Å; S64-Y67 PolarHBondContact O-N 3.47Å; S64-Y67 VanDerWaalsContact O-N 3.13Å; Y67-I70 PolarHBondContact O-N 2.98Å; Y67-H71 PolarHBondContact O-N 3.28Å; Y67-K124 PolarHBondContact OH-O 3.37Å; Y67-V125 HydrophobicContact CD2-CB 4.37Å; Y67-V125 HydrophobicContact CD2-CG2 3.53Å; Y67-V125 HydrophobicContact CE2-CB 4.09Å; Y67-V125 HydrophobicContact CE2-CG2 3.48Å; Y67-V125 VanDerWaalsContact CE2-CG2 3.48Å
68	L	38.4	Very low	42	Very low	122 Å²	122	98.3 Å²	98.3	64%	0.639	52%	0.52	S	S	*	.	H	α-helix	trans	-61.1	-43.3	176.5	-85.4	155.3	0	0	0	112.3	S64 I70 H71 S72	S64-L68 PolarHBondContact O-N 3.3Å; L68-I70 VanDerWaalsContact C-N 3.3Å; L68-I70 PolarHBondContact O-N 3.48Å; L68-H71 PolarHBondContact O-N 2.82Å; L68-S72 WeakPolarHBondContact O-CB 3.49Å; L68-S72 PolarHBondContact O-N 3.35Å; L68-S72 PolarHBondContact O-OG 2.63Å; L68-S72 VanDerWaalsContact O-OG 3.14Å
69	N	40.7	Very low	44.4	Very low	94 Å²	94	94.6 Å²	94.6	50%	0.503	51%	0.507	S	S	.	.	H	α-helix	trans	-68.1	-21.9	-179.6	-91.6	-17.3	0	0	0	115.1	K65 Q66	K65-N69 WeakPolarHBondContact O-CB 3.32Å; K65-N69 PolarHBondContact O-N 2.71Å; Q66-N69 PolarHBondContact O-N 3.01Å
70	I	45	Very low	46.8	Very low	19 Å²	19	92.8 Å²	92.8	10%	0.097	50%	0.496	C	S	.	.	H	α-helix	trans	-80.6	-36.6	175.9	-67.3	167.2	0	0	0	110.5	Q66 Y67 L68 V125	Q66-I70 WeakPolarHBondContact O-CG1 3.35Å; Q66-I70 PolarHBondContact O-N 3.34Å; Y67-I70 PolarHBondContact O-N 2.98Å; L68-I70 VanDerWaalsContact C-N 3.3Å; L68-I70 PolarHBondContact O-N 3.48Å; I70-V125 HydrophobicContact CD1-CG1 4.48Å
71	H	43.9	Very low	48.8	Very low	114 Å²	114	88.7 Å²	88.7	53%	0.528	47%	0.468	S	S	.	.	H	α-helix	trans	-82.7	-24.5	179.3	-90.2	-83	0	0	0	114.6	Y67 L68	Y67-H71 PolarHBondContact O-N 3.28Å; L68-H71 PolarHBondContact O-N 2.82Å
72	S	46	Very low	50.6	Low	76 Å²	76	83.6 Å²	83.6	53%	0.531	45%	0.447	S	S	.	.	H	α-helix	trans	-83.9	-21.2	-176.5	64.3	0	0	0	0	115.3	L68	L68-S72 WeakPolarHBondContact O-CB 3.49Å; L68-S72 PolarHBondContact O-N 3.35Å; L68-S72 PolarHBondContact O-OG 2.63Å; L68-S72 VanDerWaalsContact O-OG 3.14Å
73	N	38.7	Very low	52.8	Low	87 Å²	87	85.3 Å²	85.3	47%	0.465	45%	0.449	S	S	.	.			trans	-109.3	80.9	-168.2	-93.8	-64	0	0	0	114.1	G75 M76	N73-G75 PolarHBondContact O-N 3.37Å; N73-M76 HydrophobicContact CB-CE 4.07Å; N73-M76 PolarHBondContact O-N 3.46Å
74	Y	45.9	Very low	54.6	Low	195 Å²	195	85 Å²	85	77%	0.765	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-19.5	174	-103.8	-93.3	0	0	0	114.3
75	G	49.8	Very low	56.1	Low	71 Å²	71	82.5 Å²	82.5	73%	0.732	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-3	-178.4	0	0	0	0	0	117.3	N73 S77	N73-G75 PolarHBondContact O-N 3.37Å; G75-S77 PolarHBondContact O-N 3.27Å
76	M	65.1	Low	57.8	Low	37 Å²	37	83.4 Å²	83.4	18%	0.182	43%	0.425	C	S	.	.			trans	-68.8	125.8	-169.3	-161.4	178.3	-56.5	0	0	113.3	N73 K80 L81 I84 K136	N73-M76 HydrophobicContact CB-CE 4.07Å; N73-M76 PolarHBondContact O-N 3.46Å; M76-K80 HydrophobicContact CG-CB 4.12Å; M76-K80 HydrophobicContact CG-CD 4.2Å; M76-K80 HydrophobicContact CG-CG 4.29Å; M76-K80 HydrophobicContact SD-CG 4.44Å; M76-L81 HydrophobicContact SD-CD1 4.23Å; M76-I84 HydrophobicContact CE-CD1 4.43Å; M76-I84 HydrophobicContact SD-CD1 3.56Å; M76-I84 VanDerWaalsContact SD-CD1 3.56Å; M76-K136 PolarHBondContact O-NZ 3.13Å
77	S	72	Confident	59.4	Low	59 Å²	59	82.3 Å²	82.3	41%	0.413	43%	0.426	S	S	.	.			trans	-65	150.8	-177.3	67.7	0	0	0	0	113.4	G75 S79 K80 L81	G75-S77 PolarHBondContact O-N 3.27Å; S77-S79 VanDerWaalsContact C-N 3.3Å; S77-S79 PolarHBondContact O-N 3.22Å; S77-S79 PolarHBondContact OG-OG 3.31Å; S77-K80 PolarHBondContact O-N 3.28Å; S77-K80 VanDerWaalsContact O-N 3.1Å; S77-K80 WeakPolarHBondContact OG-CB 3.38Å; S77-L81 PolarHBondContact O-N 3.43Å
78	L	72	Confident	60.9	Low	41 Å²	41	78.9 Å²	78.9	22%	0.215	41%	0.414	C	S	.	.	H	α-helix	trans	-58.3	-40.2	-176.8	-178.5	64.3	0	0	0	112.3	K80 L81 D82 K136 R137	L78-K80 VanDerWaalsContact C-N 3.34Å; L78-K80 PolarHBondContact O-N 3.14Å; L78-L81 PolarHBondContact O-N 2.95Å; L78-D82 PolarHBondContact O-N 3.44Å; L78-K136 HydrophobicContact CD1-CB 4.16Å; L78-K136 HydrophobicContact CD1-CG 4.22Å; L78-R137 HydrophobicContact CD1-CG 4.04Å; L78-R137 HydrophobicContact CD2-CG 4.1Å
79	S	74.8	Confident	62.4	Low	82 Å²	82	76.8 Å²	76.8	57%	0.573	40%	0.402	S	S	*	.	H	α-helix	trans	-64.9	-34	177.5	57.8	0	0	0	0	113.4	S77 K83	S77-S79 VanDerWaalsContact C-N 3.3Å; S77-S79 PolarHBondContact O-N 3.22Å; S77-S79 PolarHBondContact OG-OG 3.31Å; S79-K83 WeakPolarHBondContact O-CG 3.28Å; S79-K83 PolarHBondContact O-N 3.15Å
80	K	74.5	Confident	64	Low	133 Å²	133	76.8 Å²	76.8	58%	0.578	41%	0.406	S	S	*	.	H	α-helix	trans	-73.7	-39.3	176.4	-157.5	169.3	-171.9	176.2	0	110.7	M76 S77 L78 K83 I84	M76-K80 HydrophobicContact CG-CB 4.12Å; M76-K80 HydrophobicContact CG-CD 4.2Å; M76-K80 HydrophobicContact CG-CG 4.29Å; M76-K80 HydrophobicContact SD-CG 4.44Å; S77-K80 PolarHBondContact O-N 3.28Å; S77-K80 VanDerWaalsContact O-N 3.1Å; S77-K80 WeakPolarHBondContact OG-CB 3.38Å; L78-K80 VanDerWaalsContact C-N 3.34Å; L78-K80 PolarHBondContact O-N 3.14Å; K80-K83 PolarHBondContact O-N 3.03Å; K80-I84 WeakPolarHBondContact O-CG1 3.44Å; K80-I84 PolarHBondContact O-N 3.28Å
81	L	69.5	Low	65.3	Low	13 Å²	13	81.3 Å²	81.3	7%	0.068	43%	0.425	C	S	.	.	H	α-helix	trans	-64.9	-44.1	175.2	-159.2	74.9	0	0	0	112.4	M76 S77 L78 I84 T85 H132 V133	M76-L81 HydrophobicContact SD-CD1 4.23Å; S77-L81 PolarHBondContact O-N 3.43Å; L78-L81 PolarHBondContact O-N 2.95Å; L81-I84 PolarHBondContact O-N 2.8Å; L81-T85 WeakPolarHBondContact O-CB 3.41Å; L81-T85 PolarHBondContact O-N 3.17Å; L81-T85 PolarHBondContact O-OG1 3.09Å; L81-H132 HydrophobicContact CD2-CB 4.22Å; L81-V133 HydrophobicContact CB-CG2 4.41Å; L81-V133 HydrophobicContact CD2-CB 4.38Å; L81-V133 HydrophobicContact CD2-CG2 3.61Å; L81-V133 HydrophobicContact CG-CG2 3.78Å
82	D	71.4	Confident	66.7	Low	29 Å²	29	77 Å²	77	16%	0.155	41%	0.405	C	S	.	.	H	α-helix	trans	-62.4	-42.6	175.2	-101.9	22.3	0	0	0	111.7	L78 T85 R86 V133 R137	L78-D82 PolarHBondContact O-N 3.44Å; D82-T85 PolarHBondContact O-N 3Å; D82-R86 WeakPolarHBondContact O-CG 3.45Å; D82-R86 PolarHBondContact O-N 3.02Å; D82-V133 WeakPolarHBondContact OD1-CG1 3.31Å; D82-R137 IonicContact OD1-NH2 3.03Å; D82-R137 PolarHBondContact OD1-NH2 3.43Å; D82-R137 IonicContact OD2-CZ 2.74Å; D82-R137 IonicContact OD2-NH2 3.44Å; D82-R137 PolarHBondContact OD2-NH2 3.21Å
83	K	76.5	Confident	67.9	Low	167 Å²	167	77 Å²	77	73%	0.726	40%	0.399	S	S	*	.	H	α-helix	trans	-60.7	-44.9	175.3	-81	-178.4	176.6	-177.4	0	112.1	S79 K80 S87	S79-K83 WeakPolarHBondContact O-CG 3.28Å; S79-K83 PolarHBondContact O-N 3.15Å; K80-K83 PolarHBondContact O-N 3.03Å; K83-S87 PolarHBondContact O-N 2.88Å; K83-S87 VanDerWaalsContact O-N 3.12Å
84	I	72.4	Confident	69.6	Low	48 Å²	48	80 Å²	80	25%	0.246	41%	0.409	C	S	.	.	H	α-helix	trans	-61.6	-48.1	176.1	-69.6	164.5	0	0	0	110.1	M76 K80 L81 R86 S87 S88	M76-I84 HydrophobicContact CE-CD1 4.43Å; M76-I84 HydrophobicContact SD-CD1 3.56Å; M76-I84 VanDerWaalsContact SD-CD1 3.56Å; K80-I84 WeakPolarHBondContact O-CG1 3.44Å; K80-I84 PolarHBondContact O-N 3.28Å; L81-I84 PolarHBondContact O-N 2.8Å; I84-R86 PolarHBondContact O-N 3.48Å; I84-S87 WeakPolarHBondContact O-CB 3.42Å; I84-S87 PolarHBondContact O-N 3.34Å; I84-S87 VanDerWaalsContact O-N 3.13Å; I84-S88 PolarHBondContact O-N 3.48Å; I84-S88 PolarHBondContact O-OG 2.76Å; I84-S88 VanDerWaalsContact O-OG 3.11Å
85	T	68.7	Low	70.9	Confident	17 Å²	17	73.1 Å²	73.1	10%	0.104	38%	0.384	C	S	.	.	H	α-helix	trans	-60.4	-44.7	-178	-53	0	0	0	0	111.7	L81 D82 S87 S88 M89 M130	L81-T85 WeakPolarHBondContact O-CB 3.41Å; L81-T85 PolarHBondContact O-N 3.17Å; L81-T85 PolarHBondContact O-OG1 3.09Å; D82-T85 PolarHBondContact O-N 3Å; T85-S87 PolarHBondContact O-N 2.87Å; T85-S88 PolarHBondContact O-N 3.46Å; T85-M89 WeakPolarHBondContact O-CB 3.37Å; T85-M89 PolarHBondContact O-N 3.23Å; T85-M130 HydrophobicContact CG2-CG 3.73Å
86	R	73.2	Confident	71.9	Confident	182 Å²	182	74.5 Å²	74.5	69%	0.687	37%	0.368	S	S	*	.	H	α-helix	trans	-62.5	-38.8	174.8	-68.7	-176.9	-165.8	-163.4	5.6	112.8	D82 I84 M89 T90	D82-R86 WeakPolarHBondContact O-CG 3.45Å; D82-R86 PolarHBondContact O-N 3.02Å; I84-R86 PolarHBondContact O-N 3.48Å; R86-M89 PolarHBondContact O-N 3.31Å; R86-T90 PolarHBondContact O-N 3.49Å; R86-T90 VanDerWaalsContact O-N 3.08Å; R86-T90 PolarHBondContact O-OG1 3.03Å
87	S	73.1	Confident	72.2	Confident	57 Å²	57	79.4 Å²	79.4	40%	0.399	39%	0.386	S	S	.	.	H	α-helix	trans	-67.4	-39.1	176.5	-170.3	0	0	0	0	112.2	K83 I84 T85 T90 K91	K83-S87 PolarHBondContact O-N 2.88Å; K83-S87 VanDerWaalsContact O-N 3.12Å; I84-S87 WeakPolarHBondContact O-CB 3.42Å; I84-S87 PolarHBondContact O-N 3.34Å; I84-S87 VanDerWaalsContact O-N 3.13Å; T85-S87 PolarHBondContact O-N 2.87Å; S87-T90 WeakPolarHBondContact CA-OG1 3.42Å; S87-T90 PolarHBondContact O-OG1 3.43Å; S87-T90 VanDerWaalsContact O-OG1 3.07Å; S87-K91 WeakPolarHBondContact O-CG 3.18Å; S87-K91 PolarHBondContact O-N 2.94Å; S87-K91 VanDerWaalsContact O-N 3.13Å
88	S	67.7	Low	72.3	Confident	13 Å²	13	80.9 Å²	80.9	9%	0.091	39%	0.389	C	S	.	.	H	α-helix	trans	-66	-41.5	174.5	-60.1	0	0	0	0	111.8	I84 T85 K91 L92	I84-S88 PolarHBondContact O-N 3.48Å; I84-S88 PolarHBondContact O-OG 2.76Å; I84-S88 VanDerWaalsContact O-OG 3.11Å; T85-S88 PolarHBondContact O-N 3.46Å; S88-K91 PolarHBondContact O-N 2.67Å; S88-L92 PolarHBondContact O-N 3.33Å
89	M	70	Confident	72.3	Confident	78 Å²	78	79.3 Å²	79.3	38%	0.384	38%	0.381	S	S	.	.	H	α-helix	trans	-63.5	-43	177.6	-159.6	72.6	166.7	0	0	112.4	T85 R86 K91 L92 N93 V126	T85-M89 WeakPolarHBondContact O-CB 3.37Å; T85-M89 PolarHBondContact O-N 3.23Å; R86-M89 PolarHBondContact O-N 3.31Å; M89-K91 PolarHBondContact O-N 3.04Å; M89-L92 WeakPolarHBondContact O-CB 3.36Å; M89-L92 PolarHBondContact O-N 2.85Å; M89-L92 HydrophobicContact SD-CD2 4.42Å; M89-N93 PolarHBondContact O-N 2.87Å; M89-V126 HydrophobicContact SD-CG1 3.61Å
90	T	74.3	Confident	72.2	Confident	94 Å²	94	79.7 Å²	79.7	58%	0.577	37%	0.374	S	S	*	.	H	α-helix	trans	-66.5	-36.1	175.8	33.7	0	0	0	0	112.4	R86 S87 K94	R86-T90 PolarHBondContact O-N 3.49Å; R86-T90 VanDerWaalsContact O-N 3.08Å; R86-T90 PolarHBondContact O-OG1 3.03Å; S87-T90 WeakPolarHBondContact CA-OG1 3.42Å; S87-T90 PolarHBondContact O-OG1 3.43Å; S87-T90 VanDerWaalsContact O-OG1 3.07Å; T90-K94 PolarHBondContact O-N 3.3Å; T90-K94 VanDerWaalsContact O-N 3.13Å
91	K	72.4	Confident	72.2	Confident	114 Å²	114	77.8 Å²	77.8	50%	0.496	37%	0.37	S	S	.	.	H	α-helix	trans	-65.4	-42.4	170.6	-74.1	177.6	-178	177.8	0	112.4	S87 S88 M89 K94 I95	S87-K91 WeakPolarHBondContact O-CG 3.18Å; S87-K91 PolarHBondContact O-N 2.94Å; S87-K91 VanDerWaalsContact O-N 3.13Å; S88-K91 PolarHBondContact O-N 2.67Å; M89-K91 PolarHBondContact O-N 3.04Å; K91-K94 PolarHBondContact O-N 2.81Å; K91-I95 VanDerWaalsContact O-CG1 3.3Å; K91-I95 WeakPolarHBondContact O-CG1 3.48Å; K91-I95 PolarHBondContact O-N 3.33Å
92	L	72.4	Confident	72.1	Confident	23 Å²	23	80.1 Å²	80.1	12%	0.12	38%	0.382	C	S	.	.	H	α-helix	trans	-56.5	-52.6	176.2	-173.8	81.7	0	0	0	110.5	S88 M89 K94 I95 Y96 T122 M123 V126	S88-L92 PolarHBondContact O-N 3.33Å; M89-L92 WeakPolarHBondContact O-CB 3.36Å; M89-L92 PolarHBondContact O-N 2.85Å; M89-L92 HydrophobicContact SD-CD2 4.42Å; L92-K94 VanDerWaalsContact C-N 3.33Å; L92-K94 PolarHBondContact O-N 2.93Å; L92-I95 PolarHBondContact O-N 3.3Å; L92-I95 VanDerWaalsContact O-N 3.12Å; L92-Y96 WeakPolarHBondContact O-CB 3.29Å; L92-Y96 PolarHBondContact O-N 3.44Å; L92-T122 WeakPolarHBondContact CD1-OG1 3.45Å; L92-M123 HydrophobicContact CD1-CB 4.16Å; L92-V126 HydrophobicContact CB-CG2 4.34Å; L92-V126 HydrophobicContact CD2-CG2 4.48Å
93	N	72.6	Confident	71.5	Confident	77 Å²	77	82.1 Å²	82.1	41%	0.412	39%	0.392	S	S	.	.	H	α-helix	trans	-58.2	-44	179.3	-69.9	-0.1	0	0	0	111.5	M89 I95 Y96 Y97	M89-N93 PolarHBondContact O-N 2.87Å; N93-I95 VanDerWaalsContact C-N 3.34Å; N93-I95 PolarHBondContact O-N 3.03Å; N93-Y96 PolarHBondContact O-N 2.82Å; N93-Y97 VanDerWaalsContact O-CD2 3.25Å; N93-Y97 WeakPolarHBondContact O-CD2 3.34Å; N93-Y97 PolarHBondContact O-N 2.74Å
94	K	74.4	Confident	70.7	Confident	151 Å²	151	82.4 Å²	82.4	66%	0.657	40%	0.396	S	S	*	.	H	α-helix	trans	-64.3	-35.4	177.8	-166.5	168.1	-174	170.5	0	112.9	T90 K91 L92 N98	T90-K94 PolarHBondContact O-N 3.3Å; T90-K94 VanDerWaalsContact O-N 3.13Å; K91-K94 PolarHBondContact O-N 2.81Å; L92-K94 VanDerWaalsContact C-N 3.33Å; L92-K94 PolarHBondContact O-N 2.93Å; K94-N98 VanDerWaalsContact O-CB 3.3Å; K94-N98 WeakPolarHBondContact O-CB 3.33Å; K94-N98 PolarHBondContact O-N 3.31Å
95	I	72.2	Confident	70.2	Confident	49 Å²	49	88.6 Å²	88.6	25%	0.251	42%	0.421	S	S	.	.	H	α-helix	trans	-72.5	-39.9	175	-66.2	165.9	0	0	0	110.9	K91 L92 N93 T99 V119 T122	K91-I95 VanDerWaalsContact O-CG1 3.3Å; K91-I95 WeakPolarHBondContact O-CG1 3.48Å; K91-I95 PolarHBondContact O-N 3.33Å; L92-I95 PolarHBondContact O-N 3.3Å; L92-I95 VanDerWaalsContact O-N 3.12Å; N93-I95 VanDerWaalsContact C-N 3.34Å; N93-I95 PolarHBondContact O-N 3.03Å; I95-T99 WeakPolarHBondContact O-CB 3.31Å; I95-T99 PolarHBondContact O-N 2.91Å; I95-T99 PolarHBondContact O-OG1 2.68Å; I95-V119 HydrophobicContact CG2-CG2 4.01Å; I95-T122 HydrophobicContact CD1-CG2 4.12Å
96	Y	71.1	Confident	69.3	Low	101 Å²	101	89.6 Å²	89.6	40%	0.396	43%	0.429	S	S	.	.	H	α-helix	trans	-61.5	-55.5	177.9	-180	-93.7	0	0	0	111.3	L92 N93 N98 T99 Q100 W116 V119	L92-Y96 WeakPolarHBondContact O-CB 3.29Å; L92-Y96 PolarHBondContact O-N 3.44Å; N93-Y96 PolarHBondContact O-N 2.82Å; Y96-N98 PolarHBondContact O-N 3.41Å; Y96-T99 WeakPolarHBondContact O-CA 3.4Å; Y96-T99 WeakPolarHBondContact O-CB 3.21Å; Y96-T99 PolarHBondContact O-N 2.93Å; Y96-Q100 VanDerWaalsContact CE1-OE1 3.31Å; Y96-Q100 PolarHBondContact O-N 3.46Å; Y96-W116 HydrophobicContact CE2-CH2 4.26Å; Y96-W116 HydrophobicContact CE2-CZ3 4.37Å; Y96-V119 HydrophobicContact CD2-CG1 4.47Å
97	Y	70.7	Confident	68.3	Low	140 Å²	140	87.1 Å²	87.1	55%	0.549	44%	0.439	S	S	.	.	H	α-helix	trans	-59.9	-41.9	177.8	-78.1	-65.2	0	0	0	112.7	N93 T99 Q100 N101	N93-Y97 VanDerWaalsContact O-CD2 3.25Å; N93-Y97 WeakPolarHBondContact O-CD2 3.34Å; N93-Y97 PolarHBondContact O-N 2.74Å; Y97-T99 VanDerWaalsContact C-N 3.25Å; Y97-T99 PolarHBondContact O-N 3.06Å; Y97-Q100 PolarHBondContact O-N 3.48Å; Y97-N101 WeakPolarHBondContact O-CB 3.46Å; Y97-N101 PolarHBondContact O-N 3.26Å
98	N	75.4	Confident	67.5	Low	89 Å²	89	86.7 Å²	86.7	48%	0.476	44%	0.436	S	S	.	.	H	α-helix	trans	-65	-28	173.9	-82	-3.9	0	0	0	112.9	K94 Y96 N102	K94-N98 VanDerWaalsContact O-CB 3.3Å; K94-N98 WeakPolarHBondContact O-CB 3.33Å; K94-N98 PolarHBondContact O-N 3.31Å; Y96-N98 PolarHBondContact O-N 3.41Å; N98-N102 WeakPolarHBondContact O-CB 3.31Å; N98-N102 PolarHBondContact O-N 3.02Å; N98-N102 PolarHBondContact O-ND2 2.83Å
99	T	71.9	Confident	67.1	Low	9 Å²	9	93 Å²	93	6%	0.055	47%	0.469	C	S	.	.	H	α-helix	trans	-75.1	-46.9	176	-60.3	0	0	0	0	110	I95 Y96 Y97 N102 I103 R115 W116 V119	I95-T99 WeakPolarHBondContact O-CB 3.31Å; I95-T99 PolarHBondContact O-N 2.91Å; I95-T99 PolarHBondContact O-OG1 2.68Å; Y96-T99 WeakPolarHBondContact O-CA 3.4Å; Y96-T99 WeakPolarHBondContact O-CB 3.21Å; Y96-T99 PolarHBondContact O-N 2.93Å; Y97-T99 VanDerWaalsContact C-N 3.25Å; Y97-T99 PolarHBondContact O-N 3.06Å; T99-N102 PolarHBondContact O-N 3.49Å; T99-I103 HydrophobicContact CG2-CD1 4.11Å; T99-I103 WeakPolarHBondContact O-CG1 3.34Å; T99-I103 PolarHBondContact O-N 3.08Å; T99-I103 VanDerWaalsContact O-N 3.15Å; T99-R115 HydrophobicContact CG2-CB 3.81Å; T99-W116 HydrophobicContact CG2-CD2 4.49Å; T99-V119 HydrophobicContact CG2-CG2 4.38Å
100	Q	72.1	Confident	66.5	Low	90 Å²	90	94.6 Å²	94.6	42%	0.421	48%	0.479	S	S	.	.	H	α-helix	trans	-59.1	-50	178.6	-163.2	174.7	5.9	0	0	111.9	Y96 Y97 N102 I103	Y96-Q100 VanDerWaalsContact CE1-OE1 3.31Å; Y96-Q100 PolarHBondContact O-N 3.46Å; Y97-Q100 PolarHBondContact O-N 3.48Å; Q100-N102 VanDerWaalsContact C-N 3.26Å; Q100-N102 PolarHBondContact O-N 3.47Å; Q100-I103 PolarHBondContact O-N 2.81Å
101	N	73.5	Confident	66	Low	93 Å²	93	94 Å²	94	50%	0.497	47%	0.472	S	S	.	.	H	α-helix	trans	-65.2	-25.4	179.8	-72	-2.4	0	0	0	113.9	Y97	Y97-N101 WeakPolarHBondContact O-CB 3.46Å; Y97-N101 PolarHBondContact O-N 3.26Å
102	N	68.1	Low	65.7	Low	61 Å²	61	89.6 Å²	89.6	33%	0.326	46%	0.457	S	S	.	.	H	α-helix	trans	-91.1	-14.8	179.2	-77.7	-58.1	0	0	0	113.6	N98 T99 Q100 Q104 K105 S106	N98-N102 WeakPolarHBondContact O-CB 3.31Å; N98-N102 PolarHBondContact O-N 3.02Å; N98-N102 PolarHBondContact O-ND2 2.83Å; T99-N102 PolarHBondContact O-N 3.49Å; Q100-N102 VanDerWaalsContact C-N 3.26Å; Q100-N102 PolarHBondContact O-N 3.47Å; N102-Q104 VanDerWaalsContact C-N 3.3Å; N102-K105 PolarHBondContact O-N 2.96Å; N102-S106 PolarHBondContact O-N 2.91Å; N102-S106 PolarHBondContact O-OG 3.4Å
103	I	59.1	Low	65.2	Low	71 Å²	71	91.4 Å²	91.4	36%	0.364	47%	0.472	S	S	.	.	H	α-helix	trans	-66.6	-36.3	172.5	-73.4	161.6	0	0	0	110.2	T99 Q100 K105 W116	T99-I103 HydrophobicContact CG2-CD1 4.11Å; T99-I103 WeakPolarHBondContact O-CG1 3.34Å; T99-I103 PolarHBondContact O-N 3.08Å; T99-I103 VanDerWaalsContact O-N 3.15Å; Q100-I103 PolarHBondContact O-N 2.81Å; I103-K105 PolarHBondContact O-N 3.5Å; I103-W116 HydrophobicContact CD1-CZ2 3.76Å
104	Q	59.8	Low	65	Low	173 Å²	173	96.9 Å²	96.9	81%	0.808	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-4.3	172.5	-68.6	-177.7	-25.2	0	0	114.5	N102	N102-Q104 VanDerWaalsContact C-N 3.3Å
105	K	60.7	Low	64.7	Low	179 Å²	179	93.5 Å²	93.5	78%	0.778	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.8	-1.6	-173.9	-67	-170.6	176.8	-174	0	115.7	N102 I103	N102-K105 PolarHBondContact O-N 2.96Å; I103-K105 PolarHBondContact O-N 3.5Å
106	S	50.8	Low	64.7	Low	37 Å²	37	96.3 Å²	96.3	26%	0.259	48%	0.478	S	S	.	.			trans	-130.2	115.4	-175.5	63.7	0	0	0	0	113.4	N102 S108 R115	N102-S106 PolarHBondContact O-N 2.91Å; N102-S106 PolarHBondContact O-OG 3.4Å; S106-S108 VanDerWaalsContact C-N 3.28Å; S106-S108 PolarHBondContact O-N 3.02Å; S106-R115 PolarHBondContact OG-NH1 3.28Å
107	S	51.5	Low	64.6	Low	130 Å²	130	97 Å²	97	91%	0.909	48%	0.483	S	S	*	.			trans	-74.5	-6	178.3	52.1	0	0	0	0	115.3
108	S	56.5	Low	64.5	Low	48 Å²	48	95.3 Å²	95.3	34%	0.336	48%	0.478	S	S	.	.			trans	-97.6	112	-176.5	66.6	0	0	0	0	113.1	S106 D110 N111	S106-S108 VanDerWaalsContact C-N 3.28Å; S106-S108 PolarHBondContact O-N 3.02Å; S108-D110 VanDerWaalsContact C-N 3.33Å; S108-D110 PolarHBondContact O-N 2.65Å; S108-N111 PolarHBondContact O-N 3.06Å; S108-N111 PolarHBondContact OG-ND2 3.41Å
109	N	58.9	Low	64.2	Low	145 Å²	145	91.7 Å²	91.7	78%	0.775	46%	0.459	S	S	*	.	H	α-helix	trans	-56.4	-37	-178.9	-83	-21.2	0	0	0	114.7	N111 A112 S113	N109-N111 VanDerWaalsContact C-N 3.32Å; N109-N111 PolarHBondContact O-N 3.27Å; N109-A112 WeakPolarHBondContact O-CB 3.33Å; N109-A112 PolarHBondContact O-N 2.87Å; N109-A112 VanDerWaalsContact O-N 3.16Å; N109-S113 PolarHBondContact O-N 3.43Å; N109-S113 VanDerWaalsContact O-N 3.07Å
110	D	58.7	Low	63.9	Low	112 Å²	112	97 Å²	97	60%	0.599	48%	0.483	S	S	*	.	H	α-helix	trans	-63.4	-35.1	-178.3	-86	-19.3	0	0	0	113.2	S108 S113 R114	S108-D110 VanDerWaalsContact C-N 3.33Å; S108-D110 PolarHBondContact O-N 2.65Å; D110-S113 PolarHBondContact O-N 3.33Å; D110-R114 PolarHBondContact O-N 2.65Å; D110-R114 VanDerWaalsContact O-N 3.14Å
111	N	64.2	Low	63.6	Low	81 Å²	81	96.1 Å²	96.1	43%	0.433	49%	0.487	S	S	.	.	H	α-helix	trans	-71.6	-32.4	176.4	-79.1	-39.3	0	0	0	112.3	S108 N109 R115	S108-N111 PolarHBondContact O-N 3.06Å; S108-N111 PolarHBondContact OG-ND2 3.41Å; N109-N111 VanDerWaalsContact C-N 3.32Å; N109-N111 PolarHBondContact O-N 3.27Å; N111-R115 WeakPolarHBondContact O-CG 3.41Å; N111-R115 PolarHBondContact O-N 2.8Å
112	A	64.2	Low	63.2	Low	22 Å²	22	93.1 Å²	93.1	18%	0.182	47%	0.472	C	S	.	.	H	α-helix	trans	-65.8	-46.4	173	0	0	0	0	0	110.9	N109 R114 R115 W116	N109-A112 WeakPolarHBondContact O-CB 3.33Å; N109-A112 PolarHBondContact O-N 2.87Å; N109-A112 VanDerWaalsContact O-N 3.16Å; A112-R114 PolarHBondContact O-N 3.32Å; A112-R115 PolarHBondContact O-N 2.85Å; A112-R115 VanDerWaalsContact O-N 3.17Å; A112-W116 VanDerWaalsContact O-CD1 3.31Å; A112-W116 PolarHBondContact O-N 2.98Å
113	S	63.6	Low	63.3	Low	62 Å²	62	94.7 Å²	94.7	43%	0.434	48%	0.478	S	S	.	.	H	α-helix	trans	-57.8	-45.9	177.6	-176.7	0	0	0	0	112.6	N109 D110 R115 W116 K117	N109-S113 PolarHBondContact O-N 3.43Å; N109-S113 VanDerWaalsContact O-N 3.07Å; D110-S113 PolarHBondContact O-N 3.33Å; S113-R115 PolarHBondContact O-N 3.08Å; S113-W116 PolarHBondContact O-N 2.71Å; S113-K117 PolarHBondContact O-N 3.03Å
114	R	67.8	Low	63.3	Low	192 Å²	192	98.2 Å²	98.2	73%	0.725	49%	0.491	S	S	*	.	H	α-helix	trans	-61.1	-39.4	175.8	-74.2	-179.7	175	-177.2	-1.8	113	D110 A112 K118	D110-R114 PolarHBondContact O-N 2.65Å; D110-R114 VanDerWaalsContact O-N 3.14Å; A112-R114 PolarHBondContact O-N 3.32Å; R114-K118 PolarHBondContact O-N 3.03Å
115	R	68.9	Low	63.6	Low	80 Å²	80	90.6 Å²	90.6	30%	0.302	46%	0.456	S	S	.	.	H	α-helix	trans	-67.8	-44.6	177.1	-71.8	171.1	176.3	158.1	-4.1	111.8	T99 S106 N111 A112 S113 K118 V119	T99-R115 HydrophobicContact CG2-CB 3.81Å; S106-R115 PolarHBondContact OG-NH1 3.28Å; N111-R115 WeakPolarHBondContact O-CG 3.41Å; N111-R115 PolarHBondContact O-N 2.8Å; A112-R115 PolarHBondContact O-N 2.85Å; A112-R115 VanDerWaalsContact O-N 3.17Å; S113-R115 PolarHBondContact O-N 3.08Å; R115-K118 WeakPolarHBondContact O-CB 3.15Å; R115-K118 PolarHBondContact O-N 2.82Å; R115-K118 VanDerWaalsContact O-N 3.1Å; R115-V119 PolarHBondContact O-N 2.86Å; R115-V119 VanDerWaalsContact O-N 3.11Å
116	W	71.9	Confident	63.9	Low	108 Å²	108	82.3 Å²	82.3	41%	0.409	42%	0.421	S	S	.	.	H	α-helix	trans	-64.6	-38.7	177.1	-79.4	114.1	0	0	0	113.2	Y96 T99 I103 A112 S113 K118 V119 Q120	Y96-W116 HydrophobicContact CE2-CH2 4.26Å; Y96-W116 HydrophobicContact CE2-CZ3 4.37Å; T99-W116 HydrophobicContact CG2-CD2 4.49Å; I103-W116 HydrophobicContact CD1-CZ2 3.76Å; A112-W116 VanDerWaalsContact O-CD1 3.31Å; A112-W116 PolarHBondContact O-N 2.98Å; S113-W116 PolarHBondContact O-N 2.71Å; W116-K118 VanDerWaalsContact C-N 3.27Å; W116-K118 PolarHBondContact O-N 2.96Å; W116-V119 HydrophobicContact CE3-CB 4.31Å; W116-V119 HydrophobicContact CE3-CG1 4.4Å; W116-V119 HydrophobicContact CZ3-CG1 4.4Å; W116-V119 PolarHBondContact O-N 2.94Å; W116-Q120 PolarHBondContact O-N 3.48Å
117	K	68.6	Low	64.6	Low	114 Å²	114	84.9 Å²	84.9	50%	0.496	43%	0.431	S	S	.	.	H	α-helix	trans	-56.8	-40.7	169.8	-76.9	-174.3	175.9	-173.5	0	112	S113 V119 Q120 C121	S113-K117 PolarHBondContact O-N 3.03Å; K117-V119 PolarHBondContact O-N 3.48Å; K117-Q120 PolarHBondContact O-N 2.97Å; K117-C121 PolarHBondContact O-N 2.94Å; K117-C121 PolarHBondContact O-SG 3.19Å
118	K	68.4	Low	65	Low	106 Å²	106	79.9 Å²	79.9	46%	0.461	40%	0.396	S	S	.	.	H	α-helix	trans	-63.3	-40.8	177.2	-159.6	165.6	-172.2	163.7	0	112	R114 R115 W116 T122	R114-K118 PolarHBondContact O-N 3.03Å; R115-K118 WeakPolarHBondContact O-CB 3.15Å; R115-K118 PolarHBondContact O-N 2.82Å; R115-K118 VanDerWaalsContact O-N 3.1Å; W116-K118 VanDerWaalsContact C-N 3.27Å; W116-K118 PolarHBondContact O-N 2.96Å; K118-T122 PolarHBondContact O-N 2.84Å; K118-T122 VanDerWaalsContact O-N 3.15Å; K118-T122 PolarHBondContact O-OG1 2.73Å
119	V	69.2	Low	65.3	Low	12 Å²	12	77.6 Å²	77.6	7%	0.073	38%	0.38	C	S	.	.	H	α-helix	trans	-63.4	-46.6	173.2	176.3	0	0	0	0	111.5	I95 Y96 T99 R115 W116 K117 C121 T122 M123	I95-V119 HydrophobicContact CG2-CG2 4.01Å; Y96-V119 HydrophobicContact CD2-CG1 4.47Å; T99-V119 HydrophobicContact CG2-CG2 4.38Å; R115-V119 PolarHBondContact O-N 2.86Å; R115-V119 VanDerWaalsContact O-N 3.11Å; W116-V119 HydrophobicContact CE3-CB 4.31Å; W116-V119 HydrophobicContact CE3-CG1 4.4Å; W116-V119 HydrophobicContact CZ3-CG1 4.4Å; W116-V119 PolarHBondContact O-N 2.94Å; K117-V119 PolarHBondContact O-N 3.48Å; V119-C121 PolarHBondContact O-N 2.69Å; V119-T122 PolarHBondContact O-N 2.61Å; V119-T122 PolarHBondContact O-OG1 2.87Å; V119-M123 WeakPolarHBondContact O-CB 3.44Å; V119-M123 PolarHBondContact O-N 2.81Å
120	Q	65	Low	65.8	Low	120 Å²	120	73.7 Å²	73.7	56%	0.561	36%	0.358	S	S	*	.	H	α-helix	trans	-61.2	-43.7	178.6	-75.2	-177.4	-23.2	0	0	112.3	W116 K117 M123 K124	W116-Q120 PolarHBondContact O-N 3.48Å; K117-Q120 PolarHBondContact O-N 2.97Å; Q120-M123 PolarHBondContact O-N 2.98Å; Q120-K124 PolarHBondContact O-N 3.34Å
121	C	65.4	Low	66.1	Low	73 Å²	73	72.6 Å²	72.6	49%	0.493	35%	0.352	S	S	.	.	H	α-helix	trans	-61.5	-47.7	176.3	-73.8	0	0	0	0	111.9	K117 V119 M123 K124 V125	K117-C121 PolarHBondContact O-N 2.94Å; K117-C121 PolarHBondContact O-SG 3.19Å; V119-C121 PolarHBondContact O-N 2.69Å; C121-M123 VanDerWaalsContact C-N 3.32Å; C121-M123 PolarHBondContact O-N 2.93Å; C121-K124 PolarHBondContact O-N 2.9Å; C121-V125 WeakPolarHBondContact O-CG2 3.28Å; C121-V125 PolarHBondContact O-N 3.33Å
122	T	67.1	Low	66.2	Low	30 Å²	30	71.9 Å²	71.9	18%	0.184	35%	0.346	C	S	.	.	H	α-helix	trans	-66.2	-33.7	177.4	45.7	0	0	0	0	112.6	L92 I95 K118 V119 V125 V126	L92-T122 WeakPolarHBondContact CD1-OG1 3.45Å; I95-T122 HydrophobicContact CD1-CG2 4.12Å; K118-T122 PolarHBondContact O-N 2.84Å; K118-T122 VanDerWaalsContact O-N 3.15Å; K118-T122 PolarHBondContact O-OG1 2.73Å; V119-T122 PolarHBondContact O-N 2.61Å; V119-T122 PolarHBondContact O-OG1 2.87Å; T122-V125 WeakPolarHBondContact O-CB 3.3Å; T122-V125 PolarHBondContact O-N 3.29Å; T122-V126 WeakPolarHBondContact O-CG2 3.47Å; T122-V126 PolarHBondContact O-N 2.81Å
123	M	68.2	Low	66.4	Low	94 Å²	94	71.4 Å²	71.4	46%	0.463	34%	0.34	S	S	.	.	H	α-helix	trans	-65.2	-40.1	175.9	-165.7	164.8	78.5	0	0	112.1	L92 V119 Q120 C121 V125 V126 L127	L92-M123 HydrophobicContact CD1-CB 4.16Å; V119-M123 WeakPolarHBondContact O-CB 3.44Å; V119-M123 PolarHBondContact O-N 2.81Å; Q120-M123 PolarHBondContact O-N 2.98Å; C121-M123 VanDerWaalsContact C-N 3.32Å; C121-M123 PolarHBondContact O-N 2.93Å; M123-V125 PolarHBondContact O-N 3.37Å; M123-V126 PolarHBondContact O-N 3.43Å; M123-L127 HydrophobicContact CG-CD1 4.14Å; M123-L127 HydrophobicContact CG-CG 4.46Å; M123-L127 WeakPolarHBondContact O-CG 3.28Å; M123-L127 PolarHBondContact O-N 3.21Å
124	K	60.6	Low	66.6	Low	144 Å²	144	74.2 Å²	74.2	63%	0.626	35%	0.345	S	S	*	.	H	α-helix	trans	-60.3	-43.1	173.4	-74.1	-177.3	176.8	-176.5	0	112.5	Y67 Q120 C121 V126 S128	Y67-K124 PolarHBondContact OH-O 3.37Å; Q120-K124 PolarHBondContact O-N 3.34Å; C121-K124 PolarHBondContact O-N 2.9Å; K124-V126 PolarHBondContact O-N 3.01Å; K124-S128 WeakPolarHBondContact O-CB 3.29Å; K124-S128 PolarHBondContact O-N 3.01Å
125	V	64.7	Low	66.4	Low	13 Å²	13	68.7 Å²	68.7	8%	0.079	33%	0.329	C	S	.	.	H	α-helix	trans	-58	-49	174.7	-175.3	0	0	0	0	110.6	Y67 I70 C121 T122 M123 S128 S129	Y67-V125 HydrophobicContact CD2-CB 4.37Å; Y67-V125 HydrophobicContact CD2-CG2 3.53Å; Y67-V125 HydrophobicContact CE2-CB 4.09Å; Y67-V125 HydrophobicContact CE2-CG2 3.48Å; Y67-V125 VanDerWaalsContact CE2-CG2 3.48Å; I70-V125 HydrophobicContact CD1-CG1 4.48Å; C121-V125 WeakPolarHBondContact O-CG2 3.28Å; C121-V125 PolarHBondContact O-N 3.33Å; T122-V125 WeakPolarHBondContact O-CB 3.3Å; T122-V125 PolarHBondContact O-N 3.29Å; M123-V125 PolarHBondContact O-N 3.37Å; V125-S128 PolarHBondContact O-N 3.11Å; V125-S129 PolarHBondContact O-N 3.02Å; V125-S129 PolarHBondContact O-OG 3.12Å
126	V	67	Low	66.3	Low	6 Å²	6	68.1 Å²	68.1	4%	0.036	33%	0.329	C	S	.	.	H	α-helix	trans	-63.5	-48.2	-176.8	169.8	0	0	0	0	110.8	M89 L92 T122 M123 K124 S128 S129 M130	M89-V126 HydrophobicContact SD-CG1 3.61Å; L92-V126 HydrophobicContact CB-CG2 4.34Å; L92-V126 HydrophobicContact CD2-CG2 4.48Å; T122-V126 WeakPolarHBondContact O-CG2 3.47Å; T122-V126 PolarHBondContact O-N 2.81Å; M123-V126 PolarHBondContact O-N 3.43Å; K124-V126 PolarHBondContact O-N 3.01Å; V126-S128 PolarHBondContact O-N 3.39Å; V126-S129 PolarHBondContact O-N 2.82Å; V126-S129 PolarHBondContact O-OG 3.12Å; V126-M130 HydrophobicContact CG1-CG 4.39Å; V126-M130 HydrophobicContact CG1-SD 3.92Å; V126-M130 WeakPolarHBondContact O-CG 3.38Å; V126-M130 PolarHBondContact O-N 2.84Å
127	L	65.9	Low	66.2	Low	90 Å²	90	68.6 Å²	68.6	47%	0.471	33%	0.331	S	S	.	.	H	α-helix	trans	-59.3	-46.8	178.1	-70	170.5	0	0	0	111.8	M123 S129 M130 D131	M123-L127 HydrophobicContact CG-CD1 4.14Å; M123-L127 HydrophobicContact CG-CG 4.46Å; M123-L127 WeakPolarHBondContact O-CG 3.28Å; M123-L127 PolarHBondContact O-N 3.21Å; L127-S129 VanDerWaalsContact C-N 3.33Å; L127-S129 PolarHBondContact O-N 3.15Å; L127-M130 PolarHBondContact O-N 2.87Å; L127-M130 VanDerWaalsContact O-N 3.16Å; L127-D131 PolarHBondContact O-N 3.27Å
128	S	60.5	Low	65.8	Low	25 Å²	25	68.9 Å²	68.9	18%	0.175	33%	0.332	C	S	.	.	H	α-helix	trans	-58	-42.9	175.1	175.2	0	0	0	0	112.3	K124 V125 V126 D131 H132	K124-S128 WeakPolarHBondContact O-CB 3.29Å; K124-S128 PolarHBondContact O-N 3.01Å; V125-S128 PolarHBondContact O-N 3.11Å; V126-S128 PolarHBondContact O-N 3.39Å; S128-D131 PolarHBondContact O-N 3.33Å; S128-H132 PolarHBondContact O-CD2 3.25Å; S128-H132 PolarHBondContact O-N 3.04Å; S128-H132 VanDerWaalsContact O-N 3.08Å
129	S	63	Low	65.1	Low	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-66.3	-38.2	175.9	69.9	0	0	0	0	113.2	V125 V126 L127 H132 V133	V125-S129 PolarHBondContact O-N 3.02Å; V125-S129 PolarHBondContact O-OG 3.12Å; V126-S129 PolarHBondContact O-N 2.82Å; V126-S129 PolarHBondContact O-OG 3.12Å; L127-S129 VanDerWaalsContact C-N 3.33Å; L127-S129 PolarHBondContact O-N 3.15Å; S129-H132 PolarHBondContact O-N 2.82Å; S129-V133 WeakPolarHBondContact O-CG2 3.41Å; S129-V133 PolarHBondContact O-N 3.23Å
130	M	69.6	Low	64.4	Low	63 Å²	63	72.2 Å²	72.2	31%	0.31	35%	0.35	S	S	.	.	H	α-helix	trans	-66.9	-37	176.4	-72.6	177.7	69.2	0	0	112.2	T85 V126 L127 V133 K134	T85-M130 HydrophobicContact CG2-CG 3.73Å; V126-M130 HydrophobicContact CG1-CG 4.39Å; V126-M130 HydrophobicContact CG1-SD 3.92Å; V126-M130 WeakPolarHBondContact O-CG 3.38Å; V126-M130 PolarHBondContact O-N 2.84Å; L127-M130 PolarHBondContact O-N 2.87Å; L127-M130 VanDerWaalsContact O-N 3.16Å; M130-V133 PolarHBondContact O-N 2.97Å; M130-K134 WeakPolarHBondContact O-CG 3.23Å; M130-K134 PolarHBondContact O-N 3.5Å
131	D	64.1	Low	63.9	Low	89 Å²	89	72.4 Å²	72.4	48%	0.476	36%	0.355	S	S	.	.	H	α-helix	trans	-71	-36.1	176.5	-71.3	-22.2	0	0	0	111.7	L127 S128 K134 L135	L127-D131 PolarHBondContact O-N 3.27Å; S128-D131 PolarHBondContact O-N 3.33Å; D131-K134 PolarHBondContact O-N 2.97Å; D131-K134 IonicContact OD1-NZ 2.73Å; D131-K134 PolarHBondContact OD1-NZ 3.39Å; D131-L135 WeakPolarHBondContact O-CB 3.36Å; D131-L135 PolarHBondContact O-N 3.38Å
132	H	65.6	Low	62.9	Low	67 Å²	67	72.6 Å²	72.6	31%	0.31	35%	0.351	S	S	.	.	H	α-helix	trans	-61.4	-40.5	167.9	-92.7	-92.3	0	0	0	112.7	L81 S128 S129 K136	L81-H132 HydrophobicContact CD2-CB 4.22Å; S128-H132 PolarHBondContact O-CD2 3.25Å; S128-H132 PolarHBondContact O-N 3.04Å; S128-H132 VanDerWaalsContact O-N 3.08Å; S129-H132 PolarHBondContact O-N 2.82Å; H132-K136 WeakPolarHBondContact O-CB 3.44Å; H132-K136 PolarHBondContact O-N 3.47Å
133	V	68.8	Low	61.8	Low	11 Å²	11	77 Å²	77	7%	0.067	37%	0.374	C	S	.	.	H	α-helix	trans	-63	-47.1	173.5	168.7	0	0	0	0	111.1	L81 D82 S129 M130 L135 K136 R137	L81-V133 HydrophobicContact CB-CG2 4.41Å; L81-V133 HydrophobicContact CD2-CB 4.38Å; L81-V133 HydrophobicContact CD2-CG2 3.61Å; L81-V133 HydrophobicContact CG-CG2 3.78Å; D82-V133 WeakPolarHBondContact OD1-CG1 3.31Å; S129-V133 WeakPolarHBondContact O-CG2 3.41Å; S129-V133 PolarHBondContact O-N 3.23Å; M130-V133 PolarHBondContact O-N 2.97Å; V133-L135 PolarHBondContact O-N 2.8Å; V133-K136 PolarHBondContact O-N 2.78Å; V133-R137 HydrophobicContact CG1-CG 4.49Å; V133-R137 WeakPolarHBondContact O-CG 3.37Å; V133-R137 PolarHBondContact O-N 3.18Å
134	K	68.7	Low	60.5	Low	121 Å²	121	79.1 Å²	79.1	53%	0.526	39%	0.387	S	S	.	.	H	α-helix	trans	-59.8	-45.9	177	-74.4	172.5	-173.3	164.3	0	111.7	M130 D131 K136 R137 K138	M130-K134 WeakPolarHBondContact O-CG 3.23Å; M130-K134 PolarHBondContact O-N 3.5Å; D131-K134 PolarHBondContact O-N 2.97Å; D131-K134 IonicContact OD1-NZ 2.73Å; D131-K134 PolarHBondContact OD1-NZ 3.39Å; K134-K136 VanDerWaalsContact C-N 3.35Å; K134-K136 PolarHBondContact O-N 2.9Å; K134-R137 PolarHBondContact O-N 3.35Å; K134-K138 WeakPolarHBondContact O-CG 3.47Å; K134-K138 PolarHBondContact O-N 3.39Å
135	L	63.8	Low	59.2	Low	76 Å²	76	78.4 Å²	78.4	40%	0.398	39%	0.39	S	S	.	.	H	α-helix	trans	-59.9	-46.1	177.2	-168.1	79.4	0	0	0	110.6	D131 V133 K138 L139	D131-L135 WeakPolarHBondContact O-CB 3.36Å; D131-L135 PolarHBondContact O-N 3.38Å; V133-L135 PolarHBondContact O-N 2.8Å; L135-K138 PolarHBondContact O-N 2.87Å; L135-L139 HydrophobicContact CG-CD1 4.36Å; L135-L139 WeakPolarHBondContact O-CG 3.41Å; L135-L139 PolarHBondContact O-N 2.91Å
136	K	67.3	Low	57.7	Low	69 Å²	69	85.1 Å²	85.1	30%	0.3	43%	0.425	S	S	.	.	H	α-helix	trans	-71.2	-31.9	-178.4	-163.1	156.4	-168.3	155.1	0	113.3	M76 L78 H132 V133 K134 H140	M76-K136 PolarHBondContact O-NZ 3.13Å; L78-K136 HydrophobicContact CD1-CB 4.16Å; L78-K136 HydrophobicContact CD1-CG 4.22Å; H132-K136 WeakPolarHBondContact O-CB 3.44Å; H132-K136 PolarHBondContact O-N 3.47Å; V133-K136 PolarHBondContact O-N 2.78Å; K134-K136 VanDerWaalsContact C-N 3.35Å; K134-K136 PolarHBondContact O-N 2.9Å; K136-H140 WeakPolarHBondContact O-CB 3.47Å; K136-H140 PolarHBondContact O-N 2.74Å
137	R	68.6	Low	56.1	Low	118 Å²	118	94 Å²	94	45%	0.445	47%	0.467	S	S	.	.	H	α-helix	trans	-67.6	-41.9	169.4	-72.4	-174.2	-170.1	175.7	3.5	112.3	L78 D82 V133 K134 L139 H140 N141	L78-R137 HydrophobicContact CD1-CG 4.04Å; L78-R137 HydrophobicContact CD2-CG 4.1Å; D82-R137 IonicContact OD1-NH2 3.03Å; D82-R137 PolarHBondContact OD1-NH2 3.43Å; D82-R137 IonicContact OD2-CZ 2.74Å; D82-R137 IonicContact OD2-NH2 3.44Å; D82-R137 PolarHBondContact OD2-NH2 3.21Å; V133-R137 HydrophobicContact CG1-CG 4.49Å; V133-R137 WeakPolarHBondContact O-CG 3.37Å; V133-R137 PolarHBondContact O-N 3.18Å; K134-R137 PolarHBondContact O-N 3.35Å; R137-L139 PolarHBondContact O-N 3.4Å; R137-H140 PolarHBondContact O-N 2.75Å; R137-N141 PolarHBondContact O-N 2.94Å; R137-N141 PolarHBondContact O-OD1 2.98Å
138	K	60.7	Low	54.5	Low	119 Å²	119	94.9 Å²	94.9	52%	0.517	47%	0.471	S	S	.	.	H	α-helix	trans	-58.9	-45.6	173.1	-77.3	-174.7	174	-172.3	0	111.7	K134 L135 N142	K134-K138 WeakPolarHBondContact O-CG 3.47Å; K134-K138 PolarHBondContact O-N 3.39Å; L135-K138 PolarHBondContact O-N 2.87Å; K138-N142 WeakPolarHBondContact O-CB 3.32Å; K138-N142 PolarHBondContact O-N 3.33Å; K138-N142 VanDerWaalsContact O-N 3.1Å
139	L	52.8	Low	53.4	Low	76 Å²	76	95.4 Å²	95.4	40%	0.398	48%	0.475	S	S	.	.	H	α-helix	trans	-63.6	-41.3	175.8	-69.9	168.2	0	0	0	112.4	L135 R137 N142 N143	L135-L139 HydrophobicContact CG-CD1 4.36Å; L135-L139 WeakPolarHBondContact O-CG 3.41Å; L135-L139 PolarHBondContact O-N 2.91Å; R137-L139 PolarHBondContact O-N 3.4Å; L139-N142 PolarHBondContact O-N 3.35Å; L139-N143 PolarHBondContact O-N 3.4Å; L139-N143 PolarHBondContact O-OD1 3.5Å
140	H	55.9	Low	52.2	Low	113 Å²	113	106.6 Å²	106.6	52%	0.523	52%	0.517	S	S	.	.	H	α-helix	trans	-68.6	-38.6	-179.7	-161.4	-11.2	0	0	0	112.8	K136 R137	K136-H140 WeakPolarHBondContact O-CB 3.47Å; K136-H140 PolarHBondContact O-N 2.74Å; R137-H140 PolarHBondContact O-N 2.75Å
141	N	53.8	Low	50.7	Low	124 Å²	124	113 Å²	113	66%	0.663	54%	0.538	S	S	*	.	H	α-helix	trans	-71.1	-32.1	177.1	-72.8	16.1	0	0	0	112.5	R137	R137-N141 PolarHBondContact O-N 2.94Å; R137-N141 PolarHBondContact O-OD1 2.98Å
142	N	44.5	Very low	49.3	Very low	76 Å²	76	112.6 Å²	112.6	41%	0.406	54%	0.536	S	S	.	.	H	α-helix	trans	-74.9	-25.2	177.2	-81.1	17.1	0	0	0	113.5	K138 L139 N144 N145 S149	K138-N142 WeakPolarHBondContact O-CB 3.32Å; K138-N142 PolarHBondContact O-N 3.33Å; K138-N142 VanDerWaalsContact O-N 3.1Å; L139-N142 PolarHBondContact O-N 3.35Å; N142-N144 PolarHBondContact O-N 3.09Å; N142-N144 VanDerWaalsContact O-N 3.08Å; N142-N145 PolarHBondContact O-N 3.39Å; N142-N145 VanDerWaalsContact O-N 3.09Å; N142-S149 PolarHBondContact ND2-OG 3.46Å
143	N	44	Very low	47.8	Very low	123 Å²	123	111.9 Å²	111.9	66%	0.658	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-5.7	-177.9	-89.8	13	0	0	0	115	L139	L139-N143 PolarHBondContact O-N 3.4Å; L139-N143 PolarHBondContact O-OD1 3.5Å
144	N	39.9	Very low	46.2	Very low	138 Å²	138	117.1 Å²	117.1	74%	0.738	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-3.9	172.7	-73.3	5.3	0	0	0	113.4	N142	N142-N144 PolarHBondContact O-N 3.09Å; N142-N144 VanDerWaalsContact O-N 3.08Å
145	N	34	Very low	44.6	Very low	130 Å²	130	115.1 Å²	115.1	70%	0.695	55%	0.554	S	S	*	*	S	Bend	trans	-121.6	122.5	176.3	-70.6	-26.2	0	0	0	110.1	N142	N142-N145 PolarHBondContact O-N 3.39Å; N142-N145 VanDerWaalsContact O-N 3.09Å
146	N	33	Very low	43	Very low	153 Å²	153	117.9 Å²	117.9	82%	0.818	56%	0.56	S	S	*	*			trans	-66.4	150.2	-170.1	-77.1	-29.8	0	0	0	114.9	L148	N146-L148 PolarHBondContact O-N 3.32Å
147	E	32.9	Very low	41.5	Very low	194 Å²	194	121.1 Å²	121.1	91%	0.907	57%	0.57	S	S	*	*	S	Bend	trans	63.1	-30.2	160.9	-60.5	-127.7	110.7	0	0	121.5	S149	E147-S149 PolarHBondContact O-N 2.91Å
148	L	34	Very low	39.9	Very low	107 Å²	107	119.9 Å²	119.9	56%	0.56	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-79.3	-21.4	-169.5	-137.5	74.2	0	0	0	115.8	N146 R150	N146-L148 PolarHBondContact O-N 3.32Å; L148-R150 PolarHBondContact O-N 2.96Å
149	S	36.3	Very low	38.4	Very low	37 Å²	37	117.4 Å²	117.4	26%	0.259	57%	0.566	S	S	.	*	G	3₁₀ helix	trans	-80.5	1.4	-161.6	-166.4	0	0	0	0	117.1	N142 E147	N142-S149 PolarHBondContact ND2-OG 3.46Å; E147-S149 PolarHBondContact O-N 2.91Å
150	R	37.4	Very low	37.5	Very low	235 Å²	235	117.7 Å²	117.7	89%	0.887	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-77.1	-27.4	-179.3	-104.2	-179.4	175.6	168.4	-0.7	114.1	L148	L148-R150 PolarHBondContact O-N 2.96Å
151	R	38.3	Very low	36.5	Very low	197 Å²	197	120.7 Å²	120.7	74%	0.743	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-37.3	-175.1	-71.4	177.9	173	147.3	-0.5	113.3	S153 F154	R151-S153 VanDerWaalsContact C-N 3.34Å; R151-S153 PolarHBondContact O-N 2.86Å; R151-F154 PolarHBondContact O-N 3.25Å
152	D	34.3	Very low	35.4	Very low	81 Å²	81	125 Å²	125	43%	0.433	59%	0.592	S	S	.	*	H	α-helix	trans	-74.2	-21.2	-174.4	-63.1	-25.3	0	0	0	114.8	F154 M155 Y156 Q189	D152-F154 PolarHBondContact O-N 3.23Å; D152-M155 PolarHBondContact O-N 3.27Å; D152-Y156 PolarHBondContact O-N 3.19Å; D152-Q189 PolarHBondContact OD1-NE2 3.2Å
153	S	35.1	Very low	34.6	Very low	51 Å²	51	132.3 Å²	132.3	36%	0.357	61%	0.614	S	S	.	*	H	α-helix	trans	-63.1	-27.4	175	-168.1	0	0	0	0	112.5	R151 R157	R151-S153 VanDerWaalsContact C-N 3.34Å; R151-S153 PolarHBondContact O-N 2.86Å; S153-R157 WeakPolarHBondContact O-CG 3.42Å; S153-R157 PolarHBondContact O-N 3.11Å
154	F	35.7	Very low	33.8	Very low	121 Å²	121	128.9 Å²	128.9	53%	0.531	61%	0.608	S	S	.	*	H	α-helix	trans	-75	-49.9	178.7	-166.6	-100	0	0	0	111.6	R151 D152 Y156 R157 F158 G645	R151-F154 PolarHBondContact O-N 3.25Å; D152-F154 PolarHBondContact O-N 3.23Å; F154-Y156 VanDerWaalsContact C-N 3.3Å; F154-Y156 PolarHBondContact O-N 3.03Å; F154-R157 PolarHBondContact O-N 3.35Å; F154-F158 HydrophobicContact CD1-CD2 4.26Å; F154-F158 HydrophobicContact CD1-CE2 4.36Å; F154-F158 AromaticContact CE1-CD2 3.96Å; F154-F158 HydrophobicContact CE1-CD2 3.96Å; F154-F158 AromaticContact CE1-CE2 3.63Å; F154-F158 HydrophobicContact CE1-CE2 3.63Å; F154-F158 HydrophobicContact CZ-CD2 4.38Å; F154-F158 AromaticContact CZ-CE2 3.73Å; F154-F158 HydrophobicContact CZ-CE2 3.73Å; F154-F158 PolarHBondContact O-N 3.34Å; F154-G645 WeakPolarHBondContact CZ-O 3.33Å
155	M	34.7	Very low	33.2	Very low	80 Å²	80	129 Å²	129	39%	0.394	61%	0.613	S	S	.	*	H	α-helix	trans	-60.4	-36.3	177.7	-78	-71.9	-111.6	0	0	112.7	D152 F158	D152-M155 PolarHBondContact O-N 3.27Å; M155-F158 PolarHBondContact O-N 3.35Å
156	Y	30.6	Very low	33	Very low	134 Å²	134	131.2 Å²	131.2	53%	0.525	61%	0.613	S	S	.	*	H	α-helix	trans	-75.8	-21.5	179.3	-152.1	-101.8	0	0	0	114.2	D152 F154 S159	D152-Y156 PolarHBondContact O-N 3.19Å; F154-Y156 VanDerWaalsContact C-N 3.3Å; F154-Y156 PolarHBondContact O-N 3.03Å; Y156-S159 PolarHBondContact O-OG 2.89Å; Y156-S159 VanDerWaalsContact O-OG 3.13Å
157	R	34.1	Very low	32.9	Very low	136 Å²	136	131.7 Å²	131.7	51%	0.513	62%	0.616	S	S	.	*	H	α-helix	trans	-73.9	-35.7	170.9	-75	179.4	-176.3	-162.6	-1.3	111.8	S153 F154 S159 T160	S153-R157 WeakPolarHBondContact O-CG 3.42Å; S153-R157 PolarHBondContact O-N 3.11Å; F154-R157 PolarHBondContact O-N 3.35Å; R157-S159 VanDerWaalsContact C-N 3.28Å; R157-S159 PolarHBondContact O-N 3.01Å; R157-T160 PolarHBondContact O-N 2.69Å; R157-T160 PolarHBondContact O-OG1 2.84Å; R157-T160 VanDerWaalsContact O-OG1 3.09Å
158	F	35.4	Very low	32.5	Very low	93 Å²	93	129 Å²	129	41%	0.408	61%	0.608	S	S	.	*	H	α-helix	trans	-63.8	-28.5	-179.8	-103.2	-79.7	0	0	0	114.5	F154 M155 M646	F154-F158 HydrophobicContact CD1-CD2 4.26Å; F154-F158 HydrophobicContact CD1-CE2 4.36Å; F154-F158 AromaticContact CE1-CD2 3.96Å; F154-F158 HydrophobicContact CE1-CD2 3.96Å; F154-F158 AromaticContact CE1-CE2 3.63Å; F154-F158 HydrophobicContact CE1-CE2 3.63Å; F154-F158 HydrophobicContact CZ-CD2 4.38Å; F154-F158 AromaticContact CZ-CE2 3.73Å; F154-F158 HydrophobicContact CZ-CE2 3.73Å; F154-F158 PolarHBondContact O-N 3.34Å; M155-F158 PolarHBondContact O-N 3.35Å; F158-M646 HydrophobicContact CD1-CG 4.4Å; F158-M646 HydrophobicContact CE1-CG 3.34Å; F158-M646 HydrophobicContact CE1-SD 3.89Å; F158-M646 HydrophobicContact CZ-CG 3.44Å; F158-M646 VanDerWaalsContact CZ-CG 3.44Å
159	S	30.4	Very low	32.2	Very low	67 Å²	67	131.4 Å²	131.4	47%	0.469	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79	-16.8	180	65.9	0	0	0	0	114.5	Y156 R157	Y156-S159 PolarHBondContact O-OG 2.89Å; Y156-S159 VanDerWaalsContact O-OG 3.13Å; R157-S159 VanDerWaalsContact C-N 3.28Å; R157-S159 PolarHBondContact O-N 3.01Å
160	T	33.6	Very low	31.8	Very low	82 Å²	82	137.1 Å²	137.1	50%	0.503	65%	0.649	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102	-23.1	-172.6	45.2	0	0	0	0	113.8	R157	R157-T160 PolarHBondContact O-N 2.69Å; R157-T160 PolarHBondContact O-OG1 2.84Å; R157-T160 VanDerWaalsContact O-OG1 3.09Å
161	Q	33.6	Very low	31.4	Very low	176 Å²	176	137 Å²	137	82%	0.822	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-6.8	-173.3	-151.5	156.4	-9	0	0	114.7
162	R	31.7	Very low	30.7	Very low	215 Å²	215	137.1 Å²	137.1	81%	0.811	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-0.1	174.2	-109.7	-174.4	-164.9	163.6	7.1	115.2	G164	R162-G164 VanDerWaalsContact C-N 3.28Å; R162-G164 PolarHBondContact O-N 3.45Å
163	R	27.8	Very low	30.4	Very low	229 Å²	229	140.9 Å²	140.9	86%	0.864	68%	0.675	S	S	*	*			trans	-82.9	69	-179.7	-79.1	-174.9	169.6	175.7	-3.4	112.4
164	G	27.8	Very low	29.9	Very low	51 Å²	51	145 Å²	145	53%	0.526	69%	0.693	S	S	.	*	S	Bend	trans	-116	117.5	164	0	0	0	0	0	110.4	R162	R162-G164 VanDerWaalsContact C-N 3.28Å; R162-G164 PolarHBondContact O-N 3.45Å
165	T	27.1	Very low	29.5	Very low	139 Å²	139	144 Å²	144	85%	0.853	70%	0.697	S	S	*	*	S	Bend	trans	47.6	67.1	162.9	60.6	0	0	0	0	117.9
166	Y	29.6	Very low	29	Very low	178 Å²	178	146 Å²	146	70%	0.698	71%	0.709	S	S	*	*			trans	-131	136.7	140.2	-85.4	-85.3	0	0	0	107.9	N586	Y166-N586 PolarHBondContact OH-ND2 2.93Å
167	N	30.3	Very low	28.9	Very low	163 Å²	163	145.4 Å²	145.4	87%	0.872	71%	0.707	S	S	*	*			trans	-65.7	144.1	178.6	-75.2	-20.1	0	0	0	109.6
168	N	24.6	Very low	28.6	Very low	138 Å²	138	142.9 Å²	142.9	74%	0.738	70%	0.704	S	S	*	*	S	Bend	trans	-67.4	168.6	161.3	-62.3	-36.9	0	0	0	109
169	D	27.8	Very low	28.2	Very low	156 Å²	156	145.8 Å²	145.8	83%	0.834	72%	0.718	S	S	*	*	S	Bend	trans	87	41.5	170.9	-41.5	-22.7	0	0	0	116.1
170	D	28.3	Very low	28.3	Very low	158 Å²	158	143.9 Å²	143.9	85%	0.845	71%	0.705	S	S	*	*			trans	-152.9	3.1	161.1	-103.8	-28.3	0	0	0	116.1	F172	D170-F172 PolarHBondContact O-N 3.29Å
171	Y	28.3	Very low	28.2	Very low	231 Å²	231	146 Å²	146	91%	0.906	71%	0.707	S	S	*	*			trans	-100.8	56.2	177.3	-97.9	-83.3	0	0	0	112.6
172	F	24.9	Very low	28	Very low	201 Å²	201	143 Å²	143	88%	0.882	70%	0.696	S	S	*	*			trans	-143.7	73.4	169.8	-102.1	-82.6	0	0	0	110	D170	D170-F172 PolarHBondContact O-N 3.29Å
173	I	27.4	Very low	28	Very low	159 Å²	159	136 Å²	136	82%	0.815	67%	0.674	S	S	*	*	S	Bend	trans	-162.3	119.2	152.4	-91.5	135.7	0	0	0	107.7
174	D	24	Very low	28.2	Very low	139 Å²	139	126.1 Å²	126.1	74%	0.743	64%	0.638	S	S	*	*			trans	38.5	85.6	153.1	-55.7	-27.5	0	0	0	121.1
175	T	27	Very low	28.3	Very low	99 Å²	99	128 Å²	128	61%	0.607	64%	0.635	S	S	*	*			trans	-134.6	103.8	130.9	59.8	0	0	0	0	111.1	Y177	T175-Y177 PolarHBondContact O-N 3.48Å
176	N	25.3	Very low	28.5	Very low	123 Å²	123	128.2 Å²	128.2	66%	0.658	62%	0.622	S	S	*	*			trans	-66.7	80.3	166.2	-84	-41.2	0	0	0	110.2	Y422	N176-Y422 HydrophobicContact CB-CD1 3.95Å; N176-Y422 HydrophobicContact CB-CE1 3.87Å; N176-Y422 WeakPolarHBondContact O-CE1 3.33Å
177	Y	28.3	Very low	28.6	Very low	120 Å²	120	122 Å²	122	47%	0.471	60%	0.604	S	S	.	*			trans	-83.3	113.5	166.8	-95.4	-84.4	0	0	0	109.6	T175 H179	T175-Y177 PolarHBondContact O-N 3.48Å; Y177-H179 PolarHBondContact O-N 3.44Å
178	D	26.9	Very low	28.6	Very low	84 Å²	84	121 Å²	121	45%	0.449	59%	0.594	S	S	.	*			trans	-43.6	125.1	177.7	-85.5	-31.4	0	0	0	112.4	S180 R417	D178-S180 PolarHBondContact O-N 2.96Å; D178-R417 VanDerWaalsContact CG-NH2 3.27Å; D178-R417 IonicContact OD2-CZ 2.92Å; D178-R417 VanDerWaalsContact OD2-CZ 3.23Å; D178-R417 IonicContact OD2-NE 2.69Å; D178-R417 PolarHBondContact OD2-NE 2.85Å; D178-R417 IonicContact OD2-NH2 3.19Å; D178-R417 PolarHBondContact OD2-NH2 3Å
179	H	27.2	Very low	29	Very low	153 Å²	153	118.5 Å²	118.5	71%	0.708	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	61.3	174.1	-101.9	-101.5	0	0	0	112.7	Y177 D183	Y177-H179 PolarHBondContact O-N 3.44Å; H179-D183 WeakPolarHBondContact CB-OD2 3.29Å; H179-D183 IonicContact CE1-OD1 2.67Å; H179-D183 IonicContact CE1-OD2 3.12Å; H179-D183 IonicContact CG-OD2 3.02Å; H179-D183 IonicContact ND1-OD1 2.89Å; H179-D183 PolarHBondContact ND1-OD1 2.95Å; H179-D183 IonicContact ND1-OD2 2.69Å; H179-D183 PolarHBondContact ND1-OD2 2.88Å
180	S	33.7	Very low	29	Very low	28 Å²	28	119.3 Å²	119.3	20%	0.196	57%	0.574	C	S	.	*	T	Hydrogen-bonded Turn	trans	-124.8	-20.5	178.8	83.9	0	0	0	0	115.5	D178 Q184 R417	D178-S180 PolarHBondContact O-N 2.96Å; S180-Q184 WeakPolarHBondContact O-CB 3.5Å; S180-Q184 PolarHBondContact O-NE2 2.89Å; S180-R417 PolarHBondContact OG-NH1 2.92Å
181	F	30.1	Very low	29	Very low	125 Å²	125	117.9 Å²	117.9	55%	0.548	57%	0.566	S	S	.	*	S	Bend	trans	-100.6	-48.3	-179.9	-166.9	-105.6	0	0	0	113	Q184 L185 L402	F181-Q184 WeakPolarHBondContact O-CB 3.22Å; F181-Q184 PolarHBondContact O-N 2.73Å; F181-Q184 VanDerWaalsContact O-N 3.12Å; F181-L185 HydrophobicContact CD1-CD1 4.48Å; F181-L185 HydrophobicContact CE1-CD1 4.17Å; F181-L185 PolarHBondContact O-N 2.9Å; F181-L402 HydrophobicContact CD2-CD1 3.99Å; F181-L402 HydrophobicContact CE2-CD1 3.88Å
182	I	30.2	Very low	29	Very low	115 Å²	115	113.1 Å²	113.1	59%	0.59	56%	0.556	S	S	*	*	H	α-helix	trans	-71	-34.9	174.1	-68.8	-175.5	0	0	0	110.9	Q184 L185 Y186	I182-Q184 PolarHBondContact O-N 3.06Å; I182-L185 CarbonylContact O-C 3.53Å; I182-L185 PolarHBondContact O-N 3.41Å; I182-Y186 HydrophobicContact CG2-CD2 3.76Å; I182-Y186 HydrophobicContact CG2-CE2 4.11Å; I182-Y186 WeakPolarHBondContact O-CB 3.48Å; I182-Y186 PolarHBondContact O-N 3.3Å
183	D	31.1	Very low	29.1	Very low	66 Å²	66	109.2 Å²	109.2	35%	0.353	55%	0.545	S	S	.	.	H	α-helix	trans	-67.9	-17.5	169.1	-81.2	10	0	0	0	113.2	H179 S187	H179-D183 WeakPolarHBondContact CB-OD2 3.29Å; H179-D183 IonicContact CE1-OD1 2.67Å; H179-D183 IonicContact CE1-OD2 3.12Å; H179-D183 IonicContact CG-OD2 3.02Å; H179-D183 IonicContact ND1-OD1 2.89Å; H179-D183 PolarHBondContact ND1-OD1 2.95Å; H179-D183 IonicContact ND1-OD2 2.69Å; H179-D183 PolarHBondContact ND1-OD2 2.88Å; D183-S187 WeakPolarHBondContact O-CA 3.44Å; D183-S187 WeakPolarHBondContact O-CB 3.44Å; D183-S187 PolarHBondContact O-N 3.45Å; D183-S187 PolarHBondContact O-OG 2.92Å
184	Q	32.5	Very low	29	Very low	22 Å²	22	111 Å²	111	10%	0.103	54%	0.542	C	S	.	.	H	α-helix	trans	-76.3	-40.5	169.2	-104.6	155.9	68.1	0	0	111.8	S180 F181 I182 Y186 S187 Q188 L402 K403	S180-Q184 WeakPolarHBondContact O-CB 3.5Å; S180-Q184 PolarHBondContact O-NE2 2.89Å; F181-Q184 WeakPolarHBondContact O-CB 3.22Å; F181-Q184 PolarHBondContact O-N 2.73Å; F181-Q184 VanDerWaalsContact O-N 3.12Å; I182-Q184 PolarHBondContact O-N 3.06Å; Q184-Y186 VanDerWaalsContact C-N 3.32Å; Q184-S187 PolarHBondContact O-N 2.91Å; Q184-Q188 PolarHBondContact O-N 3.46Å; Q184-L402 PolarHBondContact NE2-O 3.44Å; Q184-K403 VanDerWaalsContact NE2-CA 3.26Å
185	L	29.4	Very low	29.2	Very low	90 Å²	90	111.4 Å²	111.4	47%	0.471	55%	0.545	S	S	.	.	H	α-helix	trans	-69.7	-28.1	172.8	-75.8	157.1	0	0	0	112.7	F181 I182	F181-L185 HydrophobicContact CD1-CD1 4.48Å; F181-L185 HydrophobicContact CE1-CD1 4.17Å; F181-L185 PolarHBondContact O-N 2.9Å; I182-L185 CarbonylContact O-C 3.53Å; I182-L185 PolarHBondContact O-N 3.41Å
186	Y	31.1	Very low	29	Very low	145 Å²	145	112.5 Å²	112.5	57%	0.569	56%	0.555	S	S	*	*	H	α-helix	trans	-92.2	-11.3	173.6	-86.8	-84.5	0	0	0	114.9	I182 Q184	I182-Y186 HydrophobicContact CG2-CD2 3.76Å; I182-Y186 HydrophobicContact CG2-CE2 4.11Å; I182-Y186 WeakPolarHBondContact O-CB 3.48Å; I182-Y186 PolarHBondContact O-N 3.3Å; Q184-Y186 VanDerWaalsContact C-N 3.32Å
187	S	31.4	Very low	29.2	Very low	47 Å²	47	113.1 Å²	113.1	33%	0.329	56%	0.557	S	S	.	*	H	α-helix	trans	-98.7	-21.8	172.2	59.8	0	0	0	0	114.1	D183 Q184 Q189 K190	D183-S187 WeakPolarHBondContact O-CA 3.44Å; D183-S187 WeakPolarHBondContact O-CB 3.44Å; D183-S187 PolarHBondContact O-N 3.45Å; D183-S187 PolarHBondContact O-OG 2.92Å; Q184-S187 PolarHBondContact O-N 2.91Å; S187-Q189 PolarHBondContact O-N 2.8Å; S187-K190 PolarHBondContact O-N 3.04Å
188	Q	31.5	Very low	29.1	Very low	143 Å²	143	112.4 Å²	112.4	67%	0.668	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-20.1	167.8	-81.3	-167.1	-43.5	0	0	113.4	Q184 K190	Q184-Q188 PolarHBondContact O-N 3.46Å; Q188-K190 VanDerWaalsContact C-N 3.33Å
189	Q	31.8	Very low	29.1	Very low	85 Å²	85	117.5 Å²	117.5	40%	0.397	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.1	8.8	167.2	-67.8	-160.6	-87.8	0	0	113.7	D152 S187	D152-Q189 PolarHBondContact OD1-NE2 3.2Å; S187-Q189 PolarHBondContact O-N 2.8Å
190	K	29.5	Very low	29.3	Very low	172 Å²	172	117.4 Å²	117.4	75%	0.748	59%	0.588	S	S	*	*	S	Bend	trans	-128.8	21.8	-172.3	-142.8	-179.6	-176	-175.2	0	114.3	S187 Q188	S187-K190 PolarHBondContact O-N 3.04Å; Q188-K190 VanDerWaalsContact C-N 3.33Å
191	L	28	Very low	28.9	Very low	128 Å²	128	122.7 Å²	122.7	67%	0.67	61%	0.614	S	S	*	*	S	Bend	trans	-123.1	-7.7	179.9	-98.7	157.6	0	0	0	115.2	N193	L191-N193 PolarHBondContact O-N 2.84Å
192	D	27	Very low	28.9	Very low	132 Å²	132	124 Å²	124	71%	0.706	63%	0.627	S	S	*	*	S	Bend	trans	-83	20.4	176.6	-69.1	-8.3	0	0	0	113.7
193	N	27.8	Very low	28.8	Very low	119 Å²	119	125.3 Å²	125.3	64%	0.636	64%	0.635	S	S	*	*			trans	-147	53.6	-179.7	-111.5	-21.5	0	0	0	112.5	L191	L191-N193 PolarHBondContact O-N 2.84Å
194	Y	26	Very low	28.9	Very low	195 Å²	195	129.8 Å²	129.8	77%	0.765	66%	0.659	S	S	*	*			trans	-127.5	102.3	156.5	-91.6	-82.9	0	0	0	109.2	C196	Y194-C196 VanDerWaalsContact C-N 3.33Å; Y194-C196 PolarHBondContact O-N 2.9Å
195	N	26.9	Very low	28.8	Very low	149 Å²	149	135.6 Å²	135.6	80%	0.797	69%	0.691	S	S	*	*			trans	-66.7	91.7	169.2	-86.8	-17.5	0	0	0	109.6	I197	N195-I197 PolarHBondContact O-N 2.83Å
196	C	24.3	Very low	28.8	Very low	121 Å²	121	138 Å²	138	82%	0.818	70%	0.704	S	S	*	*			trans	-78.8	69.9	168.1	-71.2	0	0	0	0	110.5	Y194	Y194-C196 VanDerWaalsContact C-N 3.33Å; Y194-C196 PolarHBondContact O-N 2.9Å
197	I	28	Very low	28.9	Very low	137 Å²	137	137.2 Å²	137.2	70%	0.703	71%	0.71	S	S	*	*			trans	-104.2	116.6	167	-59.3	177.6	0	0	0	107.6	N195	N195-I197 PolarHBondContact O-N 2.83Å
198	P	27.3	Very low	28.9	Very low	104 Å²	104	141.1 Å²	141.1	68%	0.675	73%	0.727	S	S	*	*			trans	-74.5	131.7	175.1	30.9	-31.5	0	0	0	109.6	I200	P198-I200 PolarHBondContact O-N 2.86Å
199	K	27.4	Very low	28.9	Very low	192 Å²	192	140.2 Å²	140.2	84%	0.835	73%	0.726	S	S	*	*			trans	-70.9	124.6	163.8	-70.8	-176.1	174.8	-173.8	0	108.1
200	I	29.3	Very low	28.9	Very low	151 Å²	151	142 Å²	142	77%	0.774	74%	0.739	S	S	*	*			trans	-93.8	113.8	157.7	-68.2	174.8	0	0	0	104.9	P198	P198-I200 PolarHBondContact O-N 2.86Å
201	D	27.2	Very low	29.2	Very low	138 Å²	138	141.3 Å²	141.3	74%	0.738	74%	0.738	S	S	*	*			trans	-70	133.9	163.1	-64.7	-42.5	0	0	0	107.8
202	N	30.2	Very low	29.4	Very low	153 Å²	153	140.7 Å²	140.7	82%	0.818	74%	0.735	S	S	*	*			trans	-144	123.4	143.9	-102.4	-15.1	0	0	0	107.2
203	N	28.1	Very low	29.6	Very low	143 Å²	143	140.1 Å²	140.1	77%	0.765	73%	0.732	S	S	*	*			trans	-55.3	141.5	153.5	-65.6	-43.1	0	0	0	107.4
204	D	32.7	Very low	30	Very low	160 Å²	160	141.6 Å²	141.6	86%	0.856	74%	0.735	S	S	*	*				-162.8	135.9	101.7	-89.2	-26.3	0	0	0	110.6
205	N	29.7	Very low	30.3	Very low	144 Å²	144	138.7 Å²	138.7	77%	0.77	73%	0.732	S	S	*	*			trans	-85.1	155.1	171	-85.9	-42	0	0	0	109.8
206	N	30	Very low	30.5	Very low	139 Å²	139	137 Å²	137	74%	0.743	72%	0.722	S	S	*	*			trans	88.2	135.1	154.6	-58	-27.6	0	0	0	119.5
207	N	31.8	Very low	30.9	Very low	129 Å²	129	137.5 Å²	137.5	69%	0.69	72%	0.717	S	S	*	*			trans	87.8	98	148.5	-59.8	-17.1	0	0	0	119.3
208	N	32	Very low	31.1	Very low	129 Å²	129	137.1 Å²	137.1	69%	0.69	71%	0.712	S	S	*	*				74	119.2	118.1	-58	-8.9	0	0	0	119.7
209	N	31	Very low	31.2	Very low	124 Å²	124	140.9 Å²	140.9	66%	0.663	71%	0.713	S	S	*	*				79.6	113.7	127.4	-72.6	45.9	0	0	0	120.3
210	D	32.7	Very low	31.3	Very low	124 Å²	124	140.3 Å²	140.3	66%	0.663	71%	0.711	S	S	*	*				85.9	128.6	124.2	-54.9	-20.7	0	0	0	121.2
211	H	35.6	Very low	31.4	Very low	156 Å²	156	138.6 Å²	138.6	72%	0.722	71%	0.712	S	S	*	*			trans	79.5	106.9	144.8	-74.9	-50.5	0	0	0	122.4
212	D	32.7	Very low	31.5	Very low	115 Å²	115	137.5 Å²	137.5	62%	0.615	72%	0.715	S	S	*	*				79.1	111.1	113	-70.8	24.9	0	0	0	122.8
213	N	30.7	Very low	31.3	Very low	121 Å²	121	141.5 Å²	141.5	65%	0.647	72%	0.72	S	S	*	*				88.9	142.4	118.4	-72	-33.6	0	0	0	122.8
214	H	35.2	Very low	31.4	Very low	150 Å²	150	143.4 Å²	143.4	69%	0.694	72%	0.724	S	S	*	*			trans	81.3	112	149.6	-73.4	-34	0	0	0	118.8
215	I	32.4	Very low	31.1	Very low	134 Å²	134	145.2 Å²	145.2	69%	0.687	72%	0.724	S	S	*	*				83.2	131.7	85.2	-82.7	-170.5	0	0	0	110.1
216	N	32.2	Very low	31.1	Very low	113 Å²	113	143.6 Å²	143.6	60%	0.604	72%	0.719	S	S	*	*			cis	-161.3	166.2	12.7	-119	18.7	0	0	0	111.5
217	D	31.9	Very low	31.1	Very low	132 Å²	132	143.2 Å²	143.2	71%	0.706	72%	0.718	S	S	*	*			trans	55.8	147.2	140.6	-62.4	-28.6	0	0	0	122
218	E	32.7	Very low	31	Very low	129 Å²	129	144.7 Å²	144.7	60%	0.603	72%	0.724	S	S	*	*			cis	-160.5	155.8	9.2	-129.5	-165.4	154.8	0	0	112.9
219	R	29.8	Very low	30.7	Very low	182 Å²	182	145.8 Å²	145.8	69%	0.687	73%	0.73	S	S	*	*			trans	76.6	103.1	147.7	-69	174.6	-172.4	175.3	20.7	124.7
220	K	29.8	Very low	30.6	Very low	181 Å²	181	148 Å²	148	79%	0.787	74%	0.737	S	S	*	*				101.3	132.3	109.8	-79	-179.5	177.7	-177.8	0	123.2
221	S	31.5	Very low	30.5	Very low	115 Å²	115	150.6 Å²	150.6	80%	0.804	75%	0.745	S	S	*	*			trans	78.9	97.8	164.2	71.3	0	0	0	0	116.5
222	S	28	Very low	30.1	Very low	114 Å²	114	149.4 Å²	149.4	80%	0.797	74%	0.743	S	S	*	*			cis	111.2	82.7	40.9	-77.8	0	0	0	0	111.2
223	Y	26.6	Very low	30.1	Very low	238 Å²	238	150.8 Å²	150.8	93%	0.933	76%	0.755	S	S	*	*			trans	-114	126.5	151.9	-88.8	-90.1	0	0	0	107.6
224	H	30.4	Very low	30	Very low	183 Å²	183	151.3 Å²	151.3	85%	0.847	76%	0.758	S	S	*	*			trans	-80	124.4	-179	-103.8	-74.3	0	0	0	111.7
225	K	26	Very low	29.9	Very low	197 Å²	197	151.1 Å²	151.1	86%	0.857	76%	0.762	S	S	*	*			trans	-132.7	133.7	156.7	-159.7	178.2	-174.2	-176.3	0	106
226	V	30.6	Very low	29.9	Very low	110 Å²	110	150 Å²	150	67%	0.667	76%	0.762	S	S	*	*			trans	-130.8	107.4	-179	179.8	0	0	0	0	107.2
227	D	28.8	Very low	29.8	Very low	132 Å²	132	150.2 Å²	150.2	71%	0.706	77%	0.767	S	S	*	*				24.2	157.9	120.4	-44.4	-29.5	0	0	0	118.7
228	L	31	Very low	29.7	Very low	159 Å²	159	149.1 Å²	149.1	83%	0.832	77%	0.766	S	S	*	*			cis	-155.2	163.6	24.9	-139.6	134.5	0	0	0	110.5
229	N	25.1	Very low	29.6	Very low	152 Å²	152	148.4 Å²	148.4	81%	0.813	77%	0.77	S	S	*	*			trans	-83.9	173	174.4	-86.3	-27	0	0	0	113.2
230	E	28.7	Very low	29.7	Very low	172 Å²	172	145.5 Å²	145.5	80%	0.804	77%	0.773	S	S	*	*			trans	104.9	160.7	140	-149.9	161.8	-120.9	0	0	119.5
231	Q	31.6	Very low	29.7	Very low	177 Å²	177	142.9 Å²	142.9	83%	0.827	77%	0.767	S	S	*	*			trans	80.8	91	-172.7	-53.6	-168.8	0.8	0	0	114.8
232	I	26.4	Very low	29.8	Very low	132 Å²	132	143.1 Å²	143.1	68%	0.677	76%	0.759	S	S	*	*				66.8	109.2	71.9	-58.4	163.9	0	0	0	112.5
233	T	32.8	Very low	30	Very low	143 Å²	143	143.1 Å²	143.1	88%	0.877	75%	0.751	S	S	*	*				-163.9	143.3	129.4	10.2	0	0	0	0	111.5
234	N	28.3	Very low	30.3	Very low	133 Å²	133	137.3 Å²	137.3	71%	0.711	74%	0.736	S	S	*	*			trans	-84.2	-176.6	-165.9	-61.2	-40.3	0	0	0	114.1
235	N	32.7	Very low	30.5	Very low	145 Å²	145	134.1 Å²	134.1	78%	0.775	73%	0.725	S	S	*	*			trans	90.9	132.8	162.2	-49.4	-25.2	0	0	0	113.9
236	T	32.6	Very low	30.8	Very low	112 Å²	112	130 Å²	130	69%	0.687	71%	0.712	S	S	*	*			cis	-161.9	144.7	8.7	-4.2	0	0	0	0	110.2
237	T	29.9	Very low	30.8	Very low	116 Å²	116	130.3 Å²	130.3	71%	0.712	71%	0.71	S	S	*	*			trans	36.6	141.2	138.2	57.4	0	0	0	0	120.6
238	T	31.2	Very low	31.1	Very low	110 Å²	110	130 Å²	130	68%	0.675	71%	0.709	S	S	*	*			cis	-169.4	130.2	25.9	-1.4	0	0	0	0	111.9
239	T	29.6	Very low	31.1	Very low	113 Å²	113	128.8 Å²	128.8	69%	0.693	70%	0.703	S	S	*	*			trans	54.9	148.9	132.3	58.7	0	0	0	0	124.9
240	T	32	Very low	31.4	Very low	122 Å²	122	125.7 Å²	125.7	75%	0.748	70%	0.698	S	S	*	*			trans	77.9	138.5	150.4	59.2	0	0	0	0	119.6
241	N	30.7	Very low	31.4	Very low	126 Å²	126	126.1 Å²	126.1	67%	0.674	70%	0.7	S	S	*	*			cis	-169.2	157.5	-27.9	-128.5	5.4	0	0	0	108.2
242	N	33	Very low	31.3	Very low	119 Å²	119	122.1 Å²	122.1	64%	0.636	69%	0.692	S	S	*	*			trans	64	148.9	149.4	-64.8	-1.8	0	0	0	118.3
243	N	32.8	Very low	31.5	Very low	115 Å²	115	123.2 Å²	123.2	62%	0.615	70%	0.699	S	S	*	*			cis	-163.3	162	-17.2	-115.5	-8.7	0	0	0	110
244	N	33.2	Very low	31.3	Very low	115 Å²	115	120.4 Å²	120.4	62%	0.615	69%	0.69	S	S	*	*			trans	68.3	107.7	140	-67.4	2.8	0	0	0	120.4
245	N	32.6	Very low	31.5	Very low	117 Å²	117	121.3 Å²	121.3	63%	0.626	70%	0.7	S	S	*	*				101.7	117.9	103.7	-74.1	3.7	0	0	0	120.1
246	N	33	Very low	31.2	Very low	110 Å²	110	119.5 Å²	119.5	59%	0.588	69%	0.694	S	S	*	*				98.1	108.8	119.9	-70.7	4.5	0	0	0	119
247	N	31.2	Very low	31.1	Very low	117 Å²	117	122.5 Å²	122.5	63%	0.626	71%	0.705	S	S	*	*				64.3	114.6	113.8	-52.5	-6.8	0	0	0	117.3
248	N	34.1	Very low	31.2	Very low	125 Å²	125	123.8 Å²	123.8	67%	0.668	71%	0.706	S	S	*	*				176.5	140.1	81.1	-96	-45.2	0	0	0	112.2
249	N	31.7	Very low	31.4	Very low	134 Å²	134	124.5 Å²	124.5	72%	0.717	71%	0.712	S	S	*	*			trans	59.7	118.2	134	-52	-11.4	0	0	0	117.9
250	A	30.4	Very low	31.8	Very low	86 Å²	86	128.6 Å²	128.6	71%	0.711	72%	0.723	S	S	*	*				70.3	144.5	74	0	0	0	0	0	111.6
251	E	30.2	Very low	31.7	Very low	181 Å²	181	131.2 Å²	131.2	85%	0.846	72%	0.724	S	S	*	*			cis	-166.7	179.5	18.3	-150.2	162.4	-152.1	0	0	111.9
252	S	30	Very low	31.7	Very low	94 Å²	94	133.2 Å²	133.2	66%	0.657	73%	0.73	S	S	*	*			trans	98.2	129.6	139.2	110.7	0	0	0	0	121.4
253	L	30.1	Very low	31.6	Very low	155 Å²	155	135.2 Å²	135.2	81%	0.812	74%	0.739	S	S	*	*			trans	59	106.4	154.8	-76.6	76.4	0	0	0	118.1
254	A	28.2	Very low	31.5	Very low	84 Å²	84	136.5 Å²	136.5	69%	0.694	75%	0.746	S	S	*	*			cis	76.3	116.8	37.6	0	0	0	0	0	115.8
255	T	31.9	Very low	31.1	Very low	152 Å²	152	138.3 Å²	138.3	93%	0.933	76%	0.755	S	S	*	*			trans	-157.3	139.7	140.2	-0.7	0	0	0	0	109.9
256	T	25.9	Very low	31	Very low	106 Å²	106	140.2 Å²	140.2	65%	0.65	76%	0.76	S	S	*	*			trans	-111.9	149.7	-163.4	-52.6	0	0	0	0	110.7	I258	T256-I258 HydrophobicContact CG2-CD1 4.31Å; T256-I258 HydrophobicContact CG2-CG1 4Å
257	I	32.6	Very low	30.7	Very low	176 Å²	176	141.3 Å²	141.3	90%	0.903	77%	0.766	S	S	*	*			trans	-157.3	143.6	145.9	-94	137.6	0	0	0	108.2
258	I	31.7	Very low	30.9	Very low	143 Å²	143	140.6 Å²	140.6	73%	0.733	77%	0.767	S	S	*	*			trans	-107.6	146.8	-156.9	-68.9	161.6	0	0	0	111.7	T256	T256-I258 HydrophobicContact CG2-CD1 4.31Å; T256-I258 HydrophobicContact CG2-CG1 4Å
259	P	33.6	Very low	30.4	Very low	125 Å²	125	141.4 Å²	141.4	81%	0.812	77%	0.77	S	S	*	*			trans	-99	162.5	177.8	38.5	-34.7	0	0	0	114
260	E	38.9	Very low	30.1	Very low	199 Å²	199	142 Å²	142	93%	0.93	77%	0.773	S	S	*	*			trans	-115.9	146.8	176.8	-166.4	173.9	-156.6	0	0	112.4
261	K	29.8	Very low	30	Very low	177 Å²	177	142.7 Å²	142.7	77%	0.77	77%	0.773	S	S	*	*			trans	-151.2	125.2	-177.4	-154.7	-167.4	-174.5	-174.2	0	105
262	Q	31	Very low	29.8	Very low	168 Å²	168	140.7 Å²	140.7	79%	0.785	77%	0.767	S	S	*	*				165.7	146.3	93.2	-85.8	167.2	-81.6	0	0	108.5
263	L	30.4	Very low	29.7	Very low	160 Å²	160	142.5 Å²	142.5	84%	0.838	77%	0.774	S	S	*	*			trans	-165.3	114.8	144.6	-113.2	141.5	0	0	0	112.1
264	L	30.8	Very low	29.4	Very low	143 Å²	143	143.1 Å²	143.1	75%	0.749	77%	0.773	S	S	*	*			trans	31.9	125.8	151.7	-49.6	176.8	0	0	0	120.8
265	L	26.1	Very low	29.2	Very low	153 Å²	153	146.7 Å²	146.7	80%	0.801	78%	0.78	S	S	*	*				74.6	129.2	66.6	-106.1	158.3	0	0	0	115.6
266	E	28.9	Very low	29	Very low	157 Å²	157	147.5 Å²	147.5	73%	0.734	77%	0.773	S	S	*	*			trans	86.4	105.6	161.7	-56.8	-155.2	143.8	0	0	122.6
267	N	28.2	Very low	29	Very low	133 Å²	133	151.7 Å²	151.7	71%	0.711	79%	0.788	S	S	*	*			trans	74.8	167.1	132.9	-57.1	-34.3	0	0	0	118.2
268	P	33.8	Very low	28.6	Very low	102 Å²	102	152.6 Å²	152.6	66%	0.662	79%	0.786	S	S	*	*				-137.4	-172.7	-93.9	37.5	-15.3	0	0	0	115.2
269	I	24.6	Very low	28.6	Very low	141 Å²	141	155.4 Å²	155.4	72%	0.723	79%	0.788	S	S	*	*			trans	75.8	136.1	158.3	-67.5	163.8	0	0	0	118.4
270	N	25.3	Very low	28.2	Very low	146 Å²	146	156.6 Å²	156.6	78%	0.781	79%	0.787	S	S	*	*			trans	65.1	121.2	165.8	-65.2	-20.2	0	0	0	118.8
271	S	27.7	Very low	27.8	Very low	102 Å²	102	154.9 Å²	154.9	71%	0.713	79%	0.785	S	S	*	*				-173.7	132.2	60.5	38.7	0	0	0	0	114.7
272	I	26	Very low	27.6	Very low	139 Å²	139	153 Å²	153	71%	0.713	79%	0.788	S	S	*	*			trans	37.3	114	133.4	-53.4	163.6	0	0	0	118.5
273	T	28.1	Very low	27.5	Very low	132 Å²	132	150.6 Å²	150.6	81%	0.81	79%	0.787	S	S	*	*				-140.7	124.7	117.2	16.4	0	0	0	0	108.6
274	Q	24.5	Very low	27.4	Very low	168 Å²	168	149.7 Å²	149.7	79%	0.785	79%	0.788	S	S	*	*			trans	-72.7	133.7	172.5	-65.8	154.1	-65.7	0	0	108.2
275	D	24.4	Very low	27.2	Very low	159 Å²	159	150.8 Å²	150.8	85%	0.85	79%	0.794	S	S	*	*			trans	175.3	143.7	138.7	-88.8	-22.1	0	0	0	111.1
276	E	26.8	Very low	27.3	Very low	169 Å²	169	149.2 Å²	149.2	79%	0.79	79%	0.793	S	S	*	*	S	Bend	trans	61.8	66.1	167.7	-58.2	-171.3	156.6	0	0	119
277	M	25.7	Very low	27.2	Very low	193 Å²	193	149.5 Å²	149.5	95%	0.951	80%	0.799	S	S	*	*			trans	-152	90.2	136.2	-119.4	179.9	-58.8	0	0	111.6
278	F	24.8	Very low	27.3	Very low	196 Å²	196	151.1 Å²	151.1	86%	0.86	81%	0.808	S	S	*	*			trans	-78	120.4	165	-122.9	-96.4	0	0	0	108.2
279	Y	30.9	Very low	27	Very low	201 Å²	201	153.8 Å²	153.8	79%	0.788	81%	0.811	S	S	*	*				177.4	116.6	128.5	-98.5	-69.1	0	0	0	110.3
280	L	25.6	Very low	27.2	Very low	150 Å²	150	153.3 Å²	153.3	79%	0.785	81%	0.81	S	S	*	*			trans	45	106.4	152.3	-61.6	165	0	0	0	119
281	D	29.7	Very low	27.5	Very low	164 Å²	164	152.9 Å²	152.9	88%	0.877	81%	0.808	S	S	*	*				-162	139.2	113.4	-103.7	-22.8	0	0	0	111.8
282	T	25.8	Very low	27.5	Very low	137 Å²	137	153.8 Å²	153.8	84%	0.84	81%	0.805	S	S	*	*			trans	-114.1	128.3	175.6	50.6	0	0	0	0	110.7
283	P	29.8	Very low	27.7	Very low	118 Å²	118	156.7 Å²	156.7	77%	0.766	81%	0.808	S	S	*	*			trans	-118.3	130.9	153.3	27.3	-12.7	0	0	0	111.7
284	T	27.5	Very low	27.8	Very low	141 Å²	141	155.5 Å²	155.5	87%	0.865	81%	0.805	S	S	*	*			trans	-70.5	136	173.4	47.8	0	0	0	0	112
285	L	26.5	Very low	28.2	Very low	166 Å²	166	154.6 Å²	154.6	87%	0.869	80%	0.804	S	S	*	*			trans	-116.2	125.4	164.4	-96	159.5	0	0	0	108.9
286	P	29.2	Very low	28.4	Very low	119 Å²	119	157.1 Å²	157.1	77%	0.773	81%	0.808	S	S	*	*			trans	-81.8	135.2	174.9	31.9	-31.6	0	0	0	111
287	N	26	Very low	28.5	Very low	163 Å²	163	158.3 Å²	158.3	87%	0.872	81%	0.81	S	S	*	*			trans	-62.8	139.7	166.1	-72.6	-32.2	0	0	0	110.2
288	N	30.2	Very low	28.8	Very low	167 Å²	167	159 Å²	159	89%	0.893	81%	0.808	S	S	*	*			trans	-145.5	145.9	131.3	-145.6	-3.9	0	0	0	111.6
289	H	28.1	Very low	28.9	Very low	158 Å²	158	156.9 Å²	156.9	73%	0.731	81%	0.805	S	S	*	*			trans	-113.6	163.1	-168.5	-140.9	-86.6	0	0	0	109.9
290	N	28	Very low	28.8	Very low	131 Å²	131	152.4 Å²	152.4	70%	0.701	80%	0.803	S	S	*	*			trans	95.7	152.9	158.5	-51.6	-26.8	0	0	0	120.1
291	N	31.8	Very low	29.1	Very low	138 Å²	138	152.5 Å²	152.5	74%	0.738	80%	0.804	S	S	*	*			trans	91.3	80	162.3	-60.6	-0.3	0	0	0	118.9
292	D	28.9	Very low	29.3	Very low	121 Å²	121	150.2 Å²	150.2	65%	0.647	79%	0.788	S	S	*	*				83.5	129.3	102.4	-79.1	12.2	0	0	0	123.6
293	Y	29.4	Very low	29.7	Very low	200 Å²	200	148.8 Å²	148.8	78%	0.784	78%	0.779	S	S	*	*			trans	36.8	120.9	145.7	-57	-67.6	0	0	0	119.8
294	S	30.5	Very low	30	Very low	107 Å²	107	149.8 Å²	149.8	75%	0.748	78%	0.778	S	S	*	*				169.5	176.3	83.7	52.5	0	0	0	0	114.4
295	I	32.1	Very low	30.6	Very low	148 Å²	148	150.9 Å²	150.9	76%	0.759	77%	0.771	S	S	*	*			trans	78.9	72.1	165.9	-40.6	-173.7	0	0	0	117.4	K297	I295-K297 PolarHBondContact O-N 2.87Å
296	K	28.2	Very low	31	Very low	213 Å²	213	145.7 Å²	145.7	93%	0.926	75%	0.748	S	S	*	*			trans	-60	117.1	138.7	-75.1	175.5	172.4	176.7	0	109.8
297	K	29.8	Very low	31.6	Very low	193 Å²	193	145 Å²	145	84%	0.839	74%	0.738	S	S	*	*			trans	-165.8	82.5	149.1	-136.4	176	-175	178	0	114.8	I295	I295-K297 PolarHBondContact O-N 2.87Å
298	K	32.3	Very low	32.5	Very low	208 Å²	208	145 Å²	145	90%	0.904	73%	0.73	S	S	*	*			trans	171.9	84.3	150.6	-99.6	167.1	-178.1	-178.8	0	109.2
299	L	27.5	Very low	33.2	Very low	152 Å²	152	140 Å²	140	80%	0.796	71%	0.709	S	S	*	*			trans	-138.6	99.4	174.3	-145.6	100.8	0	0	0	109.4
300	S	28.6	Very low	34.4	Very low	106 Å²	106	139.2 Å²	139.2	74%	0.741	70%	0.703	S	S	*	*	S	Bend	trans	-153.5	-2.4	171.4	68.1	0	0	0	0	115.2
301	N	32.1	Very low	36.1	Very low	152 Å²	152	139.5 Å²	139.5	81%	0.813	70%	0.701	S	S	*	*	S	Bend	trans	-127.4	8.4	-175	-79.9	2.9	0	0	0	114.9
302	E	33.7	Very low	37.9	Very low	117 Å²	117	139.3 Å²	139.3	55%	0.547	69%	0.693	S	S	.	*			trans	-102.9	-2.9	-171.6	-68.1	-163.6	126.5	0	0	116	N304 K305	E302-N304 PolarHBondContact O-N 3.46Å; E302-K305 PolarHBondContact O-N 3.04Å
303	T	33.7	Very low	39.6	Very low	107 Å²	107	138 Å²	138	66%	0.656	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-13.7	-174.1	38.9	0	0	0	0	115.6	S306	T303-S306 PolarHBondContact O-OG 3.49Å
304	N	36.4	Very low	41.5	Very low	139 Å²	139	132.3 Å²	132.3	74%	0.743	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	-9.7	174.3	-75.2	-18.2	0	0	0	114.4	E302	E302-N304 PolarHBondContact O-N 3.46Å
305	K	39	Very low	43.6	Very low	164 Å²	164	133.2 Å²	133.2	71%	0.713	66%	0.662	S	S	*	*	H	α-helix	trans	-86.7	-36.4	172.9	-94	-177.7	173.7	179.4	0	112.1	E302 N307 K308 S309	E302-K305 PolarHBondContact O-N 3.04Å; K305-N307 VanDerWaalsContact C-N 3.31Å; K305-N307 PolarHBondContact O-N 3.33Å; K305-K308 PolarHBondContact O-N 2.98Å; K305-S309 PolarHBondContact O-N 3.31Å; K305-S309 PolarHBondContact O-OG 3.14Å
306	S	36.2	Very low	45.6	Very low	56 Å²	56	130.2 Å²	130.2	39%	0.392	65%	0.647	S	S	.	*	H	α-helix	trans	-56.6	-41	-179.6	53.1	0	0	0	0	113.2	T303 S309 F310	T303-S306 PolarHBondContact O-OG 3.49Å; S306-S309 WeakPolarHBondContact CA-OG 3.5Å; S306-S309 PolarHBondContact O-N 3.22Å; S306-S309 PolarHBondContact O-OG 3.28Å; S306-F310 WeakPolarHBondContact O-CB 3.35Å; S306-F310 PolarHBondContact O-N 3.15Å
307	N	40.7	Very low	47.8	Very low	105 Å²	105	124.9 Å²	124.9	56%	0.561	63%	0.626	S	S	*	*	H	α-helix	trans	-70.3	-40.4	-175.2	-65.7	0.9	0	0	0	111.9	K305 F310 E311	K305-N307 VanDerWaalsContact C-N 3.31Å; K305-N307 PolarHBondContact O-N 3.33Å; N307-F310 PolarHBondContact O-N 2.92Å; N307-E311 PolarHBondContact O-N 3.01Å
308	K	45.3	Very low	50	Low	162 Å²	162	122.6 Å²	122.6	70%	0.704	62%	0.615	S	S	*	*	H	α-helix	trans	-67.1	-37.1	174.5	-81.9	-171.1	171.8	-175.3	0	113.1	K305 F310 F312	K305-K308 PolarHBondContact O-N 2.98Å; K308-F310 VanDerWaalsContact C-N 3.28Å; K308-F310 PolarHBondContact O-N 2.9Å; K308-F312 WeakPolarHBondContact O-CB 3.35Å; K308-F312 PolarHBondContact O-N 3.42Å; K308-F312 VanDerWaalsContact O-N 3.1Å
309	S	44.3	Very low	52.1	Low	62 Å²	62	116.7 Å²	116.7	43%	0.434	59%	0.594	S	S	.	*	H	α-helix	trans	-66.5	-30.8	172.2	49.3	0	0	0	0	112.7	K305 S306 N313	K305-S309 PolarHBondContact O-N 3.31Å; K305-S309 PolarHBondContact O-OG 3.14Å; S306-S309 WeakPolarHBondContact CA-OG 3.5Å; S306-S309 PolarHBondContact O-N 3.22Å; S306-S309 PolarHBondContact O-OG 3.28Å; S309-N313 WeakPolarHBondContact O-CB 3.18Å; S309-N313 PolarHBondContact O-N 3.31Å; S309-N313 PolarHBondContact O-ND2 3.37Å
310	F	55.1	Low	54.3	Low	142 Å²	142	114.3 Å²	114.3	62%	0.623	58%	0.581	S	S	*	*	H	α-helix	trans	-74.7	-39.1	178.8	-167.9	-103.4	0	0	0	112.5	S306 N307 K308 N314	S306-F310 WeakPolarHBondContact O-CB 3.35Å; S306-F310 PolarHBondContact O-N 3.15Å; N307-F310 PolarHBondContact O-N 2.92Å; K308-F310 VanDerWaalsContact C-N 3.28Å; K308-F310 PolarHBondContact O-N 2.9Å; F310-N314 WeakPolarHBondContact CD1-ND2 3.33Å; F310-N314 WeakPolarHBondContact CE1-ND2 3.45Å; F310-N314 WeakPolarHBondContact O-CB 3.46Å; F310-N314 PolarHBondContact O-N 3.04Å; F310-N314 VanDerWaalsContact O-N 3.12Å; F310-N314 PolarHBondContact O-ND2 3.23Å
311	E	63.4	Low	56.3	Low	138 Å²	138	115.1 Å²	115.1	65%	0.645	57%	0.572	S	S	*	*	H	α-helix	trans	-63.1	-48.4	170.6	-76.7	-178.2	132	0	0	111.7	N307 N313 N314 E315	N307-E311 PolarHBondContact O-N 3.01Å; E311-N313 VanDerWaalsContact C-N 3.34Å; E311-N313 PolarHBondContact O-N 3.43Å; E311-N314 PolarHBondContact O-N 3.28Å; E311-E315 PolarHBondContact O-N 2.84Å
312	F	69.3	Low	58.1	Low	133 Å²	133	112 Å²	112	58%	0.583	56%	0.555	S	S	*	*	H	α-helix	trans	-59.7	-42.2	179.5	-173.4	-100.3	0	0	0	112.6	K308 E315 L316	K308-F312 WeakPolarHBondContact O-CB 3.35Å; K308-F312 PolarHBondContact O-N 3.42Å; K308-F312 VanDerWaalsContact O-N 3.1Å; F312-E315 PolarHBondContact O-N 3.08Å; F312-L316 HydrophobicContact CE1-CD1 4.48Å; F312-L316 WeakPolarHBondContact O-CB 3.26Å; F312-L316 PolarHBondContact O-N 2.78Å
313	N	64.2	Low	59.5	Low	93 Å²	93	111.2 Å²	111.2	50%	0.497	55%	0.554	S	S	.	*	H	α-helix	trans	-67	-38	177.2	-73.1	-18.2	0	0	0	112.6	S309 E311 L316 E317	S309-N313 WeakPolarHBondContact O-CB 3.18Å; S309-N313 PolarHBondContact O-N 3.31Å; S309-N313 PolarHBondContact O-ND2 3.37Å; E311-N313 VanDerWaalsContact C-N 3.34Å; E311-N313 PolarHBondContact O-N 3.43Å; N313-L316 PolarHBondContact O-N 2.98Å; N313-E317 WeakPolarHBondContact O-CB 3.4Å; N313-E317 PolarHBondContact O-N 3.46Å
314	N	69.1	Low	60.7	Low	81 Å²	81	113.1 Å²	113.1	43%	0.433	55%	0.553	S	S	.	*	H	α-helix	trans	-66.4	-38	175.1	-81.6	-47.9	0	0	0	112.2	F310 E311 K318	F310-N314 WeakPolarHBondContact CD1-ND2 3.33Å; F310-N314 WeakPolarHBondContact CE1-ND2 3.45Å; F310-N314 WeakPolarHBondContact O-CB 3.46Å; F310-N314 PolarHBondContact O-N 3.04Å; F310-N314 VanDerWaalsContact O-N 3.12Å; F310-N314 PolarHBondContact O-ND2 3.23Å; E311-N314 PolarHBondContact O-N 3.28Å; N314-K318 WeakPolarHBondContact O-CB 3.48Å; N314-K318 PolarHBondContact O-N 2.73Å
315	E	75.9	Confident	61.6	Low	126 Å²	126	111.2 Å²	111.2	59%	0.589	54%	0.543	S	S	*	.	H	α-helix	trans	-70.9	-39.8	176.3	-170.5	158.3	-147.2	0	0	111.8	E311 F312 K318 N319	E311-E315 PolarHBondContact O-N 2.84Å; F312-E315 PolarHBondContact O-N 3.08Å; E315-K318 PolarHBondContact O-N 2.93Å; E315-N319 WeakPolarHBondContact O-CB 3.39Å; E315-N319 PolarHBondContact O-N 3.19Å; E315-N319 PolarHBondContact O-ND2 3.13Å
316	L	73.3	Confident	62.3	Low	85 Å²	85	108.1 Å²	108.1	45%	0.445	53%	0.534	S	S	.	.	H	α-helix	trans	-60	-45.8	171.5	-162.1	94.3	0	0	0	111.5	F312 N313 K318 N319 L320	F312-L316 HydrophobicContact CE1-CD1 4.48Å; F312-L316 WeakPolarHBondContact O-CB 3.26Å; F312-L316 PolarHBondContact O-N 2.78Å; N313-L316 PolarHBondContact O-N 2.98Å; L316-K318 VanDerWaalsContact C-N 3.34Å; L316-K318 PolarHBondContact O-N 3.03Å; L316-N319 PolarHBondContact O-N 2.94Å; L316-L320 HydrophobicContact CD2-CD1 4.08Å; L316-L320 HydrophobicContact CG-CD1 4.23Å; L316-L320 WeakPolarHBondContact O-CB 3.34Å; L316-L320 VanDerWaalsContact O-CG 3.3Å; L316-L320 WeakPolarHBondContact O-CG 3.08Å; L316-L320 PolarHBondContact O-N 3.1Å
317	E	74.9	Confident	62.9	Low	102 Å²	102	109.8 Å²	109.8	48%	0.477	54%	0.538	S	S	.	.	H	α-helix	trans	-59.9	-41.7	174.6	-92.6	-148.7	-173.2	0	0	112.7	N313 L320 K321	N313-E317 WeakPolarHBondContact O-CB 3.4Å; N313-E317 PolarHBondContact O-N 3.46Å; E317-L320 PolarHBondContact O-N 2.83Å; E317-K321 WeakPolarHBondContact O-CB 3.23Å; E317-K321 WeakPolarHBondContact O-CG 3.29Å; E317-K321 PolarHBondContact O-N 2.91Å; E317-K321 IonicContact OE2-NZ 2.73Å; E317-K321 PolarHBondContact OE2-NZ 2.82Å
318	K	76	Confident	63.1	Low	144 Å²	144	108.7 Å²	108.7	63%	0.626	53%	0.533	S	S	*	.	H	α-helix	trans	-66.4	-40.8	179.8	-158.8	174.7	-174	-179	0	110.9	N314 E315 L316 K321 N322	N314-K318 WeakPolarHBondContact O-CB 3.48Å; N314-K318 PolarHBondContact O-N 2.73Å; E315-K318 PolarHBondContact O-N 2.93Å; L316-K318 VanDerWaalsContact C-N 3.34Å; L316-K318 PolarHBondContact O-N 3.03Å; K318-K321 PolarHBondContact O-N 2.89Å; K318-N322 WeakPolarHBondContact O-CB 3.33Å; K318-N322 VanDerWaalsContact O-CG 3.3Å; K318-N322 PolarHBondContact O-N 2.91Å; K318-N322 PolarHBondContact O-ND2 2.86Å
319	N	75.6	Confident	63.2	Low	85 Å²	85	109 Å²	109	46%	0.455	53%	0.534	S	S	.	.	H	α-helix	trans	-67.9	-41.4	174.2	-73	-32.7	0	0	0	112.2	E315 L316 N322 L323	E315-N319 WeakPolarHBondContact O-CB 3.39Å; E315-N319 PolarHBondContact O-N 3.19Å; E315-N319 PolarHBondContact O-ND2 3.13Å; L316-N319 PolarHBondContact O-N 2.94Å; N319-N322 PolarHBondContact O-N 2.63Å; N319-L323 WeakPolarHBondContact O-CB 3.48Å; N319-L323 WeakPolarHBondContact O-CG 3.42Å; N319-L323 PolarHBondContact O-N 3.46Å
320	L	73.8	Confident	63.3	Low	101 Å²	101	109.5 Å²	109.5	53%	0.529	54%	0.538	S	S	.	.	H	α-helix	trans	-63	-41	173.1	-74.7	168.9	0	0	0	112	L316 E317 L323 K324	L316-L320 HydrophobicContact CD2-CD1 4.08Å; L316-L320 HydrophobicContact CG-CD1 4.23Å; L316-L320 WeakPolarHBondContact O-CB 3.34Å; L316-L320 VanDerWaalsContact O-CG 3.3Å; L316-L320 WeakPolarHBondContact O-CG 3.08Å; L316-L320 PolarHBondContact O-N 3.1Å; E317-L320 PolarHBondContact O-N 2.83Å; L320-L323 PolarHBondContact O-N 3.42Å; L320-K324 WeakPolarHBondContact O-CB 3.38Å; L320-K324 PolarHBondContact O-N 2.89Å
321	K	70.8	Confident	62.9	Low	124 Å²	124	108.8 Å²	108.8	54%	0.539	54%	0.536	S	S	.	.	H	α-helix	trans	-63.2	-40.8	173.7	-78.8	162.7	176.4	155.3	0	111.9	E317 K318 K324 N325	E317-K321 WeakPolarHBondContact O-CB 3.23Å; E317-K321 WeakPolarHBondContact O-CG 3.29Å; E317-K321 PolarHBondContact O-N 2.91Å; E317-K321 IonicContact OE2-NZ 2.73Å; E317-K321 PolarHBondContact OE2-NZ 2.82Å; K318-K321 PolarHBondContact O-N 2.89Å; K321-K324 PolarHBondContact O-N 3.45Å; K321-N325 WeakPolarHBondContact O-CB 2.94Å; K321-N325 PolarHBondContact O-N 3.03Å
322	N	70.5	Confident	62.2	Low	86 Å²	86	109.4 Å²	109.4	46%	0.46	54%	0.543	S	S	.	.	H	α-helix	trans	-66.3	-42.5	174.9	-74.4	-19.5	0	0	0	112.4	K318 N319 N325 N326	K318-N322 WeakPolarHBondContact O-CB 3.33Å; K318-N322 VanDerWaalsContact O-CG 3.3Å; K318-N322 PolarHBondContact O-N 2.91Å; K318-N322 PolarHBondContact O-ND2 2.86Å; N319-N322 PolarHBondContact O-N 2.63Å; N322-N325 PolarHBondContact O-N 2.95Å; N322-N326 PolarHBondContact O-N 3.41Å
323	L	63.2	Low	61.7	Low	100 Å²	100	107.9 Å²	107.9	52%	0.524	54%	0.54	S	S	.	.	H	α-helix	trans	-62.7	-41	173.2	-73.5	167.6	0	0	0	111.6	N319 L320 N326 N327	N319-L323 WeakPolarHBondContact O-CB 3.48Å; N319-L323 WeakPolarHBondContact O-CG 3.42Å; N319-L323 PolarHBondContact O-N 3.46Å; L320-L323 PolarHBondContact O-N 3.42Å; L323-N326 PolarHBondContact O-N 3.36Å; L323-N327 WeakPolarHBondContact O-CB 3.48Å; L323-N327 VanDerWaalsContact O-CG 3.28Å; L323-N327 PolarHBondContact O-N 3.28Å
324	K	58.8	Low	62.1	Low	148 Å²	148	108.7 Å²	108.7	64%	0.643	54%	0.544	S	S	*	.	H	α-helix	trans	-63.9	-41.5	174.7	-133.8	173	-173.7	178.1	0	111.7	L320 K321 N327 N328	L320-K324 WeakPolarHBondContact O-CB 3.38Å; L320-K324 PolarHBondContact O-N 2.89Å; K321-K324 PolarHBondContact O-N 3.45Å; K324-N327 PolarHBondContact O-N 3.15Å; K324-N328 WeakPolarHBondContact O-CB 3.5Å; K324-N328 PolarHBondContact O-N 3.13Å; K324-N328 PolarHBondContact O-OD1 3.04Å
325	N	55.1	Low	62.6	Low	98 Å²	98	106.8 Å²	106.8	52%	0.524	53%	0.533	S	S	.	.	H	α-helix	trans	-67	-37.2	175.4	-92.3	-13	0	0	0	113.2	K321 N322 K329	K321-N325 WeakPolarHBondContact O-CB 2.94Å; K321-N325 PolarHBondContact O-N 3.03Å; N322-N325 PolarHBondContact O-N 2.95Å; N325-K329 WeakPolarHBondContact O-CB 3.35Å; N325-K329 WeakPolarHBondContact O-CG 3.23Å; N325-K329 PolarHBondContact O-N 3.24Å
326	N	52.2	Low	63	Low	100 Å²	100	103.1 Å²	103.1	54%	0.535	52%	0.515	S	S	.	.	H	α-helix	trans	-72.9	-34.3	175.5	-75.8	-12	0	0	0	112.4	N322 L323 K329 S330	N322-N326 PolarHBondContact O-N 3.41Å; L323-N326 PolarHBondContact O-N 3.36Å; N326-K329 PolarHBondContact O-N 2.98Å; N326-S330 PolarHBondContact O-N 3.31Å; N326-S330 VanDerWaalsContact O-N 3.17Å; N326-S330 PolarHBondContact O-OG 3.33Å
327	N	49.1	Very low	63.5	Low	90 Å²	90	102.2 Å²	102.2	48%	0.481	51%	0.507	S	S	.	.	H	α-helix	trans	-67.6	-42.6	171	-73.9	-10.2	0	0	0	111.2	L323 K324 K329 S330 Q331	L323-N327 WeakPolarHBondContact O-CB 3.48Å; L323-N327 VanDerWaalsContact O-CG 3.28Å; L323-N327 PolarHBondContact O-N 3.28Å; K324-N327 PolarHBondContact O-N 3.15Å; N327-K329 VanDerWaalsContact C-N 3.3Å; N327-K329 PolarHBondContact O-N 3.03Å; N327-S330 WeakPolarHBondContact CA-OG 3.4Å; N327-S330 PolarHBondContact O-N 3.31Å; N327-S330 VanDerWaalsContact O-N 3.1Å; N327-S330 PolarHBondContact O-OG 3.47Å; N327-Q331 VanDerWaalsContact O-CG 3.26Å; N327-Q331 WeakPolarHBondContact O-CG 3.46Å; N327-Q331 PolarHBondContact O-N 3.01Å
328	N	46	Very low	63.8	Low	82 Å²	82	99 Å²	99	44%	0.439	49%	0.494	S	S	.	.	H	α-helix	trans	-63.7	-34.6	175.1	-70.1	4.2	0	0	0	112.1	K324 S330 Q331	K324-N328 WeakPolarHBondContact O-CB 3.5Å; K324-N328 PolarHBondContact O-N 3.13Å; K324-N328 PolarHBondContact O-OD1 3.04Å; N328-S330 VanDerWaalsContact C-N 3.32Å; N328-S330 PolarHBondContact O-N 3.42Å; N328-Q331 PolarHBondContact O-N 3.14Å
329	K	46.2	Very low	64	Low	169 Å²	169	98 Å²	98	74%	0.735	50%	0.496	S	S	*	.	H	α-helix	trans	-70.5	-22	173.5	-79.5	-179.2	176	-179.5	0	114.2	N325 N326 N327	N325-K329 WeakPolarHBondContact O-CB 3.35Å; N325-K329 WeakPolarHBondContact O-CG 3.23Å; N325-K329 PolarHBondContact O-N 3.24Å; N326-K329 PolarHBondContact O-N 2.98Å; N327-K329 VanDerWaalsContact C-N 3.3Å; N327-K329 PolarHBondContact O-N 3.03Å
330	S	45.9	Very low	64.5	Low	73 Å²	73	95.8 Å²	95.8	51%	0.51	49%	0.487	S	S	.	.	H	α-helix	trans	-93.8	-10.4	175.1	46.2	0	0	0	0	113.9	N326 N327 N328 L332	N326-S330 PolarHBondContact O-N 3.31Å; N326-S330 VanDerWaalsContact O-N 3.17Å; N326-S330 PolarHBondContact O-OG 3.33Å; N327-S330 WeakPolarHBondContact CA-OG 3.4Å; N327-S330 PolarHBondContact O-N 3.31Å; N327-S330 VanDerWaalsContact O-N 3.1Å; N327-S330 PolarHBondContact O-OG 3.47Å; N328-S330 VanDerWaalsContact C-N 3.32Å; N328-S330 PolarHBondContact O-N 3.42Å; S330-L332 VanDerWaalsContact C-N 3.35Å; S330-L332 PolarHBondContact O-N 3.3Å
331	Q	47.7	Very low	65.3	Low	126 Å²	126	95.7 Å²	95.7	59%	0.589	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-5.9	177.9	-79	168.7	8	0	0	115.1	N327 N328 L333	N327-Q331 VanDerWaalsContact O-CG 3.26Å; N327-Q331 WeakPolarHBondContact O-CG 3.46Å; N327-Q331 PolarHBondContact O-N 3.01Å; N328-Q331 PolarHBondContact O-N 3.14Å; Q331-L333 PolarHBondContact O-N 3.29Å
332	L	48.7	Very low	66.1	Low	152 Å²	152	91.8 Å²	91.8	80%	0.796	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	2.4	-177	-117	155.6	0	0	0	114.6	S330	S330-L332 VanDerWaalsContact C-N 3.35Å; S330-L332 PolarHBondContact O-N 3.3Å
333	L	58	Low	67.1	Low	100 Å²	100	87.9 Å²	87.9	52%	0.524	46%	0.464	S	S	.	.	S	Bend	trans	-102.5	114.7	-179.8	-65.2	170.2	0	0	0	110.7	Q331 I335 H411	Q331-L333 PolarHBondContact O-N 3.29Å; L333-I335 PolarHBondContact O-N 3.07Å; L333-H411 VanDerWaalsContact CB-CE1 3.41Å; L333-H411 WeakPolarHBondContact CB-CE1 3.29Å; L333-H411 WeakPolarHBondContact CB-NE2 3.31Å; L333-H411 HydrophobicContact CD1-CB 4.5Å
334	I	72.6	Confident	68.4	Low	111 Å²	111	84.6 Å²	84.6	57%	0.569	45%	0.447	S	S	*	.			trans	-71.5	108.8	-175.3	-55.6	172	0	0	0	109.9	F336 N398	I334-F336 HydrophobicContact CB-CE2 4.32Å; I334-F336 HydrophobicContact CG2-CD2 4.32Å; I334-F336 HydrophobicContact CG2-CE1 4.24Å; I334-F336 HydrophobicContact CG2-CE2 3.62Å; I334-F336 HydrophobicContact CG2-CZ 3.58Å; I334-N398 VanDerWaalsContact O-CB 3.31Å; I334-N398 WeakPolarHBondContact O-CB 3.35Å
335	I	80.6	Confident	70.1	Confident	40 Å²	40	82.6 Å²	82.6	21%	0.205	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-93.4	128.6	175.1	-61.9	167.6	0	0	0	109.8	L333 Y337 K409 H411	L333-I335 PolarHBondContact O-N 3.07Å; I335-Y337 HydrophobicContact CG2-CE1 4.44Å; I335-K409 HydrophobicContact CD1-CB 3.71Å; I335-K409 HydrophobicContact CD1-CD 4.43Å; I335-K409 HydrophobicContact CD1-CG 4.06Å; I335-K409 VanDerWaalsContact CD1-O 3.31Å; I335-K409 WeakPolarHBondContact CD1-O 3.41Å; I335-H411 WeakPolarHBondContact CG1-CE1 3.09Å; I335-H411 VanDerWaalsContact CG1-NE2 3.34Å; I335-H411 WeakPolarHBondContact CG1-NE2 3.4Å
336	F	83.7	Confident	72	Confident	50 Å²	50	80 Å²	80	22%	0.219	43%	0.425	C	S	.	.	B	Isolated β-bridge	trans	-94.8	130.7	175.5	-66.2	-87.9	0	0	0	111.3	I334 Y343 I395 N398 S400	I334-F336 HydrophobicContact CB-CE2 4.32Å; I334-F336 HydrophobicContact CG2-CD2 4.32Å; I334-F336 HydrophobicContact CG2-CE1 4.24Å; I334-F336 HydrophobicContact CG2-CE2 3.62Å; I334-F336 HydrophobicContact CG2-CZ 3.58Å; F336-Y343 HydrophobicContact CB-CD2 4.16Å; F336-I395 HydrophobicContact CB-CG2 4.41Å; F336-I395 HydrophobicContact CD1-CG2 4.42Å; F336-I395 HydrophobicContact CD2-CB 4.36Å; F336-I395 HydrophobicContact CD2-CG1 4.16Å; F336-I395 HydrophobicContact CD2-CG2 4Å; F336-I395 HydrophobicContact CE1-CG1 4.47Å; F336-I395 HydrophobicContact CE2-CB 4.4Å; F336-I395 HydrophobicContact CE2-CG1 3.72Å; F336-I395 HydrophobicContact CE2-CG2 4.42Å; F336-I395 HydrophobicContact CG-CG2 4.01Å; F336-I395 HydrophobicContact CZ-CD1 4.32Å; F336-I395 HydrophobicContact CZ-CG1 3.89Å; F336-N398 HydrophobicContact CD2-CB 4.19Å; F336-N398 PolarHBondContact N-O 3.26Å; F336-S400 PolarHBondContact O-N 3.02Å; F336-S400 PolarHBondContact O-OG 3.35Å
337	Y	84	Confident	74	Confident	66 Å²	66	75.3 Å²	75.3	26%	0.259	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-92.4	124.3	174.5	-61.7	-64.4	0	0	0	110.5	I335 N339 S340 Y343 S400 K407 K409	I335-Y337 HydrophobicContact CG2-CE1 4.44Å; Y337-N339 PolarHBondContact O-N 2.97Å; Y337-S340 PolarHBondContact O-N 3Å; Y337-S340 PolarHBondContact O-OG 3.32Å; Y337-Y343 WeakPolarHBondContact O-CB 3.4Å; Y337-S400 WeakPolarHBondContact CD1-OG 3.23Å; Y337-K407 HydrophobicContact CD1-CD 3.89Å; Y337-K407 HydrophobicContact CE1-CD 3.89Å; Y337-K409 WeakPolarHBondContact OH-CE 3.4Å; Y337-K409 PolarHBondContact OH-NZ 2.92Å
338	P	81.3	Confident	76.1	Confident	33 Å²	33	73.7 Å²	73.7	21%	0.214	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-10.6	-174	27.3	-36.8	0	0	0	114.7	T399 S400 R464	P338-T399 HydrophobicContact CB-CG2 4.41Å; P338-S400 WeakPolarHBondContact CD-O 3.49Å; P338-S400 WeakPolarHBondContact CD-OG 3.35Å; P338-R464 PolarHBondContact O-NE 3.05Å
339	N	80.9	Confident	78.5	Confident	125 Å²	125	72.8 Å²	72.8	67%	0.668	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-4.8	177.8	-68.2	1.6	0	0	0	113.2	Y337 R468	Y337-N339 PolarHBondContact O-N 2.97Å; N339-R468 PolarHBondContact O-NH2 3.34Å
340	S	86.5	Confident	80.9	Confident	37 Å²	37	64.8 Å²	64.8	26%	0.259	35%	0.353	S	S	.	.	S	Bend	trans	-69.7	159.5	-179.2	73.8	0	0	0	0	112	Y337 Y343 L344	Y337-S340 PolarHBondContact O-N 3Å; Y337-S340 PolarHBondContact O-OG 3.32Å; S340-Y343 WeakPolarHBondContact OG-CB 3.49Å; S340-Y343 PolarHBondContact OG-N 3.16Å; S340-Y343 VanDerWaalsContact OG-N 3.08Å; S340-L344 PolarHBondContact O-N 3.4Å
341	T	89.7	Confident	83.2	Confident	100 Å²	100	61.4 Å²	61.4	61%	0.613	33%	0.329	S	S	*	.	H	α-helix	trans	-65.9	-42.3	170.2	45.8	0	0	0	0	111.1	Y343 L344 I345	T341-Y343 VanDerWaalsContact C-N 3.32Å; T341-Y343 PolarHBondContact O-N 3.27Å; T341-L344 WeakPolarHBondContact O-CB 3.42Å; T341-L344 PolarHBondContact O-N 2.87Å; T341-L344 VanDerWaalsContact O-N 3.08Å; T341-I345 WeakPolarHBondContact O-CG1 3.41Å; T341-I345 PolarHBondContact O-N 2.96Å
342	G	88.4	Confident	85.4	Confident	41 Å²	41	61.6 Å²	61.6	42%	0.423	33%	0.332	S	S	.	.	H	α-helix	trans	-56.5	-40.6	176.1	0	0	0	0	0	113.7	L344 I345 W346	G342-L344 PolarHBondContact O-N 3.26Å; G342-I345 PolarHBondContact O-N 2.79Å; G342-W346 PolarHBondContact O-N 2.87Å
343	Y	90.4	Very high	87.6	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.016	30%	0.296	C	S	.	.	H	α-helix	trans	-65.5	-38.3	175.6	-170.3	-97.1	0	0	0	112.5	F336 Y337 S340 T341 W346 L347 I395 T399 R457	F336-Y343 HydrophobicContact CB-CD2 4.16Å; Y337-Y343 WeakPolarHBondContact O-CB 3.4Å; S340-Y343 WeakPolarHBondContact OG-CB 3.49Å; S340-Y343 PolarHBondContact OG-N 3.16Å; S340-Y343 VanDerWaalsContact OG-N 3.08Å; T341-Y343 VanDerWaalsContact C-N 3.32Å; T341-Y343 PolarHBondContact O-N 3.27Å; Y343-W346 PolarHBondContact O-N 3.09Å; Y343-L347 HydrophobicContact CE1-CD2 4.34Å; Y343-L347 WeakPolarHBondContact O-CB 3.47Å; Y343-L347 PolarHBondContact O-N 2.69Å; Y343-I395 HydrophobicContact CD2-CG2 4.41Å; Y343-I395 HydrophobicContact CE2-CG2 4.05Å; Y343-T399 HydrophobicContact CE2-CG2 4.15Å; Y343-R457 PolarHBondContact OH-NH1 2.72Å
344	L	91.5	Very high	89.4	Confident	32 Å²	32	50 Å²	50	17%	0.168	27%	0.272	C	S	.	.	H	α-helix	trans	-65.3	-40.8	175.3	-169.4	96.6	0	0	0	111.6	S340 T341 G342 L347 T348 R464 V465	S340-L344 PolarHBondContact O-N 3.4Å; T341-L344 WeakPolarHBondContact O-CB 3.42Å; T341-L344 PolarHBondContact O-N 2.87Å; T341-L344 VanDerWaalsContact O-N 3.08Å; G342-L344 PolarHBondContact O-N 3.26Å; L344-L347 PolarHBondContact O-N 2.94Å; L344-T348 PolarHBondContact O-N 2.94Å; L344-T348 PolarHBondContact O-OG1 2.74Å; L344-R464 HydrophobicContact CD1-CB 3.73Å; L344-V465 HydrophobicContact CD1-CG2 4.49Å
345	I	93.6	Very high	90.4	Very high	106 Å²	106	46.6 Å²	46.6	54%	0.544	26%	0.255	S	S	.	.	H	α-helix	trans	-63.1	-49.1	176.4	-65.6	164.9	0	0	0	109.8	T341 G342 L347 T348 I349	T341-I345 WeakPolarHBondContact O-CG1 3.41Å; T341-I345 PolarHBondContact O-N 2.96Å; G342-I345 PolarHBondContact O-N 2.79Å; I345-L347 VanDerWaalsContact C-N 3.34Å; I345-L347 PolarHBondContact O-N 3.19Å; I345-T348 WeakPolarHBondContact O-CA 3.37Å; I345-T348 VanDerWaalsContact O-CB 3.29Å; I345-T348 WeakPolarHBondContact O-CB 3.21Å; I345-T348 PolarHBondContact O-N 3.23Å; I345-I349 HydrophobicContact CG2-CD1 4.47Å; I345-I349 PolarHBondContact O-N 3.24Å
346	W	94.4	Very high	91	Very high	44 Å²	44	46.5 Å²	46.5	17%	0.167	25%	0.252	C	S	.	.	H	α-helix	trans	-56	-48	174.9	178.3	-101.7	0	0	0	112.3	G342 Y343 T348 I349 V350 I388 I391 D392 I395	G342-W346 PolarHBondContact O-N 2.87Å; Y343-W346 PolarHBondContact O-N 3.09Å; W346-T348 PolarHBondContact O-N 3.36Å; W346-I349 HydrophobicContact CE3-CD1 4.33Å; W346-I349 WeakPolarHBondContact O-CA 3.5Å; W346-I349 WeakPolarHBondContact O-CB 3.45Å; W346-I349 PolarHBondContact O-N 2.67Å; W346-V350 HydrophobicContact CD2-CG2 4.39Å; W346-V350 HydrophobicContact CZ2-CG2 3.86Å; W346-V350 VanDerWaalsContact NE1-CG2 3.31Å; W346-V350 PolarHBondContact O-N 2.96Å; W346-I388 HydrophobicContact CH2-CG2 4.24Å; W346-I388 HydrophobicContact CZ2-CG2 4.24Å; W346-I391 HydrophobicContact CH2-CB 3.72Å; W346-I391 HydrophobicContact CH2-CD1 4.42Å; W346-I391 HydrophobicContact CH2-CG2 3.4Å; W346-I391 HydrophobicContact CZ2-CB 3.88Å; W346-I391 HydrophobicContact CZ2-CG2 3.63Å; W346-I391 HydrophobicContact CZ3-CG2 4.11Å; W346-D392 HydrophobicContact CZ2-CB 4.23Å; W346-D392 PolarHBondContact NE1-OD1 3.35Å; W346-I395 HydrophobicContact CD2-CD1 3.49Å; W346-I395 VanDerWaalsContact CD2-CD1 3.49Å; W346-I395 HydrophobicContact CE3-CD1 4.09Å; W346-I395 HydrophobicContact CG-CD1 3.79Å; W346-I395 HydrophobicContact CH2-CD1 4.4Å; W346-I395 HydrophobicContact CZ2-CD1 3.84Å; W346-I395 HydrophobicContact CZ3-CD1 4.5Å
347	L	93.9	Very high	91.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64	-25.6	179.3	-171.7	65	0	0	0	112.3	Y343 L344 I345 S351 R457 E460 W461	Y343-L347 HydrophobicContact CE1-CD2 4.34Å; Y343-L347 WeakPolarHBondContact O-CB 3.47Å; Y343-L347 PolarHBondContact O-N 2.69Å; L344-L347 PolarHBondContact O-N 2.94Å; I345-L347 VanDerWaalsContact C-N 3.34Å; I345-L347 PolarHBondContact O-N 3.19Å; L347-S351 VanDerWaalsContact O-CB 3.29Å; L347-S351 WeakPolarHBondContact O-CB 3.38Å; L347-S351 PolarHBondContact O-N 3.46Å; L347-S351 PolarHBondContact O-OG 3.41Å; L347-R457 HydrophobicContact CD1-CB 4.33Å; L347-E460 HydrophobicContact CD2-CB 4.38Å; L347-W461 HydrophobicContact CD2-CB 4.02Å; L347-W461 HydrophobicContact CG-CB 3.84Å; L347-W461 HydrophobicContact CG-CG 4.42Å
348	T	94.2	Very high	91.9	Very high	57 Å²	57	42.1 Å²	42.1	35%	0.35	24%	0.235	S	C	.	.	H	α-helix	trans	-71.5	-40.9	170.7	-53.2	0	0	0	0	111.5	L344 I345 W346 S351 M352 W461	L344-T348 PolarHBondContact O-N 2.94Å; L344-T348 PolarHBondContact O-OG1 2.74Å; I345-T348 WeakPolarHBondContact O-CA 3.37Å; I345-T348 VanDerWaalsContact O-CB 3.29Å; I345-T348 WeakPolarHBondContact O-CB 3.21Å; I345-T348 PolarHBondContact O-N 3.23Å; W346-T348 PolarHBondContact O-N 3.36Å; T348-S351 PolarHBondContact O-N 3.13Å; T348-M352 WeakPolarHBondContact O-CB 3.2Å; T348-M352 PolarHBondContact O-N 3.36Å; T348-W461 HydrophobicContact CG2-CZ2 4.24Å; T348-W461 PolarHBondContact OG1-NE1 3.06Å
349	I	96.1	Very high	92.5	Very high	62 Å²	62	43.7 Å²	43.7	32%	0.318	24%	0.237	S	C	.	.	H	α-helix	trans	-62.2	-46.8	174.3	-62.6	167.4	0	0	0	110.6	I345 W346 S351 M352 A353 I388	I345-I349 HydrophobicContact CG2-CD1 4.47Å; I345-I349 PolarHBondContact O-N 3.24Å; W346-I349 HydrophobicContact CE3-CD1 4.33Å; W346-I349 WeakPolarHBondContact O-CA 3.5Å; W346-I349 WeakPolarHBondContact O-CB 3.45Å; W346-I349 PolarHBondContact O-N 2.67Å; I349-S351 VanDerWaalsContact C-N 3.32Å; I349-S351 PolarHBondContact O-N 3.34Å; I349-M352 PolarHBondContact O-N 2.96Å; I349-A353 PolarHBondContact O-N 3.11Å; I349-I388 HydrophobicContact CG2-CD1 4.02Å; I349-I388 HydrophobicContact CG2-CG1 4.37Å; I349-I388 HydrophobicContact CG2-CG2 4.19Å
350	V	95.7	Very high	93	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-61.5	-40.3	175.9	177.2	0	0	0	0	111.4	W346 A353 L354 I388 Y389 D392 R457	W346-V350 HydrophobicContact CD2-CG2 4.39Å; W346-V350 HydrophobicContact CZ2-CG2 3.86Å; W346-V350 VanDerWaalsContact NE1-CG2 3.31Å; W346-V350 PolarHBondContact O-N 2.96Å; V350-A353 PolarHBondContact O-N 3.45Å; V350-L354 PolarHBondContact O-N 3.46Å; V350-I388 HydrophobicContact CG2-CG2 4Å; V350-Y389 HydrophobicContact CG1-CE1 4.32Å; V350-D392 HydrophobicContact CG2-CB 3.95Å; V350-R457 HydrophobicContact CG1-CB 4.2Å; V350-R457 HydrophobicContact CG1-CG 4.43Å
351	S	94.7	Very high	93.3	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.014	20%	0.2	C	C	.	.	H	α-helix	trans	-65.9	-38.5	176	-63.6	0	0	0	0	112.2	L347 T348 I349 L354 L355 W461	L347-S351 VanDerWaalsContact O-CB 3.29Å; L347-S351 WeakPolarHBondContact O-CB 3.38Å; L347-S351 PolarHBondContact O-N 3.46Å; L347-S351 PolarHBondContact O-OG 3.41Å; T348-S351 PolarHBondContact O-N 3.13Å; I349-S351 VanDerWaalsContact C-N 3.32Å; I349-S351 PolarHBondContact O-N 3.34Å; S351-L354 PolarHBondContact O-N 3.1Å; S351-L355 WeakPolarHBondContact O-CG 3.42Å; S351-L355 PolarHBondContact O-N 2.95Å; S351-W461 WeakPolarHBondContact OG-CB 3.36Å
352	M	94.7	Very high	93.4	Very high	131 Å²	131	32.6 Å²	32.6	65%	0.645	17%	0.172	S	C	*	.	H	α-helix	trans	-65.6	-38.8	174.6	-166.7	174.6	74.8	0	0	111.7	T348 I349 L355 Y356	T348-M352 WeakPolarHBondContact O-CB 3.2Å; T348-M352 PolarHBondContact O-N 3.36Å; I349-M352 PolarHBondContact O-N 2.96Å; M352-L355 PolarHBondContact O-N 3.2Å; M352-Y356 PolarHBondContact O-N 2.85Å
353	A	95.3	Very high	93.6	Very high	5 Å²	5	31.2 Å²	31.2	4%	0.041	16%	0.157	C	C	.	.	H	α-helix	trans	-65.3	-35.6	173.1	0	0	0	0	0	112.8	I349 V350 N357 T385 I388 Y389	I349-A353 PolarHBondContact O-N 3.11Å; V350-A353 PolarHBondContact O-N 3.45Å; A353-N357 PolarHBondContact O-N 2.91Å; A353-N357 PolarHBondContact O-ND2 3.47Å; A353-T385 HydrophobicContact CB-CG2 3.84Å; A353-I388 HydrophobicContact CB-CB 4.46Å; A353-I388 HydrophobicContact CB-CD1 4.2Å; A353-I388 HydrophobicContact CB-CG2 4.08Å; A353-Y389 HydrophobicContact CB-CE1 3.93Å
354	L	94.5	Very high	93.7	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-66.1	-44.6	169.9	-172.7	77.2	0	0	0	111.6	V350 S351 Y356 N357 L358 Y389 R451 K454 W455 Y458	V350-L354 PolarHBondContact O-N 3.46Å; S351-L354 PolarHBondContact O-N 3.1Å; L354-Y356 VanDerWaalsContact C-N 3.34Å; L354-Y356 PolarHBondContact O-N 2.92Å; L354-N357 CarbonylContact O-C 3.53Å; L354-N357 PolarHBondContact O-N 3.45Å; L354-N357 VanDerWaalsContact O-N 3.13Å; L354-L358 VanDerWaalsContact O-CB 3.3Å; L354-L358 WeakPolarHBondContact O-CB 3.48Å; L354-L358 PolarHBondContact O-N 3.23Å; L354-Y389 WeakPolarHBondContact CA-OH 3.2Å; L354-Y389 WeakPolarHBondContact CD1-OH 3.5Å; L354-Y389 PolarHBondContact N-OH 2.89Å; L354-R451 WeakPolarHBondContact CD1-O 3.48Å; L354-K454 HydrophobicContact CD1-CB 4.23Å; L354-W455 HydrophobicContact CD2-CE3 4.13Å; L354-Y458 VanDerWaalsContact CD2-CB 3.42Å; L354-Y458 HydrophobicContact CD2-CG 4.13Å
355	L	93.5	Very high	93.7	Very high	39 Å²	39	31.5 Å²	31.5	20%	0.204	16%	0.157	C	C	.	.	H	α-helix	trans	-62.1	-39.7	178.2	-70.8	175.6	0	0	0	112	S351 M352 N357 L358 W359 Y458 H482	S351-L355 WeakPolarHBondContact O-CG 3.42Å; S351-L355 PolarHBondContact O-N 2.95Å; M352-L355 PolarHBondContact O-N 3.2Å; L355-N357 PolarHBondContact O-N 2.99Å; L355-L358 HydrophobicContact CD2-CD2 4.49Å; L355-L358 PolarHBondContact O-N 2.9Å; L355-W359 VanDerWaalsContact O-CD1 3.3Å; L355-W359 PolarHBondContact O-N 2.87Å; L355-Y458 HydrophobicContact CD1-CE2 4.42Å; L355-Y458 HydrophobicContact CD2-CE2 4.18Å; L355-Y458 HydrophobicContact CG-CE2 4.43Å; L355-H482 WeakPolarHBondContact CD2-NE2 3.46Å
356	Y	94.4	Very high	93.6	Very high	37 Å²	37	26.5 Å²	26.5	15%	0.145	13%	0.132	C	C	.	.	H	α-helix	trans	-55.6	-49.6	170	166.1	-89.9	0	0	0	111.8	M352 L354 L358 W359 T360 R364 W378 F381 D382 T385	M352-Y356 PolarHBondContact O-N 2.85Å; L354-Y356 VanDerWaalsContact C-N 3.34Å; L354-Y356 PolarHBondContact O-N 2.92Å; Y356-L358 VanDerWaalsContact C-N 3.26Å; Y356-L358 PolarHBondContact O-N 3.5Å; Y356-W359 PolarHBondContact O-N 3.31Å; Y356-T360 HydrophobicContact CD2-CG2 3.73Å; Y356-T360 HydrophobicContact CE2-CG2 3.72Å; Y356-T360 HydrophobicContact CG-CG2 4.41Å; Y356-T360 WeakPolarHBondContact O-CB 3.25Å; Y356-T360 WeakPolarHBondContact O-CG2 3.42Å; Y356-T360 PolarHBondContact O-N 3.48Å; Y356-T360 PolarHBondContact O-OG1 3.49Å; Y356-R364 PolarHBondContact OH-NH1 3.45Å; Y356-W378 HydrophobicContact CE2-CE3 4.3Å; Y356-W378 HydrophobicContact CE2-CZ3 4.01Å; Y356-F381 HydrophobicContact CE1-CB 4.43Å; Y356-F381 HydrophobicContact CE2-CB 3.72Å; Y356-F381 HydrophobicContact CE2-CG 4.21Å; Y356-F381 WeakPolarHBondContact OH-CB 3.5Å; Y356-D382 PolarHBondContact OH-OD1 3.28Å; Y356-T385 HydrophobicContact CD1-CG2 3.56Å; Y356-T385 HydrophobicContact CE1-CG2 4.09Å; Y356-T385 HydrophobicContact CG-CG2 4.17Å
357	N	93.1	Very high	93.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66.5	-28.1	178.3	-82.3	-76.6	0	0	0	112.1	A353 L354 L355 P361 T385 R451 F452	A353-N357 PolarHBondContact O-N 2.91Å; A353-N357 PolarHBondContact O-ND2 3.47Å; L354-N357 CarbonylContact O-C 3.53Å; L354-N357 PolarHBondContact O-N 3.45Å; L354-N357 VanDerWaalsContact O-N 3.13Å; L355-N357 PolarHBondContact O-N 2.99Å; N357-P361 WeakPolarHBondContact O-CD 3.33Å; N357-P361 WeakPolarHBondContact O-CG 3.35Å; N357-T385 PolarHBondContact ND2-OG1 3.05Å; N357-R451 HydrophobicContact CB-CB 4.32Å; N357-F452 WeakPolarHBondContact O-CE1 3.4Å
358	L	93.1	Very high	93.1	Very high	24 Å²	24	27.6 Å²	27.6	13%	0.126	14%	0.14	C	C	.	.	H	α-helix	trans	-81.5	-26.3	-178.9	-169.6	55.8	0	0	0	113.1	L354 L355 Y356 W455 L486 W490	L354-L358 VanDerWaalsContact O-CB 3.3Å; L354-L358 WeakPolarHBondContact O-CB 3.48Å; L354-L358 PolarHBondContact O-N 3.23Å; L355-L358 HydrophobicContact CD2-CD2 4.49Å; L355-L358 PolarHBondContact O-N 2.9Å; Y356-L358 VanDerWaalsContact C-N 3.26Å; Y356-L358 PolarHBondContact O-N 3.5Å; L358-W455 HydrophobicContact CD2-CZ3 4.3Å; L358-L486 HydrophobicContact CD1-CD2 4.27Å; L358-L486 HydrophobicContact CD2-CD2 3.44Å; L358-L486 VanDerWaalsContact CD2-CD2 3.44Å; L358-L486 HydrophobicContact CG-CD1 3.96Å; L358-L486 HydrophobicContact CG-CD2 3.63Å; L358-L486 HydrophobicContact CG-CG 4.41Å; L358-W490 HydrophobicContact CD1-CZ2 4.15Å; L358-W490 PolarHBondContact O-NE1 3Å
359	W	93.4	Very high	92.6	Very high	67 Å²	67	28.6 Å²	28.6	25%	0.254	14%	0.141	S	C	.	.	H	α-helix	trans	-95.3	-40.1	177.9	-80.9	84.6	0	0	0	113.8	L355 Y356 H482 F485 L486 H489	L355-W359 VanDerWaalsContact O-CD1 3.3Å; L355-W359 PolarHBondContact O-N 2.87Å; Y356-W359 PolarHBondContact O-N 3.31Å; W359-H482 AromaticContact NE1-CE1 3.41Å; W359-H482 PolarHBondContact NE1-CE1 3.46Å; W359-H482 AromaticContact NE1-NE2 3.5Å; W359-F485 HydrophobicContact CH2-CB 4.13Å; W359-F485 HydrophobicContact CZ2-CB 4.38Å; W359-L486 HydrophobicContact CD2-CD1 3.98Å; W359-L486 HydrophobicContact CG-CD1 4.05Å; W359-L486 HydrophobicContact CZ2-CB 4.02Å; W359-L486 HydrophobicContact CZ2-CD1 4.3Å; W359-H489 HydrophobicContact CE3-CB 4.09Å; W359-H489 AromaticContact CE3-CD2 3.93Å; W359-H489 AromaticContact CE3-CG 3.67Å; W359-H489 AromaticContact CE3-ND1 3.83Å; W359-H489 HydrophobicContact CH2-CB 4.19Å; W359-H489 HydrophobicContact CZ3-CB 3.63Å; W359-H489 AromaticContact CZ3-CG 3.63Å; W359-H489 AromaticContact CZ3-ND1 3.77Å; W359-H489 PolarHBondContact O-NE2 3.31Å
360	T	92.4	Very high	92.2	Very high	23 Å²	23	27.2 Å²	27.2	14%	0.141	13%	0.134	C	C	.	.	H	α-helix	trans	-85.1	-38.8	-164.7	64.1	0	0	0	0	117.1	Y356 I362 A363 R364 W378	Y356-T360 HydrophobicContact CD2-CG2 3.73Å; Y356-T360 HydrophobicContact CE2-CG2 3.72Å; Y356-T360 HydrophobicContact CG-CG2 4.41Å; Y356-T360 WeakPolarHBondContact O-CB 3.25Å; Y356-T360 WeakPolarHBondContact O-CG2 3.42Å; Y356-T360 PolarHBondContact O-N 3.48Å; Y356-T360 PolarHBondContact O-OG1 3.49Å; T360-I362 PolarHBondContact O-N 2.93Å; T360-A363 PolarHBondContact O-N 3.18Å; T360-R364 WeakPolarHBondContact O-CB 3.44Å; T360-R364 WeakPolarHBondContact O-CD 3.39Å; T360-R364 VanDerWaalsContact O-CG 3.24Å; T360-R364 WeakPolarHBondContact O-CG 3.27Å; T360-R364 PolarHBondContact O-N 3.24Å; T360-W378 HydrophobicContact CG2-CH2 4.3Å; T360-W378 HydrophobicContact CG2-CZ3 3.87Å
361	P	91.5	Very high	91.7	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.013	14%	0.137	C	C	.	.	H	α-helix	trans	-67.1	-36	-174.4	-22.1	35.7	0	0	0	113	N357 R364 Q365 P445 M446	N357-P361 WeakPolarHBondContact O-CD 3.33Å; N357-P361 WeakPolarHBondContact O-CG 3.35Å; P361-R364 PolarHBondContact O-N 3.24Å; P361-Q365 WeakPolarHBondContact O-CB 3.42Å; P361-Q365 PolarHBondContact O-N 3.45Å; P361-P445 HydrophobicContact CB-CB 4.43Å; P361-M446 VanDerWaalsContact C-CE 3.48Å; P361-M446 HydrophobicContact CB-CE 4.12Å; P361-M446 WeakPolarHBondContact O-CE 3.18Å
362	I	93.1	Very high	91.3	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.015	17%	0.167	C	C	.	.	H	α-helix	trans	-69.5	-38.9	178.5	-165.8	63.2	0	0	0	111.6	T360 Q365 A366 M446 H489 W490 A493 F494	T360-I362 PolarHBondContact O-N 2.93Å; I362-Q365 PolarHBondContact O-N 3.27Å; I362-A366 WeakPolarHBondContact O-CB 3.45Å; I362-A366 PolarHBondContact O-N 3.34Å; I362-M446 VanDerWaalsContact CA-CE 3.5Å; I362-M446 HydrophobicContact CB-CE 4.08Å; I362-M446 HydrophobicContact CD1-CE 3.77Å; I362-M446 HydrophobicContact CD1-SD 4.31Å; I362-H489 WeakPolarHBondContact CG2-NE2 3.05Å; I362-W490 HydrophobicContact CB-CD2 4.28Å; I362-W490 HydrophobicContact CB-CE3 4.47Å; I362-W490 HydrophobicContact CB-CH2 4.43Å; I362-W490 HydrophobicContact CB-CZ2 4.23Å; I362-W490 HydrophobicContact CD1-CE3 4.14Å; I362-W490 HydrophobicContact CD1-CZ3 4.14Å; I362-W490 HydrophobicContact CG1-CD2 4.03Å; I362-W490 HydrophobicContact CG1-CE3 3.95Å; I362-W490 HydrophobicContact CG1-CG 4.49Å; I362-W490 HydrophobicContact CG1-CZ3 4.27Å; I362-W490 HydrophobicContact CG2-CD2 4.13Å; I362-W490 HydrophobicContact CG2-CG 4.27Å; I362-W490 HydrophobicContact CG2-CZ2 4.28Å; I362-A493 HydrophobicContact CD1-CB 4.36Å; I362-A493 HydrophobicContact CG1-CB 3.63Å; I362-F494 HydrophobicContact CD1-CE1 4.1Å; I362-F494 HydrophobicContact CD1-CZ 4.27Å
363	A	92.5	Very high	90.9	Very high	13 Å²	13	34.5 Å²	34.5	11%	0.107	17%	0.168	C	C	.	.	H	α-helix	trans	-62.1	-45.8	169.8	0	0	0	0	0	112.2	T360 Q365 A366 F367 L370	T360-A363 PolarHBondContact O-N 3.18Å; A363-Q365 VanDerWaalsContact C-N 3.33Å; A363-Q365 PolarHBondContact O-N 2.94Å; A363-A366 PolarHBondContact O-N 2.85Å; A363-F367 WeakPolarHBondContact O-CB 3.45Å; A363-F367 WeakPolarHBondContact O-CD2 3.36Å; A363-F367 PolarHBondContact O-N 3.43Å; A363-L370 HydrophobicContact CB-CD2 4.31Å
364	R	92.1	Very high	90.5	Very high	5 Å²	5	39 Å²	39	2%	0.019	18%	0.184	C	C	.	.	H	α-helix	trans	-66.3	-31	179.6	-71.5	161.5	61.4	176.3	3.8	113.2	Y356 T360 P361 L370 Q371 W378 D382 P445	Y356-R364 PolarHBondContact OH-NH1 3.45Å; T360-R364 WeakPolarHBondContact O-CB 3.44Å; T360-R364 WeakPolarHBondContact O-CD 3.39Å; T360-R364 VanDerWaalsContact O-CG 3.24Å; T360-R364 WeakPolarHBondContact O-CG 3.27Å; T360-R364 PolarHBondContact O-N 3.24Å; P361-R364 PolarHBondContact O-N 3.24Å; R364-L370 HydrophobicContact CG-CD2 4.09Å; R364-Q371 VanDerWaalsContact CZ-OE1 3.24Å; R364-W378 HydrophobicContact CG-CD2 4.43Å; R364-W378 HydrophobicContact CG-CZ2 4.48Å; R364-D382 IonicContact CZ-OD1 2.78Å; R364-D382 IonicContact CZ-OD2 3.89Å; R364-D382 VanDerWaalsContact NH1-CG 3.29Å; R364-D382 IonicContact NH1-OD1 2.67Å; R364-D382 PolarHBondContact NH1-OD1 2.94Å; R364-D382 IonicContact NH1-OD2 3.24Å; R364-D382 PolarHBondContact NH1-OD2 3.08Å; R364-D382 IonicContact NH2-OD2 3.68Å; R364-D382 PolarHBondContact NH2-OD2 2.99Å; R364-P445 HydrophobicContact CB-CB 3.9Å; R364-P445 HydrophobicContact CB-CG 3.75Å
365	Q	91.4	Very high	90.1	Very high	37 Å²	37	43.2 Å²	43.2	17%	0.173	20%	0.204	C	C	.	.	H	α-helix	trans	-76.4	-42.4	176	-170.5	73.4	39.1	0	0	112.3	P361 I362 A363 M446	P361-Q365 WeakPolarHBondContact O-CB 3.42Å; P361-Q365 PolarHBondContact O-N 3.45Å; I362-Q365 PolarHBondContact O-N 3.27Å; A363-Q365 VanDerWaalsContact C-N 3.33Å; A363-Q365 PolarHBondContact O-N 2.94Å; Q365-M446 HydrophobicContact CB-CE 3.79Å; Q365-M446 HydrophobicContact CB-CG 4.03Å; Q365-M446 HydrophobicContact CG-CE 4.33Å; Q365-M446 HydrophobicContact CG-CG 3.58Å; Q365-M446 VanDerWaalsContact OE1-CG 3.31Å
366	A	91.6	Very high	89.8	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-72.9	-45.2	179.6	0	0	0	0	0	111.7	I362 A363 A493 Y496	I362-A366 WeakPolarHBondContact O-CB 3.45Å; I362-A366 PolarHBondContact O-N 3.34Å; A363-A366 PolarHBondContact O-N 2.85Å; A366-A493 HydrophobicContact CB-CB 3.77Å; A366-Y496 HydrophobicContact CB-CD1 4.31Å; A366-Y496 WeakPolarHBondContact O-CD1 3.5Å; A366-Y496 WeakPolarHBondContact O-CE1 3.35Å
367	F	90.6	Very high	89.6	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.018	24%	0.241	C	C	.	.			trans	-109.6	80	-177.1	-54.1	-80.7	0	0	0	110.1	A363 E369 L370 Y496 M521 R524 Y525	A363-F367 WeakPolarHBondContact O-CB 3.45Å; A363-F367 WeakPolarHBondContact O-CD2 3.36Å; A363-F367 PolarHBondContact O-N 3.43Å; F367-E369 PolarHBondContact O-N 3.44Å; F367-L370 WeakPolarHBondContact O-CB 3.48Å; F367-L370 PolarHBondContact O-N 3.17Å; F367-Y496 AromaticContact CD1-CD1 3.98Å; F367-Y496 HydrophobicContact CD1-CD1 3.98Å; F367-Y496 AromaticContact CD1-CE1 3.84Å; F367-Y496 HydrophobicContact CD1-CE1 3.84Å; F367-Y496 HydrophobicContact CD1-CE2 4.49Å; F367-Y496 HydrophobicContact CD1-CG 4.35Å; F367-Y496 AromaticContact CE1-CD1 3.68Å; F367-Y496 HydrophobicContact CE1-CD1 3.68Å; F367-Y496 AromaticContact CE1-CD2 3.76Å; F367-Y496 HydrophobicContact CE1-CD2 3.76Å; F367-Y496 AromaticContact CE1-CE1 3.9Å; F367-Y496 HydrophobicContact CE1-CE1 3.9Å; F367-Y496 AromaticContact CE1-CE2 3.97Å; F367-Y496 HydrophobicContact CE1-CE2 3.97Å; F367-Y496 AromaticContact CE1-CG 3.6Å; F367-Y496 HydrophobicContact CE1-CG 3.6Å; F367-Y496 HydrophobicContact CZ-CD1 4.12Å; F367-Y496 HydrophobicContact CZ-CD2 4.3Å; F367-Y496 AromaticContact CZ-CG 3.86Å; F367-Y496 HydrophobicContact CZ-CG 3.86Å; F367-M521 HydrophobicContact CB-CE 3.76Å; F367-M521 HydrophobicContact CB-CG 4.45Å; F367-M521 HydrophobicContact CG-CE 4.2Å; F367-R524 HydrophobicContact CE1-CB 4.07Å; F367-Y525 HydrophobicContact CD2-CD2 4.4Å; F367-Y525 AromaticContact CE2-CD2 3.71Å; F367-Y525 HydrophobicContact CE2-CD2 3.71Å; F367-Y525 HydrophobicContact CZ-CD2 4.05Å
368	D	86.4	Confident	89.5	Confident	62 Å²	62	51 Å²	51	33%	0.332	25%	0.248	S	C	.	.	H	α-helix	trans	-59.1	-27.2	-176.4	42.7	-39.5	0	0	0	114.4	L370 Q371 L372 K500	D368-L370 PolarHBondContact O-N 3.18Å; D368-Q371 PolarHBondContact O-N 2.75Å; D368-L372 WeakPolarHBondContact O-CG 3.3Å; D368-L372 PolarHBondContact O-N 2.74Å; D368-K500 IonicContact OD1-NZ 3.73Å; D368-K500 PolarHBondContact OD1-NZ 3.29Å; D368-K500 IonicContact OD2-NZ 3.73Å; D368-K500 PolarHBondContact OD2-NZ 2.94Å
369	E	85.3	Confident	89.2	Confident	78 Å²	78	54 Å²	54	36%	0.364	26%	0.264	S	S	.	.	H	α-helix	trans	-53.3	-35.2	169.1	-67.8	174.1	-165.2	0	0	112.6	F367 K373 R524	F367-E369 PolarHBondContact O-N 3.44Å; E369-K373 VanDerWaalsContact O-CB 3.25Å; E369-K373 WeakPolarHBondContact O-CB 3.26Å; E369-K373 PolarHBondContact O-N 3.42Å; E369-R524 IonicContact OE1-CZ 2.98Å; E369-R524 IonicContact OE1-NH1 3.65Å; E369-R524 PolarHBondContact OE1-NH1 2.83Å; E369-R524 IonicContact OE1-NH2 2.8Å; E369-R524 PolarHBondContact OE1-NH2 3.37Å; E369-R524 IonicContact OE2-NH2 2.84Å
370	L	86.2	Confident	89.1	Confident	33 Å²	33	54.4 Å²	54.4	17%	0.173	28%	0.277	C	S	.	.	H	α-helix	trans	-67.2	-38.1	178.6	-172.1	64.1	0	0	0	111.9	A363 R364 F367 D368 W378 M521	A363-L370 HydrophobicContact CB-CD2 4.31Å; R364-L370 HydrophobicContact CG-CD2 4.09Å; F367-L370 WeakPolarHBondContact O-CB 3.48Å; F367-L370 PolarHBondContact O-N 3.17Å; D368-L370 PolarHBondContact O-N 3.18Å; L370-W378 HydrophobicContact CD1-CZ2 3.85Å; L370-W378 HydrophobicContact CD2-CH2 4.48Å; L370-W378 HydrophobicContact CD2-CZ2 3.83Å; L370-W378 HydrophobicContact CG-CZ2 3.67Å; L370-W378 PolarHBondContact O-NE1 3.29Å; L370-M521 HydrophobicContact CB-CE 3.81Å; L370-M521 HydrophobicContact CB-SD 4.19Å; L370-M521 HydrophobicContact CD1-CE 3.96Å; L370-M521 HydrophobicContact CD1-SD 4.16Å; L370-M521 HydrophobicContact CD2-CE 4.01Å; L370-M521 HydrophobicContact CG-CE 4.13Å
371	Q	86.3	Confident	89.2	Confident	13 Å²	13	58 Å²	58	6%	0.061	29%	0.291	C	S	.	.	H	α-helix	trans	-73.6	-43.7	178.9	177.4	56.9	58.2	0	0	111	R364 D368 Q375 I443 P445	R364-Q371 VanDerWaalsContact CZ-OE1 3.24Å; D368-Q371 PolarHBondContact O-N 2.75Å; Q371-Q375 WeakPolarHBondContact O-CA 3.44Å; Q371-Q375 PolarHBondContact O-N 3.36Å; Q371-I443 HydrophobicContact CG-CG2 3.92Å; Q371-P445 HydrophobicContact CG-CG 4.42Å
372	L	85.5	Confident	89.2	Confident	123 Å²	123	58 Å²	58	64%	0.644	29%	0.291	S	S	*	.	H	α-helix	trans	-68.9	-43.4	-178	-67.5	171.1	0	0	0	112.2	D368 Y374	D368-L372 WeakPolarHBondContact O-CG 3.3Å; D368-L372 PolarHBondContact O-N 2.74Å; L372-Y374 PolarHBondContact O-N 3.38Å
373	K	86.7	Confident	89	Confident	152 Å²	152	62.2 Å²	62.2	66%	0.661	31%	0.312	S	S	*	.	H	α-helix	trans	-70.4	-29	-175.2	-169.8	175.9	-179.8	-167.8	0	114.1	E369	E369-K373 VanDerWaalsContact O-CB 3.25Å; E369-K373 WeakPolarHBondContact O-CB 3.26Å; E369-K373 PolarHBondContact O-N 3.42Å
374	Y	87.7	Confident	89.1	Confident	99 Å²	99	66.1 Å²	66.1	39%	0.388	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.6	29.8	-170.9	-60.7	-66.5	0	0	0	113.6	L372 T376 I377 W378	L372-Y374 PolarHBondContact O-N 3.38Å; Y374-T376 VanDerWaalsContact C-N 3.32Å; Y374-T376 PolarHBondContact O-N 3.27Å; Y374-T376 VanDerWaalsContact O-N 3.17Å; Y374-I377 HydrophobicContact CD1-CD1 4Å; Y374-I377 PolarHBondContact O-N 3.33Å; Y374-W378 PolarHBondContact O-N 3.41Å; Y374-W378 VanDerWaalsContact O-N 3.11Å
375	Q	84.9	Confident	89.2	Confident	93 Å²	93	66.1 Å²	66.1	44%	0.435	33%	0.332	S	S	.	.	H	α-helix	trans	-48.5	-46.4	-173.7	-178.5	175.8	-17	0	0	114.1	Q371 I377 W378 L379	Q371-Q375 WeakPolarHBondContact O-CA 3.44Å; Q371-Q375 PolarHBondContact O-N 3.36Å; Q375-I377 PolarHBondContact O-N 3.35Å; Q375-W378 PolarHBondContact O-N 3.16Å; Q375-L379 WeakPolarHBondContact O-CB 3.35Å; Q375-L379 PolarHBondContact O-N 3.34Å
376	T	87	Confident	89.2	Confident	110 Å²	110	65.7 Å²	65.7	68%	0.675	33%	0.331	S	S	*	.	H	α-helix	trans	-63.3	-42.1	-179.1	-44	0	0	0	0	112.5	Y374 L379 S380	Y374-T376 VanDerWaalsContact C-N 3.32Å; Y374-T376 PolarHBondContact O-N 3.27Å; Y374-T376 VanDerWaalsContact O-N 3.17Å; T376-L379 PolarHBondContact O-N 3.23Å; T376-S380 PolarHBondContact O-N 3.42Å; T376-S380 PolarHBondContact O-OG 3.28Å; T376-S380 VanDerWaalsContact O-OG 3.13Å
377	I	91.7	Very high	89.4	Confident	89 Å²	89	69.8 Å²	69.8	46%	0.456	35%	0.351	S	S	.	.	H	α-helix	trans	-66.6	-44	-179.3	-63.2	175.3	0	0	0	110	Y374 Q375 S380 F381	Y374-I377 HydrophobicContact CD1-CD1 4Å; Y374-I377 PolarHBondContact O-N 3.33Å; Q375-I377 PolarHBondContact O-N 3.35Å; I377-S380 PolarHBondContact O-N 3.14Å; I377-F381 HydrophobicContact CG2-CD2 3.81Å; I377-F381 HydrophobicContact CG2-CE2 3.54Å; I377-F381 VanDerWaalsContact O-CD2 3.29Å; I377-F381 WeakPolarHBondContact O-CD2 3.49Å; I377-F381 PolarHBondContact O-N 3.07Å; I377-F381 VanDerWaalsContact O-N 3.1Å
378	W	90.2	Very high	89.6	Confident	39 Å²	39	70.7 Å²	70.7	15%	0.148	36%	0.356	C	S	.	.	H	α-helix	trans	-59.2	-47.7	174.6	-68.9	123.6	0	0	0	111.6	Y356 T360 R364 L370 Y374 Q375 S380 F381 D382	Y356-W378 HydrophobicContact CE2-CE3 4.3Å; Y356-W378 HydrophobicContact CE2-CZ3 4.01Å; T360-W378 HydrophobicContact CG2-CH2 4.3Å; T360-W378 HydrophobicContact CG2-CZ3 3.87Å; R364-W378 HydrophobicContact CG-CD2 4.43Å; R364-W378 HydrophobicContact CG-CZ2 4.48Å; L370-W378 HydrophobicContact CD1-CZ2 3.85Å; L370-W378 HydrophobicContact CD2-CH2 4.48Å; L370-W378 HydrophobicContact CD2-CZ2 3.83Å; L370-W378 HydrophobicContact CG-CZ2 3.67Å; L370-W378 PolarHBondContact O-NE1 3.29Å; Y374-W378 PolarHBondContact O-N 3.41Å; Y374-W378 VanDerWaalsContact O-N 3.11Å; Q375-W378 PolarHBondContact O-N 3.16Å; W378-S380 VanDerWaalsContact C-N 3.28Å; W378-S380 PolarHBondContact O-N 2.98Å; W378-F381 PolarHBondContact O-N 3.17Å; W378-F381 VanDerWaalsContact O-N 3.14Å; W378-D382 WeakPolarHBondContact O-CB 3.41Å; W378-D382 PolarHBondContact O-N 2.98Å
379	L	87.8	Confident	90	Very high	88 Å²	88	67.8 Å²	67.8	46%	0.461	34%	0.34	S	S	.	.	H	α-helix	trans	-57.5	-40.6	177.7	-176.5	63.8	0	0	0	112.2	Q375 T376 D382 I383	Q375-L379 WeakPolarHBondContact O-CB 3.35Å; Q375-L379 PolarHBondContact O-N 3.34Å; T376-L379 PolarHBondContact O-N 3.23Å; L379-D382 PolarHBondContact O-N 3.1Å; L379-I383 HydrophobicContact CD1-CD1 4.05Å; L379-I383 HydrophobicContact CD1-CG1 4.36Å; L379-I383 HydrophobicContact CG-CD1 3.92Å; L379-I383 WeakPolarHBondContact O-CB 3.35Å; L379-I383 WeakPolarHBondContact O-CD1 3.5Å; L379-I383 VanDerWaalsContact O-CG1 3.26Å; L379-I383 WeakPolarHBondContact O-CG1 3.27Å; L379-I383 PolarHBondContact O-N 3.15Å
380	S	91.4	Very high	90.4	Very high	75 Å²	75	69 Å²	69	52%	0.524	35%	0.349	S	S	.	.	H	α-helix	trans	-62.5	-45	175	-58.9	0	0	0	0	112.9	T376 I377 W378 L384	T376-S380 PolarHBondContact O-N 3.42Å; T376-S380 PolarHBondContact O-OG 3.28Å; T376-S380 VanDerWaalsContact O-OG 3.13Å; I377-S380 PolarHBondContact O-N 3.14Å; W378-S380 VanDerWaalsContact C-N 3.28Å; W378-S380 PolarHBondContact O-N 2.98Å; S380-L384 VanDerWaalsContact O-CB 3.31Å; S380-L384 WeakPolarHBondContact O-CB 3.49Å; S380-L384 PolarHBondContact O-N 2.97Å
381	F	92.7	Very high	90.8	Very high	100 Å²	100	71 Å²	71	44%	0.439	36%	0.359	S	S	.	.	H	α-helix	trans	-67.7	-39.3	176.6	-76.3	-60.7	0	0	0	112.6	Y356 I377 W378 L384 T385	Y356-F381 HydrophobicContact CE1-CB 4.43Å; Y356-F381 HydrophobicContact CE2-CB 3.72Å; Y356-F381 HydrophobicContact CE2-CG 4.21Å; Y356-F381 WeakPolarHBondContact OH-CB 3.5Å; I377-F381 HydrophobicContact CG2-CD2 3.81Å; I377-F381 HydrophobicContact CG2-CE2 3.54Å; I377-F381 VanDerWaalsContact O-CD2 3.29Å; I377-F381 WeakPolarHBondContact O-CD2 3.49Å; I377-F381 PolarHBondContact O-N 3.07Å; I377-F381 VanDerWaalsContact O-N 3.1Å; W378-F381 PolarHBondContact O-N 3.17Å; W378-F381 VanDerWaalsContact O-N 3.14Å; F381-L384 PolarHBondContact O-N 3.37Å; F381-T385 PolarHBondContact O-N 3.47Å
382	D	91.4	Very high	91.2	Very high	2 Å²	2	70.4 Å²	70.4	1%	0.011	36%	0.356	C	S	.	.	H	α-helix	trans	-59.4	-52.3	177.8	-63.4	-31.8	0	0	0	110.4	Y356 R364 W378 L379 L384 T385 D386 R448	Y356-D382 PolarHBondContact OH-OD1 3.28Å; R364-D382 IonicContact CZ-OD1 2.78Å; R364-D382 IonicContact CZ-OD2 3.89Å; R364-D382 VanDerWaalsContact NH1-CG 3.29Å; R364-D382 IonicContact NH1-OD1 2.67Å; R364-D382 PolarHBondContact NH1-OD1 2.94Å; R364-D382 IonicContact NH1-OD2 3.24Å; R364-D382 PolarHBondContact NH1-OD2 3.08Å; R364-D382 IonicContact NH2-OD2 3.68Å; R364-D382 PolarHBondContact NH2-OD2 2.99Å; W378-D382 WeakPolarHBondContact O-CB 3.41Å; W378-D382 PolarHBondContact O-N 2.98Å; L379-D382 PolarHBondContact O-N 3.1Å; D382-L384 VanDerWaalsContact C-N 3.33Å; D382-L384 PolarHBondContact O-N 3.25Å; D382-T385 PolarHBondContact O-N 3.35Å; D382-T385 VanDerWaalsContact O-N 3.17Å; D382-T385 PolarHBondContact O-OG1 3.49Å; D382-D386 PolarHBondContact O-N 3.11Å; D382-D386 VanDerWaalsContact O-N 3.07Å; D382-R448 IonicContact OD1-CZ 3Å; D382-R448 IonicContact OD1-NH1 3.99Å; D382-R448 PolarHBondContact OD1-NH1 3.46Å; D382-R448 IonicContact OD2-CZ 2.85Å; D382-R448 VanDerWaalsContact OD2-CZ 3.27Å; D382-R448 IonicContact OD2-NH1 3.27Å; D382-R448 PolarHBondContact OD2-NH1 2.94Å; D382-R448 IonicContact OD2-NH2 3.52Å
383	I	90.8	Very high	91.5	Very high	91 Å²	91	66.1 Å²	66.1	47%	0.467	33%	0.334	S	S	.	.	H	α-helix	trans	-58.2	-43.1	174.8	-68.8	167.3	0	0	0	111.2	L379 T385 D386 I387	L379-I383 HydrophobicContact CD1-CD1 4.05Å; L379-I383 HydrophobicContact CD1-CG1 4.36Å; L379-I383 HydrophobicContact CG-CD1 3.92Å; L379-I383 WeakPolarHBondContact O-CB 3.35Å; L379-I383 WeakPolarHBondContact O-CD1 3.5Å; L379-I383 VanDerWaalsContact O-CG1 3.26Å; L379-I383 WeakPolarHBondContact O-CG1 3.27Å; L379-I383 PolarHBondContact O-N 3.15Å; I383-T385 VanDerWaalsContact C-N 3.33Å; I383-T385 PolarHBondContact O-N 3.32Å; I383-D386 PolarHBondContact O-N 3.43Å; I383-I387 HydrophobicContact CG2-CD1 3.77Å; I383-I387 HydrophobicContact CG2-CG1 4.37Å; I383-I387 VanDerWaalsContact O-CG1 3.3Å; I383-I387 WeakPolarHBondContact O-CG1 3.49Å; I383-I387 PolarHBondContact O-N 3.37Å
384	L	94.1	Very high	91.8	Very high	94 Å²	94	64.5 Å²	64.5	49%	0.492	33%	0.327	S	S	.	.	H	α-helix	trans	-61.5	-39.4	178.2	-177.7	128.3	0	0	0	111.9	S380 F381 D382 I387 I388	S380-L384 VanDerWaalsContact O-CB 3.31Å; S380-L384 WeakPolarHBondContact O-CB 3.49Å; S380-L384 PolarHBondContact O-N 2.97Å; F381-L384 PolarHBondContact O-N 3.37Å; D382-L384 VanDerWaalsContact C-N 3.33Å; D382-L384 PolarHBondContact O-N 3.25Å; L384-I387 PolarHBondContact O-N 3.27Å; L384-I388 HydrophobicContact CD2-CD1 3.81Å; L384-I388 HydrophobicContact CG-CD1 4.36Å; L384-I388 VanDerWaalsContact O-CG1 3.32Å; L384-I388 WeakPolarHBondContact O-CG1 3.38Å; L384-I388 PolarHBondContact O-N 3.06Å
385	T	93.2	Very high	92	Very high	6 Å²	6	60.1 Å²	60.1	4%	0.037	31%	0.31	C	S	.	.	H	α-helix	trans	-70.3	-38.1	176	60.4	0	0	0	0	113.5	A353 Y356 N357 F381 D382 I383 I387 I388 Y389	A353-T385 HydrophobicContact CB-CG2 3.84Å; Y356-T385 HydrophobicContact CD1-CG2 3.56Å; Y356-T385 HydrophobicContact CE1-CG2 4.09Å; Y356-T385 HydrophobicContact CG-CG2 4.17Å; N357-T385 PolarHBondContact ND2-OG1 3.05Å; F381-T385 PolarHBondContact O-N 3.47Å; D382-T385 PolarHBondContact O-N 3.35Å; D382-T385 VanDerWaalsContact O-N 3.17Å; D382-T385 PolarHBondContact O-OG1 3.49Å; I383-T385 VanDerWaalsContact C-N 3.33Å; I383-T385 PolarHBondContact O-N 3.32Å; T385-I387 VanDerWaalsContact C-N 3.35Å; T385-I388 PolarHBondContact O-N 2.89Å; T385-Y389 PolarHBondContact O-N 3.48Å
386	D	93	Very high	92.2	Very high	28 Å²	28	56.3 Å²	56.3	15%	0.15	29%	0.292	C	S	.	.	H	α-helix	trans	-67	-35.2	174.7	-79.4	-10.5	0	0	0	111.4	D382 I383 Y389 L390 L431 R451	D382-D386 PolarHBondContact O-N 3.11Å; D382-D386 VanDerWaalsContact O-N 3.07Å; I383-D386 PolarHBondContact O-N 3.43Å; D386-Y389 PolarHBondContact O-N 3.1Å; D386-L390 WeakPolarHBondContact O-CG 3.28Å; D386-L390 PolarHBondContact O-N 3.36Å; D386-L431 HydrophobicContact CB-CD2 4.18Å; D386-R451 IonicContact OD1-CZ 2.75Å; D386-R451 IonicContact OD1-NE 3.97Å; D386-R451 PolarHBondContact OD1-NE 3.12Å; D386-R451 IonicContact OD1-NH2 3.65Å; D386-R451 PolarHBondContact OD1-NH2 3.42Å; D386-R451 IonicContact OD2-CZ 3.21Å; D386-R451 IonicContact OD2-NE 3.99Å; D386-R451 IonicContact OD2-NH2 2.76Å; D386-R451 PolarHBondContact OD2-NH2 3.42Å
387	I	94.1	Very high	92.4	Very high	87 Å²	87	52.1 Å²	52.1	45%	0.446	27%	0.267	S	S	.	.	H	α-helix	trans	-62.1	-45.6	170.8	-70.5	167.7	0	0	0	111.3	I383 L384 T385 Y389 L390 I391	I383-I387 HydrophobicContact CG2-CD1 3.77Å; I383-I387 HydrophobicContact CG2-CG1 4.37Å; I383-I387 VanDerWaalsContact O-CG1 3.3Å; I383-I387 WeakPolarHBondContact O-CG1 3.49Å; I383-I387 PolarHBondContact O-N 3.37Å; L384-I387 PolarHBondContact O-N 3.27Å; T385-I387 VanDerWaalsContact C-N 3.35Å; I387-Y389 PolarHBondContact O-N 3.23Å; I387-L390 PolarHBondContact O-N 3.27Å; I387-I391 HydrophobicContact CG2-CD1 3.81Å; I387-I391 HydrophobicContact CG2-CG1 4.48Å; I387-I391 WeakPolarHBondContact O-CG1 3.32Å; I387-I391 PolarHBondContact O-N 2.85Å
388	I	95.7	Very high	92.3	Very high	23 Å²	23	48.6 Å²	48.6	12%	0.118	25%	0.249	C	C	.	.	H	α-helix	trans	-58.9	-39.7	176	-70.2	163.8	0	0	0	110.5	W346 I349 V350 A353 L384 T385 I391 D392	W346-I388 HydrophobicContact CH2-CG2 4.24Å; W346-I388 HydrophobicContact CZ2-CG2 4.24Å; I349-I388 HydrophobicContact CG2-CD1 4.02Å; I349-I388 HydrophobicContact CG2-CG1 4.37Å; I349-I388 HydrophobicContact CG2-CG2 4.19Å; V350-I388 HydrophobicContact CG2-CG2 4Å; A353-I388 HydrophobicContact CB-CB 4.46Å; A353-I388 HydrophobicContact CB-CD1 4.2Å; A353-I388 HydrophobicContact CB-CG2 4.08Å; L384-I388 HydrophobicContact CD2-CD1 3.81Å; L384-I388 HydrophobicContact CG-CD1 4.36Å; L384-I388 VanDerWaalsContact O-CG1 3.32Å; L384-I388 WeakPolarHBondContact O-CG1 3.38Å; L384-I388 PolarHBondContact O-N 3.06Å; T385-I388 PolarHBondContact O-N 2.89Å; I388-I391 PolarHBondContact O-N 3.32Å; I388-D392 WeakPolarHBondContact O-CB 3.38Å; I388-D392 PolarHBondContact O-N 2.97Å
389	Y	94.3	Very high	92.2	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-69.7	-35.5	178.1	-75.5	4.6	0	0	0	113.3	V350 A353 L354 T385 D386 I387 D392 I393 L431 R451 K454	V350-Y389 HydrophobicContact CG1-CE1 4.32Å; A353-Y389 HydrophobicContact CB-CE1 3.93Å; L354-Y389 WeakPolarHBondContact CA-OH 3.2Å; L354-Y389 WeakPolarHBondContact CD1-OH 3.5Å; L354-Y389 PolarHBondContact N-OH 2.89Å; T385-Y389 PolarHBondContact O-N 3.48Å; D386-Y389 PolarHBondContact O-N 3.1Å; I387-Y389 PolarHBondContact O-N 3.23Å; Y389-D392 PolarHBondContact O-N 3.44Å; Y389-I393 PolarHBondContact O-N 3.25Å; Y389-L431 HydrophobicContact CD2-CD2 4.48Å; Y389-R451 HydrophobicContact CD2-CG 4.27Å; Y389-R451 HydrophobicContact CE2-CB 3.94Å; Y389-R451 HydrophobicContact CE2-CG 3.83Å; Y389-K454 HydrophobicContact CD1-CD 3.65Å; Y389-K454 HydrophobicContact CD2-CD 3.65Å; Y389-K454 HydrophobicContact CE1-CD 3.75Å; Y389-K454 HydrophobicContact CE2-CD 3.74Å; Y389-K454 HydrophobicContact CG-CD 3.59Å
390	L	93.8	Very high	92.2	Very high	105 Å²	105	44 Å²	44	55%	0.55	23%	0.229	S	C	.	.	H	α-helix	trans	-64.8	-44	171.9	-74.8	165.7	0	0	0	111.8	D386 I387 D392 I393 F394 L431	D386-L390 WeakPolarHBondContact O-CG 3.28Å; D386-L390 PolarHBondContact O-N 3.36Å; I387-L390 PolarHBondContact O-N 3.27Å; L390-D392 VanDerWaalsContact C-N 3.31Å; L390-D392 PolarHBondContact O-N 3.01Å; L390-I393 PolarHBondContact O-N 3.48Å; L390-F394 PolarHBondContact O-N 3.48Å; L390-L431 HydrophobicContact CD2-CD1 3.78Å; L390-L431 HydrophobicContact CG-CD1 4.01Å; L390-L431 HydrophobicContact CG-CD2 4.47Å
391	I	94.3	Very high	92	Very high	74 Å²	74	42.5 Å²	42.5	38%	0.379	21%	0.213	S	C	.	.	H	α-helix	trans	-65.7	-35.4	176.4	-61.8	166.1	0	0	0	110.8	W346 I387 I388 I393 F394 I395	W346-I391 HydrophobicContact CH2-CB 3.72Å; W346-I391 HydrophobicContact CH2-CD1 4.42Å; W346-I391 HydrophobicContact CH2-CG2 3.4Å; W346-I391 HydrophobicContact CZ2-CB 3.88Å; W346-I391 HydrophobicContact CZ2-CG2 3.63Å; W346-I391 HydrophobicContact CZ3-CG2 4.11Å; I387-I391 HydrophobicContact CG2-CD1 3.81Å; I387-I391 HydrophobicContact CG2-CG1 4.48Å; I387-I391 WeakPolarHBondContact O-CG1 3.32Å; I387-I391 PolarHBondContact O-N 2.85Å; I388-I391 PolarHBondContact O-N 3.32Å; I391-I393 VanDerWaalsContact C-N 3.32Å; I391-I393 PolarHBondContact O-N 3.38Å; I391-F394 WeakPolarHBondContact O-CB 3.21Å; I391-F394 PolarHBondContact O-N 3.03Å; I391-I395 HydrophobicContact CG2-CD1 3.82Å; I391-I395 HydrophobicContact CG2-CG1 4.42Å; I391-I395 WeakPolarHBondContact O-CG1 3.41Å; I391-I395 PolarHBondContact O-N 3.21Å
392	D	94.6	Very high	91.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.1	-33.8	175.7	-176.1	53.7	0	0	0	113	W346 V350 I388 Y389 L390 I395 Q396 K454 R457	W346-D392 HydrophobicContact CZ2-CB 4.23Å; W346-D392 PolarHBondContact NE1-OD1 3.35Å; V350-D392 HydrophobicContact CG2-CB 3.95Å; I388-D392 WeakPolarHBondContact O-CB 3.38Å; I388-D392 PolarHBondContact O-N 2.97Å; Y389-D392 PolarHBondContact O-N 3.44Å; L390-D392 VanDerWaalsContact C-N 3.31Å; L390-D392 PolarHBondContact O-N 3.01Å; D392-I395 PolarHBondContact O-N 3.28Å; D392-Q396 WeakPolarHBondContact O-CG 3.09Å; D392-Q396 PolarHBondContact O-N 2.89Å; D392-Q396 PolarHBondContact O-NE2 3.02Å; D392-Q396 PolarHBondContact OD2-NE2 3.33Å; D392-Q396 VanDerWaalsContact OD2-NE2 3.17Å; D392-K454 IonicContact OD2-NZ 2.72Å; D392-K454 PolarHBondContact OD2-NZ 3.12Å; D392-R457 IonicContact OD1-CZ 3.73Å; D392-R457 IonicContact OD1-NE 2.74Å; D392-R457 IonicContact OD1-NH2 2.88Å; D392-R457 PolarHBondContact OD1-NH2 3.42Å; D392-R457 IonicContact OD2-NE 2.9Å; D392-R457 PolarHBondContact OD2-NE 3.02Å; D392-R457 IonicContact OD2-NH2 3.1Å
393	I	92.7	Very high	91.1	Very high	33 Å²	33	46.3 Å²	46.3	17%	0.169	23%	0.231	C	C	.	.	H	α-helix	trans	-65.1	-46	171.9	-69.1	178.1	0	0	0	110.6	Y389 L390 I391 I395 Q396 C397 Y418 D427 L431	Y389-I393 PolarHBondContact O-N 3.25Å; L390-I393 PolarHBondContact O-N 3.48Å; I391-I393 VanDerWaalsContact C-N 3.32Å; I391-I393 PolarHBondContact O-N 3.38Å; I393-I395 VanDerWaalsContact C-N 3.3Å; I393-I395 PolarHBondContact O-N 3.43Å; I393-Q396 PolarHBondContact O-N 3.33Å; I393-Q396 VanDerWaalsContact O-N 3.15Å; I393-C397 PolarHBondContact O-N 3.49Å; I393-C397 PolarHBondContact O-SG 2.65Å; I393-C397 VanDerWaalsContact O-SG 3.41Å; I393-Y418 HydrophobicContact CG2-CE1 4.19Å; I393-D427 HydrophobicContact CD1-CB 3.99Å; I393-D427 HydrophobicContact CG1-CB 4.01Å; I393-L431 HydrophobicContact CD1-CD1 3.6Å
394	F	91.8	Very high	90.7	Very high	118 Å²	118	46.7 Å²	46.7	52%	0.518	24%	0.241	S	C	.	.	H	α-helix	trans	-60.4	-40.3	177.2	178.8	-97.3	0	0	0	112.2	L390 I391 C397 N398	L390-F394 PolarHBondContact O-N 3.48Å; I391-F394 WeakPolarHBondContact O-CB 3.21Å; I391-F394 PolarHBondContact O-N 3.03Å; F394-C397 PolarHBondContact O-N 3.16Å; F394-N398 VanDerWaalsContact CZ-ND2 3.35Å; F394-N398 WeakPolarHBondContact CZ-ND2 3.29Å; F394-N398 PolarHBondContact O-N 3.42Å; F394-N398 PolarHBondContact O-ND2 2.92Å
395	I	91.6	Very high	89.9	Confident	8 Å²	8	44.6 Å²	44.6	4%	0.041	24%	0.242	C	C	.	.	H	α-helix	trans	-67.5	-35.5	176.4	-71.6	168.4	0	0	0	111.2	F336 Y343 W346 I391 D392 I393 N398 T399	F336-I395 HydrophobicContact CB-CG2 4.41Å; F336-I395 HydrophobicContact CD1-CG2 4.42Å; F336-I395 HydrophobicContact CD2-CB 4.36Å; F336-I395 HydrophobicContact CD2-CG1 4.16Å; F336-I395 HydrophobicContact CD2-CG2 4Å; F336-I395 HydrophobicContact CE1-CG1 4.47Å; F336-I395 HydrophobicContact CE2-CB 4.4Å; F336-I395 HydrophobicContact CE2-CG1 3.72Å; F336-I395 HydrophobicContact CE2-CG2 4.42Å; F336-I395 HydrophobicContact CG-CG2 4.01Å; F336-I395 HydrophobicContact CZ-CD1 4.32Å; F336-I395 HydrophobicContact CZ-CG1 3.89Å; Y343-I395 HydrophobicContact CD2-CG2 4.41Å; Y343-I395 HydrophobicContact CE2-CG2 4.05Å; W346-I395 HydrophobicContact CD2-CD1 3.49Å; W346-I395 VanDerWaalsContact CD2-CD1 3.49Å; W346-I395 HydrophobicContact CE3-CD1 4.09Å; W346-I395 HydrophobicContact CG-CD1 3.79Å; W346-I395 HydrophobicContact CH2-CD1 4.4Å; W346-I395 HydrophobicContact CZ2-CD1 3.84Å; W346-I395 HydrophobicContact CZ3-CD1 4.5Å; I391-I395 HydrophobicContact CG2-CD1 3.82Å; I391-I395 HydrophobicContact CG2-CG1 4.42Å; I391-I395 WeakPolarHBondContact O-CG1 3.41Å; I391-I395 PolarHBondContact O-N 3.21Å; D392-I395 PolarHBondContact O-N 3.28Å; I393-I395 VanDerWaalsContact C-N 3.3Å; I393-I395 PolarHBondContact O-N 3.43Å; I395-N398 CarbonylContact O-C 3.37Å; I395-N398 PolarHBondContact O-N 2.84Å; I395-T399 PolarHBondContact O-N 3.3Å; I395-T399 PolarHBondContact O-OG1 3.34Å
396	Q	91	Very high	89.3	Confident	12 Å²	12	50.5 Å²	50.5	6%	0.056	27%	0.272	C	S	.	.	H	α-helix	trans	-67.5	-42.7	174.7	-78.4	179.3	95.4	0	0	113.2	D392 I393 N398 T399 Y418 D427 Y456	D392-Q396 WeakPolarHBondContact O-CG 3.09Å; D392-Q396 PolarHBondContact O-N 2.89Å; D392-Q396 PolarHBondContact O-NE2 3.02Å; D392-Q396 PolarHBondContact OD2-NE2 3.33Å; D392-Q396 VanDerWaalsContact OD2-NE2 3.17Å; I393-Q396 PolarHBondContact O-N 3.33Å; I393-Q396 VanDerWaalsContact O-N 3.15Å; Q396-N398 PolarHBondContact O-N 3.22Å; Q396-N398 VanDerWaalsContact O-N 3.11Å; Q396-T399 PolarHBondContact O-N 3.03Å; Q396-T399 VanDerWaalsContact O-N 3.1Å; Q396-Y418 HydrophobicContact CB-CD2 3.87Å; Q396-Y418 HydrophobicContact CB-CE1 4.27Å; Q396-Y418 HydrophobicContact CB-CE2 3.54Å; Q396-Y418 HydrophobicContact CB-CG 4.37Å; Q396-Y418 HydrophobicContact CG-CE2 4.19Å; Q396-D427 PolarHBondContact NE2-OD2 3.11Å; Q396-Y456 PolarHBondContact NE2-OH 3.44Å; Q396-Y456 PolarHBondContact OE1-OH 3.1Å
397	C	90.2	Very high	88.7	Confident	22 Å²	22	54.9 Å²	54.9	15%	0.149	29%	0.29	C	S	.	.	H	α-helix	trans	-54.7	-29.5	172.4	-68.8	0	0	0	0	112.8	I393 F394 L414 Y418	I393-C397 PolarHBondContact O-N 3.49Å; I393-C397 PolarHBondContact O-SG 2.65Å; I393-C397 VanDerWaalsContact O-SG 3.41Å; F394-C397 PolarHBondContact O-N 3.16Å; C397-L414 VanDerWaalsContact O-CB 3.25Å; C397-L414 WeakPolarHBondContact O-CB 3.42Å; C397-Y418 WeakPolarHBondContact SG-CD1 3.32Å
398	N	88.9	Confident	88.3	Confident	15 Å²	15	51.7 Å²	51.7	8%	0.08	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	11.7	-178.8	-66.6	-45.8	0	0	0	114.3	I334 F336 F394 I395 Q396 S400 H411	I334-N398 VanDerWaalsContact O-CB 3.31Å; I334-N398 WeakPolarHBondContact O-CB 3.35Å; F336-N398 HydrophobicContact CD2-CB 4.19Å; F336-N398 PolarHBondContact N-O 3.26Å; F394-N398 VanDerWaalsContact CZ-ND2 3.35Å; F394-N398 WeakPolarHBondContact CZ-ND2 3.29Å; F394-N398 PolarHBondContact O-N 3.42Å; F394-N398 PolarHBondContact O-ND2 2.92Å; I395-N398 CarbonylContact O-C 3.37Å; I395-N398 PolarHBondContact O-N 2.84Å; Q396-N398 PolarHBondContact O-N 3.22Å; Q396-N398 VanDerWaalsContact O-N 3.11Å; N398-S400 PolarHBondContact O-N 3.48Å; N398-H411 PolarHBondContact OD1-CE1 3.2Å; N398-H411 PolarHBondContact OD1-ND1 3.05Å
399	T	88.3	Confident	87.7	Confident	26 Å²	26	56.1 Å²	56.1	16%	0.16	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-81.8	117.1	177.8	-66.3	0	0	0	0	110.2	P338 Y343 I395 Q396	P338-T399 HydrophobicContact CB-CG2 4.41Å; Y343-T399 HydrophobicContact CE2-CG2 4.15Å; I395-T399 PolarHBondContact O-N 3.3Å; I395-T399 PolarHBondContact O-OG1 3.34Å; Q396-T399 PolarHBondContact O-N 3.03Å; Q396-T399 VanDerWaalsContact O-N 3.1Å
400	S	88	Confident	87.2	Confident	4 Å²	4	61 Å²	61	3%	0.028	32%	0.316	C	S	.	.			trans	-67.2	151.1	177.6	58	0	0	0	0	113	F336 Y337 P338 N398 V408	F336-S400 PolarHBondContact O-N 3.02Å; F336-S400 PolarHBondContact O-OG 3.35Å; Y337-S400 WeakPolarHBondContact CD1-OG 3.23Å; P338-S400 WeakPolarHBondContact CD-O 3.49Å; P338-S400 WeakPolarHBondContact CD-OG 3.35Å; N398-S400 PolarHBondContact O-N 3.48Å; S400-V408 WeakPolarHBondContact CB-O 3.37Å
401	Y	86.9	Confident	86.7	Confident	45 Å²	45	57.9 Å²	57.9	18%	0.176	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	161.4	176.5	67.8	-98.3	0	0	0	112.1	K403 V408 L414 R417	Y401-K403 HydrophobicContact CD2-CB 4.39Å; Y401-K403 HydrophobicContact CE2-CB 3.98Å; Y401-V408 HydrophobicContact CD2-CB 4.43Å; Y401-V408 HydrophobicContact CD2-CG2 4.1Å; Y401-V408 HydrophobicContact CE1-CB 4.29Å; Y401-V408 HydrophobicContact CE1-CG1 4.33Å; Y401-V408 HydrophobicContact CE2-CB 4.22Å; Y401-V408 HydrophobicContact CE2-CG2 3.72Å; Y401-V408 PolarHBondContact O-N 3.17Å; Y401-L414 HydrophobicContact CD1-CD2 3.54Å; Y401-L414 HydrophobicContact CE1-CD2 3.66Å; Y401-R417 VanDerWaalsContact CB-NH1 3.34Å; Y401-R417 HydrophobicContact CE1-CB 4.25Å
402	L	86	Confident	86.4	Confident	56 Å²	56	61.8 Å²	61.8	29%	0.293	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	123.3	177.1	-65.9	170	0	0	0	111	F181 Q184 L406 K407	F181-L402 HydrophobicContact CD2-CD1 3.99Å; F181-L402 HydrophobicContact CE2-CD1 3.88Å; Q184-L402 PolarHBondContact NE2-O 3.44Å; L402-L406 CarbonylContact C-O 3.59Å; L402-L406 WeakPolarHBondContact CA-O 3.46Å; L402-K407 HydrophobicContact CD2-CG 3.87Å
403	K	80.2	Confident	86.1	Confident	126 Å²	126	66.4 Å²	66.4	55%	0.548	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	122.6	167.7	-164.7	175.2	179.7	179.8	0	108.7	Q184 Y401 G405 L406 V408	Q184-K403 VanDerWaalsContact NE2-CA 3.26Å; Y401-K403 HydrophobicContact CD2-CB 4.39Å; Y401-K403 HydrophobicContact CE2-CB 3.98Å; K403-G405 VanDerWaalsContact C-N 3.27Å; K403-G405 PolarHBondContact O-N 3.09Å; K403-L406 PolarHBondContact N-O 3.36Å; K403-L406 PolarHBondContact O-N 2.9Å; K403-V408 HydrophobicContact CB-CG2 3.51Å
404	C	81.1	Confident	85.9	Confident	99 Å²	99	65 Å²	65	67%	0.669	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	39	-176	-51.9	0	0	0	0	113.7	L406	C404-L406 PolarHBondContact O-N 3.41Å
405	G	77.4	Confident	85.8	Confident	49 Å²	49	63.3 Å²	63.3	51%	0.505	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	-14.4	-175.8	0	0	0	0	0	114.7	K403	K403-G405 VanDerWaalsContact C-N 3.27Å; K403-G405 PolarHBondContact O-N 3.09Å
406	L	80.5	Confident	85.8	Confident	131 Å²	131	67.4 Å²	67.4	69%	0.686	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	141.6	-177.5	-60.3	176.1	0	0	0	111.5	L402 K403 C404 V408	L402-L406 CarbonylContact C-O 3.59Å; L402-L406 WeakPolarHBondContact CA-O 3.46Å; K403-L406 PolarHBondContact N-O 3.36Å; K403-L406 PolarHBondContact O-N 2.9Å; C404-L406 PolarHBondContact O-N 3.41Å; L406-V408 PolarHBondContact O-N 3.21Å
407	K	81.9	Confident	85.7	Confident	120 Å²	120	70 Å²	70	52%	0.522	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	112.7	173.7	-63.7	175.9	-177.5	174.1	0	109.2	Y337 L402 K409	Y337-K407 HydrophobicContact CD1-CD 3.89Å; Y337-K407 HydrophobicContact CE1-CD 3.89Å; L402-K407 HydrophobicContact CD2-CG 3.87Å; K407-K409 PolarHBondContact O-N 2.97Å
408	V	84.7	Confident	85.7	Confident	20 Å²	20	69.7 Å²	69.7	12%	0.121	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	123	173.5	-179	0	0	0	0	109	S400 Y401 K403 L406 K413 L414	S400-V408 WeakPolarHBondContact CB-O 3.37Å; Y401-V408 HydrophobicContact CD2-CB 4.43Å; Y401-V408 HydrophobicContact CD2-CG2 4.1Å; Y401-V408 HydrophobicContact CE1-CB 4.29Å; Y401-V408 HydrophobicContact CE1-CG1 4.33Å; Y401-V408 HydrophobicContact CE2-CB 4.22Å; Y401-V408 HydrophobicContact CE2-CG2 3.72Å; Y401-V408 PolarHBondContact O-N 3.17Å; K403-V408 HydrophobicContact CB-CG2 3.51Å; L406-V408 PolarHBondContact O-N 3.21Å; V408-K413 HydrophobicContact CG1-CB 4.15Å; V408-K413 HydrophobicContact CG1-CD 4.39Å; V408-L414 HydrophobicContact CG1-CD2 4.31Å
409	K	82.6	Confident	85.8	Confident	116 Å²	116	73.1 Å²	73.1	50%	0.504	37%	0.366	S	S	.	.			trans	-104.7	-11.2	179.5	-68.6	-171.9	179.5	-174.3	0	114.1	I335 Y337 K407 H411	I335-K409 HydrophobicContact CD1-CB 3.71Å; I335-K409 HydrophobicContact CD1-CD 4.43Å; I335-K409 HydrophobicContact CD1-CG 4.06Å; I335-K409 VanDerWaalsContact CD1-O 3.31Å; I335-K409 WeakPolarHBondContact CD1-O 3.41Å; Y337-K409 WeakPolarHBondContact OH-CE 3.4Å; Y337-K409 PolarHBondContact OH-NZ 2.92Å; K407-K409 PolarHBondContact O-N 2.97Å; K409-H411 PolarHBondContact O-N 3.46Å
410	E	84.5	Confident	85.9	Confident	101 Å²	101	80.4 Å²	80.4	47%	0.472	40%	0.396	S	S	.	.			trans	-74.6	109.7	-174	-65.7	170	-115.3	0	0	112.8	Q412 K413 L414	E410-Q412 VanDerWaalsContact C-N 3.31Å; E410-Q412 PolarHBondContact O-N 3.14Å; E410-K413 HydrophobicContact CB-CB 4.3Å; E410-K413 HydrophobicContact CB-CD 4.17Å; E410-K413 HydrophobicContact CB-CG 4.29Å; E410-K413 WeakPolarHBondContact O-CA 3.48Å; E410-K413 WeakPolarHBondContact O-CB 3.39Å; E410-K413 PolarHBondContact O-N 3.28Å; E410-K413 IonicContact OE1-NZ 3.84Å; E410-K413 PolarHBondContact OE1-NZ 3.24Å; E410-K413 VanDerWaalsContact OE2-CD 3.31Å; E410-K413 WeakPolarHBondContact OE2-CD 3.48Å; E410-K413 WeakPolarHBondContact OE2-CE 3.49Å; E410-K413 IonicContact OE2-NZ 2.92Å; E410-K413 PolarHBondContact OE2-NZ 3.38Å; E410-L414 PolarHBondContact O-N 3.02Å; E410-L414 VanDerWaalsContact O-N 3.12Å
411	H	84.6	Confident	86	Confident	40 Å²	40	80.9 Å²	80.9	19%	0.185	40%	0.399	C	S	.	.	H	α-helix	trans	-53.1	-39.4	-175.1	-67.8	-86.1	0	0	0	114.8	L333 I335 N398 K409 K413 L414 L415	L333-H411 VanDerWaalsContact CB-CE1 3.41Å; L333-H411 WeakPolarHBondContact CB-CE1 3.29Å; L333-H411 WeakPolarHBondContact CB-NE2 3.31Å; L333-H411 HydrophobicContact CD1-CB 4.5Å; I335-H411 WeakPolarHBondContact CG1-CE1 3.09Å; I335-H411 VanDerWaalsContact CG1-NE2 3.34Å; I335-H411 WeakPolarHBondContact CG1-NE2 3.4Å; N398-H411 PolarHBondContact OD1-CE1 3.2Å; N398-H411 PolarHBondContact OD1-ND1 3.05Å; K409-H411 PolarHBondContact O-N 3.46Å; H411-K413 VanDerWaalsContact C-N 3.3Å; H411-K413 PolarHBondContact O-N 3.1Å; H411-L414 PolarHBondContact O-N 2.91Å; H411-L414 VanDerWaalsContact O-N 3.15Å; H411-L415 WeakPolarHBondContact O-CB 3.38Å; H411-L415 PolarHBondContact O-N 3.36Å
412	Q	87.2	Confident	86.1	Confident	157 Å²	157	82.2 Å²	82.2	73%	0.734	41%	0.405	S	S	*	.	H	α-helix	trans	-59.4	-40.8	176.2	-67.5	-178.3	-8.3	0	0	111.9	E410 I416	E410-Q412 VanDerWaalsContact C-N 3.31Å; E410-Q412 PolarHBondContact O-N 3.14Å; Q412-I416 WeakPolarHBondContact O-CB 3.22Å; Q412-I416 WeakPolarHBondContact O-CD1 3.32Å; Q412-I416 WeakPolarHBondContact O-CG1 3.44Å; Q412-I416 PolarHBondContact O-N 3.31Å
413	K	88.1	Confident	86.4	Confident	97 Å²	97	81.5 Å²	81.5	42%	0.422	40%	0.399	S	S	.	.	H	α-helix	trans	-73.3	-27.5	177.4	-66.8	178.7	-179.1	155.5	0	112.5	V408 E410 H411 R417	V408-K413 HydrophobicContact CG1-CB 4.15Å; V408-K413 HydrophobicContact CG1-CD 4.39Å; E410-K413 HydrophobicContact CB-CB 4.3Å; E410-K413 HydrophobicContact CB-CD 4.17Å; E410-K413 HydrophobicContact CB-CG 4.29Å; E410-K413 WeakPolarHBondContact O-CA 3.48Å; E410-K413 WeakPolarHBondContact O-CB 3.39Å; E410-K413 PolarHBondContact O-N 3.28Å; E410-K413 IonicContact OE1-NZ 3.84Å; E410-K413 PolarHBondContact OE1-NZ 3.24Å; E410-K413 VanDerWaalsContact OE2-CD 3.31Å; E410-K413 WeakPolarHBondContact OE2-CD 3.48Å; E410-K413 WeakPolarHBondContact OE2-CE 3.49Å; E410-K413 IonicContact OE2-NZ 2.92Å; E410-K413 PolarHBondContact OE2-NZ 3.38Å; H411-K413 VanDerWaalsContact C-N 3.3Å; H411-K413 PolarHBondContact O-N 3.1Å; K413-R417 WeakPolarHBondContact O-CB 3.29Å; K413-R417 PolarHBondContact O-N 3.14Å
414	L	88.9	Confident	86.9	Confident	4 Å²	4	77.6 Å²	77.6	2%	0.021	38%	0.382	C	S	.	.	H	α-helix	trans	-71	-53	172.9	-56.1	-174.2	0	0	0	110.6	C397 Y401 V408 E410 H411 R417 Y418	C397-L414 VanDerWaalsContact O-CB 3.25Å; C397-L414 WeakPolarHBondContact O-CB 3.42Å; Y401-L414 HydrophobicContact CD1-CD2 3.54Å; Y401-L414 HydrophobicContact CE1-CD2 3.66Å; V408-L414 HydrophobicContact CG1-CD2 4.31Å; E410-L414 PolarHBondContact O-N 3.02Å; E410-L414 VanDerWaalsContact O-N 3.12Å; H411-L414 PolarHBondContact O-N 2.91Å; H411-L414 VanDerWaalsContact O-N 3.15Å; L414-R417 PolarHBondContact O-N 3.08Å; L414-Y418 PolarHBondContact O-N 2.91Å
415	L	89.6	Confident	87.5	Confident	81 Å²	81	78.5 Å²	78.5	42%	0.424	38%	0.38	S	S	.	.	H	α-helix	trans	-61.3	-49.2	-179.3	-174.8	149.5	0	0	0	111.7	H411 R417 Y418 M419	H411-L415 WeakPolarHBondContact O-CB 3.38Å; H411-L415 PolarHBondContact O-N 3.36Å; L415-R417 VanDerWaalsContact C-N 3.26Å; L415-R417 PolarHBondContact O-N 3.38Å; L415-Y418 PolarHBondContact O-N 3.45Å; L415-Y418 VanDerWaalsContact O-N 3.14Å; L415-M419 HydrophobicContact CD2-CG 3.68Å; L415-M419 HydrophobicContact CG-CG 4.13Å; L415-M419 WeakPolarHBondContact O-CB 3.45Å; L415-M419 WeakPolarHBondContact O-CG 3.45Å; L415-M419 PolarHBondContact O-N 3.07Å
416	I	90.3	Very high	88.2	Confident	94 Å²	94	78.3 Å²	78.3	48%	0.482	37%	0.367	S	S	.	.	H	α-helix	trans	-61	-36.3	179.2	-68.4	167.1	0	0	0	111.5	Q412 K420	Q412-I416 WeakPolarHBondContact O-CB 3.22Å; Q412-I416 WeakPolarHBondContact O-CD1 3.32Å; Q412-I416 WeakPolarHBondContact O-CG1 3.44Å; Q412-I416 PolarHBondContact O-N 3.31Å; I416-K420 HydrophobicContact CG2-CD 4.28Å; I416-K420 WeakPolarHBondContact O-CB 3.45Å; I416-K420 WeakPolarHBondContact O-CG 3.29Å; I416-K420 PolarHBondContact O-N 2.9Å
417	R	89.2	Confident	88.8	Confident	68 Å²	68	72 Å²	72	26%	0.257	33%	0.334	S	S	.	.	H	α-helix	trans	-66.2	-47.7	174.6	178.9	-179.7	174.9	165.7	-3.8	111.1	D178 S180 Y401 K413 L414 L415 K420 S421	D178-R417 VanDerWaalsContact CG-NH2 3.27Å; D178-R417 IonicContact OD2-CZ 2.92Å; D178-R417 VanDerWaalsContact OD2-CZ 3.23Å; D178-R417 IonicContact OD2-NE 2.69Å; D178-R417 PolarHBondContact OD2-NE 2.85Å; D178-R417 IonicContact OD2-NH2 3.19Å; D178-R417 PolarHBondContact OD2-NH2 3Å; S180-R417 PolarHBondContact OG-NH1 2.92Å; Y401-R417 VanDerWaalsContact CB-NH1 3.34Å; Y401-R417 HydrophobicContact CE1-CB 4.25Å; K413-R417 WeakPolarHBondContact O-CB 3.29Å; K413-R417 PolarHBondContact O-N 3.14Å; L414-R417 PolarHBondContact O-N 3.08Å; L415-R417 VanDerWaalsContact C-N 3.26Å; L415-R417 PolarHBondContact O-N 3.38Å; R417-K420 PolarHBondContact O-N 2.92Å; R417-S421 PolarHBondContact O-N 2.81Å
418	Y	90.6	Very high	89.3	Confident	15 Å²	15	70 Å²	70	6%	0.059	33%	0.328	C	S	.	.	H	α-helix	trans	-62.2	-48.9	-179.1	173.4	-116.1	0	0	0	111.7	I393 Q396 C397 L414 L415 K420 S421 K423 F424 D427	I393-Y418 HydrophobicContact CG2-CE1 4.19Å; Q396-Y418 HydrophobicContact CB-CD2 3.87Å; Q396-Y418 HydrophobicContact CB-CE1 4.27Å; Q396-Y418 HydrophobicContact CB-CE2 3.54Å; Q396-Y418 HydrophobicContact CB-CG 4.37Å; Q396-Y418 HydrophobicContact CG-CE2 4.19Å; C397-Y418 WeakPolarHBondContact SG-CD1 3.32Å; L414-Y418 PolarHBondContact O-N 2.91Å; L415-Y418 PolarHBondContact O-N 3.45Å; L415-Y418 VanDerWaalsContact O-N 3.14Å; Y418-K420 PolarHBondContact O-N 3.33Å; Y418-S421 VanDerWaalsContact O-CB 3.32Å; Y418-S421 WeakPolarHBondContact O-CB 3.42Å; Y418-S421 PolarHBondContact O-N 3.17Å; Y418-K423 HydrophobicContact CE2-CB 4.31Å; Y418-F424 HydrophobicContact CD1-CD2 4.18Å; Y418-F424 HydrophobicContact CE1-CB 4.24Å; Y418-F424 AromaticContact CE1-CD2 3.48Å; Y418-F424 HydrophobicContact CE1-CD2 3.48Å; Y418-F424 VanDerWaalsContact CE1-CD2 3.48Å; Y418-F424 HydrophobicContact CE1-CE2 4.25Å; Y418-F424 HydrophobicContact CE1-CG 4.24Å; Y418-F424 HydrophobicContact CE2-CB 4.18Å; Y418-F424 AromaticContact CZ-CD2 3.81Å; Y418-F424 WeakPolarHBondContact O-CB 3.44Å; Y418-D427 PolarHBondContact OH-OD2 3.36Å
419	M	91	Very high	89.5	Confident	86 Å²	86	71.3 Å²	71.3	42%	0.424	34%	0.336	S	S	.	.	H	α-helix	trans	-58.4	-31.7	177.5	-66.1	-69.1	-64.3	0	0	113.5	L415 F424	L415-M419 HydrophobicContact CD2-CG 3.68Å; L415-M419 HydrophobicContact CG-CG 4.13Å; L415-M419 WeakPolarHBondContact O-CB 3.45Å; L415-M419 WeakPolarHBondContact O-CG 3.45Å; L415-M419 PolarHBondContact O-N 3.07Å; M419-F424 HydrophobicContact CE-CD1 4.13Å; M419-F424 HydrophobicContact CE-CE1 3.29Å; M419-F424 HydrophobicContact CE-CE2 4.25Å; M419-F424 HydrophobicContact CE-CZ 3.36Å; M419-F424 HydrophobicContact SD-CD1 3.96Å; M419-F424 HydrophobicContact SD-CD2 3.99Å; M419-F424 HydrophobicContact SD-CE1 3.52Å; M419-F424 VanDerWaalsContact SD-CE1 3.52Å; M419-F424 HydrophobicContact SD-CE2 3.54Å; M419-F424 VanDerWaalsContact SD-CE2 3.54Å; M419-F424 HydrophobicContact SD-CG 4.17Å; M419-F424 HydrophobicContact SD-CZ 3.27Å; M419-F424 WeakPolarHBondContact SD-CZ 3.4Å
420	K	90.5	Very high	89.9	Confident	179 Å²	179	65.8 Å²	65.8	78%	0.778	31%	0.312	S	S	*	.	H	α-helix	trans	-83.8	-11	175.4	-73.8	-175.7	175.8	-170.8	0	113.8	I416 R417 Y418	I416-K420 HydrophobicContact CG2-CD 4.28Å; I416-K420 WeakPolarHBondContact O-CB 3.45Å; I416-K420 WeakPolarHBondContact O-CG 3.29Å; I416-K420 PolarHBondContact O-N 2.9Å; R417-K420 PolarHBondContact O-N 2.92Å; Y418-K420 PolarHBondContact O-N 3.33Å
421	S	89.4	Confident	90.1	Very high	15 Å²	15	62.6 Å²	62.6	11%	0.105	30%	0.298	C	S	.	.	S	Bend	trans	-85.9	142.6	-179.6	-164.9	0	0	0	0	110.8	R417 Y418 K423 F424	R417-S421 PolarHBondContact O-N 2.81Å; Y418-S421 VanDerWaalsContact O-CB 3.32Å; Y418-S421 WeakPolarHBondContact O-CB 3.42Å; Y418-S421 PolarHBondContact O-N 3.17Å; S421-K423 PolarHBondContact O-N 2.91Å; S421-F424 PolarHBondContact O-N 3.01Å
422	Y	90.6	Very high	90.2	Very high	73 Å²	73	63.8 Å²	63.8	29%	0.286	31%	0.306	S	S	.	.	H	α-helix	trans	-54.7	-23.7	174	74.7	-78.1	0	0	0	113.3	N176 F424 L425 L426	N176-Y422 HydrophobicContact CB-CD1 3.95Å; N176-Y422 HydrophobicContact CB-CE1 3.87Å; N176-Y422 WeakPolarHBondContact O-CE1 3.33Å; Y422-F424 VanDerWaalsContact C-N 3.28Å; Y422-F424 PolarHBondContact O-N 3.49Å; Y422-L425 WeakPolarHBondContact O-CB 3.36Å; Y422-L425 PolarHBondContact O-N 2.98Å; Y422-L426 HydrophobicContact CD2-CD1 3.72Å; Y422-L426 HydrophobicContact CD2-CG 4.36Å; Y422-L426 HydrophobicContact CE2-CD1 3.82Å; Y422-L426 PolarHBondContact O-N 3.36Å; Y422-L426 VanDerWaalsContact O-N 3.09Å
423	K	91.4	Very high	89.9	Confident	40 Å²	40	60.1 Å²	60.1	17%	0.174	30%	0.295	C	S	.	.	H	α-helix	trans	-54.4	-42.1	173.7	-63.6	-174	174.4	-161.8	0	112.6	Y418 S421 L425 L426 D427 Y456 E460	Y418-K423 HydrophobicContact CE2-CB 4.31Å; S421-K423 PolarHBondContact O-N 2.91Å; K423-L425 VanDerWaalsContact C-N 3.35Å; K423-L425 PolarHBondContact O-N 3.29Å; K423-L426 PolarHBondContact O-N 2.91Å; K423-D427 WeakPolarHBondContact O-CB 3.42Å; K423-D427 PolarHBondContact O-N 2.87Å; K423-Y456 HydrophobicContact CB-CE2 4.16Å; K423-Y456 HydrophobicContact CD-CD2 4.35Å; K423-Y456 HydrophobicContact CD-CE2 3.79Å; K423-Y456 HydrophobicContact CG-CD2 4.28Å; K423-Y456 HydrophobicContact CG-CE2 3.85Å; K423-E460 IonicContact NZ-OE2 3.38Å; K423-E460 PolarHBondContact NZ-OE2 3.28Å
424	F	91.7	Very high	89.6	Confident	44 Å²	44	57.7 Å²	57.7	19%	0.193	29%	0.287	C	S	.	.	H	α-helix	trans	-65.6	-38.1	179.5	176.3	-116.6	0	0	0	112.2	Y418 M419 S421 Y422 D427 I428	Y418-F424 HydrophobicContact CD1-CD2 4.18Å; Y418-F424 HydrophobicContact CE1-CB 4.24Å; Y418-F424 AromaticContact CE1-CD2 3.48Å; Y418-F424 HydrophobicContact CE1-CD2 3.48Å; Y418-F424 VanDerWaalsContact CE1-CD2 3.48Å; Y418-F424 HydrophobicContact CE1-CE2 4.25Å; Y418-F424 HydrophobicContact CE1-CG 4.24Å; Y418-F424 HydrophobicContact CE2-CB 4.18Å; Y418-F424 AromaticContact CZ-CD2 3.81Å; Y418-F424 WeakPolarHBondContact O-CB 3.44Å; M419-F424 HydrophobicContact CE-CD1 4.13Å; M419-F424 HydrophobicContact CE-CE1 3.29Å; M419-F424 HydrophobicContact CE-CE2 4.25Å; M419-F424 HydrophobicContact CE-CZ 3.36Å; M419-F424 HydrophobicContact SD-CD1 3.96Å; M419-F424 HydrophobicContact SD-CD2 3.99Å; M419-F424 HydrophobicContact SD-CE1 3.52Å; M419-F424 VanDerWaalsContact SD-CE1 3.52Å; M419-F424 HydrophobicContact SD-CE2 3.54Å; M419-F424 VanDerWaalsContact SD-CE2 3.54Å; M419-F424 HydrophobicContact SD-CG 4.17Å; M419-F424 HydrophobicContact SD-CZ 3.27Å; M419-F424 WeakPolarHBondContact SD-CZ 3.4Å; S421-F424 PolarHBondContact O-N 3.01Å; Y422-F424 VanDerWaalsContact C-N 3.28Å; Y422-F424 PolarHBondContact O-N 3.49Å; F424-D427 PolarHBondContact O-N 2.77Å; F424-I428 HydrophobicContact CD1-CD1 3.89Å; F424-I428 HydrophobicContact CD2-CD1 4.24Å; F424-I428 HydrophobicContact CD2-CG1 4.39Å; F424-I428 HydrophobicContact CE1-CD1 3.33Å; F424-I428 HydrophobicContact CE1-CG1 4.41Å; F424-I428 HydrophobicContact CE2-CD1 3.74Å; F424-I428 HydrophobicContact CE2-CG1 3.97Å; F424-I428 HydrophobicContact CG-CD1 4.32Å; F424-I428 HydrophobicContact CZ-CD1 3.25Å; F424-I428 HydrophobicContact CZ-CG1 3.98Å; F424-I428 WeakPolarHBondContact O-CG1 3.41Å; F424-I428 PolarHBondContact O-N 3.42Å
425	L	92	Very high	89.1	Confident	118 Å²	118	58.6 Å²	58.6	62%	0.618	29%	0.292	S	S	*	.	H	α-helix	trans	-65.4	-44.8	175.5	-178.5	63.8	0	0	0	111.9	Y422 K423 D427 T429	Y422-L425 WeakPolarHBondContact O-CB 3.36Å; Y422-L425 PolarHBondContact O-N 2.98Å; K423-L425 VanDerWaalsContact C-N 3.35Å; K423-L425 PolarHBondContact O-N 3.29Å; L425-D427 VanDerWaalsContact C-N 3.28Å; L425-D427 PolarHBondContact O-N 3.22Å; L425-T429 WeakPolarHBondContact O-CB 3.3Å; L425-T429 PolarHBondContact O-N 2.98Å; L425-T429 PolarHBondContact O-OG1 2.95Å
426	L	92.7	Very high	88.6	Confident	45 Å²	45	60 Å²	60	24%	0.236	30%	0.299	C	S	.	.	H	α-helix	trans	-59	-41.5	174.3	-68.9	177	0	0	0	111.4	Y422 K423 T429 S430 L453 Y456	Y422-L426 HydrophobicContact CD2-CD1 3.72Å; Y422-L426 HydrophobicContact CD2-CG 4.36Å; Y422-L426 HydrophobicContact CE2-CD1 3.82Å; Y422-L426 PolarHBondContact O-N 3.36Å; Y422-L426 VanDerWaalsContact O-N 3.09Å; K423-L426 PolarHBondContact O-N 2.91Å; L426-T429 PolarHBondContact O-N 2.82Å; L426-S430 WeakPolarHBondContact O-CB 3.37Å; L426-S430 PolarHBondContact O-N 3.43Å; L426-L453 HydrophobicContact CD2-CB 4.45Å; L426-L453 HydrophobicContact CD2-CD2 4.44Å; L426-Y456 HydrophobicContact CB-CD1 4.46Å; L426-Y456 HydrophobicContact CB-CE1 4.29Å; L426-Y456 HydrophobicContact CD1-CD1 3.89Å; L426-Y456 HydrophobicContact CD1-CE1 4.42Å; L426-Y456 HydrophobicContact CD1-CG 4.43Å
427	D	93.1	Very high	88.1	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-69	-44.9	-178.9	-86.3	-2.1	0	0	0	113.6	I393 Q396 Y418 K423 F424 L425 T429 S430 L431 K454 Y456	I393-D427 HydrophobicContact CD1-CB 3.99Å; I393-D427 HydrophobicContact CG1-CB 4.01Å; Q396-D427 PolarHBondContact NE2-OD2 3.11Å; Y418-D427 PolarHBondContact OH-OD2 3.36Å; K423-D427 WeakPolarHBondContact O-CB 3.42Å; K423-D427 PolarHBondContact O-N 2.87Å; F424-D427 PolarHBondContact O-N 2.77Å; L425-D427 VanDerWaalsContact C-N 3.28Å; L425-D427 PolarHBondContact O-N 3.22Å; D427-T429 VanDerWaalsContact C-N 3.29Å; D427-T429 PolarHBondContact O-N 2.84Å; D427-S430 PolarHBondContact O-N 2.86Å; D427-S430 PolarHBondContact O-OG 3.07Å; D427-L431 PolarHBondContact O-N 2.84Å; D427-K454 WeakPolarHBondContact OD1-CE 3.17Å; D427-K454 WeakPolarHBondContact OD1-CG 3.26Å; D427-K454 IonicContact OD1-NZ 3.17Å; D427-K454 PolarHBondContact OD1-NZ 3.45Å; D427-K454 IonicContact OD2-NZ 3.29Å; D427-K454 PolarHBondContact OD2-NZ 3.18Å; D427-Y456 WeakPolarHBondContact OD1-CE1 3.14Å; D427-Y456 PolarHBondContact OD1-OH 3.43Å; D427-Y456 PolarHBondContact OD2-OH 3.3Å; D427-Y456 VanDerWaalsContact OD2-OH 3.05Å
428	I	91.5	Very high	87.6	Confident	78 Å²	78	58 Å²	58	40%	0.4	29%	0.293	S	S	.	.	H	α-helix	trans	-58.7	-45.5	171.5	-67.5	163.1	0	0	0	110.2	F424 S430 L431 L432	F424-I428 HydrophobicContact CD1-CD1 3.89Å; F424-I428 HydrophobicContact CD2-CD1 4.24Å; F424-I428 HydrophobicContact CD2-CG1 4.39Å; F424-I428 HydrophobicContact CE1-CD1 3.33Å; F424-I428 HydrophobicContact CE1-CG1 4.41Å; F424-I428 HydrophobicContact CE2-CD1 3.74Å; F424-I428 HydrophobicContact CE2-CG1 3.97Å; F424-I428 HydrophobicContact CG-CD1 4.32Å; F424-I428 HydrophobicContact CZ-CD1 3.25Å; F424-I428 HydrophobicContact CZ-CG1 3.98Å; F424-I428 WeakPolarHBondContact O-CG1 3.41Å; F424-I428 PolarHBondContact O-N 3.42Å; I428-S430 VanDerWaalsContact C-N 3.27Å; I428-S430 PolarHBondContact O-N 2.8Å; I428-L431 CarbonylContact O-C 3.6Å; I428-L431 PolarHBondContact O-N 3.13Å; I428-L432 PolarHBondContact O-N 3.24Å
429	T	90.3	Very high	87	Confident	46 Å²	46	66 Å²	66	28%	0.282	33%	0.328	S	S	.	.	H	α-helix	trans	-65.5	-34.7	-177.1	-53.4	0	0	0	0	110.8	L425 L426 D427 L431 L432 P450 L453	L425-T429 WeakPolarHBondContact O-CB 3.3Å; L425-T429 PolarHBondContact O-N 2.98Å; L425-T429 PolarHBondContact O-OG1 2.95Å; L426-T429 PolarHBondContact O-N 2.82Å; D427-T429 VanDerWaalsContact C-N 3.29Å; D427-T429 PolarHBondContact O-N 2.84Å; T429-L431 VanDerWaalsContact C-N 3.31Å; T429-L431 PolarHBondContact O-N 3.06Å; T429-L432 HydrophobicContact CG2-CD1 3.85Å; T429-L432 WeakPolarHBondContact O-CG 3.42Å; T429-L432 PolarHBondContact O-N 3.15Å; T429-P450 VanDerWaalsContact O-CB 3.29Å; T429-P450 WeakPolarHBondContact O-CB 3.16Å; T429-L453 HydrophobicContact CG2-CD1 3.36Å
430	S	90.5	Very high	86.5	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-64.8	-32.3	176.8	78.1	0	0	0	0	113.9	L426 D427 I428 P450 R451	L426-S430 WeakPolarHBondContact O-CB 3.37Å; L426-S430 PolarHBondContact O-N 3.43Å; D427-S430 PolarHBondContact O-N 2.86Å; D427-S430 PolarHBondContact O-OG 3.07Å; I428-S430 VanDerWaalsContact C-N 3.27Å; I428-S430 PolarHBondContact O-N 2.8Å; S430-P450 WeakPolarHBondContact CA-O 3.41Å; S430-R451 WeakPolarHBondContact O-CD 3.3Å
431	L	89.4	Confident	85.9	Confident	34 Å²	34	67.4 Å²	67.4	18%	0.178	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	13.9	-179.4	-79.6	171.5	0	0	0	113.6	D386 Y389 L390 I393 D427 I428 T429	D386-L431 HydrophobicContact CB-CD2 4.18Å; Y389-L431 HydrophobicContact CD2-CD2 4.48Å; L390-L431 HydrophobicContact CD2-CD1 3.78Å; L390-L431 HydrophobicContact CG-CD1 4.01Å; L390-L431 HydrophobicContact CG-CD2 4.47Å; I393-L431 HydrophobicContact CD1-CD1 3.6Å; D427-L431 PolarHBondContact O-N 2.84Å; I428-L431 CarbonylContact O-C 3.6Å; I428-L431 PolarHBondContact O-N 3.13Å; T429-L431 VanDerWaalsContact C-N 3.31Å; T429-L431 PolarHBondContact O-N 3.06Å
432	L	85.7	Confident	85.3	Confident	66 Å²	66	68.3 Å²	68.3	35%	0.346	35%	0.351	S	S	.	.			trans	-54.8	132.8	175.5	-79.8	169.8	0	0	0	110.4	I428 T429 L434 R451	I428-L432 PolarHBondContact O-N 3.24Å; T429-L432 HydrophobicContact CG2-CD1 3.85Å; T429-L432 WeakPolarHBondContact O-CG 3.42Å; T429-L432 PolarHBondContact O-N 3.15Å; L432-L434 HydrophobicContact CB-CD2 4.49Å; L432-L434 HydrophobicContact CB-CG 4.13Å; L432-L434 PolarHBondContact O-N 3.27Å; L432-R451 PolarHBondContact O-NH1 3.25Å
433	P	80.7	Confident	84.6	Confident	80 Å²	80	68.1 Å²	68.1	52%	0.519	35%	0.354	S	S	.	.			trans	-78.3	42.9	-174.8	34.3	-38	0	0	0	112.3	D435 L436	P433-D435 PolarHBondContact O-N 3.37Å; P433-L436 HydrophobicContact CB-CD1 3.87Å; P433-L436 HydrophobicContact CB-CG 4.08Å; P433-L436 WeakPolarHBondContact O-CB 3.33Å; P433-L436 WeakPolarHBondContact O-CG 3.34Å; P433-L436 PolarHBondContact O-N 3.34Å
434	L	82.1	Confident	84.2	Confident	45 Å²	45	69.9 Å²	69.9	24%	0.236	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-59.9	-22.6	174.5	-58.4	-170.4	0	0	0	112.2	L432 L436 L437 F449 P450	L432-L434 HydrophobicContact CB-CD2 4.49Å; L432-L434 HydrophobicContact CB-CG 4.13Å; L432-L434 PolarHBondContact O-N 3.27Å; L434-L436 PolarHBondContact O-N 3.48Å; L434-L437 HydrophobicContact CB-CD1 4.45Å; L434-L437 HydrophobicContact CD2-CD1 4.12Å; L434-L437 WeakPolarHBondContact O-CB 3.46Å; L434-L437 PolarHBondContact O-N 2.96Å; L434-F449 HydrophobicContact CD1-CE1 4.24Å; L434-P450 HydrophobicContact CD1-CG 3.61Å; L434-P450 HydrophobicContact CG-CG 4.49Å
435	D	78.9	Confident	83.9	Confident	24 Å²	24	68 Å²	68	13%	0.128	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-59.4	-26.7	171.4	-77.6	-4.1	0	0	0	113	P433 L437 Q438 R448 R451	P433-D435 PolarHBondContact O-N 3.37Å; D435-L437 PolarHBondContact O-N 2.92Å; D435-Q438 WeakPolarHBondContact O-CB 3.34Å; D435-Q438 VanDerWaalsContact O-CG 3.25Å; D435-Q438 WeakPolarHBondContact O-CG 3.39Å; D435-Q438 PolarHBondContact O-N 3.22Å; D435-Q438 PolarHBondContact OD1-NE2 3.27Å; D435-R448 WeakPolarHBondContact OD1-CG 3.49Å; D435-R448 IonicContact OD1-CZ 2.75Å; D435-R448 IonicContact OD1-NE 2.75Å; D435-R448 PolarHBondContact OD1-NE 3.13Å; D435-R448 IonicContact OD1-NH2 2.67Å; D435-R448 IonicContact OD2-CZ 3.8Å; D435-R448 IonicContact OD2-NE 2.72Å; D435-R448 PolarHBondContact OD2-NE 3.08Å; D435-R448 IonicContact OD2-NH2 3.86Å; D435-R448 PolarHBondContact OD2-NH2 2.9Å; D435-R451 IonicContact OD2-NH2 3.69Å
436	L	78.1	Confident	83.5	Confident	111 Å²	111	65.2 Å²	65.2	58%	0.581	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-66.2	-20.9	173.2	-59.5	-180	0	0	0	112.5	P433 L434 Q438 F439	P433-L436 HydrophobicContact CB-CD1 3.87Å; P433-L436 HydrophobicContact CB-CG 4.08Å; P433-L436 WeakPolarHBondContact O-CB 3.33Å; P433-L436 WeakPolarHBondContact O-CG 3.34Å; P433-L436 PolarHBondContact O-N 3.34Å; L434-L436 PolarHBondContact O-N 3.48Å; L436-Q438 PolarHBondContact O-N 2.98Å; L436-F439 HydrophobicContact CD2-CD2 4.4Å; L436-F439 HydrophobicContact CD2-CE2 3.9Å; L436-F439 WeakPolarHBondContact O-CD2 3.45Å; L436-F439 PolarHBondContact O-N 2.95Å
437	L	81.6	Confident	83.2	Confident	86 Å²	86	64.8 Å²	64.8	45%	0.45	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-70	-19	173.6	-58.8	170.5	0	0	0	112	L434 D435 F439 K440 V441 L447	L434-L437 HydrophobicContact CB-CD1 4.45Å; L434-L437 HydrophobicContact CD2-CD1 4.12Å; L434-L437 WeakPolarHBondContact O-CB 3.46Å; L434-L437 PolarHBondContact O-N 2.96Å; D435-L437 PolarHBondContact O-N 2.92Å; L437-F439 PolarHBondContact O-N 3.37Å; L437-K440 PolarHBondContact O-N 2.85Å; L437-V441 PolarHBondContact O-N 3.41Å; L437-L447 HydrophobicContact CB-CD1 4.33Å
438	Q	78.5	Confident	83	Confident	34 Å²	34	65.2 Å²	65.2	16%	0.159	34%	0.339	C	S	.	.	H	α-helix	trans	-60.9	-28.3	175.7	-61.3	177.5	27.5	0	0	111.9	D435 L436 K440 G442 L447	D435-Q438 WeakPolarHBondContact O-CB 3.34Å; D435-Q438 VanDerWaalsContact O-CG 3.25Å; D435-Q438 WeakPolarHBondContact O-CG 3.39Å; D435-Q438 PolarHBondContact O-N 3.22Å; D435-Q438 PolarHBondContact OD1-NE2 3.27Å; L436-Q438 PolarHBondContact O-N 2.98Å; Q438-K440 PolarHBondContact O-N 2.74Å; Q438-G442 WeakPolarHBondContact CA-O 3.06Å; Q438-G442 CarbonylContact O-C 3.35Å; Q438-G442 VanDerWaalsContact O-CA 3.26Å; Q438-G442 WeakPolarHBondContact O-CA 3.4Å; Q438-G442 PolarHBondContact O-N 3.12Å; Q438-L447 HydrophobicContact CG-CD1 3.66Å
439	F	76.4	Confident	82.7	Confident	183 Å²	183	67.2 Å²	67.2	80%	0.803	35%	0.345	S	S	*	.	H	α-helix	trans	-63.8	-23.6	174.1	-68	-63.3	0	0	0	113.8	L436 L437	L436-F439 HydrophobicContact CD2-CD2 4.4Å; L436-F439 HydrophobicContact CD2-CE2 3.9Å; L436-F439 WeakPolarHBondContact O-CD2 3.45Å; L436-F439 PolarHBondContact O-N 2.95Å; L437-F439 PolarHBondContact O-N 3.37Å
440	K	80.9	Confident	82.8	Confident	196 Å²	196	65.2 Å²	65.2	85%	0.852	33%	0.334	S	S	*	.	H	α-helix	trans	-108.7	-34.4	-178.4	-169.2	177	-177.9	-179.5	0	113.6	L437 Q438	L437-K440 PolarHBondContact O-N 2.85Å; Q438-K440 PolarHBondContact O-N 2.74Å
441	V	78.1	Confident	82.8	Confident	98 Å²	98	65.4 Å²	65.4	59%	0.594	33%	0.334	S	S	*	.	H	α-helix	trans	-96	-10.6	-175.9	-174.9	0	0	0	0	112.1	L437 Q444	L437-V441 PolarHBondContact O-N 3.41Å; V441-Q444 HydrophobicContact CG1-CG 4.34Å
442	G	77.3	Confident	82.9	Confident	33 Å²	33	66.3 Å²	66.3	34%	0.34	34%	0.337	S	S	.	.			trans	86.2	174.4	-169.1	0	0	0	0	0	112.3	Q438 Q444	Q438-G442 WeakPolarHBondContact CA-O 3.06Å; Q438-G442 CarbonylContact O-C 3.35Å; Q438-G442 VanDerWaalsContact O-CA 3.26Å; Q438-G442 WeakPolarHBondContact O-CA 3.4Å; Q438-G442 PolarHBondContact O-N 3.12Å; G442-Q444 PolarHBondContact O-N 2.99Å
443	I	76.4	Confident	83.2	Confident	69 Å²	69	66.3 Å²	66.3	35%	0.354	34%	0.337	S	S	.	.			trans	-73.3	97.5	-173.9	-55.1	165.2	0	0	0	109.4	Q371 P445	Q371-I443 HydrophobicContact CG-CG2 3.92Å; I443-P445 WeakPolarHBondContact O-CD 3.21Å
444	Q	83.3	Confident	83.7	Confident	77 Å²	77	62.6 Å²	62.6	36%	0.36	31%	0.312	S	S	.	.			trans	-115.6	97	177.1	-65.4	-62.8	-25.3	0	0	110.1	V441 G442 M446 L447	V441-Q444 HydrophobicContact CG1-CG 4.34Å; G442-Q444 PolarHBondContact O-N 2.99Å; Q444-M446 PolarHBondContact O-N 3.32Å; Q444-L447 HydrophobicContact CB-CD1 4.15Å; Q444-L447 HydrophobicContact CB-CG 4.32Å; Q444-L447 PolarHBondContact O-N 2.87Å; Q444-L447 VanDerWaalsContact O-N 3.09Å
445	P	84.4	Confident	84.1	Confident	5 Å²	5	66 Å²	66	3%	0.032	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-51.8	-29.7	179.7	-30	35.5	0	0	0	115	P361 R364 Q371 I443 L447 R448	P361-P445 HydrophobicContact CB-CB 4.43Å; R364-P445 HydrophobicContact CB-CB 3.9Å; R364-P445 HydrophobicContact CB-CG 3.75Å; Q371-P445 HydrophobicContact CG-CG 4.42Å; I443-P445 WeakPolarHBondContact O-CD 3.21Å; P445-L447 PolarHBondContact O-N 3.49Å; P445-R448 PolarHBondContact O-N 3.36Å
446	M	83.8	Confident	84.8	Confident	60 Å²	60	66.1 Å²	66.1	30%	0.296	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-60	-20.8	177.5	-77	-66.5	109.2	0	0	115.1	P361 I362 Q365 Q444 R448 F449	P361-M446 VanDerWaalsContact C-CE 3.48Å; P361-M446 HydrophobicContact CB-CE 4.12Å; P361-M446 WeakPolarHBondContact O-CE 3.18Å; I362-M446 VanDerWaalsContact CA-CE 3.5Å; I362-M446 HydrophobicContact CB-CE 4.08Å; I362-M446 HydrophobicContact CD1-CE 3.77Å; I362-M446 HydrophobicContact CD1-SD 4.31Å; Q365-M446 HydrophobicContact CB-CE 3.79Å; Q365-M446 HydrophobicContact CB-CG 4.03Å; Q365-M446 HydrophobicContact CG-CE 4.33Å; Q365-M446 HydrophobicContact CG-CG 3.58Å; Q365-M446 VanDerWaalsContact OE1-CG 3.31Å; Q444-M446 PolarHBondContact O-N 3.32Å; M446-R448 PolarHBondContact O-N 3.01Å; M446-F449 WeakPolarHBondContact O-CD1 3.43Å; M446-F449 PolarHBondContact O-N 3.27Å; M446-F449 VanDerWaalsContact O-N 3.09Å
447	L	85.9	Confident	85.5	Confident	36 Å²	36	61 Å²	61	19%	0.188	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-61.1	-14.5	177.3	-72.3	168.3	0	0	0	113.5	L437 Q438 Q444 P445 F449 P450	L437-L447 HydrophobicContact CB-CD1 4.33Å; Q438-L447 HydrophobicContact CG-CD1 3.66Å; Q444-L447 HydrophobicContact CB-CD1 4.15Å; Q444-L447 HydrophobicContact CB-CG 4.32Å; Q444-L447 PolarHBondContact O-N 2.87Å; Q444-L447 VanDerWaalsContact O-N 3.09Å; P445-L447 PolarHBondContact O-N 3.49Å; L447-F449 VanDerWaalsContact C-N 3.33Å; L447-F449 PolarHBondContact O-N 3.31Å; L447-P450 VanDerWaalsContact O-CD 3.26Å; L447-P450 WeakPolarHBondContact O-CD 3.39Å
448	R	88.2	Confident	86	Confident	8 Å²	8	57.1 Å²	57.1	3%	0.03	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-81.3	1.5	174.7	-66	-157.1	174.2	98.5	3.9	115.9	D382 D435 P445 M446 P450 R451	D382-R448 IonicContact OD1-CZ 3Å; D382-R448 IonicContact OD1-NH1 3.99Å; D382-R448 PolarHBondContact OD1-NH1 3.46Å; D382-R448 IonicContact OD2-CZ 2.85Å; D382-R448 VanDerWaalsContact OD2-CZ 3.27Å; D382-R448 IonicContact OD2-NH1 3.27Å; D382-R448 PolarHBondContact OD2-NH1 2.94Å; D382-R448 IonicContact OD2-NH2 3.52Å; D435-R448 WeakPolarHBondContact OD1-CG 3.49Å; D435-R448 IonicContact OD1-CZ 2.75Å; D435-R448 IonicContact OD1-NE 2.75Å; D435-R448 PolarHBondContact OD1-NE 3.13Å; D435-R448 IonicContact OD1-NH2 2.67Å; D435-R448 IonicContact OD2-CZ 3.8Å; D435-R448 IonicContact OD2-NE 2.72Å; D435-R448 PolarHBondContact OD2-NE 3.08Å; D435-R448 IonicContact OD2-NH2 3.86Å; D435-R448 PolarHBondContact OD2-NH2 2.9Å; P445-R448 PolarHBondContact O-N 3.36Å; M446-R448 PolarHBondContact O-N 3.01Å; R448-P450 WeakPolarHBondContact O-CD 3.46Å; R448-R451 WeakPolarHBondContact O-CB 3.39Å; R448-R451 WeakPolarHBondContact O-CD 3.27Å; R448-R451 PolarHBondContact O-N 3.31Å
449	F	87.2	Confident	86.7	Confident	120 Å²	120	60.4 Å²	60.4	53%	0.526	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-50.1	-30.1	177.3	82.9	-92.2	0	0	0	115.9	L434 M446 L447 R451 F452	L434-F449 HydrophobicContact CD1-CE1 4.24Å; M446-F449 WeakPolarHBondContact O-CD1 3.43Å; M446-F449 PolarHBondContact O-N 3.27Å; M446-F449 VanDerWaalsContact O-N 3.09Å; L447-F449 VanDerWaalsContact C-N 3.33Å; L447-F449 PolarHBondContact O-N 3.31Å; F449-R451 PolarHBondContact O-N 2.89Å; F449-F452 HydrophobicContact CB-CD2 4.26Å; F449-F452 HydrophobicContact CB-CE2 3.92Å; F449-F452 HydrophobicContact CB-CZ 4.5Å; F449-F452 WeakPolarHBondContact O-CB 3.47Å; F449-F452 VanDerWaalsContact O-CD2 3.27Å; F449-F452 WeakPolarHBondContact O-CD2 3.41Å; F449-F452 VanDerWaalsContact O-CG 3.24Å; F449-F452 WeakPolarHBondContact O-CG 3.46Å; F449-F452 PolarHBondContact O-N 3.45Å; F449-F452 VanDerWaalsContact O-N 3.16Å
450	P	91.2	Very high	87.4	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.032	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-63.2	-24.8	178	-21.6	33.6	0	0	0	113.4	T429 S430 L434 L447 R448 F452 L453	T429-P450 VanDerWaalsContact O-CB 3.29Å; T429-P450 WeakPolarHBondContact O-CB 3.16Å; S430-P450 WeakPolarHBondContact CA-O 3.41Å; L434-P450 HydrophobicContact CD1-CG 3.61Å; L434-P450 HydrophobicContact CG-CG 4.49Å; L447-P450 VanDerWaalsContact O-CD 3.26Å; L447-P450 WeakPolarHBondContact O-CD 3.39Å; R448-P450 WeakPolarHBondContact O-CD 3.46Å; P450-F452 PolarHBondContact O-N 2.98Å; P450-F452 VanDerWaalsContact O-N 3.08Å; P450-L453 VanDerWaalsContact O-CB 3.29Å; P450-L453 WeakPolarHBondContact O-CB 3.42Å; P450-L453 VanDerWaalsContact O-CG 3.29Å; P450-L453 WeakPolarHBondContact O-CG 3.27Å; P450-L453 PolarHBondContact O-N 2.93Å
451	R	91.3	Very high	88	Confident	3 Å²	3	44.5 Å²	44.5	1%	0.011	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-58.7	-24.7	178	-80	71	178.2	159.4	-5.9	111.7	L354 N357 D386 Y389 S430 L432 D435 R448 F449 L453 K454	L354-R451 WeakPolarHBondContact CD1-O 3.48Å; N357-R451 HydrophobicContact CB-CB 4.32Å; D386-R451 IonicContact OD1-CZ 2.75Å; D386-R451 IonicContact OD1-NE 3.97Å; D386-R451 PolarHBondContact OD1-NE 3.12Å; D386-R451 IonicContact OD1-NH2 3.65Å; D386-R451 PolarHBondContact OD1-NH2 3.42Å; D386-R451 IonicContact OD2-CZ 3.21Å; D386-R451 IonicContact OD2-NE 3.99Å; D386-R451 IonicContact OD2-NH2 2.76Å; D386-R451 PolarHBondContact OD2-NH2 3.42Å; Y389-R451 HydrophobicContact CD2-CG 4.27Å; Y389-R451 HydrophobicContact CE2-CB 3.94Å; Y389-R451 HydrophobicContact CE2-CG 3.83Å; S430-R451 WeakPolarHBondContact O-CD 3.3Å; L432-R451 PolarHBondContact O-NH1 3.25Å; D435-R451 IonicContact OD2-NH2 3.69Å; R448-R451 WeakPolarHBondContact O-CB 3.39Å; R448-R451 WeakPolarHBondContact O-CD 3.27Å; R448-R451 PolarHBondContact O-N 3.31Å; F449-R451 PolarHBondContact O-N 2.89Å; R451-L453 PolarHBondContact O-N 3.35Å; R451-K454 PolarHBondContact O-N 3.13Å
452	F	90.7	Very high	88.6	Confident	53 Å²	53	42.4 Å²	42.4	23%	0.232	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-65.3	-21.2	177.2	-50.7	-19.9	0	0	0	113.2	N357 F449 P450 K454 W455 W490	N357-F452 WeakPolarHBondContact O-CE1 3.4Å; F449-F452 HydrophobicContact CB-CD2 4.26Å; F449-F452 HydrophobicContact CB-CE2 3.92Å; F449-F452 HydrophobicContact CB-CZ 4.5Å; F449-F452 WeakPolarHBondContact O-CB 3.47Å; F449-F452 VanDerWaalsContact O-CD2 3.27Å; F449-F452 WeakPolarHBondContact O-CD2 3.41Å; F449-F452 VanDerWaalsContact O-CG 3.24Å; F449-F452 WeakPolarHBondContact O-CG 3.46Å; F449-F452 PolarHBondContact O-N 3.45Å; F449-F452 VanDerWaalsContact O-N 3.16Å; P450-F452 PolarHBondContact O-N 2.98Å; P450-F452 VanDerWaalsContact O-N 3.08Å; F452-K454 PolarHBondContact O-N 3.11Å; F452-K454 VanDerWaalsContact O-N 3.14Å; F452-W455 WeakPolarHBondContact O-CB 3.34Å; F452-W455 PolarHBondContact O-N 3.34Å; F452-W490 AromaticContact CE2-CH2 3.74Å; F452-W490 HydrophobicContact CE2-CH2 3.74Å; F452-W490 HydrophobicContact CE2-CZ2 4.17Å; F452-W490 HydrophobicContact CZ-CH2 4.01Å; F452-W490 HydrophobicContact CZ-CZ2 4.1Å
453	L	91.4	Very high	89.3	Confident	67 Å²	67	44.1 Å²	44.1	35%	0.351	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-62	-21.4	179	-63.9	172.4	0	0	0	112.9	L426 T429 P450 R451 W455	L426-L453 HydrophobicContact CD2-CB 4.45Å; L426-L453 HydrophobicContact CD2-CD2 4.44Å; T429-L453 HydrophobicContact CG2-CD1 3.36Å; P450-L453 VanDerWaalsContact O-CB 3.29Å; P450-L453 WeakPolarHBondContact O-CB 3.42Å; P450-L453 VanDerWaalsContact O-CG 3.29Å; P450-L453 WeakPolarHBondContact O-CG 3.27Å; P450-L453 PolarHBondContact O-N 2.93Å; R451-L453 PolarHBondContact O-N 3.35Å; L453-W455 PolarHBondContact O-N 3.07Å; L453-W455 VanDerWaalsContact O-N 3.15Å
454	K	91.8	Very high	89.9	Confident	1 Å²	1	43.3 Å²	43.3	0%	0.004	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-71.6	7.2	169.9	-87.8	-174.8	179.7	-69.5	0	114.5	L354 Y389 D392 D427 R451 F452 Y456 R457	L354-K454 HydrophobicContact CD1-CB 4.23Å; Y389-K454 HydrophobicContact CD1-CD 3.65Å; Y389-K454 HydrophobicContact CD2-CD 3.65Å; Y389-K454 HydrophobicContact CE1-CD 3.75Å; Y389-K454 HydrophobicContact CE2-CD 3.74Å; Y389-K454 HydrophobicContact CG-CD 3.59Å; D392-K454 IonicContact OD2-NZ 2.72Å; D392-K454 PolarHBondContact OD2-NZ 3.12Å; D427-K454 WeakPolarHBondContact OD1-CE 3.17Å; D427-K454 WeakPolarHBondContact OD1-CG 3.26Å; D427-K454 IonicContact OD1-NZ 3.17Å; D427-K454 PolarHBondContact OD1-NZ 3.45Å; D427-K454 IonicContact OD2-NZ 3.29Å; D427-K454 PolarHBondContact OD2-NZ 3.18Å; R451-K454 PolarHBondContact O-N 3.13Å; F452-K454 PolarHBondContact O-N 3.11Å; F452-K454 VanDerWaalsContact O-N 3.14Å; K454-Y456 HydrophobicContact CG-CE1 4.36Å; K454-Y456 PolarHBondContact O-N 3.02Å; K454-R457 WeakPolarHBondContact O-CB 3.43Å; K454-R457 PolarHBondContact O-N 3.03Å
455	W	91.8	Very high	90.2	Very high	118 Å²	118	40.7 Å²	40.7	45%	0.447	18%	0.181	S	C	.	.	H	α-helix	trans	-48	-34.5	171	176.5	-100.1	0	0	0	113.8	L354 L358 F452 L453 R457 Y458 Y459	L354-W455 HydrophobicContact CD2-CE3 4.13Å; L358-W455 HydrophobicContact CD2-CZ3 4.3Å; F452-W455 WeakPolarHBondContact O-CB 3.34Å; F452-W455 PolarHBondContact O-N 3.34Å; L453-W455 PolarHBondContact O-N 3.07Å; L453-W455 VanDerWaalsContact O-N 3.15Å; W455-R457 PolarHBondContact O-N 2.77Å; W455-R457 VanDerWaalsContact O-N 3.15Å; W455-Y458 HydrophobicContact CD2-CD1 4.24Å; W455-Y458 AromaticContact CE3-CD1 3.81Å; W455-Y458 HydrophobicContact CE3-CD1 3.81Å; W455-Y458 HydrophobicContact CE3-CE1 4.46Å; W455-Y458 HydrophobicContact CE3-CG 4.42Å; W455-Y458 AromaticContact CH2-CD1 3.6Å; W455-Y458 HydrophobicContact CH2-CD1 3.6Å; W455-Y458 AromaticContact CH2-CE1 3.49Å; W455-Y458 HydrophobicContact CH2-CE1 3.49Å; W455-Y458 VanDerWaalsContact CH2-CE1 3.49Å; W455-Y458 HydrophobicContact CZ2-CD1 4.03Å; W455-Y458 HydrophobicContact CZ2-CE1 4.14Å; W455-Y458 AromaticContact CZ3-CD1 3.47Å; W455-Y458 HydrophobicContact CZ3-CD1 3.47Å; W455-Y458 VanDerWaalsContact CZ3-CD1 3.47Å; W455-Y458 AromaticContact CZ3-CE1 3.68Å; W455-Y458 HydrophobicContact CZ3-CE1 3.68Å; W455-Y458 HydrophobicContact CZ3-CG 4.31Å; W455-Y458 PolarHBondContact O-N 2.9Å; W455-Y459 PolarHBondContact O-N 3.31Å
456	Y	92.8	Very high	90.4	Very high	25 Å²	25	42 Å²	42	10%	0.098	19%	0.186	C	C	.	.	H	α-helix	trans	-57.9	-29.6	177.3	83.6	-88.8	0	0	0	112.9	Q396 K423 L426 D427 K454 E460	Q396-Y456 PolarHBondContact NE2-OH 3.44Å; Q396-Y456 PolarHBondContact OE1-OH 3.1Å; K423-Y456 HydrophobicContact CB-CE2 4.16Å; K423-Y456 HydrophobicContact CD-CD2 4.35Å; K423-Y456 HydrophobicContact CD-CE2 3.79Å; K423-Y456 HydrophobicContact CG-CD2 4.28Å; K423-Y456 HydrophobicContact CG-CE2 3.85Å; L426-Y456 HydrophobicContact CB-CD1 4.46Å; L426-Y456 HydrophobicContact CB-CE1 4.29Å; L426-Y456 HydrophobicContact CD1-CD1 3.89Å; L426-Y456 HydrophobicContact CD1-CE1 4.42Å; L426-Y456 HydrophobicContact CD1-CG 4.43Å; D427-Y456 WeakPolarHBondContact OD1-CE1 3.14Å; D427-Y456 PolarHBondContact OD1-OH 3.43Å; D427-Y456 PolarHBondContact OD2-OH 3.3Å; D427-Y456 VanDerWaalsContact OD2-OH 3.05Å; K454-Y456 HydrophobicContact CG-CE1 4.36Å; K454-Y456 PolarHBondContact O-N 3.02Å; Y456-E460 PolarHBondContact O-N 3.06Å
457	R	92.6	Very high	90.5	Very high	3 Å²	3	45.1 Å²	45.1	1%	0.011	20%	0.204	C	C	.	.	H	α-helix	trans	-72	-42.5	174.1	-69.6	-54.4	-141.5	152.4	33.1	112.8	Y343 L347 V350 D392 K454 W455 Y459 E460 W461	Y343-R457 PolarHBondContact OH-NH1 2.72Å; L347-R457 HydrophobicContact CD1-CB 4.33Å; V350-R457 HydrophobicContact CG1-CB 4.2Å; V350-R457 HydrophobicContact CG1-CG 4.43Å; D392-R457 IonicContact OD1-CZ 3.73Å; D392-R457 IonicContact OD1-NE 2.74Å; D392-R457 IonicContact OD1-NH2 2.88Å; D392-R457 PolarHBondContact OD1-NH2 3.42Å; D392-R457 IonicContact OD2-NE 2.9Å; D392-R457 PolarHBondContact OD2-NE 3.02Å; D392-R457 IonicContact OD2-NH2 3.1Å; K454-R457 WeakPolarHBondContact O-CB 3.43Å; K454-R457 PolarHBondContact O-N 3.03Å; W455-R457 PolarHBondContact O-N 2.77Å; W455-R457 VanDerWaalsContact O-N 3.15Å; R457-Y459 VanDerWaalsContact C-N 3.3Å; R457-Y459 PolarHBondContact O-N 2.73Å; R457-E460 IonicContact CZ-OE2 2.87Å; R457-E460 IonicContact NH1-OE1 3.91Å; R457-E460 IonicContact NH1-OE2 3.27Å; R457-E460 PolarHBondContact NH1-OE2 3.35Å; R457-E460 WeakPolarHBondContact O-CB 3.44Å; R457-E460 PolarHBondContact O-N 3.36Å; R457-W461 WeakPolarHBondContact O-CB 3.39Å; R457-W461 PolarHBondContact O-N 2.94Å
458	Y	92.8	Very high	90.5	Very high	6 Å²	6	48.9 Å²	48.9	2%	0.024	22%	0.216	C	C	.	.	H	α-helix	trans	-64.1	-36.2	174.1	171.6	-91.3	0	0	0	111.7	L354 L355 W455 W461 K462 N479	L354-Y458 VanDerWaalsContact CD2-CB 3.42Å; L354-Y458 HydrophobicContact CD2-CG 4.13Å; L355-Y458 HydrophobicContact CD1-CE2 4.42Å; L355-Y458 HydrophobicContact CD2-CE2 4.18Å; L355-Y458 HydrophobicContact CG-CE2 4.43Å; W455-Y458 HydrophobicContact CD2-CD1 4.24Å; W455-Y458 AromaticContact CE3-CD1 3.81Å; W455-Y458 HydrophobicContact CE3-CD1 3.81Å; W455-Y458 HydrophobicContact CE3-CE1 4.46Å; W455-Y458 HydrophobicContact CE3-CG 4.42Å; W455-Y458 AromaticContact CH2-CD1 3.6Å; W455-Y458 HydrophobicContact CH2-CD1 3.6Å; W455-Y458 AromaticContact CH2-CE1 3.49Å; W455-Y458 HydrophobicContact CH2-CE1 3.49Å; W455-Y458 VanDerWaalsContact CH2-CE1 3.49Å; W455-Y458 HydrophobicContact CZ2-CD1 4.03Å; W455-Y458 HydrophobicContact CZ2-CE1 4.14Å; W455-Y458 AromaticContact CZ3-CD1 3.47Å; W455-Y458 HydrophobicContact CZ3-CD1 3.47Å; W455-Y458 VanDerWaalsContact CZ3-CD1 3.47Å; W455-Y458 AromaticContact CZ3-CE1 3.68Å; W455-Y458 HydrophobicContact CZ3-CE1 3.68Å; W455-Y458 HydrophobicContact CZ3-CG 4.31Å; W455-Y458 PolarHBondContact O-N 2.9Å; Y458-W461 AromaticContact CD2-CE3 3.8Å; Y458-W461 HydrophobicContact CD2-CE3 3.8Å; Y458-W461 HydrophobicContact CD2-CZ3 4.1Å; Y458-W461 AromaticContact CE2-CE3 3.66Å; Y458-W461 HydrophobicContact CE2-CE3 3.66Å; Y458-W461 AromaticContact CE2-CZ3 3.5Å; Y458-W461 HydrophobicContact CE2-CZ3 3.5Å; Y458-W461 WeakPolarHBondContact O-CB 3.39Å; Y458-W461 PolarHBondContact O-N 3.28Å; Y458-K462 HydrophobicContact CE1-CD 4.39Å; Y458-K462 VanDerWaalsContact O-CB 3.3Å; Y458-K462 WeakPolarHBondContact O-CB 3.22Å; Y458-K462 PolarHBondContact O-N 2.98Å; Y458-N479 PolarHBondContact OH-OD1 2.98Å
459	Y	92.6	Very high	90.2	Very high	102 Å²	102	50.6 Å²	50.6	40%	0.4	23%	0.227	S	C	.	.	H	α-helix	trans	-64.3	-45	171.3	-175.2	-100.7	0	0	0	112	W455 R457 W461 K462 L463	W455-Y459 PolarHBondContact O-N 3.31Å; R457-Y459 VanDerWaalsContact C-N 3.3Å; R457-Y459 PolarHBondContact O-N 2.73Å; Y459-W461 PolarHBondContact O-N 2.91Å; Y459-K462 PolarHBondContact O-N 3.18Å; Y459-L463 PolarHBondContact O-N 3.46Å; Y459-L463 VanDerWaalsContact O-N 3.13Å
460	E	91.3	Very high	90.1	Very high	16 Å²	16	51.3 Å²	51.3	8%	0.075	24%	0.235	C	C	.	.	H	α-helix	trans	-57.3	-35.5	172.5	-114.2	-162.4	103	0	0	113	L347 K423 Y456 R457 R464	L347-E460 HydrophobicContact CD2-CB 4.38Å; K423-E460 IonicContact NZ-OE2 3.38Å; K423-E460 PolarHBondContact NZ-OE2 3.28Å; Y456-E460 PolarHBondContact O-N 3.06Å; R457-E460 IonicContact CZ-OE2 2.87Å; R457-E460 IonicContact NH1-OE1 3.91Å; R457-E460 IonicContact NH1-OE2 3.27Å; R457-E460 PolarHBondContact NH1-OE2 3.35Å; R457-E460 WeakPolarHBondContact O-CB 3.44Å; R457-E460 PolarHBondContact O-N 3.36Å; E460-R464 WeakPolarHBondContact O-CG 3.23Å; E460-R464 PolarHBondContact O-N 3.46Å; E460-R464 PolarHBondContact O-NH1 2.89Å; E460-R464 VanDerWaalsContact O-NH1 3.11Å; E460-R464 IonicContact OE1-CZ 3.51Å; E460-R464 IonicContact OE1-NH1 3.45Å; E460-R464 PolarHBondContact OE1-NH1 3.49Å; E460-R464 IonicContact OE1-NH2 2.65Å; E460-R464 PolarHBondContact OE1-NH2 3.34Å
461	W	93.5	Very high	89.6	Confident	30 Å²	30	55.6 Å²	55.6	11%	0.114	25%	0.254	C	S	.	.	H	α-helix	trans	-71.1	-56.3	176.3	176.1	74.7	0	0	0	111.4	L347 T348 S351 R457 Y458 Y459 L463 R464 V465 W475	L347-W461 HydrophobicContact CD2-CB 4.02Å; L347-W461 HydrophobicContact CG-CB 3.84Å; L347-W461 HydrophobicContact CG-CG 4.42Å; T348-W461 HydrophobicContact CG2-CZ2 4.24Å; T348-W461 PolarHBondContact OG1-NE1 3.06Å; S351-W461 WeakPolarHBondContact OG-CB 3.36Å; R457-W461 WeakPolarHBondContact O-CB 3.39Å; R457-W461 PolarHBondContact O-N 2.94Å; Y458-W461 AromaticContact CD2-CE3 3.8Å; Y458-W461 HydrophobicContact CD2-CE3 3.8Å; Y458-W461 HydrophobicContact CD2-CZ3 4.1Å; Y458-W461 AromaticContact CE2-CE3 3.66Å; Y458-W461 HydrophobicContact CE2-CE3 3.66Å; Y458-W461 AromaticContact CE2-CZ3 3.5Å; Y458-W461 HydrophobicContact CE2-CZ3 3.5Å; Y458-W461 WeakPolarHBondContact O-CB 3.39Å; Y458-W461 PolarHBondContact O-N 3.28Å; Y459-W461 PolarHBondContact O-N 2.91Å; W461-L463 VanDerWaalsContact C-N 3.26Å; W461-L463 PolarHBondContact O-N 3.49Å; W461-R464 PolarHBondContact O-N 3.45Å; W461-V465 HydrophobicContact CD2-CG2 4.22Å; W461-V465 HydrophobicContact CG-CG2 4.37Å; W461-V465 HydrophobicContact CZ2-CG2 4.21Å; W461-V465 WeakPolarHBondContact O-CG2 3.42Å; W461-V465 PolarHBondContact O-N 3.4Å; W461-W475 AromaticContact CH2-CH2 3.58Å; W461-W475 HydrophobicContact CH2-CH2 3.58Å; W461-W475 AromaticContact CH2-CZ2 3.7Å; W461-W475 HydrophobicContact CH2-CZ2 3.7Å; W461-W475 HydrophobicContact CZ2-CH2 4.01Å; W461-W475 HydrophobicContact CZ2-CZ2 4.22Å; W461-W475 HydrophobicContact CZ3-CH2 4.26Å; W461-W475 AromaticContact CZ3-CZ2 3.93Å; W461-W475 HydrophobicContact CZ3-CZ2 3.93Å
462	K	91.4	Very high	89.3	Confident	54 Å²	54	57.6 Å²	57.6	24%	0.235	27%	0.267	C	S	.	.	H	α-helix	trans	-51.5	-46.2	-177.6	178	-177	172.8	-176.3	0	111.4	Y458 Y459 E466 W475	Y458-K462 HydrophobicContact CE1-CD 4.39Å; Y458-K462 VanDerWaalsContact O-CB 3.3Å; Y458-K462 WeakPolarHBondContact O-CB 3.22Å; Y458-K462 PolarHBondContact O-N 2.98Å; Y459-K462 PolarHBondContact O-N 3.18Å; K462-E466 WeakPolarHBondContact O-CB 3.3Å; K462-E466 PolarHBondContact O-N 3.38Å; K462-W475 PolarHBondContact O-NE1 2.84Å
463	L	90	Very high	88.9	Confident	68 Å²	68	57 Å²	57	36%	0.356	27%	0.266	S	S	.	.	H	α-helix	trans	-67.7	-39.7	178.6	-176.7	63.8	0	0	0	112.7	Y459 W461 N467	Y459-L463 PolarHBondContact O-N 3.46Å; Y459-L463 VanDerWaalsContact O-N 3.13Å; W461-L463 VanDerWaalsContact C-N 3.26Å; W461-L463 PolarHBondContact O-N 3.49Å; L463-N467 WeakPolarHBondContact O-CB 3.42Å; L463-N467 VanDerWaalsContact O-CG 3.23Å; L463-N467 PolarHBondContact O-N 3.25Å; L463-N467 PolarHBondContact O-ND2 3.37Å
464	R	90	Very high	88.6	Confident	52 Å²	52	58.1 Å²	58.1	20%	0.196	27%	0.272	C	S	.	.	H	α-helix	trans	-68.8	-37.7	176.4	-80.4	-169	-173.6	81.7	-5.7	112.7	P338 L344 E460 W461 R468	P338-R464 PolarHBondContact O-NE 3.05Å; L344-R464 HydrophobicContact CD1-CB 3.73Å; E460-R464 WeakPolarHBondContact O-CG 3.23Å; E460-R464 PolarHBondContact O-N 3.46Å; E460-R464 PolarHBondContact O-NH1 2.89Å; E460-R464 VanDerWaalsContact O-NH1 3.11Å; E460-R464 IonicContact OE1-CZ 3.51Å; E460-R464 IonicContact OE1-NH1 3.45Å; E460-R464 PolarHBondContact OE1-NH1 3.49Å; E460-R464 IonicContact OE1-NH2 2.65Å; E460-R464 PolarHBondContact OE1-NH2 3.34Å; W461-R464 PolarHBondContact O-N 3.45Å; R464-R468 WeakPolarHBondContact O-CG 3.13Å; R464-R468 PolarHBondContact O-N 3.45Å
465	V	90.1	Very high	88.4	Confident	23 Å²	23	60.5 Å²	60.5	14%	0.139	28%	0.281	C	S	.	.	H	α-helix	trans	-67	-47.3	174.5	179.7	0	0	0	0	109.6	L344 W461 N467 R468 T469 W475	L344-V465 HydrophobicContact CD1-CG2 4.49Å; W461-V465 HydrophobicContact CD2-CG2 4.22Å; W461-V465 HydrophobicContact CG-CG2 4.37Å; W461-V465 HydrophobicContact CZ2-CG2 4.21Å; W461-V465 WeakPolarHBondContact O-CG2 3.42Å; W461-V465 PolarHBondContact O-N 3.4Å; V465-N467 VanDerWaalsContact C-N 3.3Å; V465-N467 PolarHBondContact O-N 3.3Å; V465-R468 CarbonylContact O-C 3.52Å; V465-R468 PolarHBondContact O-N 3.06Å; V465-T469 HydrophobicContact CG1-CG2 3.87Å; V465-T469 WeakPolarHBondContact O-CG2 3.3Å; V465-T469 PolarHBondContact O-N 3.48Å; V465-T469 PolarHBondContact O-OG1 2.7Å; V465-W475 HydrophobicContact CB-CH2 4.37Å; V465-W475 HydrophobicContact CB-CZ2 3.7Å; V465-W475 HydrophobicContact CG1-CD2 3.95Å; V465-W475 HydrophobicContact CG1-CE3 4.17Å; V465-W475 HydrophobicContact CG1-CH2 3.66Å; V465-W475 HydrophobicContact CG1-CZ2 3.38Å; V465-W475 HydrophobicContact CG1-CZ3 4.03Å; V465-W475 HydrophobicContact CG2-CZ2 4.31Å
466	E	88.4	Confident	88.1	Confident	32 Å²	32	59.9 Å²	59.9	15%	0.15	28%	0.278	C	S	.	.	H	α-helix	trans	-54.1	-45	176.8	-169.9	174.3	156.8	0	0	112.3	K462 R468 T469 P472 R476	K462-E466 WeakPolarHBondContact O-CB 3.3Å; K462-E466 PolarHBondContact O-N 3.38Å; E466-R468 VanDerWaalsContact C-N 3.28Å; E466-R468 PolarHBondContact O-N 3.39Å; E466-T469 PolarHBondContact O-N 2.74Å; E466-T469 PolarHBondContact O-OG1 3.04Å; E466-P472 HydrophobicContact CG-CB 4.06Å; E466-R476 IonicContact OE1-CZ 3.81Å; E466-R476 IonicContact OE1-NE 3.03Å; E466-R476 PolarHBondContact OE1-NE 3.29Å; E466-R476 IonicContact OE1-NH2 2.63Å; E466-R476 PolarHBondContact OE1-NH2 3Å
467	N	85.7	Confident	87.8	Confident	126 Å²	126	61 Å²	61	67%	0.674	29%	0.288	S	S	*	.	H	α-helix	trans	-70.6	-16.4	178	-70.7	-20.3	0	0	0	114.5	L463 V465	L463-N467 WeakPolarHBondContact O-CB 3.42Å; L463-N467 VanDerWaalsContact O-CG 3.23Å; L463-N467 PolarHBondContact O-N 3.25Å; L463-N467 PolarHBondContact O-ND2 3.37Å; V465-N467 VanDerWaalsContact C-N 3.3Å; V465-N467 PolarHBondContact O-N 3.3Å
468	R	85.1	Confident	87.6	Confident	115 Å²	115	65.6 Å²	65.6	43%	0.434	31%	0.312	S	S	.	.	H	α-helix	trans	-100	-22.3	175.5	-74	-173.4	-179.9	-163.2	-0.6	113.3	N339 R464 V465 E466	N339-R468 PolarHBondContact O-NH2 3.34Å; R464-R468 WeakPolarHBondContact O-CG 3.13Å; R464-R468 PolarHBondContact O-N 3.45Å; V465-R468 CarbonylContact O-C 3.52Å; V465-R468 PolarHBondContact O-N 3.06Å; E466-R468 VanDerWaalsContact C-N 3.28Å; E466-R468 PolarHBondContact O-N 3.39Å
469	T	83.5	Confident	87.4	Confident	43 Å²	43	65.8 Å²	65.8	26%	0.264	31%	0.313	S	S	.	.			trans	-69.9	132.8	178.7	50.7	0	0	0	0	111.4	V465 E466 F471	V465-T469 HydrophobicContact CG1-CG2 3.87Å; V465-T469 WeakPolarHBondContact O-CG2 3.3Å; V465-T469 PolarHBondContact O-N 3.48Å; V465-T469 PolarHBondContact O-OG1 2.7Å; E466-T469 PolarHBondContact O-N 2.74Å; E466-T469 PolarHBondContact O-OG1 3.04Å; T469-F471 PolarHBondContact O-N 2.98Å
470	I	84.7	Confident	87.2	Confident	136 Å²	136	62.6 Å²	62.6	70%	0.697	30%	0.303	S	S	*	.	S	Bend	trans	-62.4	-25.5	170.8	-58.5	168	0	0	0	110.8	P472	I470-P472 VanDerWaalsContact C-CD 3.47Å; I470-P472 VanDerWaalsContact O-CD 3.29Å; I470-P472 WeakPolarHBondContact O-CD 3.46Å
471	F	81.2	Confident	87.1	Confident	94 Å²	94	65.5 Å²	65.5	41%	0.412	32%	0.318	S	S	.	.			trans	-120.4	66.7	-175.5	-53.1	-67	0	0	0	112.9	T469 N473 I474 W475 L880	T469-F471 PolarHBondContact O-N 2.98Å; F471-N473 PolarHBondContact O-N 3.49Å; F471-N473 VanDerWaalsContact O-N 3.15Å; F471-I474 HydrophobicContact CB-CB 4.13Å; F471-I474 HydrophobicContact CB-CD1 3.89Å; F471-I474 HydrophobicContact CB-CG1 4.09Å; F471-I474 HydrophobicContact CG-CD1 4.2Å; F471-I474 PolarHBondContact O-N 3.37Å; F471-W475 PolarHBondContact O-N 3.29Å; F471-L880 HydrophobicContact CE2-CD1 3.93Å; F471-L880 HydrophobicContact CE2-CD2 4.12Å; F471-L880 HydrophobicContact CE2-CG 4.29Å; F471-L880 HydrophobicContact CZ-CD1 3.92Å; F471-L880 HydrophobicContact CZ-CD2 4.06Å; F471-L880 HydrophobicContact CZ-CG 4.49Å
472	P	83.4	Confident	86.9	Confident	46 Å²	46	66.7 Å²	66.7	30%	0.299	33%	0.325	S	S	.	.	H	α-helix	trans	-59.6	-31.6	-175.7	24.5	-34.7	0	0	0	112.8	E466 I470 W475 R476	E466-P472 HydrophobicContact CG-CB 4.06Å; I470-P472 VanDerWaalsContact C-CD 3.47Å; I470-P472 VanDerWaalsContact O-CD 3.29Å; I470-P472 WeakPolarHBondContact O-CD 3.46Å; P472-W475 PolarHBondContact O-N 3.49Å; P472-R476 VanDerWaalsContact O-CG 3.3Å; P472-R476 WeakPolarHBondContact O-CG 3.34Å; P472-R476 PolarHBondContact O-N 3.19Å
473	N	83	Confident	86.9	Confident	40 Å²	40	67.8 Å²	67.8	21%	0.214	33%	0.333	C	S	.	.	H	α-helix	trans	-65.7	-36.9	176.4	-73.7	-21.1	0	0	0	113.2	F471 R476 V477 I587	F471-N473 PolarHBondContact O-N 3.49Å; F471-N473 VanDerWaalsContact O-N 3.15Å; N473-R476 PolarHBondContact O-N 2.97Å; N473-R476 PolarHBondContact OD1-NH1 3.27Å; N473-V477 WeakPolarHBondContact O-CG2 3.41Å; N473-V477 PolarHBondContact O-N 3.22Å; N473-I587 HydrophobicContact CB-CG2 3.89Å
474	I	84.6	Confident	86.8	Confident	91 Å²	91	66.8 Å²	66.8	47%	0.467	33%	0.327	S	S	.	.	H	α-helix	trans	-69.5	-43.4	175.7	-63.1	179.2	0	0	0	109.4	F471 R476 V477 L478	F471-I474 HydrophobicContact CB-CB 4.13Å; F471-I474 HydrophobicContact CB-CD1 3.89Å; F471-I474 HydrophobicContact CB-CG1 4.09Å; F471-I474 HydrophobicContact CG-CD1 4.2Å; F471-I474 PolarHBondContact O-N 3.37Å; I474-R476 VanDerWaalsContact C-N 3.3Å; I474-R476 PolarHBondContact O-N 3.35Å; I474-V477 PolarHBondContact O-N 3.48Å; I474-V477 VanDerWaalsContact O-N 3.16Å; I474-L478 HydrophobicContact CG2-CD1 4Å; I474-L478 HydrophobicContact CG2-CG 4.32Å; I474-L478 WeakPolarHBondContact O-CG 3.47Å; I474-L478 PolarHBondContact O-N 3.22Å
475	W	88	Confident	86.9	Confident	50 Å²	50	69.4 Å²	69.4	19%	0.189	34%	0.341	C	S	.	.	H	α-helix	trans	-57.8	-40.2	175.6	-173.1	-111.7	0	0	0	112.5	W461 K462 V465 F471 P472 N479	W461-W475 AromaticContact CH2-CH2 3.58Å; W461-W475 HydrophobicContact CH2-CH2 3.58Å; W461-W475 AromaticContact CH2-CZ2 3.7Å; W461-W475 HydrophobicContact CH2-CZ2 3.7Å; W461-W475 HydrophobicContact CZ2-CH2 4.01Å; W461-W475 HydrophobicContact CZ2-CZ2 4.22Å; W461-W475 HydrophobicContact CZ3-CH2 4.26Å; W461-W475 AromaticContact CZ3-CZ2 3.93Å; W461-W475 HydrophobicContact CZ3-CZ2 3.93Å; K462-W475 PolarHBondContact O-NE1 2.84Å; V465-W475 HydrophobicContact CB-CH2 4.37Å; V465-W475 HydrophobicContact CB-CZ2 3.7Å; V465-W475 HydrophobicContact CG1-CD2 3.95Å; V465-W475 HydrophobicContact CG1-CE3 4.17Å; V465-W475 HydrophobicContact CG1-CH2 3.66Å; V465-W475 HydrophobicContact CG1-CZ2 3.38Å; V465-W475 HydrophobicContact CG1-CZ3 4.03Å; V465-W475 HydrophobicContact CG2-CZ2 4.31Å; F471-W475 PolarHBondContact O-N 3.29Å; P472-W475 PolarHBondContact O-N 3.49Å; W475-N479 VanDerWaalsContact CD1-ND2 3.31Å; W475-N479 VanDerWaalsContact CE2-ND2 3.27Å; W475-N479 PolarHBondContact NE1-ND2 3.25Å; W475-N479 VanDerWaalsContact NE1-ND2 3.12Å; W475-N479 WeakPolarHBondContact O-CB 3.41Å; W475-N479 PolarHBondContact O-N 3Å; W475-N479 PolarHBondContact O-ND2 3.49Å
476	R	85.8	Confident	87.1	Confident	105 Å²	105	69.4 Å²	69.4	40%	0.396	34%	0.339	S	S	.	.	H	α-helix	trans	-61.3	-46.4	174	-72.9	168.8	-174.5	172.3	0.2	112.5	E466 P472 N473 I474 N479 L480 I587	E466-R476 IonicContact OE1-CZ 3.81Å; E466-R476 IonicContact OE1-NE 3.03Å; E466-R476 PolarHBondContact OE1-NE 3.29Å; E466-R476 IonicContact OE1-NH2 2.63Å; E466-R476 PolarHBondContact OE1-NH2 3Å; P472-R476 VanDerWaalsContact O-CG 3.3Å; P472-R476 WeakPolarHBondContact O-CG 3.34Å; P472-R476 PolarHBondContact O-N 3.19Å; N473-R476 PolarHBondContact O-N 2.97Å; N473-R476 PolarHBondContact OD1-NH1 3.27Å; I474-R476 VanDerWaalsContact C-N 3.3Å; I474-R476 PolarHBondContact O-N 3.35Å; R476-N479 PolarHBondContact O-N 2.93Å; R476-L480 WeakPolarHBondContact O-CB 3.43Å; R476-L480 PolarHBondContact O-N 3.33Å; R476-I587 HydrophobicContact CB-CD1 3.87Å
477	V	85.5	Confident	87.2	Confident	49 Å²	49	68.6 Å²	68.6	30%	0.297	34%	0.34	S	S	.	.	H	α-helix	trans	-63.2	-45.8	177.8	174.6	0	0	0	0	111.3	N473 I474 N479 L480 I481 I587	N473-V477 WeakPolarHBondContact O-CG2 3.41Å; N473-V477 PolarHBondContact O-N 3.22Å; I474-V477 PolarHBondContact O-N 3.48Å; I474-V477 VanDerWaalsContact O-N 3.16Å; V477-N479 PolarHBondContact O-N 3Å; V477-L480 WeakPolarHBondContact O-CB 3.48Å; V477-L480 PolarHBondContact O-N 3.09Å; V477-I481 HydrophobicContact CG1-CD1 3.74Å; V477-I481 HydrophobicContact CG1-CG1 4.38Å; V477-I481 WeakPolarHBondContact O-CG1 3.46Å; V477-I481 PolarHBondContact O-N 3.26Å; V477-I587 HydrophobicContact CG2-CD1 3.82Å
478	L	88.8	Confident	87.6	Confident	99 Å²	99	62.9 Å²	62.9	52%	0.518	31%	0.31	S	S	.	.	H	α-helix	trans	-61.2	-42.5	178.8	-70	173.6	0	0	0	112.3	I474 I481 H482	I474-L478 HydrophobicContact CG2-CD1 4Å; I474-L478 HydrophobicContact CG2-CG 4.32Å; I474-L478 WeakPolarHBondContact O-CG 3.47Å; I474-L478 PolarHBondContact O-N 3.22Å; L478-I481 PolarHBondContact O-N 2.93Å; L478-H482 WeakPolarHBondContact O-CB 3.36Å; L478-H482 PolarHBondContact O-N 3.29Å
479	N	89	Confident	88.1	Confident	10 Å²	10	57.8 Å²	57.8	5%	0.053	29%	0.291	C	S	.	.	H	α-helix	trans	-65.4	-38.5	174.9	-76.9	-63	0	0	0	112.6	Y458 W475 R476 V477 H482 I483	Y458-N479 PolarHBondContact OH-OD1 2.98Å; W475-N479 VanDerWaalsContact CD1-ND2 3.31Å; W475-N479 VanDerWaalsContact CE2-ND2 3.27Å; W475-N479 PolarHBondContact NE1-ND2 3.25Å; W475-N479 VanDerWaalsContact NE1-ND2 3.12Å; W475-N479 WeakPolarHBondContact O-CB 3.41Å; W475-N479 PolarHBondContact O-N 3Å; W475-N479 PolarHBondContact O-ND2 3.49Å; R476-N479 PolarHBondContact O-N 2.93Å; V477-N479 PolarHBondContact O-N 3Å; N479-H482 PolarHBondContact O-N 2.85Å; N479-I483 WeakPolarHBondContact O-CD1 3.37Å; N479-I483 VanDerWaalsContact O-CG1 3.28Å; N479-I483 WeakPolarHBondContact O-CG1 3.45Å; N479-I483 PolarHBondContact O-N 3.17Å
480	L	88.5	Confident	88.6	Confident	35 Å²	35	58.2 Å²	58.2	18%	0.183	29%	0.288	C	S	.	.	H	α-helix	trans	-63.8	-44.1	177.3	-173	66.4	0	0	0	111.3	R476 V477 I483 L484 I580 Q583 V584	R476-L480 WeakPolarHBondContact O-CB 3.43Å; R476-L480 PolarHBondContact O-N 3.33Å; V477-L480 WeakPolarHBondContact O-CB 3.48Å; V477-L480 PolarHBondContact O-N 3.09Å; L480-I483 PolarHBondContact O-N 3.2Å; L480-L484 PolarHBondContact O-N 3.15Å; L480-L484 VanDerWaalsContact O-N 3.08Å; L480-I580 HydrophobicContact CD1-CG1 3.85Å; L480-I580 HydrophobicContact CD2-CB 4.38Å; L480-I580 HydrophobicContact CD2-CG1 4.35Å; L480-I580 HydrophobicContact CD2-CG2 4.07Å; L480-I580 HydrophobicContact CG-CG1 4.03Å; L480-I580 HydrophobicContact CG-CG2 4.48Å; L480-Q583 HydrophobicContact CD2-CB 4.05Å; L480-V584 HydrophobicContact CD2-CG2 4.07Å
481	I	88.7	Confident	89	Confident	77 Å²	77	53.1 Å²	53.1	40%	0.395	26%	0.26	S	S	.	.	H	α-helix	trans	-61.6	-45.6	173.5	-68.9	169.5	0	0	0	110.5	V477 L478 I483 L484 F485	V477-I481 HydrophobicContact CG1-CD1 3.74Å; V477-I481 HydrophobicContact CG1-CG1 4.38Å; V477-I481 WeakPolarHBondContact O-CG1 3.46Å; V477-I481 PolarHBondContact O-N 3.26Å; L478-I481 PolarHBondContact O-N 2.93Å; I481-I483 VanDerWaalsContact C-N 3.34Å; I481-I483 PolarHBondContact O-N 2.92Å; I481-L484 WeakPolarHBondContact O-CB 3.38Å; I481-L484 PolarHBondContact O-N 2.9Å; I481-F485 HydrophobicContact CG2-CD2 3.61Å; I481-F485 HydrophobicContact CG2-CE2 3.66Å; I481-F485 WeakPolarHBondContact O-CD2 3.34Å; I481-F485 PolarHBondContact O-N 2.88Å
482	H	90.6	Very high	89.6	Confident	56 Å²	56	48.6 Å²	48.6	26%	0.259	24%	0.241	S	C	.	.	H	α-helix	trans	-59.5	-42.5	177.9	-174.8	80.6	0	0	0	112.7	L355 W359 L478 N479 L484 F485 L486	L355-H482 WeakPolarHBondContact CD2-NE2 3.46Å; W359-H482 AromaticContact NE1-CE1 3.41Å; W359-H482 PolarHBondContact NE1-CE1 3.46Å; W359-H482 AromaticContact NE1-NE2 3.5Å; L478-H482 WeakPolarHBondContact O-CB 3.36Å; L478-H482 PolarHBondContact O-N 3.29Å; N479-H482 PolarHBondContact O-N 2.85Å; H482-L484 VanDerWaalsContact C-N 3.35Å; H482-L484 PolarHBondContact O-N 2.74Å; H482-F485 PolarHBondContact O-N 3.22Å; H482-L486 WeakPolarHBondContact O-CB 3.49Å; H482-L486 PolarHBondContact O-N 3.5Å
483	I	89.5	Confident	90.1	Very high	77 Å²	77	46.5 Å²	46.5	40%	0.395	23%	0.227	S	C	.	.	H	α-helix	trans	-62.7	-40.9	176.1	-69.1	163.5	0	0	0	111	N479 L480 I481 G487	N479-I483 WeakPolarHBondContact O-CD1 3.37Å; N479-I483 VanDerWaalsContact O-CG1 3.28Å; N479-I483 WeakPolarHBondContact O-CG1 3.45Å; N479-I483 PolarHBondContact O-N 3.17Å; L480-I483 PolarHBondContact O-N 3.2Å; I481-I483 VanDerWaalsContact C-N 3.34Å; I481-I483 PolarHBondContact O-N 2.92Å; I483-G487 PolarHBondContact O-N 2.88Å
484	L	89.4	Confident	90.5	Very high	46 Å²	46	48.2 Å²	48.2	24%	0.241	23%	0.233	C	C	.	.	H	α-helix	trans	-63.2	-46.8	175.3	176.4	64.2	0	0	0	112.2	L480 I481 H482 L486 G487 C488 I576 I580	L480-L484 PolarHBondContact O-N 3.15Å; L480-L484 VanDerWaalsContact O-N 3.08Å; I481-L484 WeakPolarHBondContact O-CB 3.38Å; I481-L484 PolarHBondContact O-N 2.9Å; H482-L484 VanDerWaalsContact C-N 3.35Å; H482-L484 PolarHBondContact O-N 2.74Å; L484-L486 VanDerWaalsContact C-N 3.35Å; L484-L486 PolarHBondContact O-N 2.88Å; L484-G487 PolarHBondContact O-N 2.89Å; L484-C488 PolarHBondContact O-N 3.4Å; L484-C488 PolarHBondContact O-SG 3.41Å; L484-I576 HydrophobicContact CD1-CG2 4.23Å; L484-I580 HydrophobicContact CB-CD1 4.17Å; L484-I580 HydrophobicContact CD1-CD1 3.96Å; L484-I580 HydrophobicContact CD2-CD1 4.14Å; L484-I580 HydrophobicContact CG-CD1 4.31Å
485	F	92.1	Very high	90.9	Very high	108 Å²	108	44.3 Å²	44.3	47%	0.474	21%	0.212	S	C	.	.	H	α-helix	trans	-62.2	-41.6	178.4	-91.6	-78.1	0	0	0	112.2	W359 I481 H482 C488 H489 F529	W359-F485 HydrophobicContact CH2-CB 4.13Å; W359-F485 HydrophobicContact CZ2-CB 4.38Å; I481-F485 HydrophobicContact CG2-CD2 3.61Å; I481-F485 HydrophobicContact CG2-CE2 3.66Å; I481-F485 WeakPolarHBondContact O-CD2 3.34Å; I481-F485 PolarHBondContact O-N 2.88Å; H482-F485 PolarHBondContact O-N 3.22Å; F485-C488 PolarHBondContact O-N 3.22Å; F485-H489 WeakPolarHBondContact O-CB 3.35Å; F485-H489 PolarHBondContact O-N 3.03Å; F485-F529 AromaticContact CD1-CZ 3.9Å; F485-F529 HydrophobicContact CD1-CZ 3.9Å; F485-F529 HydrophobicContact CE1-CZ 4.27Å
486	L	92.9	Very high	91	Very high	22 Å²	22	42.3 Å²	42.3	12%	0.115	21%	0.205	C	C	.	.	H	α-helix	trans	-63.8	-42.2	173.4	178.2	70	0	0	0	111.5	L358 W359 H482 L484 H489 W490	L358-L486 HydrophobicContact CD1-CD2 4.27Å; L358-L486 HydrophobicContact CD2-CD2 3.44Å; L358-L486 VanDerWaalsContact CD2-CD2 3.44Å; L358-L486 HydrophobicContact CG-CD1 3.96Å; L358-L486 HydrophobicContact CG-CD2 3.63Å; L358-L486 HydrophobicContact CG-CG 4.41Å; W359-L486 HydrophobicContact CD2-CD1 3.98Å; W359-L486 HydrophobicContact CG-CD1 4.05Å; W359-L486 HydrophobicContact CZ2-CB 4.02Å; W359-L486 HydrophobicContact CZ2-CD1 4.3Å; H482-L486 WeakPolarHBondContact O-CB 3.49Å; H482-L486 PolarHBondContact O-N 3.5Å; L484-L486 VanDerWaalsContact C-N 3.35Å; L484-L486 PolarHBondContact O-N 2.88Å; L486-H489 WeakPolarHBondContact O-CB 3.39Å; L486-H489 PolarHBondContact O-N 3.09Å; L486-W490 PolarHBondContact O-N 3.35Å
487	G	91.5	Very high	91.3	Very high	16 Å²	16	40.2 Å²	40.2	17%	0.165	20%	0.201	C	C	.	.	H	α-helix	trans	-57	-51.6	173.8	0	0	0	0	0	111.7	I483 L484 H489 W490 F491	I483-G487 PolarHBondContact O-N 2.88Å; L484-G487 PolarHBondContact O-N 2.89Å; G487-H489 VanDerWaalsContact C-N 3.26Å; G487-H489 PolarHBondContact O-N 3.46Å; G487-W490 PolarHBondContact O-N 3.27Å; G487-F491 WeakPolarHBondContact O-CD2 3.29Å; G487-F491 PolarHBondContact O-N 2.82Å
488	C	93.4	Very high	91.5	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.034	19%	0.192	C	C	.	.	H	α-helix	trans	-55.9	-41.5	175.3	-64.4	0	0	0	0	111.9	L484 F485 A492 F529 A532 L536	L484-C488 PolarHBondContact O-N 3.4Å; L484-C488 PolarHBondContact O-SG 3.41Å; F485-C488 PolarHBondContact O-N 3.22Å; C488-A492 WeakPolarHBondContact O-CB 3.2Å; C488-A492 PolarHBondContact O-N 3.1Å; C488-F529 HydrophobicContact CB-CD2 4.22Å; C488-F529 HydrophobicContact CB-CE1 4.27Å; C488-F529 HydrophobicContact CB-CE2 3.48Å; C488-F529 VanDerWaalsContact CB-CE2 3.48Å; C488-F529 HydrophobicContact CB-CZ 3.51Å; C488-A532 WeakPolarHBondContact O-CB 3.41Å; C488-L536 HydrophobicContact CB-CD1 4.37Å
489	H	94.9	Very high	91.5	Very high	8 Å²	8	34.1 Å²	34.1	4%	0.037	17%	0.167	C	C	.	.	H	α-helix	trans	-61.8	-46.4	177.6	-179.3	79.8	0	0	0	112.8	W359 I362 F485 L486 G487 A492 A493 Y525 F529	W359-H489 HydrophobicContact CE3-CB 4.09Å; W359-H489 AromaticContact CE3-CD2 3.93Å; W359-H489 AromaticContact CE3-CG 3.67Å; W359-H489 AromaticContact CE3-ND1 3.83Å; W359-H489 HydrophobicContact CH2-CB 4.19Å; W359-H489 HydrophobicContact CZ3-CB 3.63Å; W359-H489 AromaticContact CZ3-CG 3.63Å; W359-H489 AromaticContact CZ3-ND1 3.77Å; W359-H489 PolarHBondContact O-NE2 3.31Å; I362-H489 WeakPolarHBondContact CG2-NE2 3.05Å; F485-H489 WeakPolarHBondContact O-CB 3.35Å; F485-H489 PolarHBondContact O-N 3.03Å; L486-H489 WeakPolarHBondContact O-CB 3.39Å; L486-H489 PolarHBondContact O-N 3.09Å; G487-H489 VanDerWaalsContact C-N 3.26Å; G487-H489 PolarHBondContact O-N 3.46Å; H489-A492 PolarHBondContact O-N 2.91Å; H489-A493 PolarHBondContact O-N 3.39Å; H489-A493 VanDerWaalsContact O-N 3.1Å; H489-Y525 AromaticContact CE1-CE2 3.76Å; H489-Y525 AromaticContact ND1-CE2 3.5Å; H489-Y525 AromaticContact ND1-CZ 3.63Å; H489-Y525 PolarHBondContact ND1-OH 3.08Å; H489-F529 HydrophobicContact CB-CE2 4.37Å
490	W	94.4	Very high	91.4	Very high	53 Å²	53	37.3 Å²	37.3	20%	0.201	18%	0.18	C	C	.	.	H	α-helix	trans	-66.4	-45.4	178	-85	69.9	0	0	0	112.4	L358 I362 F452 L486 G487 A492 A493 F494	L358-W490 HydrophobicContact CD1-CZ2 4.15Å; L358-W490 PolarHBondContact O-NE1 3Å; I362-W490 HydrophobicContact CB-CD2 4.28Å; I362-W490 HydrophobicContact CB-CE3 4.47Å; I362-W490 HydrophobicContact CB-CH2 4.43Å; I362-W490 HydrophobicContact CB-CZ2 4.23Å; I362-W490 HydrophobicContact CD1-CE3 4.14Å; I362-W490 HydrophobicContact CD1-CZ3 4.14Å; I362-W490 HydrophobicContact CG1-CD2 4.03Å; I362-W490 HydrophobicContact CG1-CE3 3.95Å; I362-W490 HydrophobicContact CG1-CG 4.49Å; I362-W490 HydrophobicContact CG1-CZ3 4.27Å; I362-W490 HydrophobicContact CG2-CD2 4.13Å; I362-W490 HydrophobicContact CG2-CG 4.27Å; I362-W490 HydrophobicContact CG2-CZ2 4.28Å; F452-W490 AromaticContact CE2-CH2 3.74Å; F452-W490 HydrophobicContact CE2-CH2 3.74Å; F452-W490 HydrophobicContact CE2-CZ2 4.17Å; F452-W490 HydrophobicContact CZ-CH2 4.01Å; F452-W490 HydrophobicContact CZ-CZ2 4.1Å; L486-W490 PolarHBondContact O-N 3.35Å; G487-W490 PolarHBondContact O-N 3.27Å; W490-A492 VanDerWaalsContact C-N 3.33Å; W490-A492 PolarHBondContact O-N 3.29Å; W490-A493 PolarHBondContact O-N 2.98Å; W490-F494 AromaticContact CE3-CE2 3.75Å; W490-F494 HydrophobicContact CE3-CE2 3.75Å; W490-F494 AromaticContact CE3-CZ 3.89Å; W490-F494 HydrophobicContact CE3-CZ 3.89Å; W490-F494 HydrophobicContact CZ3-CE2 4.41Å; W490-F494 HydrophobicContact CZ3-CZ 4.11Å; W490-F494 VanDerWaalsContact O-CD2 3.22Å; W490-F494 WeakPolarHBondContact O-CD2 3.3Å; W490-F494 PolarHBondContact O-N 2.75Å
491	F	93.2	Very high	91.3	Very high	28 Å²	28	44.4 Å²	44.4	12%	0.123	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-36.3	176.5	-85.5	-85.4	0	0	0	112.5	G487 F494 Y495 A532 L536 F565 S569 I572	G487-F491 WeakPolarHBondContact O-CD2 3.29Å; G487-F491 PolarHBondContact O-N 2.82Å; F491-F494 PolarHBondContact O-N 2.84Å; F491-Y495 WeakPolarHBondContact O-CB 3.39Å; F491-Y495 PolarHBondContact O-N 2.99Å; F491-A532 HydrophobicContact CB-CB 3.8Å; F491-L536 HydrophobicContact CB-CD1 4.21Å; F491-L536 HydrophobicContact CD2-CD1 3.8Å; F491-L536 HydrophobicContact CD2-CD2 3.9Å; F491-L536 HydrophobicContact CD2-CG 4.29Å; F491-L536 HydrophobicContact CE2-CD2 3.9Å; F491-L536 HydrophobicContact CG-CD1 4.17Å; F491-L536 HydrophobicContact CG-CD2 4.31Å; F491-L536 HydrophobicContact CG-CG 4.45Å; F491-L536 HydrophobicContact CZ-CD2 4.32Å; F491-F565 HydrophobicContact CD1-CE2 4.16Å; F491-F565 AromaticContact CD1-CZ 3.89Å; F491-F565 HydrophobicContact CD1-CZ 3.89Å; F491-F565 HydrophobicContact CE1-CE2 4.33Å; F491-F565 HydrophobicContact CE1-CZ 4.47Å; F491-S569 VanDerWaalsContact CE1-CB 3.46Å; F491-I572 HydrophobicContact CE2-CG2 4.05Å; F491-I572 HydrophobicContact CZ-CB 4.14Å; F491-I572 HydrophobicContact CZ-CD1 3.94Å; F491-I572 HydrophobicContact CZ-CG2 3.79Å
492	A	93.6	Very high	91	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.2	-43.2	174.9	0	0	0	0	0	112.4	C488 H489 W490 Y495 Y496 S528 F529 A532	C488-A492 WeakPolarHBondContact O-CB 3.2Å; C488-A492 PolarHBondContact O-N 3.1Å; H489-A492 PolarHBondContact O-N 2.91Å; W490-A492 VanDerWaalsContact C-N 3.33Å; W490-A492 PolarHBondContact O-N 3.29Å; A492-Y495 PolarHBondContact O-N 2.95Å; A492-Y496 PolarHBondContact O-N 3.26Å; A492-Y496 VanDerWaalsContact O-N 3.08Å; A492-S528 WeakPolarHBondContact CB-O 3.34Å; A492-F529 HydrophobicContact CB-CB 4.27Å; A492-F529 HydrophobicContact CB-CD2 4.37Å; A492-A532 HydrophobicContact CB-CB 3.93Å
493	A	94	Very high	90.5	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-67.4	-41.2	177.9	0	0	0	0	0	112	I362 A366 H489 W490 Y496 L497	I362-A493 HydrophobicContact CD1-CB 4.36Å; I362-A493 HydrophobicContact CG1-CB 3.63Å; A366-A493 HydrophobicContact CB-CB 3.77Å; H489-A493 PolarHBondContact O-N 3.39Å; H489-A493 VanDerWaalsContact O-N 3.1Å; W490-A493 PolarHBondContact O-N 2.98Å; A493-Y496 PolarHBondContact O-N 3.47Å; A493-L497 VanDerWaalsContact O-CB 3.3Å; A493-L497 WeakPolarHBondContact O-CB 3.34Å; A493-L497 PolarHBondContact O-N 2.7Å
494	F	92.7	Very high	90.2	Very high	77 Å²	77	40.6 Å²	40.6	34%	0.338	20%	0.195	S	C	.	.	H	α-helix	trans	-64.2	-43.1	173.2	-73.3	-52.1	0	0	0	112.7	I362 W490 F491 Y496 L497 I498 F565	I362-F494 HydrophobicContact CD1-CE1 4.1Å; I362-F494 HydrophobicContact CD1-CZ 4.27Å; W490-F494 AromaticContact CE3-CE2 3.75Å; W490-F494 HydrophobicContact CE3-CE2 3.75Å; W490-F494 AromaticContact CE3-CZ 3.89Å; W490-F494 HydrophobicContact CE3-CZ 3.89Å; W490-F494 HydrophobicContact CZ3-CE2 4.41Å; W490-F494 HydrophobicContact CZ3-CZ 4.11Å; W490-F494 VanDerWaalsContact O-CD2 3.22Å; W490-F494 WeakPolarHBondContact O-CD2 3.3Å; W490-F494 PolarHBondContact O-N 2.75Å; F491-F494 PolarHBondContact O-N 2.84Å; F494-Y496 VanDerWaalsContact C-N 3.34Å; F494-Y496 PolarHBondContact O-N 2.87Å; F494-L497 PolarHBondContact O-N 3.42Å; F494-I498 WeakPolarHBondContact O-CB 3.19Å; F494-I498 VanDerWaalsContact O-CG1 3.31Å; F494-I498 WeakPolarHBondContact O-CG1 3.3Å; F494-I498 PolarHBondContact O-N 3.46Å; F494-F565 HydrophobicContact CB-CE2 3.67Å; F494-F565 HydrophobicContact CB-CZ 3.64Å; F494-F565 HydrophobicContact CG-CE2 4.38Å
495	Y	91.6	Very high	89.4	Confident	9 Å²	9	47 Å²	47	4%	0.035	22%	0.222	C	C	.	.	H	α-helix	trans	-55.6	-47.5	174.8	167.7	-103.5	0	0	0	111.9	F491 A492 S499 W508 G509 Y510 W531	F491-Y495 WeakPolarHBondContact O-CB 3.39Å; F491-Y495 PolarHBondContact O-N 2.99Å; A492-Y495 PolarHBondContact O-N 2.95Å; Y495-S499 WeakPolarHBondContact O-CB 3.42Å; Y495-S499 PolarHBondContact O-N 3.18Å; Y495-S499 PolarHBondContact O-OG 3.39Å; Y495-W508 AromaticContact CD2-CH2 3.58Å; Y495-W508 HydrophobicContact CD2-CH2 3.58Å; Y495-W508 AromaticContact CD2-CZ2 3.72Å; Y495-W508 HydrophobicContact CD2-CZ2 3.72Å; Y495-W508 HydrophobicContact CD2-CZ3 4.04Å; Y495-W508 HydrophobicContact CE2-CD2 4.25Å; Y495-W508 HydrophobicContact CE2-CE3 4.22Å; Y495-W508 HydrophobicContact CE2-CH2 4.01Å; Y495-W508 HydrophobicContact CE2-CZ2 4.03Å; Y495-W508 HydrophobicContact CE2-CZ3 4.09Å; Y495-W508 WeakPolarHBondContact CE2-O 3.31Å; Y495-W508 PolarHBondContact OH-O 3.29Å; Y495-W508 VanDerWaalsContact OH-O 3.07Å; Y495-G509 PolarHBondContact OH-O 2.67Å; Y495-Y510 PolarHBondContact OH-N 3.21Å; Y495-W531 HydrophobicContact CD1-CB 4.22Å; Y495-W531 HydrophobicContact CD1-CD2 4.26Å; Y495-W531 HydrophobicContact CD1-CE3 4.46Å; Y495-W531 HydrophobicContact CD1-CG 4.1Å; Y495-W531 AromaticContact CD2-CD1 3.86Å; Y495-W531 AromaticContact CD2-CD2 3.4Å; Y495-W531 HydrophobicContact CD2-CD2 3.4Å; Y495-W531 VanDerWaalsContact CD2-CD2 3.4Å; Y495-W531 AromaticContact CD2-CE2 3.44Å; Y495-W531 VanDerWaalsContact CD2-CE2 3.44Å; Y495-W531 AromaticContact CD2-CE3 3.77Å; Y495-W531 HydrophobicContact CD2-CE3 3.77Å; Y495-W531 AromaticContact CD2-CG 3.8Å; Y495-W531 HydrophobicContact CD2-CG 3.8Å; Y495-W531 HydrophobicContact CD2-CH2 4.32Å; Y495-W531 AromaticContact CD2-CZ2 3.95Å; Y495-W531 HydrophobicContact CD2-CZ2 3.95Å; Y495-W531 HydrophobicContact CD2-CZ3 4.22Å; Y495-W531 AromaticContact CD2-NE1 3.65Å; Y495-W531 HydrophobicContact CE1-CB 4.08Å; Y495-W531 AromaticContact CE1-CG 3.98Å; Y495-W531 HydrophobicContact CE1-CG 3.98Å; Y495-W531 AromaticContact CE2-CD1 3.34Å; Y495-W531 AromaticContact CE2-CD2 3.75Å; Y495-W531 HydrophobicContact CE2-CD2 3.75Å; Y495-W531 AromaticContact CE2-CE2 3.61Å; Y495-W531 AromaticContact CE2-CG 3.71Å; Y495-W531 HydrophobicContact CE2-CG 3.71Å; Y495-W531 HydrophobicContact CE2-CZ2 4.38Å; Y495-W531 AromaticContact CE2-NE1 3.27Å; Y495-W531 VanDerWaalsContact CE2-NE1 3.27Å; Y495-W531 AromaticContact CG-CD2 3.68Å; Y495-W531 HydrophobicContact CG-CD2 3.68Å; Y495-W531 AromaticContact CG-CE3 3.71Å; Y495-W531 HydrophobicContact CG-CE3 3.71Å; Y495-W531 AromaticContact CG-CG 4Å; Y495-W531 HydrophobicContact CG-CG 4Å; Y495-W531 HydrophobicContact CG-CZ3 4.33Å; Y495-W531 AromaticContact CZ-CD1 3.46Å; Y495-W531 VanDerWaalsContact CZ-CD1 3.46Å; Y495-W531 AromaticContact CZ-CG 3.78Å; Y495-W531 AromaticContact CZ-NE1 3.91Å
496	Y	92	Very high	88.4	Confident	8 Å²	8	42.7 Å²	42.7	3%	0.031	20%	0.203	C	C	.	.	H	α-helix	trans	-66.7	-41	177.1	-172.8	-96.2	0	0	0	112.3	A366 F367 A492 A493 F494 S499 K500 F504 Y510 R524	A366-Y496 HydrophobicContact CB-CD1 4.31Å; A366-Y496 WeakPolarHBondContact O-CD1 3.5Å; A366-Y496 WeakPolarHBondContact O-CE1 3.35Å; F367-Y496 AromaticContact CD1-CD1 3.98Å; F367-Y496 HydrophobicContact CD1-CD1 3.98Å; F367-Y496 AromaticContact CD1-CE1 3.84Å; F367-Y496 HydrophobicContact CD1-CE1 3.84Å; F367-Y496 HydrophobicContact CD1-CE2 4.49Å; F367-Y496 HydrophobicContact CD1-CG 4.35Å; F367-Y496 AromaticContact CE1-CD1 3.68Å; F367-Y496 HydrophobicContact CE1-CD1 3.68Å; F367-Y496 AromaticContact CE1-CD2 3.76Å; F367-Y496 HydrophobicContact CE1-CD2 3.76Å; F367-Y496 AromaticContact CE1-CE1 3.9Å; F367-Y496 HydrophobicContact CE1-CE1 3.9Å; F367-Y496 AromaticContact CE1-CE2 3.97Å; F367-Y496 HydrophobicContact CE1-CE2 3.97Å; F367-Y496 AromaticContact CE1-CG 3.6Å; F367-Y496 HydrophobicContact CE1-CG 3.6Å; F367-Y496 HydrophobicContact CZ-CD1 4.12Å; F367-Y496 HydrophobicContact CZ-CD2 4.3Å; F367-Y496 AromaticContact CZ-CG 3.86Å; F367-Y496 HydrophobicContact CZ-CG 3.86Å; A492-Y496 PolarHBondContact O-N 3.26Å; A492-Y496 VanDerWaalsContact O-N 3.08Å; A493-Y496 PolarHBondContact O-N 3.47Å; F494-Y496 VanDerWaalsContact C-N 3.34Å; F494-Y496 PolarHBondContact O-N 2.87Å; Y496-S499 WeakPolarHBondContact O-CB 3.43Å; Y496-S499 PolarHBondContact O-N 2.99Å; Y496-K500 WeakPolarHBondContact O-CB 3.44Å; Y496-K500 PolarHBondContact O-N 3.49Å; Y496-F504 HydrophobicContact CE2-CE1 4.4Å; Y496-Y510 HydrophobicContact CD2-CD1 4.44Å; Y496-Y510 HydrophobicContact CD2-CD2 4.38Å; Y496-Y510 HydrophobicContact CD2-CG 4.07Å; Y496-Y510 HydrophobicContact CE2-CD1 4.01Å; Y496-Y510 HydrophobicContact CE2-CE1 4.46Å; Y496-Y510 HydrophobicContact CE2-CG 4.09Å; Y496-R524 HydrophobicContact CE2-CB 4Å; Y496-R524 WeakPolarHBondContact OH-CD 3.27Å; Y496-R524 PolarHBondContact OH-NH1 3.05Å
497	L	91.3	Very high	87.5	Confident	60 Å²	60	44.3 Å²	44.3	31%	0.314	22%	0.215	S	C	.	.	H	α-helix	trans	-64.6	-41.5	179.2	-172.8	66.5	0	0	0	112.3	A493 F494 K500 Y501	A493-L497 VanDerWaalsContact O-CB 3.3Å; A493-L497 WeakPolarHBondContact O-CB 3.34Å; A493-L497 PolarHBondContact O-N 2.7Å; F494-L497 PolarHBondContact O-N 3.42Å; L497-K500 PolarHBondContact O-N 2.78Å; L497-Y501 PolarHBondContact O-N 3.24Å
498	I	89.4	Confident	86.9	Confident	20 Å²	20	44.2 Å²	44.2	10%	0.103	21%	0.21	C	C	.	.	H	α-helix	trans	-65.6	-44.8	174	-66.3	165.9	0	0	0	110.1	F494 K500 Y501 E502 W508 L561 W562 F565	F494-I498 WeakPolarHBondContact O-CB 3.19Å; F494-I498 VanDerWaalsContact O-CG1 3.31Å; F494-I498 WeakPolarHBondContact O-CG1 3.3Å; F494-I498 PolarHBondContact O-N 3.46Å; I498-K500 VanDerWaalsContact C-N 3.26Å; I498-K500 PolarHBondContact O-N 3.18Å; I498-Y501 WeakPolarHBondContact O-CB 3.17Å; I498-Y501 PolarHBondContact O-N 2.9Å; I498-Y501 VanDerWaalsContact O-N 3.1Å; I498-E502 PolarHBondContact O-N 3.16Å; I498-W508 HydrophobicContact CG2-CH2 4.23Å; I498-W508 HydrophobicContact CG2-CZ3 3.94Å; I498-L561 HydrophobicContact CG2-CD2 4.39Å; I498-L561 HydrophobicContact CG2-CG 4.48Å; I498-W562 HydrophobicContact CG2-CB 4.38Å; I498-F565 HydrophobicContact CD1-CB 3.76Å; I498-F565 HydrophobicContact CD1-CD1 3.66Å; I498-F565 HydrophobicContact CD1-CD2 3.62Å; I498-F565 HydrophobicContact CD1-CE1 4.12Å; I498-F565 HydrophobicContact CD1-CE2 4.09Å; I498-F565 HydrophobicContact CD1-CG 3.38Å; I498-F565 HydrophobicContact CD1-CZ 4.31Å
499	S	88	Confident	86.2	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.007	21%	0.21	C	C	.	.	H	α-helix	trans	-57.2	-40	176.2	-59.3	0	0	0	0	112.3	Y495 Y496 G503 F504 G509 Y510	Y495-S499 WeakPolarHBondContact O-CB 3.42Å; Y495-S499 PolarHBondContact O-N 3.18Å; Y495-S499 PolarHBondContact O-OG 3.39Å; Y496-S499 WeakPolarHBondContact O-CB 3.43Å; Y496-S499 PolarHBondContact O-N 2.99Å; S499-G503 PolarHBondContact O-N 2.86Å; S499-F504 WeakPolarHBondContact O-CD1 3.35Å; S499-F504 PolarHBondContact O-N 2.89Å; S499-G509 WeakPolarHBondContact OG-CA 3.46Å; S499-Y510 PolarHBondContact OG-N 2.89Å
500	K	87.9	Confident	85.7	Confident	76 Å²	76	44.4 Å²	44.4	33%	0.33	21%	0.211	S	C	.	.	H	α-helix	trans	-68.7	-39.9	175.6	-172.1	179.7	-177	-178.1	0	112.2	D368 Y496 L497 I498 G503 F504	D368-K500 IonicContact OD1-NZ 3.73Å; D368-K500 PolarHBondContact OD1-NZ 3.29Å; D368-K500 IonicContact OD2-NZ 3.73Å; D368-K500 PolarHBondContact OD2-NZ 2.94Å; Y496-K500 WeakPolarHBondContact O-CB 3.44Å; Y496-K500 PolarHBondContact O-N 3.49Å; L497-K500 PolarHBondContact O-N 2.78Å; I498-K500 VanDerWaalsContact C-N 3.26Å; I498-K500 PolarHBondContact O-N 3.18Å; K500-G503 PolarHBondContact O-N 3.35Å; K500-G503 VanDerWaalsContact O-N 3.09Å; K500-F504 HydrophobicContact CB-CE1 4.04Å; K500-F504 HydrophobicContact CB-CZ 3.78Å; K500-F504 HydrophobicContact CG-CE2 4.39Å; K500-F504 HydrophobicContact CG-CZ 3.94Å
501	Y	87.1	Confident	85	Confident	184 Å²	184	46.8 Å²	46.8	72%	0.722	22%	0.224	S	C	*	.	H	α-helix	trans	-64.3	-39.1	176.3	-179.6	-99.1	0	0	0	112.4	L497 I498 G503 L561	L497-Y501 PolarHBondContact O-N 3.24Å; I498-Y501 WeakPolarHBondContact O-CB 3.17Å; I498-Y501 PolarHBondContact O-N 2.9Å; I498-Y501 VanDerWaalsContact O-N 3.1Å; Y501-G503 PolarHBondContact O-N 3.41Å; Y501-L561 HydrophobicContact CD1-CD2 4.15Å; Y501-L561 HydrophobicContact CE1-CD2 4.35Å
502	E	81.7	Confident	84.1	Confident	22 Å²	22	48.3 Å²	48.3	10%	0.103	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	5.6	173.4	-60.5	-166.1	151.9	0	0	113.4	I498 F504 K505 N506 S559 W562	I498-E502 PolarHBondContact O-N 3.16Å; E502-F504 VanDerWaalsContact C-N 3.26Å; E502-F504 PolarHBondContact O-N 3.31Å; E502-K505 PolarHBondContact O-N 3.08Å; E502-N506 WeakPolarHBondContact OE2-CB 3.43Å; E502-N506 PolarHBondContact OE2-ND2 3.5Å; E502-S559 WeakPolarHBondContact OE1-CB 3.46Å; E502-S559 PolarHBondContact OE1-OG 3.19Å; E502-W562 VanDerWaalsContact OE1-CD1 3.3Å
503	G	80.3	Confident	83	Confident	42 Å²	42	56.4 Å²	56.4	43%	0.433	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	27	177.7	0	0	0	0	0	114	S499 K500 Y501 K505	S499-G503 PolarHBondContact O-N 2.86Å; K500-G503 PolarHBondContact O-N 3.35Å; K500-G503 VanDerWaalsContact O-N 3.09Å; Y501-G503 PolarHBondContact O-N 3.41Å; G503-K505 PolarHBondContact O-N 2.95Å; G503-K505 VanDerWaalsContact O-N 3.1Å
504	F	82.9	Confident	81.4	Confident	66 Å²	66	64.1 Å²	64.1	29%	0.289	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	18	-178.6	-47.9	-66.9	0	0	0	115.7	Y496 S499 K500 E502 Y510 P512	Y496-F504 HydrophobicContact CE2-CE1 4.4Å; S499-F504 WeakPolarHBondContact O-CD1 3.35Å; S499-F504 PolarHBondContact O-N 2.89Å; K500-F504 HydrophobicContact CB-CE1 4.04Å; K500-F504 HydrophobicContact CB-CZ 3.78Å; K500-F504 HydrophobicContact CG-CE2 4.39Å; K500-F504 HydrophobicContact CG-CZ 3.94Å; E502-F504 VanDerWaalsContact C-N 3.26Å; E502-F504 PolarHBondContact O-N 3.31Å; F504-Y510 HydrophobicContact CD1-CD1 4.29Å; F504-Y510 WeakPolarHBondContact CD1-O 3.17Å; F504-Y510 HydrophobicContact CE1-CD1 4.19Å; F504-P512 HydrophobicContact CB-CG 4.3Å
505	K	73.4	Confident	79.8	Confident	182 Å²	182	65.7 Å²	65.7	79%	0.791	32%	0.322	S	S	*	.			trans	-78	-22.6	-178.6	-62.2	177.6	-178.1	176.1	0	114	E502 G503	E502-K505 PolarHBondContact O-N 3.08Å; G503-K505 PolarHBondContact O-N 2.95Å; G503-K505 VanDerWaalsContact O-N 3.1Å
506	N	70.8	Confident	78.2	Confident	17 Å²	17	68 Å²	68	9%	0.091	34%	0.343	C	S	.	.	S	Bend	trans	-84.4	128.5	-171.5	-175.7	-10.3	0	0	0	111.4	E502 W508 G509 W562	E502-N506 WeakPolarHBondContact OE2-CB 3.43Å; E502-N506 PolarHBondContact OE2-ND2 3.5Å; N506-W508 PolarHBondContact O-N 3.09Å; N506-W508 VanDerWaalsContact O-N 3.13Å; N506-W508 PolarHBondContact OD1-N 2.99Å; N506-W508 VanDerWaalsContact OD1-N 3.11Å; N506-G509 PolarHBondContact O-N 2.95Å; N506-W562 PolarHBondContact ND2-NE1 3.3Å
507	P	73.9	Confident	76.5	Confident	56 Å²	56	77.1 Å²	77.1	36%	0.364	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-26	175.7	-28.1	35.9	0	0	0	115.9	I551	P507-I551 HydrophobicContact CG-CD1 4.26Å
508	W	78.8	Confident	74.9	Confident	14 Å²	14	82.6 Å²	82.6	5%	0.053	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-31	174.8	167.8	93.9	0	0	0	113.4	Y495 I498 N506 W531 W562 F565 T566	Y495-W508 AromaticContact CD2-CH2 3.58Å; Y495-W508 HydrophobicContact CD2-CH2 3.58Å; Y495-W508 AromaticContact CD2-CZ2 3.72Å; Y495-W508 HydrophobicContact CD2-CZ2 3.72Å; Y495-W508 HydrophobicContact CD2-CZ3 4.04Å; Y495-W508 HydrophobicContact CE2-CD2 4.25Å; Y495-W508 HydrophobicContact CE2-CE3 4.22Å; Y495-W508 HydrophobicContact CE2-CH2 4.01Å; Y495-W508 HydrophobicContact CE2-CZ2 4.03Å; Y495-W508 HydrophobicContact CE2-CZ3 4.09Å; Y495-W508 WeakPolarHBondContact CE2-O 3.31Å; Y495-W508 PolarHBondContact OH-O 3.29Å; Y495-W508 VanDerWaalsContact OH-O 3.07Å; I498-W508 HydrophobicContact CG2-CH2 4.23Å; I498-W508 HydrophobicContact CG2-CZ3 3.94Å; N506-W508 PolarHBondContact O-N 3.09Å; N506-W508 VanDerWaalsContact O-N 3.13Å; N506-W508 PolarHBondContact OD1-N 2.99Å; N506-W508 VanDerWaalsContact OD1-N 3.11Å; W508-W531 AromaticContact CE2-CZ2 3.75Å; W508-W531 AromaticContact CZ2-CH2 4Å; W508-W531 HydrophobicContact CZ2-CH2 4Å; W508-W531 AromaticContact CZ2-CZ2 3.44Å; W508-W531 HydrophobicContact CZ2-CZ2 3.44Å; W508-W531 VanDerWaalsContact CZ2-CZ2 3.44Å; W508-W531 AromaticContact NE1-CZ2 3.64Å; W508-W531 AromaticContact NE1-NE1 3.84Å; W508-W562 HydrophobicContact CB-CD2 4.38Å; W508-W562 HydrophobicContact CB-CE3 3.53Å; W508-W562 HydrophobicContact CB-CH2 4.41Å; W508-W562 HydrophobicContact CB-CZ3 3.51Å; W508-W562 AromaticContact CD1-CE3 3.71Å; W508-W562 AromaticContact CD1-CZ3 3.84Å; W508-W562 HydrophobicContact CD2-CB 4.05Å; W508-W562 HydrophobicContact CD2-CD2 4.42Å; W508-W562 AromaticContact CD2-CE3 3.7Å; W508-W562 HydrophobicContact CD2-CE3 3.7Å; W508-W562 HydrophobicContact CD2-CZ3 4.48Å; W508-W562 HydrophobicContact CE3-CB 3.56Å; W508-W562 HydrophobicContact CE3-CE3 4.27Å; W508-W562 HydrophobicContact CE3-CG 4.34Å; W508-W562 HydrophobicContact CG-CD2 4.37Å; W508-W562 AromaticContact CG-CE3 3.36Å; W508-W562 HydrophobicContact CG-CE3 3.36Å; W508-W562 AromaticContact CG-CZ3 3.68Å; W508-W562 HydrophobicContact CG-CZ3 3.68Å; W508-W562 HydrophobicContact CH2-CB 4.04Å; W508-W562 HydrophobicContact CZ2-CB 4.46Å; W508-W562 HydrophobicContact CZ3-CB 3.57Å; W508-F565 AromaticContact CH2-CD1 3.79Å; W508-F565 HydrophobicContact CH2-CD1 3.79Å; W508-F565 HydrophobicContact CH2-CE1 4.25Å; W508-F565 AromaticContact CZ2-CD1 3.82Å; W508-F565 HydrophobicContact CZ2-CD1 3.82Å; W508-F565 HydrophobicContact CZ2-CE1 4.29Å; W508-T566 VanDerWaalsContact CE2-OG1 3.24Å; W508-T566 VanDerWaalsContact CZ2-OG1 3.32Å; W508-T566 WeakPolarHBondContact CZ2-OG1 3.43Å; W508-T566 PolarHBondContact NE1-OG1 3.28Å
509	G	78.5	Confident	73.9	Confident	4 Å²	4	82.9 Å²	82.9	4%	0.041	41%	0.412	C	S	.	.	S	Bend	trans	-73.3	174.4	-173.4	0	0	0	0	0	113	Y495 S499 N506 Q511	Y495-G509 PolarHBondContact OH-O 2.67Å; S499-G509 WeakPolarHBondContact OG-CA 3.46Å; N506-G509 PolarHBondContact O-N 2.95Å; G509-Q511 PolarHBondContact O-N 2.97Å
510	Y	83.9	Confident	73.6	Confident	12 Å²	12	86.7 Å²	86.7	5%	0.047	44%	0.435	C	S	.	.			trans	-60.5	100.5	169.8	-179.7	-86.9	0	0	0	109.6	Y495 Y496 S499 F504 P512 V519 R524 K527	Y495-Y510 PolarHBondContact OH-N 3.21Å; Y496-Y510 HydrophobicContact CD2-CD1 4.44Å; Y496-Y510 HydrophobicContact CD2-CD2 4.38Å; Y496-Y510 HydrophobicContact CD2-CG 4.07Å; Y496-Y510 HydrophobicContact CE2-CD1 4.01Å; Y496-Y510 HydrophobicContact CE2-CE1 4.46Å; Y496-Y510 HydrophobicContact CE2-CG 4.09Å; S499-Y510 PolarHBondContact OG-N 2.89Å; F504-Y510 HydrophobicContact CD1-CD1 4.29Å; F504-Y510 WeakPolarHBondContact CD1-O 3.17Å; F504-Y510 HydrophobicContact CE1-CD1 4.19Å; Y510-P512 HydrophobicContact CE1-CB 4.45Å; Y510-P512 WeakPolarHBondContact O-CD 3.17Å; Y510-V519 WeakPolarHBondContact OH-CG1 3.24Å; Y510-R524 HydrophobicContact CE1-CG 4.38Å; Y510-R524 HydrophobicContact CE2-CB 4.14Å; Y510-R524 HydrophobicContact CE2-CG 4.39Å; Y510-K527 HydrophobicContact CD2-CB 4.43Å; Y510-K527 HydrophobicContact CD2-CD 3.96Å; Y510-K527 HydrophobicContact CD2-CG 4.41Å; Y510-K527 HydrophobicContact CE2-CB 4.08Å; Y510-K527 HydrophobicContact CE2-CD 3.68Å; Y510-K527 HydrophobicContact CE2-CG 4.3Å
511	Q	79.4	Confident	73.4	Confident	104 Å²	104	85.6 Å²	85.6	49%	0.486	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-76.5	119.3	170.8	-68.4	178.8	-28.5	0	0	109.7	G509	G509-Q511 PolarHBondContact O-N 2.97Å
512	P	74.4	Confident	73.4	Confident	60 Å²	60	80.1 Å²	80.1	39%	0.39	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-65.4	146.9	163.3	29.8	-33.8	0	0	0	109.3	F504 Y510	F504-P512 HydrophobicContact CB-CG 4.3Å; Y510-P512 HydrophobicContact CE1-CB 4.45Å; Y510-P512 WeakPolarHBondContact O-CD 3.17Å
513	Y	70.5	Confident	73.6	Confident	170 Å²	170	87.2 Å²	87.2	67%	0.667	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-72	154	170.3	-151.2	-105.2	0	0	0	109.1	D515 A516	Y513-D515 HydrophobicContact CD1-CB 4.16Å; Y513-D515 WeakPolarHBondContact CD1-OD2 3.4Å; Y513-D515 WeakPolarHBondContact CE1-OD2 3.41Å; Y513-D515 PolarHBondContact O-N 2.96Å; Y513-D515 VanDerWaalsContact O-N 3.16Å; Y513-A516 WeakPolarHBondContact O-CA 3.47Å; Y513-A516 PolarHBondContact O-N 3.27Å
514	N	61.6	Low	74.1	Confident	163 Å²	163	87.5 Å²	87.5	87%	0.872	44%	0.435	S	S	*	.	S	Bend	trans	-57.7	-32.3	-179.5	-68.8	-10.4	0	0	0	111.8	A516	N514-A516 PolarHBondContact O-N 3.49Å
515	D	59.1	Low	74.5	Confident	110 Å²	110	87 Å²	87	59%	0.588	43%	0.431	S	S	*	.	S	Bend	trans	-79.4	58.2	169.6	-49.4	-50	0	0	0	111.6	Y513 E517 Q518	Y513-D515 HydrophobicContact CD1-CB 4.16Å; Y513-D515 WeakPolarHBondContact CD1-OD2 3.4Å; Y513-D515 WeakPolarHBondContact CE1-OD2 3.41Å; Y513-D515 PolarHBondContact O-N 2.96Å; Y513-D515 VanDerWaalsContact O-N 3.16Å; D515-E517 PolarHBondContact O-N 2.9Å; D515-E517 VanDerWaalsContact O-N 3.12Å; D515-Q518 PolarHBondContact O-N 3.4Å
516	A	58.4	Low	75.4	Confident	57 Å²	57	83.1 Å²	83.1	47%	0.471	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-61	-24.9	-169.1	0	0	0	0	0	114.3	Y513 N514 Q518	Y513-A516 WeakPolarHBondContact O-CA 3.47Å; Y513-A516 PolarHBondContact O-N 3.27Å; N514-A516 PolarHBondContact O-N 3.49Å; A516-Q518 VanDerWaalsContact C-N 3.32Å; A516-Q518 PolarHBondContact O-N 3.39Å
517	E	55.9	Low	76.3	Confident	200 Å²	200	86.5 Å²	86.5	94%	0.935	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-64.9	-26	-177.9	-89.7	-172.3	141.6	0	0	114.8	D515	D515-E517 PolarHBondContact O-N 2.9Å; D515-E517 VanDerWaalsContact O-N 3.12Å
518	Q	57.1	Low	77.1	Confident	174 Å²	174	83.8 Å²	83.8	81%	0.813	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-101.2	-0.4	-172.9	-62.8	-166.1	5.6	0	0	114.8	D515 A516 T520	D515-Q518 PolarHBondContact O-N 3.4Å; A516-Q518 VanDerWaalsContact C-N 3.32Å; A516-Q518 PolarHBondContact O-N 3.39Å; Q518-T520 PolarHBondContact O-N 2.92Å; Q518-T520 VanDerWaalsContact O-N 3.09Å
519	V	69	Low	77.8	Confident	26 Å²	26	84.8 Å²	84.8	16%	0.158	42%	0.42	C	S	.	.			trans	-80.4	101.2	-175.2	-170.7	0	0	0	0	111.7	Y510 R523 R524	Y510-V519 WeakPolarHBondContact OH-CG1 3.24Å; V519-R523 HydrophobicContact CG1-CB 4.14Å; V519-R523 HydrophobicContact CG1-CG 4.27Å; V519-R524 HydrophobicContact CG1-CG 3.98Å; V519-R524 PolarHBondContact O-NE 3.13Å; V519-R524 PolarHBondContact O-NH2 3.4Å; V519-R524 VanDerWaalsContact O-NH2 3.15Å
520	T	81.8	Confident	78.4	Confident	81 Å²	81	91.6 Å²	91.6	50%	0.497	45%	0.445	S	S	.	.			trans	-55.6	143	177.1	59.4	0	0	0	0	113	Q518 S522 R523 R524	Q518-T520 PolarHBondContact O-N 2.92Å; Q518-T520 VanDerWaalsContact O-N 3.09Å; T520-S522 PolarHBondContact O-N 3.33Å; T520-S522 VanDerWaalsContact O-N 3.16Å; T520-S522 PolarHBondContact OG1-OG 2.92Å; T520-R523 WeakPolarHBondContact O-CB 3.23Å; T520-R523 PolarHBondContact O-N 2.74Å; T520-R524 PolarHBondContact O-N 2.87Å
521	M	83.5	Confident	78.7	Confident	53 Å²	53	91.6 Å²	91.6	26%	0.261	45%	0.445	S	S	.	.	H	α-helix	trans	-49.4	-41.2	175	-175.7	-150.4	155.4	0	0	112.4	F367 L370 R523 R524 Y525	F367-M521 HydrophobicContact CB-CE 3.76Å; F367-M521 HydrophobicContact CB-CG 4.45Å; F367-M521 HydrophobicContact CG-CE 4.2Å; L370-M521 HydrophobicContact CB-CE 3.81Å; L370-M521 HydrophobicContact CB-SD 4.19Å; L370-M521 HydrophobicContact CD1-CE 3.96Å; L370-M521 HydrophobicContact CD1-SD 4.16Å; L370-M521 HydrophobicContact CD2-CE 4.01Å; L370-M521 HydrophobicContact CG-CE 4.13Å; M521-R523 VanDerWaalsContact C-N 3.33Å; M521-R523 PolarHBondContact O-N 3.06Å; M521-R524 PolarHBondContact O-N 3.4Å; M521-Y525 PolarHBondContact O-N 3.07Å
522	S	86.2	Confident	79.3	Confident	70 Å²	70	86.6 Å²	86.6	49%	0.49	42%	0.422	S	S	.	.	H	α-helix	trans	-62	-37	178.2	54.6	0	0	0	0	112.6	T520 Y525 L526	T520-S522 PolarHBondContact O-N 3.33Å; T520-S522 VanDerWaalsContact O-N 3.16Å; T520-S522 PolarHBondContact OG1-OG 2.92Å; S522-Y525 PolarHBondContact O-N 3.16Å; S522-L526 VanDerWaalsContact O-CB 3.31Å; S522-L526 WeakPolarHBondContact O-CB 3.47Å; S522-L526 WeakPolarHBondContact O-CG 3.4Å; S522-L526 PolarHBondContact O-N 3.09Å
523	R	87.2	Confident	80.1	Confident	170 Å²	170	85.9 Å²	85.9	64%	0.642	42%	0.416	S	S	*	.	H	α-helix	trans	-67	-38.3	175.3	-169.4	64.6	172.4	179.6	0.5	111.7	V519 T520 M521 K527	V519-R523 HydrophobicContact CG1-CB 4.14Å; V519-R523 HydrophobicContact CG1-CG 4.27Å; T520-R523 WeakPolarHBondContact O-CB 3.23Å; T520-R523 PolarHBondContact O-N 2.74Å; M521-R523 VanDerWaalsContact C-N 3.33Å; M521-R523 PolarHBondContact O-N 3.06Å; R523-K527 WeakPolarHBondContact O-CB 3.49Å; R523-K527 PolarHBondContact O-N 3.24Å
524	R	89.2	Confident	81	Confident	49 Å²	49	78.5 Å²	78.5	19%	0.185	39%	0.388	C	S	.	.	H	α-helix	trans	-65	-46.2	175.7	-47.8	-161.4	-161.5	142	16	111.5	F367 E369 Y496 Y510 V519 T520 M521 S528	F367-R524 HydrophobicContact CE1-CB 4.07Å; E369-R524 IonicContact OE1-CZ 2.98Å; E369-R524 IonicContact OE1-NH1 3.65Å; E369-R524 PolarHBondContact OE1-NH1 2.83Å; E369-R524 IonicContact OE1-NH2 2.8Å; E369-R524 PolarHBondContact OE1-NH2 3.37Å; E369-R524 IonicContact OE2-NH2 2.84Å; Y496-R524 HydrophobicContact CE2-CB 4Å; Y496-R524 WeakPolarHBondContact OH-CD 3.27Å; Y496-R524 PolarHBondContact OH-NH1 3.05Å; Y510-R524 HydrophobicContact CE1-CG 4.38Å; Y510-R524 HydrophobicContact CE2-CB 4.14Å; Y510-R524 HydrophobicContact CE2-CG 4.39Å; V519-R524 HydrophobicContact CG1-CG 3.98Å; V519-R524 PolarHBondContact O-NE 3.13Å; V519-R524 PolarHBondContact O-NH2 3.4Å; V519-R524 VanDerWaalsContact O-NH2 3.15Å; T520-R524 PolarHBondContact O-N 2.87Å; M521-R524 PolarHBondContact O-N 3.4Å; R524-S528 WeakPolarHBondContact O-CB 3.39Å; R524-S528 PolarHBondContact O-N 2.99Å; R524-S528 VanDerWaalsContact O-N 3.14Å; R524-S528 PolarHBondContact O-OG 3.47Å
525	Y	92.7	Very high	82.3	Confident	56 Å²	56	70.8 Å²	70.8	22%	0.22	35%	0.347	C	S	.	.	H	α-helix	trans	-60.2	-50.4	174.5	176.3	-101.2	0	0	0	111.8	F367 H489 M521 S522 K527 S528 F529	F367-Y525 HydrophobicContact CD2-CD2 4.4Å; F367-Y525 AromaticContact CE2-CD2 3.71Å; F367-Y525 HydrophobicContact CE2-CD2 3.71Å; F367-Y525 HydrophobicContact CZ-CD2 4.05Å; H489-Y525 AromaticContact CE1-CE2 3.76Å; H489-Y525 AromaticContact ND1-CE2 3.5Å; H489-Y525 AromaticContact ND1-CZ 3.63Å; H489-Y525 PolarHBondContact ND1-OH 3.08Å; M521-Y525 PolarHBondContact O-N 3.07Å; S522-Y525 PolarHBondContact O-N 3.16Å; Y525-K527 PolarHBondContact O-N 3.26Å; Y525-S528 WeakPolarHBondContact O-CB 3.38Å; Y525-S528 PolarHBondContact O-N 3.26Å; Y525-F529 HydrophobicContact CE1-CB 4.4Å; Y525-F529 HydrophobicContact CE1-CD2 4.4Å; Y525-F529 AromaticContact CZ-CD2 3.92Å; Y525-F529 WeakPolarHBondContact O-CB 3.41Å; Y525-F529 PolarHBondContact O-N 3.4Å; Y525-F529 WeakPolarHBondContact OH-CD2 3.39Å
526	L	91.9	Very high	83.8	Confident	99 Å²	99	65.6 Å²	65.6	52%	0.518	32%	0.319	S	S	.	.	H	α-helix	trans	-64.4	-39.9	-177.4	-72.3	169.6	0	0	0	113	S522 S528 F529 Y530	S522-L526 VanDerWaalsContact O-CB 3.31Å; S522-L526 WeakPolarHBondContact O-CB 3.47Å; S522-L526 WeakPolarHBondContact O-CG 3.4Å; S522-L526 PolarHBondContact O-N 3.09Å; L526-S528 VanDerWaalsContact C-N 3.33Å; L526-S528 PolarHBondContact O-N 2.95Å; L526-F529 PolarHBondContact O-N 2.98Å; L526-Y530 WeakPolarHBondContact O-CB 3.25Å; L526-Y530 PolarHBondContact O-N 3.02Å
527	K	89.3	Confident	85.2	Confident	88 Å²	88	64.5 Å²	64.5	38%	0.383	31%	0.307	S	S	.	.	H	α-helix	trans	-63.9	-39.2	174.3	-171.3	177.3	176.4	-173.4	0	111.4	Y510 R523 Y525 W531	Y510-K527 HydrophobicContact CD2-CB 4.43Å; Y510-K527 HydrophobicContact CD2-CD 3.96Å; Y510-K527 HydrophobicContact CD2-CG 4.41Å; Y510-K527 HydrophobicContact CE2-CB 4.08Å; Y510-K527 HydrophobicContact CE2-CD 3.68Å; Y510-K527 HydrophobicContact CE2-CG 4.3Å; R523-K527 WeakPolarHBondContact O-CB 3.49Å; R523-K527 PolarHBondContact O-N 3.24Å; Y525-K527 PolarHBondContact O-N 3.26Å; K527-W531 PolarHBondContact O-N 2.86Å; K527-W531 VanDerWaalsContact O-N 3.09Å
528	S	91.5	Very high	86.7	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-69.6	-37.5	176.6	-53	0	0	0	0	112.4	A492 R524 Y525 L526 W531 A532	A492-S528 WeakPolarHBondContact CB-O 3.34Å; R524-S528 WeakPolarHBondContact O-CB 3.39Å; R524-S528 PolarHBondContact O-N 2.99Å; R524-S528 VanDerWaalsContact O-N 3.14Å; R524-S528 PolarHBondContact O-OG 3.47Å; Y525-S528 WeakPolarHBondContact O-CB 3.38Å; Y525-S528 PolarHBondContact O-N 3.26Å; L526-S528 VanDerWaalsContact C-N 3.33Å; L526-S528 PolarHBondContact O-N 2.95Å; S528-W531 PolarHBondContact O-N 3.46Å; S528-A532 PolarHBondContact O-N 3.3Å; S528-A532 VanDerWaalsContact O-N 3.08Å
529	F	93	Very high	88.1	Confident	35 Å²	35	55 Å²	55	15%	0.154	27%	0.269	C	S	.	.	H	α-helix	trans	-68.2	-41.2	176	-167.4	-88.7	0	0	0	111.6	F485 C488 H489 A492 Y525 L526 A532 T533	F485-F529 AromaticContact CD1-CZ 3.9Å; F485-F529 HydrophobicContact CD1-CZ 3.9Å; F485-F529 HydrophobicContact CE1-CZ 4.27Å; C488-F529 HydrophobicContact CB-CD2 4.22Å; C488-F529 HydrophobicContact CB-CE1 4.27Å; C488-F529 HydrophobicContact CB-CE2 3.48Å; C488-F529 VanDerWaalsContact CB-CE2 3.48Å; C488-F529 HydrophobicContact CB-CZ 3.51Å; H489-F529 HydrophobicContact CB-CE2 4.37Å; A492-F529 HydrophobicContact CB-CB 4.27Å; A492-F529 HydrophobicContact CB-CD2 4.37Å; Y525-F529 HydrophobicContact CE1-CB 4.4Å; Y525-F529 HydrophobicContact CE1-CD2 4.4Å; Y525-F529 AromaticContact CZ-CD2 3.92Å; Y525-F529 WeakPolarHBondContact O-CB 3.41Å; Y525-F529 PolarHBondContact O-N 3.4Å; Y525-F529 WeakPolarHBondContact OH-CD2 3.39Å; L526-F529 PolarHBondContact O-N 2.98Å; F529-A532 PolarHBondContact O-N 3.23Å; F529-T533 WeakPolarHBondContact CE1-OG1 3.38Å; F529-T533 WeakPolarHBondContact O-CB 3.2Å; F529-T533 PolarHBondContact O-N 3.23Å; F529-T533 PolarHBondContact O-OG1 3.03Å
530	Y	90.7	Very high	88.2	Confident	146 Å²	146	55.2 Å²	55.2	57%	0.573	28%	0.276	S	S	*	.	H	α-helix	trans	-58.8	-47.5	172.4	177.8	-106.8	0	0	0	112.1	L526 A532 T533 L534	L526-Y530 WeakPolarHBondContact O-CB 3.25Å; L526-Y530 PolarHBondContact O-N 3.02Å; Y530-A532 VanDerWaalsContact C-N 3.34Å; Y530-A532 PolarHBondContact O-N 2.64Å; Y530-T533 PolarHBondContact O-N 3.48Å; Y530-L534 HydrophobicContact CD1-CD1 4.04Å; Y530-L534 HydrophobicContact CE1-CD1 3.52Å; Y530-L534 HydrophobicContact CE1-CG 4.46Å; Y530-L534 HydrophobicContact CE2-CD1 4.05Å; Y530-L534 HydrophobicContact CE2-CD2 4.48Å; Y530-L534 HydrophobicContact CE2-CG 4.23Å; Y530-L534 WeakPolarHBondContact O-CG 3.42Å; Y530-L534 PolarHBondContact O-N 3.15Å
531	W	90.2	Very high	87.6	Confident	12 Å²	12	57.6 Å²	57.6	5%	0.045	29%	0.286	C	S	.	.	H	α-helix	trans	-54.2	-48.5	173.5	-177.3	103.3	0	0	0	111.9	Y495 W508 K527 S528 T535 L542 F565	Y495-W531 HydrophobicContact CD1-CB 4.22Å; Y495-W531 HydrophobicContact CD1-CD2 4.26Å; Y495-W531 HydrophobicContact CD1-CE3 4.46Å; Y495-W531 HydrophobicContact CD1-CG 4.1Å; Y495-W531 AromaticContact CD2-CD1 3.86Å; Y495-W531 AromaticContact CD2-CD2 3.4Å; Y495-W531 HydrophobicContact CD2-CD2 3.4Å; Y495-W531 VanDerWaalsContact CD2-CD2 3.4Å; Y495-W531 AromaticContact CD2-CE2 3.44Å; Y495-W531 VanDerWaalsContact CD2-CE2 3.44Å; Y495-W531 AromaticContact CD2-CE3 3.77Å; Y495-W531 HydrophobicContact CD2-CE3 3.77Å; Y495-W531 AromaticContact CD2-CG 3.8Å; Y495-W531 HydrophobicContact CD2-CG 3.8Å; Y495-W531 HydrophobicContact CD2-CH2 4.32Å; Y495-W531 AromaticContact CD2-CZ2 3.95Å; Y495-W531 HydrophobicContact CD2-CZ2 3.95Å; Y495-W531 HydrophobicContact CD2-CZ3 4.22Å; Y495-W531 AromaticContact CD2-NE1 3.65Å; Y495-W531 HydrophobicContact CE1-CB 4.08Å; Y495-W531 AromaticContact CE1-CG 3.98Å; Y495-W531 HydrophobicContact CE1-CG 3.98Å; Y495-W531 AromaticContact CE2-CD1 3.34Å; Y495-W531 AromaticContact CE2-CD2 3.75Å; Y495-W531 HydrophobicContact CE2-CD2 3.75Å; Y495-W531 AromaticContact CE2-CE2 3.61Å; Y495-W531 AromaticContact CE2-CG 3.71Å; Y495-W531 HydrophobicContact CE2-CG 3.71Å; Y495-W531 HydrophobicContact CE2-CZ2 4.38Å; Y495-W531 AromaticContact CE2-NE1 3.27Å; Y495-W531 VanDerWaalsContact CE2-NE1 3.27Å; Y495-W531 AromaticContact CG-CD2 3.68Å; Y495-W531 HydrophobicContact CG-CD2 3.68Å; Y495-W531 AromaticContact CG-CE3 3.71Å; Y495-W531 HydrophobicContact CG-CE3 3.71Å; Y495-W531 AromaticContact CG-CG 4Å; Y495-W531 HydrophobicContact CG-CG 4Å; Y495-W531 HydrophobicContact CG-CZ3 4.33Å; Y495-W531 AromaticContact CZ-CD1 3.46Å; Y495-W531 VanDerWaalsContact CZ-CD1 3.46Å; Y495-W531 AromaticContact CZ-CG 3.78Å; Y495-W531 AromaticContact CZ-NE1 3.91Å; W508-W531 AromaticContact CE2-CZ2 3.75Å; W508-W531 AromaticContact CZ2-CH2 4Å; W508-W531 HydrophobicContact CZ2-CH2 4Å; W508-W531 AromaticContact CZ2-CZ2 3.44Å; W508-W531 HydrophobicContact CZ2-CZ2 3.44Å; W508-W531 VanDerWaalsContact CZ2-CZ2 3.44Å; W508-W531 AromaticContact NE1-CZ2 3.64Å; W508-W531 AromaticContact NE1-NE1 3.84Å; K527-W531 PolarHBondContact O-N 2.86Å; K527-W531 VanDerWaalsContact O-N 3.09Å; S528-W531 PolarHBondContact O-N 3.46Å; W531-T535 HydrophobicContact CH2-CG2 4.23Å; W531-T535 HydrophobicContact CZ3-CG2 4.48Å; W531-T535 WeakPolarHBondContact O-CB 3.35Å; W531-T535 PolarHBondContact O-N 3.25Å; W531-T535 VanDerWaalsContact O-N 3.14Å; W531-T535 PolarHBondContact O-OG1 2.96Å; W531-L542 HydrophobicContact CB-CD2 4.41Å; W531-L542 HydrophobicContact CD2-CD2 4.33Å; W531-L542 HydrophobicContact CG-CD2 3.73Å; W531-L542 VanDerWaalsContact NE1-CD2 3.26Å; W531-F565 HydrophobicContact CH2-CD1 4.12Å; W531-F565 AromaticContact CH2-CE1 3.59Å; W531-F565 HydrophobicContact CH2-CE1 3.59Å; W531-F565 AromaticContact CZ3-CE1 3.75Å; W531-F565 HydrophobicContact CZ3-CE1 3.75Å; W531-F565 HydrophobicContact CZ3-CZ 4.36Å
532	A	92.3	Very high	87	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-66.7	-40.8	-179.7	0	0	0	0	0	112.6	C488 F491 A492 S528 F529 Y530 T535 L536	C488-A532 WeakPolarHBondContact O-CB 3.41Å; F491-A532 HydrophobicContact CB-CB 3.8Å; A492-A532 HydrophobicContact CB-CB 3.93Å; S528-A532 PolarHBondContact O-N 3.3Å; S528-A532 VanDerWaalsContact O-N 3.08Å; F529-A532 PolarHBondContact O-N 3.23Å; Y530-A532 VanDerWaalsContact C-N 3.34Å; Y530-A532 PolarHBondContact O-N 2.64Å; A532-T535 PolarHBondContact O-N 3.21Å; A532-L536 WeakPolarHBondContact O-CB 3.46Å; A532-L536 WeakPolarHBondContact O-CG 3.33Å; A532-L536 PolarHBondContact O-N 3.44Å
533	T	90.8	Very high	86	Confident	44 Å²	44	57.6 Å²	57.6	27%	0.27	29%	0.288	S	S	.	.	H	α-helix	trans	-63.6	-49.1	177.6	-60.8	0	0	0	0	111.3	F529 Y530 T535 L536 T537	F529-T533 WeakPolarHBondContact CE1-OG1 3.38Å; F529-T533 WeakPolarHBondContact O-CB 3.2Å; F529-T533 PolarHBondContact O-N 3.23Å; F529-T533 PolarHBondContact O-OG1 3.03Å; Y530-T533 PolarHBondContact O-N 3.48Å; T533-T535 VanDerWaalsContact C-N 3.28Å; T533-T535 PolarHBondContact O-N 2.83Å; T533-L536 PolarHBondContact O-N 3.09Å; T533-T537 HydrophobicContact CG2-CG2 4.23Å; T533-T537 WeakPolarHBondContact O-CB 3.38Å; T533-T537 WeakPolarHBondContact O-CG2 3.44Å; T533-T537 PolarHBondContact O-N 2.98Å; T533-T537 PolarHBondContact O-OG1 3.23Å
534	L	90.1	Very high	84.8	Confident	15 Å²	15	54.5 Å²	54.5	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-59.7	-38.6	177.8	-74	177.6	0	0	0	112.7	Y530 T538 I539 G540 L542	Y530-L534 HydrophobicContact CD1-CD1 4.04Å; Y530-L534 HydrophobicContact CE1-CD1 3.52Å; Y530-L534 HydrophobicContact CE1-CG 4.46Å; Y530-L534 HydrophobicContact CE2-CD1 4.05Å; Y530-L534 HydrophobicContact CE2-CD2 4.48Å; Y530-L534 HydrophobicContact CE2-CG 4.23Å; Y530-L534 WeakPolarHBondContact O-CG 3.42Å; Y530-L534 PolarHBondContact O-N 3.15Å; L534-T538 PolarHBondContact O-N 3.43Å; L534-I539 HydrophobicContact CD2-CB 3.85Å; L534-I539 HydrophobicContact CD2-CD1 4.2Å; L534-I539 HydrophobicContact CD2-CG2 3.73Å; L534-I539 PolarHBondContact O-N 3.28Å; L534-I539 VanDerWaalsContact O-N 3.09Å; L534-G540 PolarHBondContact O-N 3.48Å; L534-L542 HydrophobicContact CB-CD1 3.6Å; L534-L542 HydrophobicContact CD1-CD1 3.75Å; L534-L542 HydrophobicContact CD1-CG 4.24Å; L534-L542 HydrophobicContact CG-CD1 4.35Å
535	T	88.9	Confident	83.4	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-69	-49.1	178.7	-56.3	0	0	0	0	111.5	W531 A532 T533 T538 S569 Y570	W531-T535 HydrophobicContact CH2-CG2 4.23Å; W531-T535 HydrophobicContact CZ3-CG2 4.48Å; W531-T535 WeakPolarHBondContact O-CB 3.35Å; W531-T535 PolarHBondContact O-N 3.25Å; W531-T535 VanDerWaalsContact O-N 3.14Å; W531-T535 PolarHBondContact O-OG1 2.96Å; A532-T535 PolarHBondContact O-N 3.21Å; T533-T535 VanDerWaalsContact C-N 3.28Å; T533-T535 PolarHBondContact O-N 2.83Å; T535-T538 PolarHBondContact O-N 2.96Å; T535-S569 WeakPolarHBondContact CG2-OG 3.37Å; T535-Y570 HydrophobicContact CG2-CD1 4.02Å; T535-Y570 HydrophobicContact CG2-CD2 4.46Å; T535-Y570 HydrophobicContact CG2-CE1 4.03Å; T535-Y570 HydrophobicContact CG2-CE2 4.47Å; T535-Y570 HydrophobicContact CG2-CG 4.23Å
536	L	89.2	Confident	81.7	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-72.8	-27.4	-178.2	-70.3	173.5	0	0	0	113.8	C488 F491 A532 T533 T538 I576	C488-L536 HydrophobicContact CB-CD1 4.37Å; F491-L536 HydrophobicContact CB-CD1 4.21Å; F491-L536 HydrophobicContact CD2-CD1 3.8Å; F491-L536 HydrophobicContact CD2-CD2 3.9Å; F491-L536 HydrophobicContact CD2-CG 4.29Å; F491-L536 HydrophobicContact CE2-CD2 3.9Å; F491-L536 HydrophobicContact CG-CD1 4.17Å; F491-L536 HydrophobicContact CG-CD2 4.31Å; F491-L536 HydrophobicContact CG-CG 4.45Å; F491-L536 HydrophobicContact CZ-CD2 4.32Å; A532-L536 WeakPolarHBondContact O-CB 3.46Å; A532-L536 WeakPolarHBondContact O-CG 3.33Å; A532-L536 PolarHBondContact O-N 3.44Å; T533-L536 PolarHBondContact O-N 3.09Å; L536-T538 VanDerWaalsContact C-N 3.3Å; L536-I576 HydrophobicContact CD2-CD1 4.29Å
537	T	88.9	Confident	79.8	Confident	33 Å²	33	55 Å²	55	20%	0.202	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	1.2	173.5	57.8	0	0	0	0	113.1	T533 I539	T533-T537 HydrophobicContact CG2-CG2 4.23Å; T533-T537 WeakPolarHBondContact O-CB 3.38Å; T533-T537 WeakPolarHBondContact O-CG2 3.44Å; T533-T537 PolarHBondContact O-N 2.98Å; T533-T537 PolarHBondContact O-OG1 3.23Å; T537-I539 PolarHBondContact O-N 2.94Å; T537-I539 VanDerWaalsContact O-N 3.16Å; T537-I539 WeakPolarHBondContact OG1-CD1 3.21Å; T537-I539 WeakPolarHBondContact OG1-CG1 3.49Å
538	T	86.9	Confident	78	Confident	61 Å²	61	54 Å²	54	37%	0.374	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	19.8	179.3	65.7	0	0	0	0	115.1	L534 T535 L536 G540 V574	L534-T538 PolarHBondContact O-N 3.43Å; T535-T538 PolarHBondContact O-N 2.96Å; L536-T538 VanDerWaalsContact C-N 3.3Å; T538-G540 VanDerWaalsContact C-N 3.33Å; T538-V574 HydrophobicContact CG2-CG2 3.78Å
539	I	87	Confident	76	Confident	115 Å²	115	59.8 Å²	59.8	59%	0.59	35%	0.352	S	S	*	.			trans	-68.1	-37.1	174.9	-62.9	172.4	0	0	0	110	L534 T537 D541	L534-I539 HydrophobicContact CD2-CB 3.85Å; L534-I539 HydrophobicContact CD2-CD1 4.2Å; L534-I539 HydrophobicContact CD2-CG2 3.73Å; L534-I539 PolarHBondContact O-N 3.28Å; L534-I539 VanDerWaalsContact O-N 3.09Å; T537-I539 PolarHBondContact O-N 2.94Å; T537-I539 VanDerWaalsContact O-N 3.16Å; T537-I539 WeakPolarHBondContact OG1-CD1 3.21Å; T537-I539 WeakPolarHBondContact OG1-CG1 3.49Å; I539-D541 VanDerWaalsContact C-N 3.25Å; I539-D541 PolarHBondContact O-N 3.44Å
540	G	71.2	Confident	73.9	Confident	29 Å²	29	65.2 Å²	65.2	30%	0.299	38%	0.382	S	S	.	.			trans	70.1	5.1	160.4	0	0	0	0	0	117.6	L534 T538 L542	L534-G540 PolarHBondContact O-N 3.48Å; T538-G540 VanDerWaalsContact C-N 3.33Å; G540-L542 PolarHBondContact O-N 3.29Å
541	D	69.3	Low	72	Confident	131 Å²	131	63.8 Å²	63.8	70%	0.701	38%	0.384	S	S	*	.			trans	-74.8	69.9	177.1	-169.2	27.7	0	0	0	111.9	I539	I539-D541 VanDerWaalsContact C-N 3.25Å; I539-D541 PolarHBondContact O-N 3.44Å
542	L	70.7	Confident	69.7	Low	42 Å²	42	74.3 Å²	74.3	22%	0.22	42%	0.423	C	S	.	.	S	Bend	trans	-129.5	154.5	175.6	-70.7	94.3	0	0	0	109.7	W531 L534 G540 S544	W531-L542 HydrophobicContact CB-CD2 4.41Å; W531-L542 HydrophobicContact CD2-CD2 4.33Å; W531-L542 HydrophobicContact CG-CD2 3.73Å; W531-L542 VanDerWaalsContact NE1-CD2 3.26Å; L534-L542 HydrophobicContact CB-CD1 3.6Å; L534-L542 HydrophobicContact CD1-CD1 3.75Å; L534-L542 HydrophobicContact CD1-CG 4.24Å; L534-L542 HydrophobicContact CG-CD1 4.35Å; G540-L542 PolarHBondContact O-N 3.29Å; L542-S544 PolarHBondContact O-N 2.98Å
543	S	65.4	Low	67.5	Low	82 Å²	82	77.2 Å²	77.2	57%	0.573	45%	0.453	S	S	*	.			trans	-50	117	171.5	38.8	0	0	0	0	109.8
544	S	62.5	Low	65.3	Low	104 Å²	104	84 Å²	84	73%	0.727	48%	0.482	S	S	*	.			trans	-54.1	142.5	176.6	-74.8	0	0	0	0	109.4	L542 S546	L542-S544 PolarHBondContact O-N 2.98Å; S544-S546 PolarHBondContact O-N 2.97Å
545	P	59	Low	63.3	Low	62 Å²	62	90.6 Å²	90.6	40%	0.403	52%	0.517	S	S	.	.			trans	-59.5	100.6	177.8	25.8	-34.9	0	0	0	109.1	S547 W562 L563	P545-S547 PolarHBondContact O-N 3.1Å; P545-W562 HydrophobicContact CB-CE3 4.42Å; P545-W562 HydrophobicContact CB-CH2 3.45Å; P545-W562 VanDerWaalsContact CB-CH2 3.45Å; P545-W562 HydrophobicContact CB-CZ3 3.32Å; P545-L563 HydrophobicContact CB-CD1 3.85Å; P545-L563 HydrophobicContact CG-CD1 4.03Å
546	S	56.6	Low	61.2	Low	62 Å²	62	94 Å²	94	43%	0.434	55%	0.552	S	S	.	*			trans	-59.5	125.3	177.9	51.9	0	0	0	0	108	S544 S548	S544-S546 PolarHBondContact O-N 2.97Å; S546-S548 PolarHBondContact O-N 3.47Å
547	S	52.4	Low	59.4	Low	90 Å²	90	100 Å²	100	63%	0.629	59%	0.594	S	S	*	*			trans	-49	130.3	178	46.1	0	0	0	0	109.7	P545 I549	P545-S547 PolarHBondContact O-N 3.1Å; S547-I549 PolarHBondContact O-N 3.32Å
548	S	51.3	Low	57.8	Low	67 Å²	67	103.1 Å²	103.1	47%	0.469	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.5	24.4	-174.6	46	0	0	0	0	114.8	S546	S546-S548 PolarHBondContact O-N 3.47Å
549	I	49.4	Very low	56.7	Low	122 Å²	122	102.8 Å²	102.8	63%	0.626	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-29.9	-176.5	-148.2	72.2	0	0	0	112.6	S547	S547-I549 PolarHBondContact O-N 3.32Å
550	D	49.2	Very low	56.2	Low	150 Å²	150	101.4 Å²	101.4	80%	0.802	61%	0.607	S	S	*	*	S	Bend	trans	-103.9	1.3	-170.9	-82	-15.3	0	0	0	116
551	I	50.3	Low	56.6	Low	116 Å²	116	103.8 Å²	103.8	60%	0.595	61%	0.612	S	S	*	*			trans	-102.4	63.9	164	-48.5	-177.2	0	0	0	109.1	P507 G553	P507-I551 HydrophobicContact CG-CD1 4.26Å; I551-G553 PolarHBondContact O-N 3.45Å
552	R	42	Very low	57.2	Low	233 Å²	233	98.3 Å²	98.3	88%	0.879	58%	0.582	S	S	*	*			trans	-74.5	58.2	169.5	-168	-178.9	-84.6	-153.7	-4	110.6	Q554	R552-Q554 VanDerWaalsContact C-N 3.31Å; R552-Q554 PolarHBondContact O-N 3.21Å
553	G	46.7	Very low	57.6	Low	60 Å²	60	99.1 Å²	99.1	62%	0.619	59%	0.586	S	S	*	*			trans	-82.6	53.3	-173.3	0	0	0	0	0	115.5	I551 N555	I551-G553 PolarHBondContact O-N 3.45Å; G553-N555 VanDerWaalsContact C-N 3.3Å; G553-N555 PolarHBondContact O-N 3.29Å
554	Q	43.8	Very low	58.6	Low	188 Å²	188	99 Å²	99	88%	0.879	58%	0.582	S	S	*	*	S	Bend	trans	52.6	-27.5	165.4	-69	-170.7	-6.5	0	0	122.3	R552	R552-Q554 VanDerWaalsContact C-N 3.31Å; R552-Q554 PolarHBondContact O-N 3.21Å
555	N	48.6	Very low	59.9	Low	153 Å²	153	95.3 Å²	95.3	82%	0.818	55%	0.553	S	S	*	*	S	Bend	trans	-131.7	93.8	-172.9	-78.1	-40.8	0	0	0	114.7	G553	G553-N555 VanDerWaalsContact C-N 3.3Å; G553-N555 PolarHBondContact O-N 3.29Å
556	G	45.5	Very low	61.2	Low	73 Å²	73	92.8 Å²	92.8	75%	0.753	54%	0.537	S	S	*	.	S	Bend	trans	55.6	104	145.7	0	0	0	0	0	120.4
557	S	51.2	Low	62.6	Low	127 Å²	127	94.2 Å²	94.2	89%	0.888	54%	0.538	S	S	*	.			trans	94.6	106.3	167.8	-46.8	0	0	0	0	116.3	S559	S557-S559 PolarHBondContact O-N 3.13Å
558	V	55.7	Low	64.5	Low	99 Å²	99	93 Å²	93	60%	0.6	53%	0.527	S	S	*	.			trans	-79.3	107.8	169.5	-177	0	0	0	0	108.7	N560	V558-N560 PolarHBondContact O-N 3.48Å; V558-N560 VanDerWaalsContact O-N 3.1Å
559	S	62.5	Low	66.3	Low	53 Å²	53	89.9 Å²	89.9	37%	0.371	51%	0.505	S	S	.	.			trans	-74.3	98.1	174	52.9	0	0	0	0	110.4	E502 S557 L561 W562	E502-S559 WeakPolarHBondContact OE1-CB 3.46Å; E502-S559 PolarHBondContact OE1-OG 3.19Å; S557-S559 PolarHBondContact O-N 3.13Å; S559-L561 PolarHBondContact O-N 3.33Å; S559-W562 PolarHBondContact O-NE1 3.35Å
560	N	76.6	Confident	68.2	Low	86 Å²	86	87.6 Å²	87.6	46%	0.46	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	13.4	169.4	-66	-30.5	0	0	0	112.8	V558 T564	V558-N560 PolarHBondContact O-N 3.48Å; V558-N560 VanDerWaalsContact O-N 3.1Å; N560-T564 WeakPolarHBondContact O-CB 3.41Å; N560-T564 PolarHBondContact O-N 3.41Å; N560-T564 PolarHBondContact O-OG1 3.27Å
561	L	80.1	Confident	70.2	Confident	80 Å²	80	85.2 Å²	85.2	42%	0.419	48%	0.476	S	S	.	.	H	α-helix	trans	-65.8	-48.3	-173.7	-178.7	64	0	0	0	111.6	I498 Y501 S559 L563 T564 F565	I498-L561 HydrophobicContact CG2-CD2 4.39Å; I498-L561 HydrophobicContact CG2-CG 4.48Å; Y501-L561 HydrophobicContact CD1-CD2 4.15Å; Y501-L561 HydrophobicContact CE1-CD2 4.35Å; S559-L561 PolarHBondContact O-N 3.33Å; L561-L563 PolarHBondContact O-N 3.47Å; L561-T564 PolarHBondContact O-N 3.36Å; L561-F565 WeakPolarHBondContact O-CB 3.31Å; L561-F565 PolarHBondContact O-N 3.2Å
562	W	80.9	Confident	72.2	Confident	16 Å²	16	82.8 Å²	82.8	6%	0.061	46%	0.463	C	S	.	.	H	α-helix	trans	-60.7	-41.2	178.1	67.7	-86.2	0	0	0	112.8	I498 E502 N506 W508 P545 S559 F565 T566	I498-W562 HydrophobicContact CG2-CB 4.38Å; E502-W562 VanDerWaalsContact OE1-CD1 3.3Å; N506-W562 PolarHBondContact ND2-NE1 3.3Å; W508-W562 HydrophobicContact CB-CD2 4.38Å; W508-W562 HydrophobicContact CB-CE3 3.53Å; W508-W562 HydrophobicContact CB-CH2 4.41Å; W508-W562 HydrophobicContact CB-CZ3 3.51Å; W508-W562 AromaticContact CD1-CE3 3.71Å; W508-W562 AromaticContact CD1-CZ3 3.84Å; W508-W562 HydrophobicContact CD2-CB 4.05Å; W508-W562 HydrophobicContact CD2-CD2 4.42Å; W508-W562 AromaticContact CD2-CE3 3.7Å; W508-W562 HydrophobicContact CD2-CE3 3.7Å; W508-W562 HydrophobicContact CD2-CZ3 4.48Å; W508-W562 HydrophobicContact CE3-CB 3.56Å; W508-W562 HydrophobicContact CE3-CE3 4.27Å; W508-W562 HydrophobicContact CE3-CG 4.34Å; W508-W562 HydrophobicContact CG-CD2 4.37Å; W508-W562 AromaticContact CG-CE3 3.36Å; W508-W562 HydrophobicContact CG-CE3 3.36Å; W508-W562 AromaticContact CG-CZ3 3.68Å; W508-W562 HydrophobicContact CG-CZ3 3.68Å; W508-W562 HydrophobicContact CH2-CB 4.04Å; W508-W562 HydrophobicContact CZ2-CB 4.46Å; W508-W562 HydrophobicContact CZ3-CB 3.57Å; P545-W562 HydrophobicContact CB-CE3 4.42Å; P545-W562 HydrophobicContact CB-CH2 3.45Å; P545-W562 VanDerWaalsContact CB-CH2 3.45Å; P545-W562 HydrophobicContact CB-CZ3 3.32Å; S559-W562 PolarHBondContact O-NE1 3.35Å; W562-F565 PolarHBondContact O-N 2.93Å; W562-T566 WeakPolarHBondContact O-CB 3.24Å; W562-T566 PolarHBondContact O-N 3.3Å; W562-T566 PolarHBondContact O-OG1 3.24Å
563	L	81	Confident	74.4	Confident	58 Å²	58	71.7 Å²	71.7	30%	0.304	42%	0.421	S	S	.	.	H	α-helix	trans	-66	-45.1	177.1	179.3	63.5	0	0	0	110.7	P545 L561 T566 I567	P545-L563 HydrophobicContact CB-CD1 3.85Å; P545-L563 HydrophobicContact CG-CD1 4.03Å; L561-L563 PolarHBondContact O-N 3.47Å; L563-T566 PolarHBondContact O-N 3.21Å; L563-I567 HydrophobicContact CD1-CD1 4.22Å; L563-I567 HydrophobicContact CG-CD1 4.1Å; L563-I567 WeakPolarHBondContact O-CG1 3.36Å; L563-I567 PolarHBondContact O-N 3.5Å
564	T	85.8	Confident	76.5	Confident	79 Å²	79	72.6 Å²	72.6	49%	0.485	42%	0.415	S	S	.	.	H	α-helix	trans	-61.4	-46.6	177	-54.5	0	0	0	0	110.9	N560 L561 T566 I567 V568	N560-T564 WeakPolarHBondContact O-CB 3.41Å; N560-T564 PolarHBondContact O-N 3.41Å; N560-T564 PolarHBondContact O-OG1 3.27Å; L561-T564 PolarHBondContact O-N 3.36Å; T564-T566 VanDerWaalsContact C-N 3.34Å; T564-T566 PolarHBondContact O-N 3.5Å; T564-I567 PolarHBondContact O-N 3.39Å; T564-V568 WeakPolarHBondContact O-CB 3.38Å; T564-V568 VanDerWaalsContact O-CG2 3.3Å; T564-V568 WeakPolarHBondContact O-CG2 3.47Å; T564-V568 PolarHBondContact O-N 2.89Å
565	F	88.8	Confident	78.8	Confident	27 Å²	27	70.5 Å²	70.5	12%	0.118	40%	0.403	C	S	.	.	H	α-helix	trans	-59.7	-43.1	175.3	175.5	-104.7	0	0	0	111.8	F491 F494 I498 W508 W531 L561 W562 V568 S569	F491-F565 HydrophobicContact CD1-CE2 4.16Å; F491-F565 AromaticContact CD1-CZ 3.89Å; F491-F565 HydrophobicContact CD1-CZ 3.89Å; F491-F565 HydrophobicContact CE1-CE2 4.33Å; F491-F565 HydrophobicContact CE1-CZ 4.47Å; F494-F565 HydrophobicContact CB-CE2 3.67Å; F494-F565 HydrophobicContact CB-CZ 3.64Å; F494-F565 HydrophobicContact CG-CE2 4.38Å; I498-F565 HydrophobicContact CD1-CB 3.76Å; I498-F565 HydrophobicContact CD1-CD1 3.66Å; I498-F565 HydrophobicContact CD1-CD2 3.62Å; I498-F565 HydrophobicContact CD1-CE1 4.12Å; I498-F565 HydrophobicContact CD1-CE2 4.09Å; I498-F565 HydrophobicContact CD1-CG 3.38Å; I498-F565 HydrophobicContact CD1-CZ 4.31Å; W508-F565 AromaticContact CH2-CD1 3.79Å; W508-F565 HydrophobicContact CH2-CD1 3.79Å; W508-F565 HydrophobicContact CH2-CE1 4.25Å; W508-F565 AromaticContact CZ2-CD1 3.82Å; W508-F565 HydrophobicContact CZ2-CD1 3.82Å; W508-F565 HydrophobicContact CZ2-CE1 4.29Å; W531-F565 HydrophobicContact CH2-CD1 4.12Å; W531-F565 AromaticContact CH2-CE1 3.59Å; W531-F565 HydrophobicContact CH2-CE1 3.59Å; W531-F565 AromaticContact CZ3-CE1 3.75Å; W531-F565 HydrophobicContact CZ3-CE1 3.75Å; W531-F565 HydrophobicContact CZ3-CZ 4.36Å; L561-F565 WeakPolarHBondContact O-CB 3.31Å; L561-F565 PolarHBondContact O-N 3.2Å; W562-F565 PolarHBondContact O-N 2.93Å; F565-V568 PolarHBondContact O-N 2.96Å; F565-S569 WeakPolarHBondContact O-CB 3.28Å; F565-S569 PolarHBondContact O-N 3.34Å; F565-S569 PolarHBondContact O-OG 3.45Å; F565-S569 VanDerWaalsContact O-OG 3.07Å
566	T	86.2	Confident	80.6	Confident	10 Å²	10	65.5 Å²	65.5	6%	0.061	38%	0.376	C	S	.	.	H	α-helix	trans	-61.9	-45.5	178.2	-59.9	0	0	0	0	112.1	W508 W562 L563 T564 S569 Y570	W508-T566 VanDerWaalsContact CE2-OG1 3.24Å; W508-T566 VanDerWaalsContact CZ2-OG1 3.32Å; W508-T566 WeakPolarHBondContact CZ2-OG1 3.43Å; W508-T566 PolarHBondContact NE1-OG1 3.28Å; W562-T566 WeakPolarHBondContact O-CB 3.24Å; W562-T566 PolarHBondContact O-N 3.3Å; W562-T566 PolarHBondContact O-OG1 3.24Å; L563-T566 PolarHBondContact O-N 3.21Å; T564-T566 VanDerWaalsContact C-N 3.34Å; T564-T566 PolarHBondContact O-N 3.5Å; T566-S569 WeakPolarHBondContact CA-OG 3.46Å; T566-S569 PolarHBondContact O-N 3.28Å; T566-S569 PolarHBondContact O-OG 2.89Å; T566-Y570 HydrophobicContact CG2-CD2 3.79Å; T566-Y570 HydrophobicContact CG2-CE2 3.66Å; T566-Y570 VanDerWaalsContact O-CD2 3.24Å; T566-Y570 WeakPolarHBondContact O-CD2 3.34Å; T566-Y570 PolarHBondContact O-N 3.41Å
567	I	87.5	Confident	82.6	Confident	92 Å²	92	66.3 Å²	66.3	47%	0.472	36%	0.359	S	S	.	.	H	α-helix	trans	-62.6	-46	176.7	-67	165.3	0	0	0	110.3	L563 T564 Y570 L571	L563-I567 HydrophobicContact CD1-CD1 4.22Å; L563-I567 HydrophobicContact CG-CD1 4.1Å; L563-I567 WeakPolarHBondContact O-CG1 3.36Å; L563-I567 PolarHBondContact O-N 3.5Å; T564-I567 PolarHBondContact O-N 3.39Å; I567-Y570 PolarHBondContact O-N 2.83Å; I567-L571 HydrophobicContact CG2-CD1 4.15Å; I567-L571 WeakPolarHBondContact O-CG 3.36Å; I567-L571 PolarHBondContact O-N 3.03Å
568	V	90.8	Very high	84.4	Confident	65 Å²	65	63.1 Å²	63.1	39%	0.394	34%	0.34	S	S	.	.	H	α-helix	trans	-64.2	-40.6	178.2	170.7	0	0	0	0	111.5	T564 F565 L571 I572	T564-V568 WeakPolarHBondContact O-CB 3.38Å; T564-V568 VanDerWaalsContact O-CG2 3.3Å; T564-V568 WeakPolarHBondContact O-CG2 3.47Å; T564-V568 PolarHBondContact O-N 2.89Å; F565-V568 PolarHBondContact O-N 2.96Å; V568-L571 PolarHBondContact O-N 2.79Å; V568-I572 HydrophobicContact CG1-CD1 3.63Å; V568-I572 HydrophobicContact CG1-CG1 4.4Å; V568-I572 WeakPolarHBondContact O-CB 3.3Å; V568-I572 VanDerWaalsContact O-CG1 3.29Å; V568-I572 WeakPolarHBondContact O-CG1 3.25Å; V568-I572 PolarHBondContact O-N 3.02Å
569	S	89.9	Confident	86	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-67.3	-36.5	177.4	58.5	0	0	0	0	112.8	F491 T535 F565 T566 G573	F491-S569 VanDerWaalsContact CE1-CB 3.46Å; T535-S569 WeakPolarHBondContact CG2-OG 3.37Å; F565-S569 WeakPolarHBondContact O-CB 3.28Å; F565-S569 PolarHBondContact O-N 3.34Å; F565-S569 PolarHBondContact O-OG 3.45Å; F565-S569 VanDerWaalsContact O-OG 3.07Å; T566-S569 WeakPolarHBondContact CA-OG 3.46Å; T566-S569 PolarHBondContact O-N 3.28Å; T566-S569 PolarHBondContact O-OG 2.89Å; S569-G573 PolarHBondContact O-N 2.91Å
570	Y	89	Confident	87.1	Confident	75 Å²	75	61.3 Å²	61.3	29%	0.294	33%	0.326	S	S	.	.	H	α-helix	trans	-67.5	-44.2	173.2	-85.3	-60.9	0	0	0	112	T535 T566 I567 I572 G573 V574	T535-Y570 HydrophobicContact CG2-CD1 4.02Å; T535-Y570 HydrophobicContact CG2-CD2 4.46Å; T535-Y570 HydrophobicContact CG2-CE1 4.03Å; T535-Y570 HydrophobicContact CG2-CE2 4.47Å; T535-Y570 HydrophobicContact CG2-CG 4.23Å; T566-Y570 HydrophobicContact CG2-CD2 3.79Å; T566-Y570 HydrophobicContact CG2-CE2 3.66Å; T566-Y570 VanDerWaalsContact O-CD2 3.24Å; T566-Y570 WeakPolarHBondContact O-CD2 3.34Å; T566-Y570 PolarHBondContact O-N 3.41Å; I567-Y570 PolarHBondContact O-N 2.83Å; Y570-I572 PolarHBondContact O-N 2.97Å; Y570-G573 PolarHBondContact O-N 2.97Å; Y570-V574 WeakPolarHBondContact O-CG2 3.47Å; Y570-V574 PolarHBondContact O-N 3.2Å
571	L	91.4	Very high	87.6	Confident	99 Å²	99	61.1 Å²	61.1	52%	0.518	33%	0.327	S	S	.	.	H	α-helix	trans	-59.6	-48.4	176.1	-72.1	171.8	0	0	0	111.4	I567 V568 G573 V574 F575	I567-L571 HydrophobicContact CG2-CD1 4.15Å; I567-L571 WeakPolarHBondContact O-CG 3.36Å; I567-L571 PolarHBondContact O-N 3.03Å; V568-L571 PolarHBondContact O-N 2.79Å; L571-G573 VanDerWaalsContact C-N 3.34Å; L571-G573 PolarHBondContact O-N 3.4Å; L571-V574 PolarHBondContact O-N 2.97Å; L571-F575 WeakPolarHBondContact O-CD2 3.29Å; L571-F575 PolarHBondContact O-N 2.75Å
572	I	91.4	Very high	88.1	Confident	65 Å²	65	59 Å²	59	33%	0.333	33%	0.325	S	S	.	.	H	α-helix	trans	-62.9	-41.4	176.7	-68.2	168.8	0	0	0	110.9	F491 V568 Y570 V574 F575 I576	F491-I572 HydrophobicContact CE2-CG2 4.05Å; F491-I572 HydrophobicContact CZ-CB 4.14Å; F491-I572 HydrophobicContact CZ-CD1 3.94Å; F491-I572 HydrophobicContact CZ-CG2 3.79Å; V568-I572 HydrophobicContact CG1-CD1 3.63Å; V568-I572 HydrophobicContact CG1-CG1 4.4Å; V568-I572 WeakPolarHBondContact O-CB 3.3Å; V568-I572 VanDerWaalsContact O-CG1 3.29Å; V568-I572 WeakPolarHBondContact O-CG1 3.25Å; V568-I572 PolarHBondContact O-N 3.02Å; Y570-I572 PolarHBondContact O-N 2.97Å; I572-V574 PolarHBondContact O-N 2.72Å; I572-F575 PolarHBondContact O-N 2.79Å; I572-I576 HydrophobicContact CG2-CD1 3.55Å; I572-I576 HydrophobicContact CG2-CG1 4.16Å; I572-I576 WeakPolarHBondContact O-CB 3.44Å; I572-I576 WeakPolarHBondContact O-CG1 3.34Å; I572-I576 PolarHBondContact O-N 3.35Å
573	G	89.4	Confident	88.3	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-57.2	-47.6	175.7	0	0	0	0	0	113	S569 Y570 L571 F575 I576 F577	S569-G573 PolarHBondContact O-N 2.91Å; Y570-G573 PolarHBondContact O-N 2.97Å; L571-G573 VanDerWaalsContact C-N 3.34Å; L571-G573 PolarHBondContact O-N 3.4Å; G573-F575 PolarHBondContact O-N 3.14Å; G573-I576 PolarHBondContact O-N 3.44Å; G573-F577 WeakPolarHBondContact O-CB 3.37Å; G573-F577 PolarHBondContact O-N 2.92Å
574	V	91	Very high	88.6	Confident	80 Å²	80	62.4 Å²	62.4	49%	0.485	34%	0.344	S	S	.	.	H	α-helix	trans	-58.1	-45.4	176.3	171	0	0	0	0	111.5	T538 Y570 L571 I572 A578	T538-V574 HydrophobicContact CG2-CG2 3.78Å; Y570-V574 WeakPolarHBondContact O-CG2 3.47Å; Y570-V574 PolarHBondContact O-N 3.2Å; L571-V574 PolarHBondContact O-N 2.97Å; I572-V574 PolarHBondContact O-N 2.72Å; V574-A578 WeakPolarHBondContact O-CB 3.24Å; V574-A578 PolarHBondContact O-N 2.85Å
575	F	90.6	Very high	88.7	Confident	144 Å²	144	60 Å²	60	63%	0.632	34%	0.335	S	S	*	.	H	α-helix	trans	-67.1	-42.6	177.4	-71.6	-64.5	0	0	0	112.7	L571 I572 G573 T579	L571-F575 WeakPolarHBondContact O-CD2 3.29Å; L571-F575 PolarHBondContact O-N 2.75Å; I572-F575 PolarHBondContact O-N 2.79Å; G573-F575 PolarHBondContact O-N 3.14Å; F575-T579 WeakPolarHBondContact O-CG2 3.32Å; F575-T579 PolarHBondContact O-N 3.46Å; F575-T579 PolarHBondContact O-OG1 3.18Å
576	I	87.8	Confident	88.6	Confident	48 Å²	48	61.7 Å²	61.7	25%	0.246	35%	0.345	C	S	.	.	H	α-helix	trans	-62	-48.7	176.8	-71.6	174.7	0	0	0	110.2	L484 L536 I572 G573 A578 T579 I580	L484-I576 HydrophobicContact CD1-CG2 4.23Å; L536-I576 HydrophobicContact CD2-CD1 4.29Å; I572-I576 HydrophobicContact CG2-CD1 3.55Å; I572-I576 HydrophobicContact CG2-CG1 4.16Å; I572-I576 WeakPolarHBondContact O-CB 3.44Å; I572-I576 WeakPolarHBondContact O-CG1 3.34Å; I572-I576 PolarHBondContact O-N 3.35Å; G573-I576 PolarHBondContact O-N 3.44Å; I576-A578 PolarHBondContact O-N 3.29Å; I576-T579 PolarHBondContact O-N 3.39Å; I576-T579 PolarHBondContact O-OG1 3.01Å; I576-I580 HydrophobicContact CG2-CD1 3.7Å; I576-I580 HydrophobicContact CG2-CG1 4.49Å; I576-I580 VanDerWaalsContact O-CG1 3.26Å; I576-I580 WeakPolarHBondContact O-CG1 3.34Å; I576-I580 PolarHBondContact O-N 3.43Å
577	F	86.2	Confident	88.5	Confident	90 Å²	90	62.2 Å²	62.2	40%	0.395	35%	0.347	S	S	.	.	H	α-helix	trans	-64.4	-43.4	-179.9	-170.7	-107.1	0	0	0	112.1	G573 T579 I580 V581	G573-F577 WeakPolarHBondContact O-CB 3.37Å; G573-F577 PolarHBondContact O-N 2.92Å; F577-T579 PolarHBondContact O-N 3.08Å; F577-I580 PolarHBondContact O-N 2.99Å; F577-V581 HydrophobicContact CD1-CG2 4.32Å; F577-V581 HydrophobicContact CE1-CG2 3.95Å; F577-V581 HydrophobicContact CE2-CG2 4.37Å; F577-V581 HydrophobicContact CZ-CG2 3.97Å; F577-V581 WeakPolarHBondContact O-CG2 3.4Å; F577-V581 PolarHBondContact O-N 3.47Å
578	A	90.7	Very high	88.3	Confident	60 Å²	60	62.2 Å²	62.2	50%	0.496	35%	0.347	S	S	.	.	H	α-helix	trans	-61.4	-41.5	176.1	0	0	0	0	0	112.7	V574 I576 G582	V574-A578 WeakPolarHBondContact O-CB 3.24Å; V574-A578 PolarHBondContact O-N 2.85Å; I576-A578 PolarHBondContact O-N 3.29Å; A578-G582 PolarHBondContact O-N 2.94Å
579	T	87.8	Confident	88.1	Confident	85 Å²	85	63.3 Å²	63.3	52%	0.521	35%	0.354	S	S	.	.	H	α-helix	trans	-67.8	-38.1	175.9	54.9	0	0	0	0	112.1	F575 I576 F577 G582 Q583	F575-T579 WeakPolarHBondContact O-CG2 3.32Å; F575-T579 PolarHBondContact O-N 3.46Å; F575-T579 PolarHBondContact O-OG1 3.18Å; I576-T579 PolarHBondContact O-N 3.39Å; I576-T579 PolarHBondContact O-OG1 3.01Å; F577-T579 PolarHBondContact O-N 3.08Å; T579-G582 PolarHBondContact O-N 2.94Å; T579-Q583 WeakPolarHBondContact O-CB 3.44Å; T579-Q583 VanDerWaalsContact O-CG 3.25Å; T579-Q583 WeakPolarHBondContact O-CG 3.49Å; T579-Q583 PolarHBondContact O-N 2.95Å
580	I	87	Confident	87.6	Confident	29 Å²	29	67.1 Å²	67.1	15%	0.149	38%	0.377	C	S	.	.	H	α-helix	trans	-59.9	-52.1	174.7	-71	165.4	0	0	0	110.8	L480 L484 I576 F577 G582 Q583 V584	L480-I580 HydrophobicContact CD1-CG1 3.85Å; L480-I580 HydrophobicContact CD2-CB 4.38Å; L480-I580 HydrophobicContact CD2-CG1 4.35Å; L480-I580 HydrophobicContact CD2-CG2 4.07Å; L480-I580 HydrophobicContact CG-CG1 4.03Å; L480-I580 HydrophobicContact CG-CG2 4.48Å; L484-I580 HydrophobicContact CB-CD1 4.17Å; L484-I580 HydrophobicContact CD1-CD1 3.96Å; L484-I580 HydrophobicContact CD2-CD1 4.14Å; L484-I580 HydrophobicContact CG-CD1 4.31Å; I576-I580 HydrophobicContact CG2-CD1 3.7Å; I576-I580 HydrophobicContact CG2-CG1 4.49Å; I576-I580 VanDerWaalsContact O-CG1 3.26Å; I576-I580 WeakPolarHBondContact O-CG1 3.34Å; I576-I580 PolarHBondContact O-N 3.43Å; F577-I580 PolarHBondContact O-N 2.99Å; I580-G582 VanDerWaalsContact C-N 3.32Å; I580-G582 PolarHBondContact O-N 3.16Å; I580-Q583 PolarHBondContact O-N 2.8Å; I580-V584 WeakPolarHBondContact O-CG2 3.38Å; I580-V584 PolarHBondContact O-N 3.37Å
581	V	87.4	Confident	87	Confident	81 Å²	81	72.4 Å²	72.4	49%	0.491	40%	0.397	S	S	.	.	H	α-helix	trans	-61	-41.4	179.2	174.3	0	0	0	0	111.1	F577 G585	F577-V581 HydrophobicContact CD1-CG2 4.32Å; F577-V581 HydrophobicContact CE1-CG2 3.95Å; F577-V581 HydrophobicContact CE2-CG2 4.37Å; F577-V581 HydrophobicContact CZ-CG2 3.97Å; F577-V581 WeakPolarHBondContact O-CG2 3.4Å; F577-V581 PolarHBondContact O-N 3.47Å; V581-G585 PolarHBondContact O-N 3.05Å
582	G	89.3	Confident	86.6	Confident	36 Å²	36	71.2 Å²	71.2	37%	0.371	39%	0.391	S	S	.	.	H	α-helix	trans	-62.6	-44	175.7	0	0	0	0	0	113.7	A578 T579 I580 G585 N586	A578-G582 PolarHBondContact O-N 2.94Å; T579-G582 PolarHBondContact O-N 2.94Å; I580-G582 VanDerWaalsContact C-N 3.32Å; I580-G582 PolarHBondContact O-N 3.16Å; G582-G585 PolarHBondContact O-N 3.35Å; G582-N586 PolarHBondContact O-N 3.35Å
583	Q	86.2	Confident	86.2	Confident	90 Å²	90	70.3 Å²	70.3	42%	0.421	39%	0.393	S	S	.	.	H	α-helix	trans	-67.8	-42	178	-69.5	-64.7	-17	0	0	112	L480 T579 I580 G585 N586 I587	L480-Q583 HydrophobicContact CD2-CB 4.05Å; T579-Q583 WeakPolarHBondContact O-CB 3.44Å; T579-Q583 VanDerWaalsContact O-CG 3.25Å; T579-Q583 WeakPolarHBondContact O-CG 3.49Å; T579-Q583 PolarHBondContact O-N 2.95Å; I580-Q583 PolarHBondContact O-N 2.8Å; Q583-G585 VanDerWaalsContact C-N 3.33Å; Q583-G585 PolarHBondContact O-N 2.88Å; Q583-N586 PolarHBondContact O-N 3.44Å; Q583-I587 VanDerWaalsContact O-CG1 3.3Å; Q583-I587 WeakPolarHBondContact O-CG1 3.24Å; Q583-I587 PolarHBondContact O-N 3.08Å
584	V	86.7	Confident	85.6	Confident	56 Å²	56	75.7 Å²	75.7	34%	0.339	42%	0.418	S	S	.	.	H	α-helix	trans	-61.6	-42.7	174.2	172.6	0	0	0	0	110.6	L480 I580 N586 I587 I588	L480-V584 HydrophobicContact CD2-CG2 4.07Å; I580-V584 WeakPolarHBondContact O-CG2 3.38Å; I580-V584 PolarHBondContact O-N 3.37Å; V584-N586 PolarHBondContact O-N 3.09Å; V584-I587 PolarHBondContact O-N 3.24Å; V584-I588 HydrophobicContact CG1-CD1 3.92Å; V584-I588 WeakPolarHBondContact O-CG1 3.37Å; V584-I588 PolarHBondContact O-N 3.09Å
585	G	87.2	Confident	85.1	Confident	29 Å²	29	78.6 Å²	78.6	30%	0.299	42%	0.42	S	S	.	.	H	α-helix	trans	-56.8	-48.3	173	0	0	0	0	0	113	V581 G582 Q583 I587 I588 T589	V581-G585 PolarHBondContact O-N 3.05Å; G582-G585 PolarHBondContact O-N 3.35Å; Q583-G585 VanDerWaalsContact C-N 3.33Å; Q583-G585 PolarHBondContact O-N 2.88Å; G585-I587 VanDerWaalsContact C-N 3.3Å; G585-I587 PolarHBondContact O-N 3.4Å; G585-I588 PolarHBondContact O-N 3.26Å; G585-T589 PolarHBondContact O-N 2.94Å; G585-T589 PolarHBondContact O-OG1 3.27Å
586	N	87	Confident	84.9	Confident	62 Å²	62	75.7 Å²	75.7	33%	0.332	42%	0.415	S	S	.	.	H	α-helix	trans	-61.8	-34.5	176.8	-74.4	-15.7	0	0	0	113.1	Y166 G582 Q583 V584 T589 T590	Y166-N586 PolarHBondContact OH-ND2 2.93Å; G582-N586 PolarHBondContact O-N 3.35Å; Q583-N586 PolarHBondContact O-N 3.44Å; V584-N586 PolarHBondContact O-N 3.09Å; N586-T589 PolarHBondContact O-OG1 2.74Å; N586-T589 VanDerWaalsContact O-OG1 3.06Å; N586-T590 VanDerWaalsContact O-CB 3.29Å; N586-T590 WeakPolarHBondContact O-CB 3.46Å; N586-T590 PolarHBondContact O-N 3.48Å; N586-T590 PolarHBondContact O-OG1 3Å
587	I	83.9	Confident	84.8	Confident	20 Å²	20	79.1 Å²	79.1	10%	0.103	43%	0.43	C	S	.	.	H	α-helix	trans	-70.2	-40.9	176.6	-69.5	166.2	0	0	0	110.7	N473 R476 V477 Q583 V584 G585 T590 R591	N473-I587 HydrophobicContact CB-CG2 3.89Å; R476-I587 HydrophobicContact CB-CD1 3.87Å; V477-I587 HydrophobicContact CG2-CD1 3.82Å; Q583-I587 VanDerWaalsContact O-CG1 3.3Å; Q583-I587 WeakPolarHBondContact O-CG1 3.24Å; Q583-I587 PolarHBondContact O-N 3.08Å; V584-I587 PolarHBondContact O-N 3.24Å; G585-I587 VanDerWaalsContact C-N 3.3Å; G585-I587 PolarHBondContact O-N 3.4Å; I587-T590 PolarHBondContact O-N 3.2Å; I587-R591 WeakPolarHBondContact O-CB 3.36Å; I587-R591 PolarHBondContact O-N 3.33Å
588	I	84.1	Confident	84.7	Confident	92 Å²	92	75.7 Å²	75.7	47%	0.472	42%	0.415	S	S	.	.	H	α-helix	trans	-64	-47.4	176.6	-67.6	165.1	0	0	0	110.9	V584 G585 T590 R591 N592	V584-I588 HydrophobicContact CG1-CD1 3.92Å; V584-I588 WeakPolarHBondContact O-CG1 3.37Å; V584-I588 PolarHBondContact O-N 3.09Å; G585-I588 PolarHBondContact O-N 3.26Å; I588-T590 PolarHBondContact O-N 3Å; I588-R591 PolarHBondContact O-N 3.46Å; I588-N592 WeakPolarHBondContact O-CB 3.34Å; I588-N592 PolarHBondContact O-N 3.01Å
589	T	85.8	Confident	84.6	Confident	89 Å²	89	76.2 Å²	76.2	55%	0.546	41%	0.407	S	S	.	.	H	α-helix	trans	-64.6	-41.1	178.3	57.1	0	0	0	0	111.7	G585 N586 N592 A593	G585-T589 PolarHBondContact O-N 2.94Å; G585-T589 PolarHBondContact O-OG1 3.27Å; N586-T589 PolarHBondContact O-OG1 2.74Å; N586-T589 VanDerWaalsContact O-OG1 3.06Å; T589-N592 PolarHBondContact O-N 2.87Å; T589-A593 PolarHBondContact O-N 2.87Å
590	T	80.5	Confident	84.7	Confident	79 Å²	79	79 Å²	79	49%	0.485	41%	0.412	S	S	.	.	H	α-helix	trans	-63.5	-42.5	176.3	-56.8	0	0	0	0	111.7	N586 I587 I588 N592 A593	N586-T590 VanDerWaalsContact O-CB 3.29Å; N586-T590 WeakPolarHBondContact O-CB 3.46Å; N586-T590 PolarHBondContact O-N 3.48Å; N586-T590 PolarHBondContact O-OG1 3Å; I587-T590 PolarHBondContact O-N 3.2Å; I588-T590 PolarHBondContact O-N 3Å; T590-N592 VanDerWaalsContact C-N 3.34Å; T590-N592 PolarHBondContact O-N 3.37Å; T590-A593 WeakPolarHBondContact O-CB 3.45Å; T590-A593 PolarHBondContact O-N 2.99Å
591	R	75.7	Confident	84.8	Confident	186 Å²	186	81.4 Å²	81.4	70%	0.702	42%	0.424	S	S	*	.	H	α-helix	trans	-64.6	-37.1	177.5	-177.2	174.7	-179.9	157.8	0.9	112.4	I587 I588	I587-R591 WeakPolarHBondContact O-CB 3.36Å; I587-R591 PolarHBondContact O-N 3.33Å; I588-R591 PolarHBondContact O-N 3.46Å
592	N	82.6	Confident	84.9	Confident	74 Å²	74	78.3 Å²	78.3	40%	0.396	41%	0.405	S	S	.	.	H	α-helix	trans	-89	-5.6	-178.1	-69.2	-16	0	0	0	113.9	I588 T589 T590 H594 R595 T596	I588-N592 WeakPolarHBondContact O-CB 3.34Å; I588-N592 PolarHBondContact O-N 3.01Å; T589-N592 PolarHBondContact O-N 2.87Å; T590-N592 VanDerWaalsContact C-N 3.34Å; T590-N592 PolarHBondContact O-N 3.37Å; N592-H594 PolarHBondContact O-N 3.39Å; N592-R595 WeakPolarHBondContact O-CB 3.25Å; N592-R595 PolarHBondContact O-N 2.98Å; N592-T596 PolarHBondContact O-N 2.94Å; N592-T596 PolarHBondContact O-OG1 2.78Å
593	A	82.8	Confident	85.1	Confident	46 Å²	46	80.2 Å²	80.2	38%	0.38	41%	0.407	S	S	.	.	H	α-helix	trans	-50.8	-51.4	-172.6	0	0	0	0	0	113.9	T589 T590 R595 T596 E597	T589-A593 PolarHBondContact O-N 2.87Å; T590-A593 WeakPolarHBondContact O-CB 3.45Å; T590-A593 PolarHBondContact O-N 2.99Å; A593-R595 VanDerWaalsContact C-N 3.29Å; A593-R595 PolarHBondContact O-N 3.39Å; A593-T596 PolarHBondContact O-N 3.4Å; A593-E597 WeakPolarHBondContact O-CB 3.42Å; A593-E597 PolarHBondContact O-N 3.48Å
594	H	77.4	Confident	85.4	Confident	114 Å²	114	80.7 Å²	80.7	53%	0.528	41%	0.412	S	S	.	.	H	α-helix	trans	-61.3	-35.6	179.3	-68.1	-65.3	0	0	0	113.4	N592 F598	N592-H594 PolarHBondContact O-N 3.39Å; H594-F598 PolarHBondContact O-N 2.91Å; H594-F598 VanDerWaalsContact O-N 3.09Å
595	R	81.3	Confident	85.7	Confident	140 Å²	140	78.8 Å²	78.8	53%	0.528	40%	0.402	S	S	.	.	H	α-helix	trans	-70.9	-46.2	177.4	178.9	177.4	171.1	163.3	3.3	110.4	N592 A593 E597 F598 E599 W630	N592-R595 WeakPolarHBondContact O-CB 3.25Å; N592-R595 PolarHBondContact O-N 2.98Å; A593-R595 VanDerWaalsContact C-N 3.29Å; A593-R595 PolarHBondContact O-N 3.39Å; R595-E597 VanDerWaalsContact C-N 3.29Å; R595-E597 PolarHBondContact O-N 2.84Å; R595-F598 PolarHBondContact O-N 2.74Å; R595-E599 HydrophobicContact CG-CG 4.35Å; R595-E599 IonicContact CZ-OE1 3.65Å; R595-E599 VanDerWaalsContact CZ-OE1 3.29Å; R595-E599 IonicContact NE-OE1 3.75Å; R595-E599 PolarHBondContact NE-OE1 3.11Å; R595-E599 IonicContact NE-OE2 3.36Å; R595-E599 IonicContact NH2-OE1 2.79Å; R595-E599 PolarHBondContact NH2-OE1 3.13Å; R595-E599 WeakPolarHBondContact O-CB 3.26Å; R595-E599 WeakPolarHBondContact O-CG 3.3Å; R595-E599 PolarHBondContact O-N 3.07Å; R595-W630 HydrophobicContact CB-CH2 4.35Å; R595-W630 HydrophobicContact CB-CZ2 4.42Å
596	T	86.2	Confident	86	Confident	83 Å²	83	80.7 Å²	80.7	51%	0.509	40%	0.402	S	S	.	.	H	α-helix	trans	-62.1	-36.3	176.7	-52.9	0	0	0	0	112	N592 A593 K600	N592-T596 PolarHBondContact O-N 2.94Å; N592-T596 PolarHBondContact O-OG1 2.78Å; A593-T596 PolarHBondContact O-N 3.4Å; T596-K600 VanDerWaalsContact O-CB 3.28Å; T596-K600 WeakPolarHBondContact O-CB 3.46Å; T596-K600 PolarHBondContact O-N 3.07Å
597	E	84	Confident	86.4	Confident	121 Å²	121	79 Å²	79	57%	0.565	40%	0.395	S	S	*	.	H	α-helix	trans	-65.9	-46.5	174.5	-176.9	168.9	-151.4	0	0	112	A593 R595 K600 I601	A593-E597 WeakPolarHBondContact O-CB 3.42Å; A593-E597 PolarHBondContact O-N 3.48Å; R595-E597 VanDerWaalsContact C-N 3.29Å; R595-E597 PolarHBondContact O-N 2.84Å; E597-K600 WeakPolarHBondContact O-CB 2.93Å; E597-K600 PolarHBondContact O-N 3.27Å; E597-I601 HydrophobicContact CG-CD1 4.35Å; E597-I601 WeakPolarHBondContact O-CG1 3.35Å; E597-I601 PolarHBondContact O-N 3.4Å
598	F	85.4	Confident	86.9	Confident	18 Å²	18	84.2 Å²	84.2	8%	0.079	41%	0.414	C	S	.	.	H	α-helix	trans	-63.8	-46.1	175.5	178.3	-96.2	0	0	0	112.5	H594 R595 K600 I601 L602 Y626 W630	H594-F598 PolarHBondContact O-N 2.91Å; H594-F598 VanDerWaalsContact O-N 3.09Å; R595-F598 PolarHBondContact O-N 2.74Å; F598-K600 VanDerWaalsContact C-N 3.27Å; F598-K600 PolarHBondContact O-N 3.08Å; F598-I601 PolarHBondContact O-N 3.28Å; F598-I601 VanDerWaalsContact O-N 3.11Å; F598-L602 HydrophobicContact CE1-CD2 4.15Å; F598-L602 WeakPolarHBondContact O-CB 3.49Å; F598-L602 PolarHBondContact O-N 3.44Å; F598-Y626 AromaticContact CE2-CD1 3.93Å; F598-Y626 HydrophobicContact CE2-CD1 3.93Å; F598-Y626 HydrophobicContact CZ-CD1 4.08Å; F598-Y626 WeakPolarHBondContact CZ-O 3.35Å; F598-W630 HydrophobicContact CB-CE3 3.74Å; F598-W630 HydrophobicContact CB-CH2 4.08Å; F598-W630 HydrophobicContact CB-CZ3 3.44Å; F598-W630 VanDerWaalsContact CB-CZ3 3.44Å; F598-W630 AromaticContact CD1-CD2 3.87Å; F598-W630 HydrophobicContact CD1-CD2 3.87Å; F598-W630 AromaticContact CD1-CE3 3.75Å; F598-W630 HydrophobicContact CD1-CE3 3.75Å; F598-W630 HydrophobicContact CD1-CG 4.26Å; F598-W630 HydrophobicContact CD1-CZ3 4.23Å; F598-W630 HydrophobicContact CD2-CD2 4.28Å; F598-W630 AromaticContact CD2-CE3 3.52Å; F598-W630 HydrophobicContact CD2-CE3 3.52Å; F598-W630 HydrophobicContact CD2-CZ3 4.09Å; F598-W630 HydrophobicContact CE1-CB 3.97Å; F598-W630 HydrophobicContact CE1-CD2 4.09Å; F598-W630 HydrophobicContact CE1-CE3 4.26Å; F598-W630 AromaticContact CE1-CG 3.98Å; F598-W630 HydrophobicContact CE1-CG 3.98Å; F598-W630 HydrophobicContact CE2-CB 3.95Å; F598-W630 HydrophobicContact CE2-CD2 4.47Å; F598-W630 HydrophobicContact CE2-CE3 4.05Å; F598-W630 HydrophobicContact CE2-CG 4.48Å; F598-W630 AromaticContact CG-CD2 3.98Å; F598-W630 HydrophobicContact CG-CD2 3.98Å; F598-W630 AromaticContact CG-CE3 3.36Å; F598-W630 HydrophobicContact CG-CE3 3.36Å; F598-W630 HydrophobicContact CG-CH2 4.47Å; F598-W630 AromaticContact CG-CZ3 3.65Å; F598-W630 HydrophobicContact CG-CZ3 3.65Å; F598-W630 HydrophobicContact CZ-CB 3.61Å; F598-W630 HydrophobicContact CZ-CD2 4.4Å; F598-W630 HydrophobicContact CZ-CE3 4.4Å; F598-W630 HydrophobicContact CZ-CG 4.11Å
599	E	88.1	Confident	87.4	Confident	71 Å²	71	80.2 Å²	80.2	33%	0.332	39%	0.394	S	S	.	.	H	α-helix	trans	-57.8	-40.7	176.1	-75.2	171.5	166.7	0	0	110.8	R595 L602 D603	R595-E599 HydrophobicContact CG-CG 4.35Å; R595-E599 IonicContact CZ-OE1 3.65Å; R595-E599 VanDerWaalsContact CZ-OE1 3.29Å; R595-E599 IonicContact NE-OE1 3.75Å; R595-E599 PolarHBondContact NE-OE1 3.11Å; R595-E599 IonicContact NE-OE2 3.36Å; R595-E599 IonicContact NH2-OE1 2.79Å; R595-E599 PolarHBondContact NH2-OE1 3.13Å; R595-E599 WeakPolarHBondContact O-CB 3.26Å; R595-E599 WeakPolarHBondContact O-CG 3.3Å; R595-E599 PolarHBondContact O-N 3.07Å; E599-L602 PolarHBondContact O-N 3.29Å; E599-D603 WeakPolarHBondContact O-CB 3.5Å; E599-D603 PolarHBondContact O-N 3.29Å
600	K	90.4	Very high	87.7	Confident	143 Å²	143	83.8 Å²	83.8	62%	0.622	40%	0.398	S	S	*	.	H	α-helix	trans	-63.5	-41.9	173.9	-176.8	-178.6	179.8	-176.7	0	113.2	T596 E597 F598 N604	T596-K600 VanDerWaalsContact O-CB 3.28Å; T596-K600 WeakPolarHBondContact O-CB 3.46Å; T596-K600 PolarHBondContact O-N 3.07Å; E597-K600 WeakPolarHBondContact O-CB 2.93Å; E597-K600 PolarHBondContact O-N 3.27Å; F598-K600 VanDerWaalsContact C-N 3.27Å; F598-K600 PolarHBondContact O-N 3.08Å; K600-N604 WeakPolarHBondContact O-CB 3.49Å; K600-N604 PolarHBondContact O-N 3.2Å; K600-N604 PolarHBondContact O-ND2 3.37Å
601	I	88.9	Confident	88.4	Confident	79 Å²	79	83 Å²	83	41%	0.405	39%	0.388	S	S	.	.	H	α-helix	trans	-64.1	-44.6	175.9	-67.4	165	0	0	0	110.2	E597 F598 N604 A605 Y626	E597-I601 HydrophobicContact CG-CD1 4.35Å; E597-I601 WeakPolarHBondContact O-CG1 3.35Å; E597-I601 PolarHBondContact O-N 3.4Å; F598-I601 PolarHBondContact O-N 3.28Å; F598-I601 VanDerWaalsContact O-N 3.11Å; I601-N604 WeakPolarHBondContact O-CB 3.45Å; I601-N604 PolarHBondContact O-N 2.89Å; I601-A605 PolarHBondContact O-N 2.96Å; I601-Y626 HydrophobicContact CG2-CE1 3.94Å
602	L	90.1	Very high	89.3	Confident	17 Å²	17	77.6 Å²	77.6	9%	0.089	37%	0.373	C	S	.	.	H	α-helix	trans	-64.1	-40.9	178.7	179.6	61.7	0	0	0	112.1	F598 E599 A605 K606 L623 Y626	F598-L602 HydrophobicContact CE1-CD2 4.15Å; F598-L602 WeakPolarHBondContact O-CB 3.49Å; F598-L602 PolarHBondContact O-N 3.44Å; E599-L602 PolarHBondContact O-N 3.29Å; L602-A605 PolarHBondContact O-N 2.9Å; L602-K606 WeakPolarHBondContact O-CG 3.38Å; L602-K606 PolarHBondContact O-N 3.2Å; L602-L623 HydrophobicContact CD1-CD2 3.81Å; L602-Y626 HydrophobicContact CD1-CD1 4.32Å; L602-Y626 HydrophobicContact CD1-CD2 3.93Å; L602-Y626 HydrophobicContact CD1-CG 3.8Å
603	D	93.3	Very high	89.8	Confident	76 Å²	76	79.1 Å²	79.1	41%	0.406	39%	0.39	S	S	.	.	H	α-helix	trans	-73.9	-29.5	178.8	-73.8	-12.6	0	0	0	112.8	E599 K606 S607	E599-D603 WeakPolarHBondContact O-CB 3.5Å; E599-D603 PolarHBondContact O-N 3.29Å; D603-K606 IonicContact OD1-NZ 2.84Å; D603-K606 PolarHBondContact OD1-NZ 2.96Å; D603-S607 VanDerWaalsContact O-CB 3.29Å; D603-S607 WeakPolarHBondContact O-CB 3.35Å; D603-S607 PolarHBondContact O-N 3.48Å; D603-S607 PolarHBondContact O-OG 3.4Å
604	N	93	Very high	90.3	Very high	99 Å²	99	78.4 Å²	78.4	53%	0.529	38%	0.381	S	S	.	.	H	α-helix	trans	-62.1	-47.2	165.9	-71.1	-23	0	0	0	110.7	K600 I601 S607 Y608	K600-N604 WeakPolarHBondContact O-CB 3.49Å; K600-N604 PolarHBondContact O-N 3.2Å; K600-N604 PolarHBondContact O-ND2 3.37Å; I601-N604 WeakPolarHBondContact O-CB 3.45Å; I601-N604 PolarHBondContact O-N 2.89Å; N604-S607 PolarHBondContact O-N 3.5Å; N604-Y608 WeakPolarHBondContact O-CB 3.5Å; N604-Y608 PolarHBondContact O-N 3.38Å
605	A	92.7	Very high	91.1	Very high	17 Å²	17	77.9 Å²	77.9	14%	0.14	38%	0.382	C	S	.	.	H	α-helix	trans	-62.4	-44.4	177.8	0	0	0	0	0	112.2	I601 L602 S607 Y608 M609 Y626	I601-A605 PolarHBondContact O-N 2.96Å; L602-A605 PolarHBondContact O-N 2.9Å; A605-S607 VanDerWaalsContact C-N 3.32Å; A605-S607 PolarHBondContact O-N 3.17Å; A605-Y608 PolarHBondContact O-N 3.12Å; A605-M609 WeakPolarHBondContact O-CG 3.33Å; A605-M609 PolarHBondContact O-N 3.34Å; A605-Y626 HydrophobicContact CB-CE2 3.76Å
606	K	93.5	Very high	91.7	Very high	68 Å²	68	78.6 Å²	78.6	30%	0.296	39%	0.388	S	S	.	.	H	α-helix	trans	-59.7	-41	172.7	-70.9	171.4	-166.5	150.7	0	112.1	L602 D603 M609 R610 L623	L602-K606 WeakPolarHBondContact O-CG 3.38Å; L602-K606 PolarHBondContact O-N 3.2Å; D603-K606 IonicContact OD1-NZ 2.84Å; D603-K606 PolarHBondContact OD1-NZ 2.96Å; K606-M609 HydrophobicContact CG-CE 4.37Å; K606-M609 PolarHBondContact O-N 2.94Å; K606-R610 WeakPolarHBondContact O-CG 3.39Å; K606-R610 PolarHBondContact O-N 2.95Å; K606-R610 PolarHBondContact O-NE 2.85Å; K606-L623 HydrophobicContact CG-CD2 4.13Å
607	S	94	Very high	92	Very high	27 Å²	27	79.9 Å²	79.9	19%	0.189	39%	0.392	C	S	.	.	H	α-helix	trans	-66.9	-42.9	179.1	-59.4	0	0	0	0	111.7	D603 N604 A605 M609 R610 E611	D603-S607 VanDerWaalsContact O-CB 3.29Å; D603-S607 WeakPolarHBondContact O-CB 3.35Å; D603-S607 PolarHBondContact O-N 3.48Å; D603-S607 PolarHBondContact O-OG 3.4Å; N604-S607 PolarHBondContact O-N 3.5Å; A605-S607 VanDerWaalsContact C-N 3.32Å; A605-S607 PolarHBondContact O-N 3.17Å; S607-M609 PolarHBondContact O-N 2.99Å; S607-R610 PolarHBondContact O-N 3.23Å; S607-R610 PolarHBondContact OG-NH2 3.34Å; S607-E611 WeakPolarHBondContact O-CB 3.47Å; S607-E611 PolarHBondContact O-N 2.88Å
608	Y	94.8	Very high	92.4	Very high	129 Å²	129	77.9 Å²	77.9	51%	0.506	39%	0.385	S	S	.	.	H	α-helix	trans	-59	-43.7	172.4	-176.1	-83.7	0	0	0	112.6	L36 N604 A605 R610 E611 N612	L36-Y608 HydrophobicContact CD1-CD2 3.85Å; L36-Y608 HydrophobicContact CD1-CE2 3.87Å; L36-Y608 HydrophobicContact CD2-CE2 3.77Å; L36-Y608 HydrophobicContact CG-CE2 4.14Å; N604-Y608 WeakPolarHBondContact O-CB 3.5Å; N604-Y608 PolarHBondContact O-N 3.38Å; A605-Y608 PolarHBondContact O-N 3.12Å; Y608-R610 VanDerWaalsContact C-N 3.35Å; Y608-R610 PolarHBondContact O-N 3.27Å; Y608-E611 PolarHBondContact O-N 3.37Å; Y608-N612 PolarHBondContact O-N 3.22Å; Y608-N612 VanDerWaalsContact O-N 3.09Å; Y608-N612 PolarHBondContact O-ND2 3.49Å
609	M	95	Very high	92.7	Very high	8 Å²	8	79.4 Å²	79.4	4%	0.039	39%	0.393	C	S	.	.	H	α-helix	trans	-66.5	-34.2	177.8	-71.8	-172.9	-63.6	0	0	113.1	A605 K606 S607 S613 V614 Q619 I622 L623	A605-M609 WeakPolarHBondContact O-CG 3.33Å; A605-M609 PolarHBondContact O-N 3.34Å; K606-M609 HydrophobicContact CG-CE 4.37Å; K606-M609 PolarHBondContact O-N 2.94Å; S607-M609 PolarHBondContact O-N 2.99Å; M609-S613 PolarHBondContact O-N 3.19Å; M609-V614 HydrophobicContact CB-CB 4.25Å; M609-V614 HydrophobicContact CB-CG2 4.24Å; M609-V614 HydrophobicContact CG-CB 4.43Å; M609-V614 HydrophobicContact CG-CG2 4.29Å; M609-V614 PolarHBondContact O-N 2.89Å; M609-Q619 HydrophobicContact CB-CG 4.22Å; M609-Q619 HydrophobicContact SD-CB 4.02Å; M609-Q619 HydrophobicContact SD-CG 3.9Å; M609-I622 HydrophobicContact CE-CG2 4.17Å; M609-I622 HydrophobicContact CG-CD1 4.48Å; M609-I622 HydrophobicContact SD-CB 3.99Å; M609-I622 HydrophobicContact SD-CD1 3.64Å; M609-I622 HydrophobicContact SD-CG1 4.42Å; M609-I622 HydrophobicContact SD-CG2 3.91Å; M609-L623 HydrophobicContact CE-CD2 4.38Å; M609-L623 HydrophobicContact CE-CG 4.47Å
610	R	92.2	Very high	92.9	Very high	165 Å²	165	80 Å²	80	62%	0.623	40%	0.398	S	S	*	.	H	α-helix	trans	-70.2	-46.4	174.1	-73.3	-179.1	-62.9	-158.6	2.3	111.9	K606 S607 Y608 N612 S613	K606-R610 WeakPolarHBondContact O-CG 3.39Å; K606-R610 PolarHBondContact O-N 2.95Å; K606-R610 PolarHBondContact O-NE 2.85Å; S607-R610 PolarHBondContact O-N 3.23Å; S607-R610 PolarHBondContact OG-NH2 3.34Å; Y608-R610 VanDerWaalsContact C-N 3.35Å; Y608-R610 PolarHBondContact O-N 3.27Å; R610-N612 VanDerWaalsContact C-N 3.33Å; R610-N612 PolarHBondContact O-N 3.14Å; R610-S613 PolarHBondContact O-N 3.04Å
611	E	94.6	Very high	93	Very high	62 Å²	62	78.9 Å²	78.9	29%	0.29	39%	0.39	S	S	.	.	H	α-helix	trans	-60.2	-43.7	-179.9	-169.8	179.1	151.1	0	0	111.6	T34 I35 L36 S607 Y608 S613	T34-E611 VanDerWaalsContact CB-OE2 3.31Å; T34-E611 WeakPolarHBondContact CB-OE2 3.47Å; T34-E611 VanDerWaalsContact CG2-OE2 3.29Å; T34-E611 WeakPolarHBondContact CG2-OE2 3.45Å; I35-E611 WeakPolarHBondContact CA-OE1 3.48Å; L36-E611 VanDerWaalsContact CD1-CD 3.43Å; L36-E611 HydrophobicContact CD1-CG 4.3Å; L36-E611 WeakPolarHBondContact CD1-OE1 3.38Å; L36-E611 PolarHBondContact N-OE1 3.4Å; S607-E611 WeakPolarHBondContact O-CB 3.47Å; S607-E611 PolarHBondContact O-N 2.88Å; Y608-E611 PolarHBondContact O-N 3.37Å; E611-S613 VanDerWaalsContact C-N 3.32Å; E611-S613 PolarHBondContact O-N 2.86Å
612	N	95.1	Very high	93.1	Very high	73 Å²	73	77.6 Å²	77.6	39%	0.39	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	9.7	179.9	-64	-74.4	0	0	0	114.2	Y608 R610 V614	Y608-N612 PolarHBondContact O-N 3.22Å; Y608-N612 VanDerWaalsContact O-N 3.09Å; Y608-N612 PolarHBondContact O-ND2 3.49Å; R610-N612 VanDerWaalsContact C-N 3.33Å; R610-N612 PolarHBondContact O-N 3.14Å; N612-V614 VanDerWaalsContact C-N 3.26Å; N612-V614 HydrophobicContact CB-CG2 4.16Å; N612-V614 PolarHBondContact O-N 2.79Å; N612-V614 VanDerWaalsContact O-N 3.15Å
613	S	93	Very high	93.3	Very high	105 Å²	105	79 Å²	79	73%	0.734	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	41.7	178.2	-61.6	0	0	0	0	114.7	M609 R610 E611	M609-S613 PolarHBondContact O-N 3.19Å; R610-S613 PolarHBondContact O-N 3.04Å; E611-S613 VanDerWaalsContact C-N 3.32Å; E611-S613 PolarHBondContact O-N 2.86Å
614	V	94.1	Very high	93.2	Very high	32 Å²	32	83 Å²	83	19%	0.194	40%	0.4	C	S	.	.			trans	-61.9	140.1	-174.7	177	0	0	0	0	111.2	M609 N612 K616 L618 Q619	M609-V614 HydrophobicContact CB-CB 4.25Å; M609-V614 HydrophobicContact CB-CG2 4.24Å; M609-V614 HydrophobicContact CG-CB 4.43Å; M609-V614 HydrophobicContact CG-CG2 4.29Å; M609-V614 PolarHBondContact O-N 2.89Å; N612-V614 VanDerWaalsContact C-N 3.26Å; N612-V614 HydrophobicContact CB-CG2 4.16Å; N612-V614 PolarHBondContact O-N 2.79Å; N612-V614 VanDerWaalsContact O-N 3.15Å; V614-K616 PolarHBondContact O-N 3.46Å; V614-L618 HydrophobicContact CG1-CB 3.96Å; V614-L618 HydrophobicContact CG1-CD2 3.83Å; V614-L618 HydrophobicContact CG1-CG 3.94Å; V614-Q619 HydrophobicContact CB-CG 4.15Å; V614-Q619 HydrophobicContact CG1-CG 4.09Å; V614-Q619 PolarHBondContact O-NE2 2.83Å
615	N	94.5	Very high	93.1	Very high	102 Å²	102	82.8 Å²	82.8	55%	0.545	39%	0.392	S	S	.	.			trans	-56.8	138.6	178.1	-177.8	25	0	0	0	112.1	D617 L618 Q619	N615-D617 PolarHBondContact ND2-OD2 3.01Å; N615-D617 PolarHBondContact O-N 3.36Å; N615-D617 VanDerWaalsContact O-N 3.17Å; N615-L618 PolarHBondContact O-N 2.99Å; N615-Q619 PolarHBondContact O-N 2.96Å
616	K	92.6	Very high	92.9	Very high	155 Å²	155	84 Å²	84	67%	0.674	39%	0.393	S	S	*	.	H	α-helix	trans	-54.4	-35.6	-176.8	-68	-178.6	179.7	176.7	0	113.3	V614 L618 Q619 N620	V614-K616 PolarHBondContact O-N 3.46Å; K616-L618 PolarHBondContact O-N 2.88Å; K616-Q619 PolarHBondContact O-N 3.41Å; K616-N620 WeakPolarHBondContact O-CB 3.39Å; K616-N620 VanDerWaalsContact O-CG 3.24Å; K616-N620 PolarHBondContact O-N 3.36Å; K616-N620 PolarHBondContact O-ND2 2.95Å
617	D	92.2	Very high	92.7	Very high	111 Å²	111	85.3 Å²	85.3	59%	0.594	40%	0.403	S	S	*	.	H	α-helix	trans	-64	-42	178.4	-53.1	-49.6	0	0	0	111.8	N615 N620 R621	N615-D617 PolarHBondContact ND2-OD2 3.01Å; N615-D617 PolarHBondContact O-N 3.36Å; N615-D617 VanDerWaalsContact O-N 3.17Å; D617-N620 PolarHBondContact O-N 3.18Å; D617-R621 PolarHBondContact O-N 3.3Å
618	L	92.2	Very high	92.4	Very high	79 Å²	79	85.6 Å²	85.6	41%	0.414	40%	0.401	S	S	.	.	H	α-helix	trans	-71.6	-37.9	175.9	-177.9	56.1	0	0	0	111.2	V614 N615 K616 N620 R621 I622	V614-L618 HydrophobicContact CG1-CB 3.96Å; V614-L618 HydrophobicContact CG1-CD2 3.83Å; V614-L618 HydrophobicContact CG1-CG 3.94Å; N615-L618 PolarHBondContact O-N 2.99Å; K616-L618 PolarHBondContact O-N 2.88Å; L618-N620 PolarHBondContact O-N 3.2Å; L618-R621 PolarHBondContact O-N 2.77Å; L618-I622 HydrophobicContact CD1-CD1 4.07Å; L618-I622 HydrophobicContact CD1-CG1 4.23Å; L618-I622 HydrophobicContact CG-CD1 3.92Å; L618-I622 VanDerWaalsContact O-CG1 3.31Å; L618-I622 WeakPolarHBondContact O-CG1 3.09Å; L618-I622 PolarHBondContact O-N 3.27Å
619	Q	93	Very high	91.9	Very high	50 Å²	50	79.7 Å²	79.7	23%	0.234	38%	0.379	C	S	.	.	H	α-helix	trans	-57.8	-47.9	171.8	-60.7	-171.7	15	0	0	111.3	M609 V614 N615 K616 R621 I622 L623	M609-Q619 HydrophobicContact CB-CG 4.22Å; M609-Q619 HydrophobicContact SD-CB 4.02Å; M609-Q619 HydrophobicContact SD-CG 3.9Å; V614-Q619 HydrophobicContact CB-CG 4.15Å; V614-Q619 HydrophobicContact CG1-CG 4.09Å; V614-Q619 PolarHBondContact O-NE2 2.83Å; N615-Q619 PolarHBondContact O-N 2.96Å; K616-Q619 PolarHBondContact O-N 3.41Å; Q619-R621 VanDerWaalsContact C-N 3.34Å; Q619-R621 PolarHBondContact O-N 3.3Å; Q619-I622 PolarHBondContact O-N 3.45Å; Q619-L623 VanDerWaalsContact O-CG 3.3Å; Q619-L623 WeakPolarHBondContact O-CG 3.43Å; Q619-L623 PolarHBondContact O-N 3.31Å
620	N	92.3	Very high	91.4	Very high	84 Å²	84	83 Å²	83	45%	0.449	39%	0.39	S	S	.	.	H	α-helix	trans	-62.1	-39	178.4	-73.5	-29.4	0	0	0	112.4	K616 D617 L618 R624	K616-N620 WeakPolarHBondContact O-CB 3.39Å; K616-N620 VanDerWaalsContact O-CG 3.24Å; K616-N620 PolarHBondContact O-N 3.36Å; K616-N620 PolarHBondContact O-ND2 2.95Å; D617-N620 PolarHBondContact O-N 3.18Å; L618-N620 PolarHBondContact O-N 3.2Å; N620-R624 WeakPolarHBondContact O-CB 3.36Å; N620-R624 VanDerWaalsContact O-CG 3.28Å; N620-R624 WeakPolarHBondContact O-CG 3.29Å; N620-R624 PolarHBondContact O-N 3.13Å
621	R	91.4	Very high	91	Very high	119 Å²	119	79.3 Å²	79.3	45%	0.449	39%	0.39	S	S	.	.	H	α-helix	trans	-66	-43.4	175.1	-178.9	169.8	164.3	-140.2	-8.6	112.1	D617 L618 Q619 R624 W625 T691 D694	D617-R621 PolarHBondContact O-N 3.3Å; L618-R621 PolarHBondContact O-N 2.77Å; Q619-R621 VanDerWaalsContact C-N 3.34Å; Q619-R621 PolarHBondContact O-N 3.3Å; R621-R624 PolarHBondContact O-N 3.02Å; R621-W625 PolarHBondContact O-N 3.26Å; R621-T691 PolarHBondContact NE-OG1 3.45Å; R621-D694 IonicContact CZ-OD1 2.68Å; R621-D694 IonicContact NE-OD1 2.65Å; R621-D694 PolarHBondContact NE-OD1 2.85Å; R621-D694 VanDerWaalsContact NH2-CG 3.3Å; R621-D694 IonicContact NH2-OD1 3.44Å; R621-D694 PolarHBondContact NH2-OD1 3.49Å; R621-D694 IonicContact NH2-OD2 3.19Å
622	I	92.3	Very high	90.1	Very high	52 Å²	52	80.3 Å²	80.3	27%	0.267	39%	0.394	S	S	.	.	H	α-helix	trans	-63	-44.9	176.2	-69.9	165.5	0	0	0	110.9	M609 L618 Q619 W625 Y626	M609-I622 HydrophobicContact CE-CG2 4.17Å; M609-I622 HydrophobicContact CG-CD1 4.48Å; M609-I622 HydrophobicContact SD-CB 3.99Å; M609-I622 HydrophobicContact SD-CD1 3.64Å; M609-I622 HydrophobicContact SD-CG1 4.42Å; M609-I622 HydrophobicContact SD-CG2 3.91Å; L618-I622 HydrophobicContact CD1-CD1 4.07Å; L618-I622 HydrophobicContact CD1-CG1 4.23Å; L618-I622 HydrophobicContact CG-CD1 3.92Å; L618-I622 VanDerWaalsContact O-CG1 3.31Å; L618-I622 WeakPolarHBondContact O-CG1 3.09Å; L618-I622 PolarHBondContact O-N 3.27Å; Q619-I622 PolarHBondContact O-N 3.45Å; I622-W625 WeakPolarHBondContact O-CB 3.49Å; I622-W625 PolarHBondContact O-N 3.46Å; I622-Y626 HydrophobicContact CG2-CD2 3.83Å; I622-Y626 HydrophobicContact CG2-CE2 3.77Å; I622-Y626 WeakPolarHBondContact O-CD2 3.33Å; I622-Y626 PolarHBondContact O-N 3.35Å
623	L	92.7	Very high	88.8	Confident	45 Å²	45	77.5 Å²	77.5	24%	0.236	38%	0.382	C	S	.	.	H	α-helix	trans	-61.9	-45.3	177.4	-68.9	173	0	0	0	111.9	L602 K606 M609 Q619 W625 Y626 D627	L602-L623 HydrophobicContact CD1-CD2 3.81Å; K606-L623 HydrophobicContact CG-CD2 4.13Å; M609-L623 HydrophobicContact CE-CD2 4.38Å; M609-L623 HydrophobicContact CE-CG 4.47Å; Q619-L623 VanDerWaalsContact O-CG 3.3Å; Q619-L623 WeakPolarHBondContact O-CG 3.43Å; Q619-L623 PolarHBondContact O-N 3.31Å; L623-W625 VanDerWaalsContact C-N 3.3Å; L623-W625 PolarHBondContact O-N 2.79Å; L623-Y626 PolarHBondContact O-N 2.89Å; L623-Y626 VanDerWaalsContact O-N 3.13Å; L623-D627 PolarHBondContact O-N 2.74Å
624	R	91.3	Very high	87.1	Confident	161 Å²	161	73.8 Å²	73.8	61%	0.608	36%	0.356	S	S	*	.	H	α-helix	trans	-58.7	-38.5	174.3	-75.2	173.6	-178.2	-175.8	1.5	113.1	N620 R621 Y628	N620-R624 WeakPolarHBondContact O-CB 3.36Å; N620-R624 VanDerWaalsContact O-CG 3.28Å; N620-R624 WeakPolarHBondContact O-CG 3.29Å; N620-R624 PolarHBondContact O-N 3.13Å; R621-R624 PolarHBondContact O-N 3.02Å; R624-Y628 WeakPolarHBondContact O-CB 3.34Å; R624-Y628 PolarHBondContact O-N 3Å
625	W	91	Very high	85.1	Confident	94 Å²	94	73.8 Å²	73.8	36%	0.356	36%	0.363	S	S	.	.	H	α-helix	trans	-62.9	-45.8	174.2	179.8	88.7	0	0	0	111.6	R621 I622 L623 Y628 A629 V689 T691	R621-W625 PolarHBondContact O-N 3.26Å; I622-W625 WeakPolarHBondContact O-CB 3.49Å; I622-W625 PolarHBondContact O-N 3.46Å; L623-W625 VanDerWaalsContact C-N 3.3Å; L623-W625 PolarHBondContact O-N 2.79Å; W625-Y628 PolarHBondContact O-N 3.48Å; W625-A629 VanDerWaalsContact O-CB 3.26Å; W625-A629 WeakPolarHBondContact O-CB 3.32Å; W625-A629 PolarHBondContact O-N 3.4Å; W625-V689 PolarHBondContact NE1-O 3.32Å; W625-T691 HydrophobicContact CB-CG2 3.67Å; W625-T691 HydrophobicContact CG-CG2 4.17Å
626	Y	89.8	Confident	83	Confident	42 Å²	42	74.6 Å²	74.6	17%	0.165	36%	0.358	C	S	.	.	H	α-helix	trans	-61.9	-44.2	176	-87.7	-73.3	0	0	0	112.4	F598 I601 L602 A605 I622 L623 A629 W630	F598-Y626 AromaticContact CE2-CD1 3.93Å; F598-Y626 HydrophobicContact CE2-CD1 3.93Å; F598-Y626 HydrophobicContact CZ-CD1 4.08Å; F598-Y626 WeakPolarHBondContact CZ-O 3.35Å; I601-Y626 HydrophobicContact CG2-CE1 3.94Å; L602-Y626 HydrophobicContact CD1-CD1 4.32Å; L602-Y626 HydrophobicContact CD1-CD2 3.93Å; L602-Y626 HydrophobicContact CD1-CG 3.8Å; A605-Y626 HydrophobicContact CB-CE2 3.76Å; I622-Y626 HydrophobicContact CG2-CD2 3.83Å; I622-Y626 HydrophobicContact CG2-CE2 3.77Å; I622-Y626 WeakPolarHBondContact O-CD2 3.33Å; I622-Y626 PolarHBondContact O-N 3.35Å; L623-Y626 PolarHBondContact O-N 2.89Å; L623-Y626 VanDerWaalsContact O-N 3.13Å; Y626-A629 PolarHBondContact O-N 2.98Å; Y626-W630 WeakPolarHBondContact O-CB 3.32Å; Y626-W630 PolarHBondContact O-N 2.9Å
627	D	88.2	Confident	80.9	Confident	97 Å²	97	69 Å²	69	52%	0.519	34%	0.344	S	S	.	.	H	α-helix	trans	-61.9	-44.1	177.8	-68.2	-28.1	0	0	0	111.3	L623 W630 S631	L623-D627 PolarHBondContact O-N 2.74Å; D627-W630 PolarHBondContact O-N 3.45Å; D627-S631 WeakPolarHBondContact O-CB 3.49Å; D627-S631 PolarHBondContact O-N 2.98Å
628	Y	87.9	Confident	78.7	Confident	33 Å²	33	66.4 Å²	66.4	13%	0.129	34%	0.344	C	S	.	.	H	α-helix	trans	-64.2	-48.9	175.9	-175.5	-87.5	0	0	0	111.5	R624 W625 W630 S631 K632 V689 Y756 E758	R624-Y628 WeakPolarHBondContact O-CB 3.34Å; R624-Y628 PolarHBondContact O-N 3Å; W625-Y628 PolarHBondContact O-N 3.48Å; Y628-W630 VanDerWaalsContact C-N 3.27Å; Y628-W630 PolarHBondContact O-N 3Å; Y628-S631 PolarHBondContact O-N 3.21Å; Y628-S631 PolarHBondContact O-OG 3.22Å; Y628-K632 HydrophobicContact CD1-CG 4.24Å; Y628-K632 HydrophobicContact CE1-CB 4.41Å; Y628-K632 HydrophobicContact CE1-CG 3.64Å; Y628-K632 HydrophobicContact CE2-CG 4.26Å; Y628-K632 PolarHBondContact O-N 2.85Å; Y628-K632 WeakPolarHBondContact OH-CE 3.42Å; Y628-K632 PolarHBondContact OH-NZ 2.91Å; Y628-K632 VanDerWaalsContact OH-NZ 3.13Å; Y628-V689 HydrophobicContact CD1-CG1 3.53Å; Y628-V689 HydrophobicContact CE1-CG1 3.71Å; Y628-Y756 AromaticContact CD1-CD1 3.96Å; Y628-Y756 HydrophobicContact CD1-CD1 3.96Å; Y628-Y756 AromaticContact CD2-CD1 3.49Å; Y628-Y756 HydrophobicContact CD2-CD1 3.49Å; Y628-Y756 VanDerWaalsContact CD2-CD1 3.49Å; Y628-Y756 AromaticContact CD2-CD2 3.9Å; Y628-Y756 HydrophobicContact CD2-CD2 3.9Å; Y628-Y756 AromaticContact CD2-CE1 3.8Å; Y628-Y756 HydrophobicContact CD2-CE1 3.8Å; Y628-Y756 HydrophobicContact CD2-CE2 4.18Å; Y628-Y756 AromaticContact CD2-CG 3.55Å; Y628-Y756 HydrophobicContact CD2-CG 3.55Å; Y628-Y756 HydrophobicContact CE1-CD1 4.29Å; Y628-Y756 HydrophobicContact CE1-CG 4.48Å; Y628-Y756 AromaticContact CE2-CD1 3.85Å; Y628-Y756 HydrophobicContact CE2-CD1 3.85Å; Y628-Y756 AromaticContact CE2-CD2 3.93Å; Y628-Y756 HydrophobicContact CE2-CD2 3.93Å; Y628-Y756 AromaticContact CE2-CG 3.49Å; Y628-Y756 HydrophobicContact CE2-CG 3.49Å; Y628-Y756 VanDerWaalsContact CE2-CG 3.49Å; Y628-Y756 AromaticContact CG-CD1 3.54Å; Y628-Y756 HydrophobicContact CG-CD1 3.54Å; Y628-Y756 AromaticContact CG-CE1 3.76Å; Y628-Y756 HydrophobicContact CG-CE1 3.76Å; Y628-Y756 HydrophobicContact CG-CG 4.08Å; Y628-Y756 AromaticContact CZ-CG 3.98Å; Y628-E758 PolarHBondContact OH-OE1 3.36Å
629	A	85.2	Confident	76.9	Confident	5 Å²	5	65.7 Å²	65.7	4%	0.041	34%	0.339	C	S	.	.	H	α-helix	trans	-61.8	-31.4	178.6	0	0	0	0	0	113.1	W625 Y626 G633 S634 G635	W625-A629 VanDerWaalsContact O-CB 3.26Å; W625-A629 WeakPolarHBondContact O-CB 3.32Å; W625-A629 PolarHBondContact O-N 3.4Å; Y626-A629 PolarHBondContact O-N 2.98Å; A629-G633 PolarHBondContact O-N 3.44Å; A629-S634 WeakPolarHBondContact O-CB 3.38Å; A629-S634 PolarHBondContact O-N 2.92Å; A629-G635 PolarHBondContact O-N 3.47Å
630	W	83.6	Confident	75.3	Confident	76 Å²	76	66.6 Å²	66.6	29%	0.288	35%	0.345	S	S	.	.	H	α-helix	trans	-69.8	-46	169.6	-177.2	-114.1	0	0	0	111.7	R595 F598 Y626 D627 Y628 K632 G633 R636	R595-W630 HydrophobicContact CB-CH2 4.35Å; R595-W630 HydrophobicContact CB-CZ2 4.42Å; F598-W630 HydrophobicContact CB-CE3 3.74Å; F598-W630 HydrophobicContact CB-CH2 4.08Å; F598-W630 HydrophobicContact CB-CZ3 3.44Å; F598-W630 VanDerWaalsContact CB-CZ3 3.44Å; F598-W630 AromaticContact CD1-CD2 3.87Å; F598-W630 HydrophobicContact CD1-CD2 3.87Å; F598-W630 AromaticContact CD1-CE3 3.75Å; F598-W630 HydrophobicContact CD1-CE3 3.75Å; F598-W630 HydrophobicContact CD1-CG 4.26Å; F598-W630 HydrophobicContact CD1-CZ3 4.23Å; F598-W630 HydrophobicContact CD2-CD2 4.28Å; F598-W630 AromaticContact CD2-CE3 3.52Å; F598-W630 HydrophobicContact CD2-CE3 3.52Å; F598-W630 HydrophobicContact CD2-CZ3 4.09Å; F598-W630 HydrophobicContact CE1-CB 3.97Å; F598-W630 HydrophobicContact CE1-CD2 4.09Å; F598-W630 HydrophobicContact CE1-CE3 4.26Å; F598-W630 AromaticContact CE1-CG 3.98Å; F598-W630 HydrophobicContact CE1-CG 3.98Å; F598-W630 HydrophobicContact CE2-CB 3.95Å; F598-W630 HydrophobicContact CE2-CD2 4.47Å; F598-W630 HydrophobicContact CE2-CE3 4.05Å; F598-W630 HydrophobicContact CE2-CG 4.48Å; F598-W630 AromaticContact CG-CD2 3.98Å; F598-W630 HydrophobicContact CG-CD2 3.98Å; F598-W630 AromaticContact CG-CE3 3.36Å; F598-W630 HydrophobicContact CG-CE3 3.36Å; F598-W630 HydrophobicContact CG-CH2 4.47Å; F598-W630 AromaticContact CG-CZ3 3.65Å; F598-W630 HydrophobicContact CG-CZ3 3.65Å; F598-W630 HydrophobicContact CZ-CB 3.61Å; F598-W630 HydrophobicContact CZ-CD2 4.4Å; F598-W630 HydrophobicContact CZ-CE3 4.4Å; F598-W630 HydrophobicContact CZ-CG 4.11Å; Y626-W630 WeakPolarHBondContact O-CB 3.32Å; Y626-W630 PolarHBondContact O-N 2.9Å; D627-W630 PolarHBondContact O-N 3.45Å; Y628-W630 VanDerWaalsContact C-N 3.27Å; Y628-W630 PolarHBondContact O-N 3Å; W630-K632 PolarHBondContact O-N 3Å; W630-G633 PolarHBondContact O-N 3.3Å; W630-G633 VanDerWaalsContact O-N 3.11Å; W630-R636 HydrophobicContact CZ3-CG 4.31Å
631	S	84.2	Confident	73.9	Confident	89 Å²	89	63.6 Å²	63.6	62%	0.622	33%	0.328	S	S	*	.	H	α-helix	trans	-63.3	-39.2	-178.2	76.9	0	0	0	0	113.8	D627 Y628 G633	D627-S631 WeakPolarHBondContact O-CB 3.49Å; D627-S631 PolarHBondContact O-N 2.98Å; Y628-S631 PolarHBondContact O-N 3.21Å; Y628-S631 PolarHBondContact O-OG 3.22Å; S631-G633 VanDerWaalsContact C-N 3.28Å; S631-G633 PolarHBondContact O-N 2.88Å
632	K	76.2	Confident	72.4	Confident	82 Å²	82	61.4 Å²	61.4	36%	0.357	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-1.3	175.4	-74.3	-69	-162.4	93.1	0	113.7	Y628 W630 S634 D711 E758	Y628-K632 HydrophobicContact CD1-CG 4.24Å; Y628-K632 HydrophobicContact CE1-CB 4.41Å; Y628-K632 HydrophobicContact CE1-CG 3.64Å; Y628-K632 HydrophobicContact CE2-CG 4.26Å; Y628-K632 PolarHBondContact O-N 2.85Å; Y628-K632 WeakPolarHBondContact OH-CE 3.42Å; Y628-K632 PolarHBondContact OH-NZ 2.91Å; Y628-K632 VanDerWaalsContact OH-NZ 3.13Å; W630-K632 PolarHBondContact O-N 3Å; K632-S634 VanDerWaalsContact C-N 3.28Å; K632-S634 PolarHBondContact O-N 3.41Å; K632-D711 IonicContact NZ-OD2 2.82Å; K632-D711 PolarHBondContact NZ-OD2 3.31Å; K632-E758 WeakPolarHBondContact CD-OE1 3.34Å; K632-E758 WeakPolarHBondContact CE-OE1 2.84Å; K632-E758 VanDerWaalsContact CG-OE1 3.27Å; K632-E758 WeakPolarHBondContact CG-OE1 3.45Å; K632-E758 IonicContact NZ-OE1 2.72Å; K632-E758 PolarHBondContact NZ-OE1 2.92Å; K632-E758 IonicContact NZ-OE2 3.59Å
633	G	68.2	Low	70.9	Confident	15 Å²	15	62.4 Å²	62.4	16%	0.155	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	-1.3	178.2	0	0	0	0	0	115.5	A629 W630 S631 G635 R636	A629-G633 PolarHBondContact O-N 3.44Å; W630-G633 PolarHBondContact O-N 3.3Å; W630-G633 VanDerWaalsContact O-N 3.11Å; S631-G633 VanDerWaalsContact C-N 3.28Å; S631-G633 PolarHBondContact O-N 2.88Å; G633-G635 PolarHBondContact O-N 2.74Å; G633-R636 WeakPolarHBondContact O-CB 3.34Å; G633-R636 PolarHBondContact O-N 3.44Å
634	S	57.3	Low	69.6	Low	27 Å²	27	63.7 Å²	63.7	19%	0.189	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-53.1	-37.8	171.6	-45.4	0	0	0	0	111.8	A629 K632 R636 G637 Q639	A629-S634 WeakPolarHBondContact O-CB 3.38Å; A629-S634 PolarHBondContact O-N 2.92Å; K632-S634 VanDerWaalsContact C-N 3.28Å; K632-S634 PolarHBondContact O-N 3.41Å; S634-R636 PolarHBondContact O-N 3.08Å; S634-G637 PolarHBondContact O-N 3.1Å; S634-Q639 PolarHBondContact OG-NE2 3.11Å; S634-Q639 PolarHBondContact OG-OE1 2.74Å
635	G	50.4	Low	68.4	Low	32 Å²	32	57.3 Å²	57.3	33%	0.33	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-68	-6.8	175.9	0	0	0	0	0	115.7	A629 G633 G637	A629-G635 PolarHBondContact O-N 3.47Å; G633-G635 PolarHBondContact O-N 2.74Å; G635-G637 VanDerWaalsContact C-N 3.34Å
636	R	51.8	Low	67.6	Low	119 Å²	119	59.6 Å²	59.6	45%	0.449	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-89.6	4.5	176.9	-62.3	179.2	173.1	166.5	-3.4	113.4	W630 G633 S634 G638	W630-R636 HydrophobicContact CZ3-CG 4.31Å; G633-R636 WeakPolarHBondContact O-CB 3.34Å; G633-R636 PolarHBondContact O-N 3.44Å; S634-R636 PolarHBondContact O-N 3.08Å; R636-G638 PolarHBondContact O-N 2.88Å
637	G	47.4	Very low	67.1	Low	37 Å²	37	59.9 Å²	59.9	38%	0.381	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	-5	-168.6	0	0	0	0	0	114.2	S634 G635 Q639 D640 S643	S634-G637 PolarHBondContact O-N 3.1Å; G635-G637 VanDerWaalsContact C-N 3.34Å; G637-Q639 VanDerWaalsContact C-N 3.32Å; G637-Q639 PolarHBondContact O-N 3.03Å; G637-D640 PolarHBondContact O-N 2.92Å; G637-S643 PolarHBondContact O-OG 3.41Å; G637-S643 VanDerWaalsContact O-OG 3.12Å
638	G	47.5	Very low	67	Low	57 Å²	57	59 Å²	59	59%	0.588	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-6.4	-168.1	0	0	0	0	0	116.7	R636	R636-G638 PolarHBondContact O-N 2.88Å
639	Q	52.6	Low	66.7	Low	64 Å²	64	62.1 Å²	62.1	30%	0.299	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-22.3	176.7	-71.5	-174.1	-17.3	0	0	113.6	S634 G637 I641 P687	S634-Q639 PolarHBondContact OG-NE2 3.11Å; S634-Q639 PolarHBondContact OG-OE1 2.74Å; G637-Q639 VanDerWaalsContact C-N 3.32Å; G637-Q639 PolarHBondContact O-N 3.03Å; Q639-I641 PolarHBondContact O-N 2.98Å; Q639-P687 HydrophobicContact CB-CB 4.28Å; Q639-P687 HydrophobicContact CB-CG 3.92Å
640	D	59.6	Low	66.6	Low	68 Å²	68	69.2 Å²	69.2	36%	0.364	40%	0.398	S	S	.	.			trans	-89.1	103.6	170.5	-173	6.1	0	0	0	109	G637 N642 S643	G637-D640 PolarHBondContact O-N 2.92Å; D640-N642 PolarHBondContact O-N 2.77Å; D640-N642 WeakPolarHBondContact OD1-CB 3.36Å; D640-N642 PolarHBondContact OD1-N 3.16Å; D640-N642 PolarHBondContact OD1-ND2 3.36Å; D640-S643 WeakPolarHBondContact O-CB 3.28Å; D640-S643 PolarHBondContact O-N 2.97Å; D640-S643 PolarHBondContact O-OG 3.49Å
641	I	63.3	Low	66.8	Low	21 Å²	21	69.5 Å²	69.5	11%	0.108	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-67.8	-18	-179.3	-64.8	173.2	0	0	0	110.9	Q639 S643 L644 K652 A656	Q639-I641 PolarHBondContact O-N 2.98Å; I641-S643 PolarHBondContact O-N 3.19Å; I641-L644 PolarHBondContact O-N 3.16Å; I641-K652 HydrophobicContact CG2-CB 3.98Å; I641-K652 HydrophobicContact CG2-CG 4.33Å; I641-A656 HydrophobicContact CD1-CB 3.36Å; I641-A656 HydrophobicContact CG2-CB 4.39Å
642	N	60	Low	66.7	Low	74 Å²	74	66.1 Å²	66.1	40%	0.396	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-69.8	-17.4	170.3	-55	-65.7	0	0	0	112.8	D640 L644 L683	D640-N642 PolarHBondContact O-N 2.77Å; D640-N642 WeakPolarHBondContact OD1-CB 3.36Å; D640-N642 PolarHBondContact OD1-N 3.16Å; D640-N642 PolarHBondContact OD1-ND2 3.36Å; N642-L644 PolarHBondContact O-N 3.19Å; N642-L683 PolarHBondContact ND2-O 3.15Å
643	S	61.7	Low	67.1	Low	72 Å²	72	62.9 Å²	62.9	50%	0.503	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-66.5	-23.3	170.8	75.9	0	0	0	0	112.9	G637 D640 I641 G645	G637-S643 PolarHBondContact O-OG 3.41Å; G637-S643 VanDerWaalsContact O-OG 3.12Å; D640-S643 WeakPolarHBondContact O-CB 3.28Å; D640-S643 PolarHBondContact O-N 2.97Å; D640-S643 PolarHBondContact O-OG 3.49Å; I641-S643 PolarHBondContact O-N 3.19Å; S643-G645 PolarHBondContact O-N 3.28Å
644	L	64.5	Low	67.9	Low	72 Å²	72	65.7 Å²	65.7	38%	0.377	38%	0.375	S	S	.	.			trans	-76.5	56.8	171.9	-66.7	93	0	0	0	110.8	I641 N642 M646 L647 K652 L655	I641-L644 PolarHBondContact O-N 3.16Å; N642-L644 PolarHBondContact O-N 3.19Å; L644-M646 PolarHBondContact O-N 3.38Å; L644-L647 HydrophobicContact CB-CB 4.28Å; L644-L647 WeakPolarHBondContact O-CB 3.37Å; L644-L647 PolarHBondContact O-N 3.12Å; L644-K652 VanDerWaalsContact O-CE 3.31Å; L644-K652 WeakPolarHBondContact O-CE 3.42Å; L644-L655 HydrophobicContact CD2-CD2 4.26Å
645	G	66.5	Low	69.1	Low	28 Å²	28	67.7 Å²	67.7	29%	0.289	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-11.3	-173.7	0	0	0	0	0	115.7	F154 S643	F154-G645 WeakPolarHBondContact CZ-O 3.33Å; S643-G645 PolarHBondContact O-N 3.28Å
646	M	74.7	Confident	70.6	Confident	141 Å²	141	66.2 Å²	66.2	70%	0.695	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-17.7	172.7	-68.4	-173.6	69.8	0	0	114	F158 L644	F158-M646 HydrophobicContact CD1-CG 4.4Å; F158-M646 HydrophobicContact CE1-CG 3.34Å; F158-M646 HydrophobicContact CE1-SD 3.89Å; F158-M646 HydrophobicContact CZ-CG 3.44Å; F158-M646 VanDerWaalsContact CZ-CG 3.44Å; L644-M646 PolarHBondContact O-N 3.38Å
647	L	78.9	Confident	72	Confident	48 Å²	48	61.5 Å²	61.5	25%	0.251	35%	0.352	S	S	.	.	S	Bend	trans	-84.1	132.4	-174.7	-166.2	66.6	0	0	0	110.2	L644 L651 K652 L655	L644-L647 HydrophobicContact CB-CB 4.28Å; L644-L647 WeakPolarHBondContact O-CB 3.37Å; L644-L647 PolarHBondContact O-N 3.12Å; L647-L651 HydrophobicContact CD1-CB 3.8Å; L647-L651 HydrophobicContact CD1-CD1 3.97Å; L647-L651 HydrophobicContact CD2-CB 4.06Å; L647-L651 HydrophobicContact CG-CB 3.76Å; L647-K652 HydrophobicContact CB-CG 3.99Å; L647-K652 HydrophobicContact CD2-CG 4.03Å; L647-K652 HydrophobicContact CG-CG 4.17Å; L647-K652 WeakPolarHBondContact O-CE 3.17Å; L647-K652 PolarHBondContact O-NZ 2.75Å; L647-L655 HydrophobicContact CD2-CD2 4.19Å
648	P	85.2	Confident	73.6	Confident	80 Å²	80	64.7 Å²	64.7	52%	0.519	36%	0.36	S	S	.	.			trans	-57.4	143.5	171.8	-25	34.3	0	0	0	112	K650 L651 K652	P648-K650 VanDerWaalsContact C-N 3.28Å; P648-K650 PolarHBondContact O-N 3.09Å; P648-L651 HydrophobicContact CG-CD1 4.39Å; P648-L651 PolarHBondContact O-N 3.19Å; P648-K652 PolarHBondContact O-N 2.85Å
649	D	82.9	Confident	74.9	Confident	98 Å²	98	66.1 Å²	66.1	52%	0.524	36%	0.357	S	S	.	.	H	α-helix	trans	-60.8	-34.3	-171.2	-61.6	-31	0	0	0	113.2	L651 K652 T653 L683	D649-L651 VanDerWaalsContact C-N 3.35Å; D649-L651 PolarHBondContact O-N 3Å; D649-K652 WeakPolarHBondContact O-CB 3.36Å; D649-K652 PolarHBondContact O-N 3.02Å; D649-K652 VanDerWaalsContact O-N 3.13Å; D649-K652 IonicContact OD1-NZ 3.79Å; D649-K652 PolarHBondContact OD1-NZ 2.85Å; D649-T653 PolarHBondContact O-N 2.97Å; D649-T653 PolarHBondContact O-OG1 3.42Å; D649-T653 VanDerWaalsContact O-OG1 3.06Å; D649-L683 HydrophobicContact CB-CD1 4.21Å
650	K	83.3	Confident	75.9	Confident	154 Å²	154	64.6 Å²	64.6	67%	0.67	35%	0.351	S	S	*	.	H	α-helix	trans	-55.4	-48	171.8	-177.2	176.6	175.5	178.4	0	112.2	P648 T653 E654	P648-K650 VanDerWaalsContact C-N 3.28Å; P648-K650 PolarHBondContact O-N 3.09Å; K650-T653 PolarHBondContact O-N 3.12Å; K650-E654 WeakPolarHBondContact CE-OE1 3.41Å; K650-E654 WeakPolarHBondContact CG-OE1 3.31Å; K650-E654 IonicContact NZ-OE1 3.61Å; K650-E654 WeakPolarHBondContact O-CG 3.43Å; K650-E654 PolarHBondContact O-N 3.1Å
651	L	85.9	Confident	76.7	Confident	82 Å²	82	64.4 Å²	64.4	43%	0.429	35%	0.349	S	S	.	.	H	α-helix	trans	-71.4	-29.7	178	-68.9	178	0	0	0	112	L647 P648 D649 E654 L655	L647-L651 HydrophobicContact CD1-CB 3.8Å; L647-L651 HydrophobicContact CD1-CD1 3.97Å; L647-L651 HydrophobicContact CD2-CB 4.06Å; L647-L651 HydrophobicContact CG-CB 3.76Å; P648-L651 HydrophobicContact CG-CD1 4.39Å; P648-L651 PolarHBondContact O-N 3.19Å; D649-L651 VanDerWaalsContact C-N 3.35Å; D649-L651 PolarHBondContact O-N 3Å; L651-E654 WeakPolarHBondContact CD2-OE2 3.38Å; L651-L655 VanDerWaalsContact O-CB 3.25Å; L651-L655 WeakPolarHBondContact O-CB 3.46Å; L651-L655 PolarHBondContact O-N 2.86Å
652	K	83.8	Confident	77.2	Confident	17 Å²	17	69 Å²	69	7%	0.074	37%	0.37	C	S	.	.	H	α-helix	trans	-62.2	-45.3	168.6	-65.7	-167.9	-174.3	86.8	0	111	I641 L644 L647 P648 D649 L655 A656 L683	I641-K652 HydrophobicContact CG2-CB 3.98Å; I641-K652 HydrophobicContact CG2-CG 4.33Å; L644-K652 VanDerWaalsContact O-CE 3.31Å; L644-K652 WeakPolarHBondContact O-CE 3.42Å; L647-K652 HydrophobicContact CB-CG 3.99Å; L647-K652 HydrophobicContact CD2-CG 4.03Å; L647-K652 HydrophobicContact CG-CG 4.17Å; L647-K652 WeakPolarHBondContact O-CE 3.17Å; L647-K652 PolarHBondContact O-NZ 2.75Å; P648-K652 PolarHBondContact O-N 2.85Å; D649-K652 WeakPolarHBondContact O-CB 3.36Å; D649-K652 PolarHBondContact O-N 3.02Å; D649-K652 VanDerWaalsContact O-N 3.13Å; D649-K652 IonicContact OD1-NZ 3.79Å; D649-K652 PolarHBondContact OD1-NZ 2.85Å; K652-L655 PolarHBondContact O-N 3.26Å; K652-A656 WeakPolarHBondContact O-CB 3.42Å; K652-A656 PolarHBondContact O-N 3.31Å; K652-L683 HydrophobicContact CB-CD2 3.61Å
653	T	83.1	Confident	77.9	Confident	15 Å²	15	66.7 Å²	66.7	9%	0.092	36%	0.359	C	S	.	.	H	α-helix	trans	-64.1	-46.6	179.7	-51	0	0	0	0	111	D649 K650 L655 A656 L657 H679 L683	D649-T653 PolarHBondContact O-N 2.97Å; D649-T653 PolarHBondContact O-OG1 3.42Å; D649-T653 VanDerWaalsContact O-OG1 3.06Å; K650-T653 PolarHBondContact O-N 3.12Å; T653-L655 PolarHBondContact O-N 2.58Å; T653-A656 PolarHBondContact O-N 3.2Å; T653-L657 HydrophobicContact CG2-CD1 3.93Å; T653-L657 HydrophobicContact CG2-CG 4.39Å; T653-L657 WeakPolarHBondContact O-CB 3.42Å; T653-L657 VanDerWaalsContact O-CG 3.28Å; T653-L657 WeakPolarHBondContact O-CG 3.46Å; T653-L657 PolarHBondContact O-N 2.72Å; T653-H679 HydrophobicContact CG2-CB 3.9Å; T653-H679 WeakPolarHBondContact CG2-ND1 3.46Å; T653-H679 WeakPolarHBondContact CG2-O 3.15Å; T653-L683 VanDerWaalsContact OG1-CD1 3.24Å; T653-L683 WeakPolarHBondContact OG1-CD1 3.41Å; T653-L683 WeakPolarHBondContact OG1-CG 3.46Å
654	E	84.9	Confident	78.7	Confident	74 Å²	74	63.4 Å²	63.4	35%	0.346	34%	0.336	S	S	.	.	H	α-helix	trans	-60.6	-42	176.6	-72.5	169.1	-164.4	0	0	112.1	K650 L651 N658	K650-E654 WeakPolarHBondContact CE-OE1 3.41Å; K650-E654 WeakPolarHBondContact CG-OE1 3.31Å; K650-E654 IonicContact NZ-OE1 3.61Å; K650-E654 WeakPolarHBondContact O-CG 3.43Å; K650-E654 PolarHBondContact O-N 3.1Å; L651-E654 WeakPolarHBondContact CD2-OE2 3.38Å; E654-N658 WeakPolarHBondContact O-CB 3.39Å; E654-N658 PolarHBondContact O-N 2.78Å; E654-N658 VanDerWaalsContact O-N 3.09Å; E654-N658 PolarHBondContact O-ND2 2.86Å
655	L	83.8	Confident	79.3	Confident	68 Å²	68	66.4 Å²	66.4	36%	0.356	35%	0.346	S	S	.	.	H	α-helix	trans	-64.2	-46.1	174	178.8	61.7	0	0	0	111.7	L644 L647 L651 K652 T653 L657 N658 V659	L644-L655 HydrophobicContact CD2-CD2 4.26Å; L647-L655 HydrophobicContact CD2-CD2 4.19Å; L651-L655 VanDerWaalsContact O-CB 3.25Å; L651-L655 WeakPolarHBondContact O-CB 3.46Å; L651-L655 PolarHBondContact O-N 2.86Å; K652-L655 PolarHBondContact O-N 3.26Å; T653-L655 PolarHBondContact O-N 2.58Å; L655-L657 PolarHBondContact O-N 3.39Å; L655-N658 PolarHBondContact O-N 3.06Å; L655-V659 HydrophobicContact CD1-CG2 4.02Å; L655-V659 HydrophobicContact CG-CG2 4.37Å; L655-V659 VanDerWaalsContact O-CG2 3.31Å; L655-V659 WeakPolarHBondContact O-CG2 3.3Å; L655-V659 PolarHBondContact O-N 2.71Å
656	A	80.8	Confident	80	Confident	2 Å²	2	70.7 Å²	70.7	2%	0.017	36%	0.356	C	S	.	.	H	α-helix	trans	-66.1	-37.9	-177.9	0	0	0	0	0	113.1	I641 K652 T653 N660 V682	I641-A656 HydrophobicContact CD1-CB 3.36Å; I641-A656 HydrophobicContact CG2-CB 4.39Å; K652-A656 WeakPolarHBondContact O-CB 3.42Å; K652-A656 PolarHBondContact O-N 3.31Å; T653-A656 PolarHBondContact O-N 3.2Å; A656-N660 WeakPolarHBondContact O-CB 3.46Å; A656-N660 PolarHBondContact O-N 3.07Å; A656-N660 VanDerWaalsContact O-N 3.09Å; A656-N660 PolarHBondContact O-ND2 3.15Å; A656-V682 HydrophobicContact CB-CG1 3.26Å
657	L	81.7	Confident	80.2	Confident	20 Å²	20	64 Å²	64	11%	0.105	32%	0.323	C	S	.	.	H	α-helix	trans	-63.2	-45.5	171.1	-75.4	167.2	0	0	0	111.2	T653 L655 L661 L664 L678 H679 V682	T653-L657 HydrophobicContact CG2-CD1 3.93Å; T653-L657 HydrophobicContact CG2-CG 4.39Å; T653-L657 WeakPolarHBondContact O-CB 3.42Å; T653-L657 VanDerWaalsContact O-CG 3.28Å; T653-L657 WeakPolarHBondContact O-CG 3.46Å; T653-L657 PolarHBondContact O-N 2.72Å; L655-L657 PolarHBondContact O-N 3.39Å; L657-L661 WeakPolarHBondContact O-CA 3.2Å; L657-L661 WeakPolarHBondContact O-CB 3.48Å; L657-L661 PolarHBondContact O-N 3.05Å; L657-L664 HydrophobicContact CD2-CD1 4.4Å; L657-L678 HydrophobicContact CD2-CB 4.44Å; L657-L678 HydrophobicContact CD2-CD2 3.56Å; L657-L678 HydrophobicContact CD2-CG 3.69Å; L657-H679 WeakPolarHBondContact CD1-CE1 3.44Å; L657-H679 VanDerWaalsContact CD1-ND1 3.34Å; L657-H679 WeakPolarHBondContact CD1-ND1 3.39Å; L657-V682 HydrophobicContact CD2-CG2 3.95Å; L657-V682 HydrophobicContact CG-CG1 4.43Å
658	N	80.9	Confident	80	Confident	104 Å²	104	65 Å²	65	56%	0.556	33%	0.332	S	S	*	.	H	α-helix	trans	-66.2	-41.2	178.9	-83	-64.1	0	0	0	113.2	E654 L655	E654-N658 WeakPolarHBondContact O-CB 3.39Å; E654-N658 PolarHBondContact O-N 2.78Å; E654-N658 VanDerWaalsContact O-N 3.09Å; E654-N658 PolarHBondContact O-ND2 2.86Å; L655-N658 PolarHBondContact O-N 3.06Å
659	V	74.3	Confident	79.5	Confident	87 Å²	87	61.8 Å²	61.8	53%	0.527	31%	0.31	S	S	.	.	H	α-helix	trans	-66	-43.5	178.9	171.3	0	0	0	0	111.3	L655	L655-V659 HydrophobicContact CD1-CG2 4.02Å; L655-V659 HydrophobicContact CG-CG2 4.37Å; L655-V659 VanDerWaalsContact O-CG2 3.31Å; L655-V659 WeakPolarHBondContact O-CG2 3.3Å; L655-V659 PolarHBondContact O-N 2.71Å
660	N	74	Confident	79.2	Confident	31 Å²	31	58.5 Å²	58.5	17%	0.166	29%	0.291	C	S	.	.	H	α-helix	trans	-98.5	6.8	-174.7	-61.7	-40.7	0	0	0	113.7	A656 E662 T663 L664 F760	A656-N660 WeakPolarHBondContact O-CB 3.46Å; A656-N660 PolarHBondContact O-N 3.07Å; A656-N660 VanDerWaalsContact O-N 3.09Å; A656-N660 PolarHBondContact O-ND2 3.15Å; N660-E662 VanDerWaalsContact C-N 3.3Å; N660-E662 PolarHBondContact O-N 2.94Å; N660-T663 PolarHBondContact O-N 3.06Å; N660-L664 HydrophobicContact CB-CD1 3.78Å; N660-L664 HydrophobicContact CB-CG 4.02Å; N660-L664 WeakPolarHBondContact O-CG 3.35Å; N660-L664 PolarHBondContact O-N 2.92Å; N660-F760 HydrophobicContact CB-CZ 4.43Å; N660-F760 VanDerWaalsContact OD1-CZ 3.31Å; N660-F760 WeakPolarHBondContact OD1-CZ 3.32Å
661	L	75.9	Confident	78.9	Confident	64 Å²	64	57.3 Å²	57.3	34%	0.335	29%	0.288	S	S	.	.	H	α-helix	trans	-52.6	-45.7	-171.5	-160.9	105.9	0	0	0	112.7	L657 T663 K665	L657-L661 WeakPolarHBondContact O-CA 3.2Å; L657-L661 WeakPolarHBondContact O-CB 3.48Å; L657-L661 PolarHBondContact O-N 3.05Å; L661-T663 VanDerWaalsContact C-N 3.27Å; L661-T663 PolarHBondContact O-N 3.22Å; L661-K665 HydrophobicContact CD2-CD 3.88Å; L661-K665 HydrophobicContact CG-CD 4.05Å; L661-K665 HydrophobicContact CG-CG 4.4Å; L661-K665 WeakPolarHBondContact O-CB 3.37Å; L661-K665 VanDerWaalsContact O-CG 3.26Å; L661-K665 WeakPolarHBondContact O-CG 3.45Å; L661-K665 PolarHBondContact O-N 3.03Å
662	E	75.6	Confident	78.5	Confident	118 Å²	118	59.2 Å²	59.2	55%	0.551	29%	0.294	S	S	*	.	H	α-helix	trans	-64.7	-29.7	-179.1	-68.9	168.8	-168.4	0	0	112.8	N660 K666 K870	N660-E662 VanDerWaalsContact C-N 3.3Å; N660-E662 PolarHBondContact O-N 2.94Å; E662-K666 WeakPolarHBondContact O-CD 3.39Å; E662-K666 VanDerWaalsContact O-CE 3.29Å; E662-K666 WeakPolarHBondContact O-CE 3.38Å; E662-K666 WeakPolarHBondContact O-CG 3.34Å; E662-K870 VanDerWaalsContact CD-NZ 3.26Å; E662-K870 IonicContact OE1-NZ 3.94Å; E662-K870 PolarHBondContact OE1-NZ 3.31Å; E662-K870 IonicContact OE2-NZ 2.69Å; E662-K870 PolarHBondContact OE2-NZ 3.28Å
663	T	74.7	Confident	78.4	Confident	25 Å²	25	59.1 Å²	59.1	15%	0.153	30%	0.296	C	S	.	.	H	α-helix	trans	-83.8	-50.7	177.3	-64.7	0	0	0	0	110.3	N660 L661 K665 K666 A710 F760	N660-T663 PolarHBondContact O-N 3.06Å; L661-T663 VanDerWaalsContact C-N 3.27Å; L661-T663 PolarHBondContact O-N 3.22Å; T663-K665 VanDerWaalsContact C-N 3.29Å; T663-K665 PolarHBondContact O-N 3.27Å; T663-K666 WeakPolarHBondContact O-CB 3.22Å; T663-K666 PolarHBondContact O-N 2.73Å; T663-A710 HydrophobicContact CG2-CB 3.8Å; T663-F760 HydrophobicContact CG2-CD2 4.49Å; T663-F760 HydrophobicContact CG2-CE2 4.19Å
664	L	77.9	Confident	78.4	Confident	4 Å²	4	64 Å²	64	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-63.5	-35.3	-177.5	-62.3	172.1	0	0	0	111.6	L657 N660 K666 V667 F670 L678 V682 M685	L657-L664 HydrophobicContact CD2-CD1 4.4Å; N660-L664 HydrophobicContact CB-CD1 3.78Å; N660-L664 HydrophobicContact CB-CG 4.02Å; N660-L664 WeakPolarHBondContact O-CG 3.35Å; N660-L664 PolarHBondContact O-N 2.92Å; L664-K666 PolarHBondContact O-N 3.25Å; L664-V667 PolarHBondContact O-N 3.39Å; L664-F670 HydrophobicContact CB-CD2 4.45Å; L664-F670 HydrophobicContact CD2-CD2 4.27Å; L664-F670 HydrophobicContact CD2-CE2 3.79Å; L664-L678 HydrophobicContact CB-CD1 4.33Å; L664-L678 HydrophobicContact CB-CD2 4.25Å; L664-L678 HydrophobicContact CD1-CD1 4.19Å; L664-L678 HydrophobicContact CD1-CD2 4.32Å; L664-L678 HydrophobicContact CD1-CG 4.42Å; L664-L678 HydrophobicContact CD2-CD1 4.19Å; L664-L678 HydrophobicContact CG-CD1 4.46Å; L664-V682 HydrophobicContact CD1-CG2 3.5Å; L664-M685 HydrophobicContact CD2-CE 3.7Å; L664-M685 HydrophobicContact CD2-SD 4.01Å
665	K	77	Confident	78.4	Confident	135 Å²	135	64.5 Å²	64.5	59%	0.587	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-5.6	171.5	-75.6	-174.6	174.4	-174.8	0	115	L661 T663 H671	L661-K665 HydrophobicContact CD2-CD 3.88Å; L661-K665 HydrophobicContact CG-CD 4.05Å; L661-K665 HydrophobicContact CG-CG 4.4Å; L661-K665 WeakPolarHBondContact O-CB 3.37Å; L661-K665 VanDerWaalsContact O-CG 3.26Å; L661-K665 WeakPolarHBondContact O-CG 3.45Å; L661-K665 PolarHBondContact O-N 3.03Å; T663-K665 VanDerWaalsContact C-N 3.29Å; T663-K665 PolarHBondContact O-N 3.27Å; K665-H671 PolarHBondContact O-CE1 2.76Å; K665-H671 PolarHBondContact O-NE2 2.88Å
666	K	79.8	Confident	78.4	Confident	117 Å²	117	66 Å²	66	51%	0.509	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-15.4	171.5	-68.3	169.2	-173.4	173.3	0	112.5	E662 T663 L664 T668	E662-K666 WeakPolarHBondContact O-CD 3.39Å; E662-K666 VanDerWaalsContact O-CE 3.29Å; E662-K666 WeakPolarHBondContact O-CE 3.38Å; E662-K666 WeakPolarHBondContact O-CG 3.34Å; T663-K666 WeakPolarHBondContact O-CB 3.22Å; T663-K666 PolarHBondContact O-N 2.73Å; L664-K666 PolarHBondContact O-N 3.25Å; K666-T668 PolarHBondContact O-N 3.09Å
667	V	80.7	Confident	78.7	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.327	C	S	.	.			trans	-76.5	111.8	-177	-176.4	0	0	0	0	109.6	L664 I669 F670 I708 G730 F732	L664-V667 PolarHBondContact O-N 3.39Å; V667-I669 HydrophobicContact CG1-CB 4.34Å; V667-I669 HydrophobicContact CG1-CD1 4.27Å; V667-I669 HydrophobicContact CG1-CG1 4.02Å; V667-I669 PolarHBondContact O-N 3.32Å; V667-I669 VanDerWaalsContact O-N 3.1Å; V667-F670 HydrophobicContact CB-CD2 3.54Å; V667-F670 HydrophobicContact CB-CE2 3.92Å; V667-F670 HydrophobicContact CB-CG 4.28Å; V667-F670 HydrophobicContact CG1-CD2 3.81Å; V667-F670 HydrophobicContact CG1-CE2 3.87Å; V667-F670 HydrophobicContact CG1-CG 4.32Å; V667-F670 HydrophobicContact CG1-CZ 4.48Å; V667-F670 HydrophobicContact CG2-CD2 4.08Å; V667-F670 HydrophobicContact CG2-CE2 4.09Å; V667-F670 PolarHBondContact O-N 3.1Å; V667-I708 HydrophobicContact CG2-CG2 3.51Å; V667-G730 VanDerWaalsContact CA-O 3.3Å; V667-G730 WeakPolarHBondContact CA-O 3.19Å; V667-F732 HydrophobicContact CG1-CD1 4.35Å
668	T	73.1	Confident	78.9	Confident	70 Å²	70	66.5 Å²	66.5	43%	0.429	33%	0.33	S	S	.	.	H	α-helix	trans	-56	-32.1	-172.8	52.2	0	0	0	0	114	K666 F670 H671	K666-T668 PolarHBondContact O-N 3.09Å; T668-F670 VanDerWaalsContact C-N 3.35Å; T668-F670 PolarHBondContact O-N 3.3Å; T668-H671 PolarHBondContact O-N 3.48Å
669	I	74.3	Confident	79	Confident	13 Å²	13	65.5 Å²	65.5	7%	0.067	32%	0.322	C	S	.	.	H	α-helix	trans	-57.9	-47.2	173.7	-38	174.1	0	0	0	111.5	V667 H671 E672 C673 F732 V780 I781	V667-I669 HydrophobicContact CG1-CB 4.34Å; V667-I669 HydrophobicContact CG1-CD1 4.27Å; V667-I669 HydrophobicContact CG1-CG1 4.02Å; V667-I669 PolarHBondContact O-N 3.32Å; V667-I669 VanDerWaalsContact O-N 3.1Å; I669-H671 PolarHBondContact O-N 2.95Å; I669-E672 PolarHBondContact O-N 3.3Å; I669-E672 VanDerWaalsContact O-N 3.1Å; I669-C673 PolarHBondContact O-N 2.96Å; I669-C673 PolarHBondContact O-SG 3.4Å; I669-F732 HydrophobicContact CD1-CD1 3.65Å; I669-F732 HydrophobicContact CD1-CD2 3.6Å; I669-F732 HydrophobicContact CD1-CE1 3.56Å; I669-F732 HydrophobicContact CD1-CE2 3.48Å; I669-F732 VanDerWaalsContact CD1-CE2 3.48Å; I669-F732 HydrophobicContact CD1-CG 3.66Å; I669-F732 HydrophobicContact CD1-CZ 3.44Å; I669-F732 VanDerWaalsContact CD1-CZ 3.44Å; I669-F732 HydrophobicContact CG1-CD1 3.59Å; I669-F732 HydrophobicContact CG1-CD2 4.37Å; I669-F732 HydrophobicContact CG1-CE1 3.2Å; I669-F732 HydrophobicContact CG1-CE2 4.03Å; I669-F732 HydrophobicContact CG1-CG 4.16Å; I669-F732 HydrophobicContact CG1-CZ 3.42Å; I669-F732 VanDerWaalsContact CG1-CZ 3.42Å; I669-V780 HydrophobicContact CG2-CG1 3.96Å; I669-I781 HydrophobicContact CD1-CD1 4.41Å; I669-I781 HydrophobicContact CD1-CG1 4.19Å; I669-I781 HydrophobicContact CG2-CD1 4.02Å; I669-I781 HydrophobicContact CG2-CG1 3.41Å; I669-I781 VanDerWaalsContact CG2-CG1 3.41Å
670	F	77.6	Confident	79.5	Confident	28 Å²	28	64.6 Å²	64.6	12%	0.123	31%	0.314	C	S	.	.	H	α-helix	trans	-74.8	-11.3	-169.5	-58.4	-36.1	0	0	0	112.3	L664 V667 T668 F677 L678 M685 I708	L664-F670 HydrophobicContact CB-CD2 4.45Å; L664-F670 HydrophobicContact CD2-CD2 4.27Å; L664-F670 HydrophobicContact CD2-CE2 3.79Å; V667-F670 HydrophobicContact CB-CD2 3.54Å; V667-F670 HydrophobicContact CB-CE2 3.92Å; V667-F670 HydrophobicContact CB-CG 4.28Å; V667-F670 HydrophobicContact CG1-CD2 3.81Å; V667-F670 HydrophobicContact CG1-CE2 3.87Å; V667-F670 HydrophobicContact CG1-CG 4.32Å; V667-F670 HydrophobicContact CG1-CZ 4.48Å; V667-F670 HydrophobicContact CG2-CD2 4.08Å; V667-F670 HydrophobicContact CG2-CE2 4.09Å; V667-F670 PolarHBondContact O-N 3.1Å; T668-F670 VanDerWaalsContact C-N 3.35Å; T668-F670 PolarHBondContact O-N 3.3Å; F670-F677 HydrophobicContact CD1-CD1 4.23Å; F670-F677 HydrophobicContact CD1-CE1 4.06Å; F670-F677 HydrophobicContact CE1-CD1 4.31Å; F670-F677 AromaticContact CE1-CE1 3.83Å; F670-F677 HydrophobicContact CE1-CE1 3.83Å; F670-L678 HydrophobicContact CB-CD1 4.47Å; F670-L678 HydrophobicContact CD1-CD1 4.08Å; F670-L678 HydrophobicContact CD2-CD1 3.61Å; F670-L678 HydrophobicContact CE1-CD1 4.19Å; F670-L678 HydrophobicContact CE2-CD1 3.76Å; F670-L678 HydrophobicContact CG-CD1 3.81Å; F670-L678 HydrophobicContact CZ-CD1 4.05Å; F670-M685 HydrophobicContact CE2-CE 4.02Å; F670-M685 HydrophobicContact CZ-CE 3.83Å; F670-I708 HydrophobicContact CE2-CD1 3.97Å; F670-I708 HydrophobicContact CZ-CD1 3.8Å
671	H	76.8	Confident	80.2	Confident	130 Å²	130	63.2 Å²	63.2	60%	0.602	31%	0.306	S	S	*	.	H	α-helix	trans	-72.8	-33.1	167.8	-68.2	-47.4	0	0	0	113.5	K665 T668 I669	K665-H671 PolarHBondContact O-CE1 2.76Å; K665-H671 PolarHBondContact O-NE2 2.88Å; T668-H671 PolarHBondContact O-N 3.48Å; I669-H671 PolarHBondContact O-N 2.95Å
672	E	77.1	Confident	80.6	Confident	121 Å²	121	60.5 Å²	60.5	57%	0.565	29%	0.292	S	S	*	.	H	α-helix	trans	-90.4	-8.8	178.5	-63.1	-172.9	-171.9	0	0	112.3	I669 V780	I669-E672 PolarHBondContact O-N 3.3Å; I669-E672 VanDerWaalsContact O-N 3.1Å; E672-V780 HydrophobicContact CB-CG1 3.97Å; E672-V780 HydrophobicContact CB-CG2 3.82Å; E672-V780 WeakPolarHBondContact OE2-CG1 3.36Å
673	C	81.7	Confident	81	Confident	16 Å²	16	56.8 Å²	56.8	11%	0.108	28%	0.276	C	S	.	.	S	Bend	trans	-94.9	153.3	-179.9	-62.6	0	0	0	0	112.7	I669 F677 A777	I669-C673 PolarHBondContact O-N 2.96Å; I669-C673 PolarHBondContact O-SG 3.4Å; C673-F677 HydrophobicContact CB-CD1 3.76Å; C673-F677 HydrophobicContact CB-CE1 4.43Å; C673-F677 HydrophobicContact CB-CG 4.48Å; C673-A777 HydrophobicContact CB-CB 4.45Å; C673-A777 VanDerWaalsContact SG-CB 3.55Å
674	R	84.3	Confident	81.5	Confident	118 Å²	118	58.6 Å²	58.6	45%	0.445	28%	0.282	S	S	.	.			trans	-63.4	143.5	167.9	-79	-168.2	-69.9	161	-5.5	111.3	E676 F677 E776	R674-E676 WeakPolarHBondContact CB-OE2 3.38Å; R674-E676 PolarHBondContact O-N 3.23Å; R674-F677 WeakPolarHBondContact O-CB 3.48Å; R674-F677 PolarHBondContact O-N 3.42Å; R674-E776 IonicContact CZ-OE1 3.39Å; R674-E776 IonicContact CZ-OE2 2.75Å; R674-E776 VanDerWaalsContact NE-CD 3.31Å; R674-E776 IonicContact NE-OE1 3Å; R674-E776 PolarHBondContact NE-OE1 2.86Å; R674-E776 IonicContact NE-OE2 2.68Å; R674-E776 IonicContact NH2-OE1 3.83Å; R674-E776 PolarHBondContact NH2-OE1 3.37Å; R674-E776 IonicContact NH2-OE2 2.98Å; R674-E776 PolarHBondContact NH2-OE2 3.18Å
675	P	83.3	Confident	81.8	Confident	84 Å²	84	59 Å²	59	55%	0.545	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-30	-177.6	24.8	-33.8	0	0	0	113	F677 L678 H679	P675-F677 VanDerWaalsContact C-N 3.26Å; P675-F677 PolarHBondContact O-N 2.88Å; P675-L678 WeakPolarHBondContact O-CA 3.4Å; P675-L678 VanDerWaalsContact O-CB 3.24Å; P675-L678 WeakPolarHBondContact O-CB 3.49Å; P675-L678 PolarHBondContact O-N 3.47Å; P675-H679 PolarHBondContact O-CD2 3.1Å; P675-H679 VanDerWaalsContact O-CD2 3.3Å; P675-H679 PolarHBondContact O-N 3.4Å
676	E	84.7	Confident	82.2	Confident	98 Å²	98	58.9 Å²	58.9	46%	0.458	28%	0.28	S	S	.	.	H	α-helix	trans	-56.2	-38.3	176.6	-64.2	84.8	171.1	0	0	112.3	R674 L678 H679 D680	R674-E676 WeakPolarHBondContact CB-OE2 3.38Å; R674-E676 PolarHBondContact O-N 3.23Å; E676-L678 PolarHBondContact O-N 2.91Å; E676-H679 WeakPolarHBondContact O-CB 3.3Å; E676-H679 PolarHBondContact O-N 3Å; E676-H679 VanDerWaalsContact O-N 3.15Å; E676-D680 PolarHBondContact O-N 2.92Å; E676-D680 VanDerWaalsContact O-N 3.09Å
677	F	87.3	Confident	82.5	Confident	1 Å²	1	55.5 Å²	55.5	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-59.9	-33.5	174.6	176.2	-114.1	0	0	0	112.3	F670 C673 R674 P675 I681 A770 L771 H774 A777 I781	F670-F677 HydrophobicContact CD1-CD1 4.23Å; F670-F677 HydrophobicContact CD1-CE1 4.06Å; F670-F677 HydrophobicContact CE1-CD1 4.31Å; F670-F677 AromaticContact CE1-CE1 3.83Å; F670-F677 HydrophobicContact CE1-CE1 3.83Å; C673-F677 HydrophobicContact CB-CD1 3.76Å; C673-F677 HydrophobicContact CB-CE1 4.43Å; C673-F677 HydrophobicContact CB-CG 4.48Å; R674-F677 WeakPolarHBondContact O-CB 3.48Å; R674-F677 PolarHBondContact O-N 3.42Å; P675-F677 VanDerWaalsContact C-N 3.26Å; P675-F677 PolarHBondContact O-N 2.88Å; F677-I681 HydrophobicContact CD1-CD1 4.31Å; F677-I681 HydrophobicContact CD2-CD1 3.95Å; F677-I681 HydrophobicContact CE1-CD1 3.76Å; F677-I681 HydrophobicContact CE2-CD1 3.33Å; F677-I681 HydrophobicContact CE2-CG1 4.32Å; F677-I681 HydrophobicContact CG-CD1 4.41Å; F677-I681 HydrophobicContact CZ-CD1 3.22Å; F677-I681 PolarHBondContact O-N 2.92Å; F677-A770 HydrophobicContact CD2-CB 4.47Å; F677-A770 HydrophobicContact CE2-CB 4.18Å; F677-L771 HydrophobicContact CE2-CD2 3.62Å; F677-L771 HydrophobicContact CE2-CG 4.39Å; F677-L771 HydrophobicContact CZ-CD2 3.66Å; F677-H774 HydrophobicContact CB-CB 4.27Å; F677-H774 HydrophobicContact CD2-CB 3.62Å; F677-H774 AromaticContact CD2-CD2 3.98Å; F677-H774 AromaticContact CD2-CG 3.82Å; F677-H774 HydrophobicContact CE2-CB 4.32Å; F677-H774 HydrophobicContact CG-CB 4.27Å; F677-A777 HydrophobicContact CD1-CB 3.83Å; F677-A777 HydrophobicContact CD2-CB 3.8Å; F677-A777 HydrophobicContact CE1-CB 3.65Å; F677-A777 HydrophobicContact CE2-CB 3.62Å; F677-A777 HydrophobicContact CG-CB 3.89Å; F677-A777 HydrophobicContact CZ-CB 3.54Å; F677-I781 HydrophobicContact CZ-CD1 4.2Å
678	L	85.4	Confident	82.8	Confident	32 Å²	32	58.3 Å²	58.3	17%	0.168	28%	0.284	C	S	.	.	H	α-helix	trans	-72.8	-41.7	176.9	-165.2	66.2	0	0	0	111.1	L657 L664 F670 P675 E676 D680 I681 V682	L657-L678 HydrophobicContact CD2-CB 4.44Å; L657-L678 HydrophobicContact CD2-CD2 3.56Å; L657-L678 HydrophobicContact CD2-CG 3.69Å; L664-L678 HydrophobicContact CB-CD1 4.33Å; L664-L678 HydrophobicContact CB-CD2 4.25Å; L664-L678 HydrophobicContact CD1-CD1 4.19Å; L664-L678 HydrophobicContact CD1-CD2 4.32Å; L664-L678 HydrophobicContact CD1-CG 4.42Å; L664-L678 HydrophobicContact CD2-CD1 4.19Å; L664-L678 HydrophobicContact CG-CD1 4.46Å; F670-L678 HydrophobicContact CB-CD1 4.47Å; F670-L678 HydrophobicContact CD1-CD1 4.08Å; F670-L678 HydrophobicContact CD2-CD1 3.61Å; F670-L678 HydrophobicContact CE1-CD1 4.19Å; F670-L678 HydrophobicContact CE2-CD1 3.76Å; F670-L678 HydrophobicContact CG-CD1 3.81Å; F670-L678 HydrophobicContact CZ-CD1 4.05Å; P675-L678 WeakPolarHBondContact O-CA 3.4Å; P675-L678 VanDerWaalsContact O-CB 3.24Å; P675-L678 WeakPolarHBondContact O-CB 3.49Å; P675-L678 PolarHBondContact O-N 3.47Å; E676-L678 PolarHBondContact O-N 2.91Å; L678-D680 PolarHBondContact O-N 2.9Å; L678-I681 PolarHBondContact O-N 3.07Å; L678-V682 HydrophobicContact CD1-CG2 3.95Å; L678-V682 HydrophobicContact CG-CG2 3.9Å; L678-V682 VanDerWaalsContact O-CB 3.3Å; L678-V682 WeakPolarHBondContact O-CB 3.12Å; L678-V682 WeakPolarHBondContact O-CG2 3.33Å; L678-V682 PolarHBondContact O-N 3.36Å
679	H	83.9	Confident	83.6	Confident	84 Å²	84	55.6 Å²	55.6	39%	0.389	27%	0.268	S	S	.	.	H	α-helix	trans	-55.9	-41.5	173.4	-76	-94	0	0	0	111.6	T653 L657 P675 E676	T653-H679 HydrophobicContact CG2-CB 3.9Å; T653-H679 WeakPolarHBondContact CG2-ND1 3.46Å; T653-H679 WeakPolarHBondContact CG2-O 3.15Å; L657-H679 WeakPolarHBondContact CD1-CE1 3.44Å; L657-H679 VanDerWaalsContact CD1-ND1 3.34Å; L657-H679 WeakPolarHBondContact CD1-ND1 3.39Å; P675-H679 PolarHBondContact O-CD2 3.1Å; P675-H679 VanDerWaalsContact O-CD2 3.3Å; P675-H679 PolarHBondContact O-N 3.4Å; E676-H679 WeakPolarHBondContact O-CB 3.3Å; E676-H679 PolarHBondContact O-N 3Å; E676-H679 VanDerWaalsContact O-N 3.15Å
680	D	85	Confident	84.5	Confident	68 Å²	68	55.6 Å²	55.6	36%	0.364	27%	0.268	S	S	.	.	H	α-helix	trans	-73.3	-25.1	-177.2	-103.6	38.1	0	0	0	114.6	E676 L678 K684	E676-D680 PolarHBondContact O-N 2.92Å; E676-D680 VanDerWaalsContact O-N 3.09Å; L678-D680 PolarHBondContact O-N 2.9Å; D680-K684 WeakPolarHBondContact O-CD 3.45Å; D680-K684 WeakPolarHBondContact O-CE 3.35Å; D680-K684 PolarHBondContact O-NZ 3.44Å
681	I	87.5	Confident	85.2	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-96.6	-34.7	-178.7	-73.4	-177.9	0	0	0	112.2	F677 L678 L683 K684 M685 L762 I767 A770	F677-I681 HydrophobicContact CD1-CD1 4.31Å; F677-I681 HydrophobicContact CD2-CD1 3.95Å; F677-I681 HydrophobicContact CE1-CD1 3.76Å; F677-I681 HydrophobicContact CE2-CD1 3.33Å; F677-I681 HydrophobicContact CE2-CG1 4.32Å; F677-I681 HydrophobicContact CG-CD1 4.41Å; F677-I681 HydrophobicContact CZ-CD1 3.22Å; F677-I681 PolarHBondContact O-N 2.92Å; L678-I681 PolarHBondContact O-N 3.07Å; I681-L683 VanDerWaalsContact C-N 3.32Å; I681-L683 PolarHBondContact O-N 3.47Å; I681-K684 CarbonylContact O-C 3.59Å; I681-K684 WeakPolarHBondContact O-CA 3.49Å; I681-K684 WeakPolarHBondContact O-CB 3.48Å; I681-K684 PolarHBondContact O-N 3.41Å; I681-M685 HydrophobicContact CG2-CE 3.49Å; I681-M685 VanDerWaalsContact CG2-CE 3.49Å; I681-M685 HydrophobicContact CG2-CG 3.98Å; I681-M685 PolarHBondContact O-N 2.99Å; I681-M685 VanDerWaalsContact O-N 3.16Å; I681-L762 HydrophobicContact CD1-CD2 4.06Å; I681-L762 HydrophobicContact CG1-CD2 4.35Å; I681-L762 HydrophobicContact CG2-CD1 3.9Å; I681-L762 HydrophobicContact CG2-CD2 3.47Å; I681-L762 VanDerWaalsContact CG2-CD2 3.47Å; I681-L762 HydrophobicContact CG2-CG 4.31Å; I681-I767 HydrophobicContact CD1-CG1 4.28Å; I681-A770 HydrophobicContact CD1-CB 4.04Å; I681-A770 HydrophobicContact CG1-CB 3.75Å
682	V	85.2	Confident	86	Confident	8 Å²	8	51.4 Å²	51.4	5%	0.048	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-35.2	-168.7	159	0	0	0	0	113.7	A656 L657 L664 L678 K684 M685	A656-V682 HydrophobicContact CB-CG1 3.26Å; L657-V682 HydrophobicContact CD2-CG2 3.95Å; L657-V682 HydrophobicContact CG-CG1 4.43Å; L664-V682 HydrophobicContact CD1-CG2 3.5Å; L678-V682 HydrophobicContact CD1-CG2 3.95Å; L678-V682 HydrophobicContact CG-CG2 3.9Å; L678-V682 VanDerWaalsContact O-CB 3.3Å; L678-V682 WeakPolarHBondContact O-CB 3.12Å; L678-V682 WeakPolarHBondContact O-CG2 3.33Å; L678-V682 PolarHBondContact O-N 3.36Å; V682-K684 VanDerWaalsContact C-N 3.27Å; V682-K684 PolarHBondContact O-N 2.94Å; V682-M685 HydrophobicContact CG2-CE 4.36Å; V682-M685 PolarHBondContact O-N 3.38Å
683	L	82.7	Confident	86.6	Confident	39 Å²	39	47.8 Å²	47.8	20%	0.204	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-22.1	173.2	-68.4	-173.9	0	0	0	114.1	N642 D649 K652 T653 I681	N642-L683 PolarHBondContact ND2-O 3.15Å; D649-L683 HydrophobicContact CB-CD1 4.21Å; K652-L683 HydrophobicContact CB-CD2 3.61Å; T653-L683 VanDerWaalsContact OG1-CD1 3.24Å; T653-L683 WeakPolarHBondContact OG1-CD1 3.41Å; T653-L683 WeakPolarHBondContact OG1-CG 3.46Å; I681-L683 VanDerWaalsContact C-N 3.32Å; I681-L683 PolarHBondContact O-N 3.47Å
684	K	86.5	Confident	87.1	Confident	64 Å²	64	47.8 Å²	47.8	28%	0.278	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-9.7	-177.9	-50.9	178.9	-169.4	138.2	0	112.2	D680 I681 V682 L762 D766	D680-K684 WeakPolarHBondContact O-CD 3.45Å; D680-K684 WeakPolarHBondContact O-CE 3.35Å; D680-K684 PolarHBondContact O-NZ 3.44Å; I681-K684 CarbonylContact O-C 3.59Å; I681-K684 WeakPolarHBondContact O-CA 3.49Å; I681-K684 WeakPolarHBondContact O-CB 3.48Å; I681-K684 PolarHBondContact O-N 3.41Å; V682-K684 VanDerWaalsContact C-N 3.27Å; V682-K684 PolarHBondContact O-N 2.94Å; K684-L762 HydrophobicContact CB-CD1 3.77Å; K684-D766 HydrophobicContact CB-CB 4.3Å; K684-D766 HydrophobicContact CD-CB 3.86Å
685	M	84.8	Confident	87.5	Confident	13 Å²	13	45.9 Å²	45.9	6%	0.064	25%	0.247	C	C	.	.			trans	-72.8	136.8	173.2	-66.3	-168.1	-174.3	0	0	111	L664 F670 I681 V682 I708 F760	L664-M685 HydrophobicContact CD2-CE 3.7Å; L664-M685 HydrophobicContact CD2-SD 4.01Å; F670-M685 HydrophobicContact CE2-CE 4.02Å; F670-M685 HydrophobicContact CZ-CE 3.83Å; I681-M685 HydrophobicContact CG2-CE 3.49Å; I681-M685 VanDerWaalsContact CG2-CE 3.49Å; I681-M685 HydrophobicContact CG2-CG 3.98Å; I681-M685 PolarHBondContact O-N 2.99Å; I681-M685 VanDerWaalsContact O-N 3.16Å; V682-M685 HydrophobicContact CG2-CE 4.36Å; V682-M685 PolarHBondContact O-N 3.38Å; M685-I708 HydrophobicContact CE-CD1 3.53Å; M685-I708 HydrophobicContact SD-CD1 4.21Å; M685-F760 HydrophobicContact CB-CB 4.22Å; M685-F760 HydrophobicContact CB-CD1 4.26Å; M685-F760 HydrophobicContact CB-CG 4.5Å; M685-F760 HydrophobicContact CG-CB 4.4Å; M685-F760 HydrophobicContact SD-CB 3.86Å; M685-F760 HydrophobicContact SD-CG 4.07Å
686	R	85	Confident	88	Confident	132 Å²	132	43.2 Å²	43.2	50%	0.498	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131.6	174.7	-59.6	-175.5	-63.9	176.2	1.3	110.4	E705 V761	R686-E705 IonicContact CZ-OE1 2.69Å; R686-E705 IonicContact NH2-OE1 2.99Å; R686-E705 PolarHBondContact NH2-OE1 2.95Å; R686-V761 PolarHBondContact N-O 2.71Å; R686-V761 PolarHBondContact O-N 3.17Å
687	P	85.2	Confident	88.3	Confident	46 Å²	46	38.8 Å²	38.8	30%	0.299	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	139.7	175.3	29.6	-35	0	0	0	111.2	Q639 L759 F760	Q639-P687 HydrophobicContact CB-CB 4.28Å; Q639-P687 HydrophobicContact CB-CG 3.92Å; P687-L759 CarbonylContact C-O 3.57Å; P687-L759 WeakPolarHBondContact CA-O 3.14Å; P687-F760 HydrophobicContact CB-CE1 4.4Å
688	L	88.4	Confident	88.6	Confident	59 Å²	59	45.5 Å²	45.5	31%	0.309	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	131.3	175.2	172.1	65.5	0	0	0	109.5	L690 F707 L759 V761	L688-L690 HydrophobicContact CD1-CD2 4.5Å; L688-L690 HydrophobicContact CD2-CD2 4.21Å; L688-L690 HydrophobicContact CG-CD2 4.2Å; L688-L690 HydrophobicContact CG-CG 4.47Å; L688-F707 HydrophobicContact CD2-CD1 4.38Å; L688-F707 HydrophobicContact CD2-CE1 3.92Å; L688-L759 HydrophobicContact CB-CB 4.43Å; L688-L759 PolarHBondContact N-O 3.19Å; L688-L759 PolarHBondContact O-N 3.22Å; L688-V761 HydrophobicContact CB-CG2 3.4Å; L688-V761 VanDerWaalsContact CB-CG2 3.4Å; L688-V761 HydrophobicContact CD2-CG2 3.7Å; L688-V761 HydrophobicContact CG-CG2 4.18Å
689	V	89.9	Confident	88.8	Confident	13 Å²	13	48 Å²	48	8%	0.079	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.1	-179.7	174.8	0	0	0	0	109.3	W625 Y628 E758	W625-V689 PolarHBondContact NE1-O 3.32Å; Y628-V689 HydrophobicContact CD1-CG1 3.53Å; Y628-V689 HydrophobicContact CE1-CG1 3.71Å; V689-E758 HydrophobicContact CG2-CG 4.49Å
690	L	91.8	Very high	89	Confident	13 Å²	13	45.1 Å²	45.1	7%	0.068	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	148	-177	-60.1	171.1	0	0	0	111.5	L688 D694 I696 L714 A753 Y756 A757 L759	L688-L690 HydrophobicContact CD1-CD2 4.5Å; L688-L690 HydrophobicContact CD2-CD2 4.21Å; L688-L690 HydrophobicContact CG-CD2 4.2Å; L688-L690 HydrophobicContact CG-CG 4.47Å; L690-D694 HydrophobicContact CB-CB 4.31Å; L690-D694 HydrophobicContact CD2-CB 4.3Å; L690-I696 HydrophobicContact CD1-CD1 3.32Å; L690-I696 HydrophobicContact CD1-CG1 3.46Å; L690-I696 VanDerWaalsContact CD1-CG1 3.46Å; L690-I696 HydrophobicContact CD2-CG1 4.15Å; L690-I696 HydrophobicContact CG-CG1 4.46Å; L690-L714 HydrophobicContact CD1-CD2 4.41Å; L690-A753 HydrophobicContact CB-CB 4.22Å; L690-A753 HydrophobicContact CD1-CB 4.32Å; L690-Y756 WeakPolarHBondContact O-CA 3.4Å; L690-Y756 WeakPolarHBondContact O-CD1 3.47Å; L690-A757 HydrophobicContact CB-CB 4.38Å; L690-A757 HydrophobicContact CD1-CB 4.29Å; L690-A757 PolarHBondContact N-O 3.49Å; L690-A757 PolarHBondContact O-N 2.81Å; L690-L759 HydrophobicContact CD1-CD1 3.51Å; L690-L759 HydrophobicContact CD1-CG 3.98Å; L690-L759 HydrophobicContact CG-CD1 4.46Å
691	T	92.2	Very high	89.3	Confident	7 Å²	7	45.8 Å²	45.8	4%	0.043	24%	0.237	C	C	.	.			trans	-94.6	157.5	170.8	68.1	0	0	0	0	112.4	R621 W625 G693 D694 Y756	R621-T691 PolarHBondContact NE-OG1 3.45Å; W625-T691 HydrophobicContact CB-CG2 3.67Å; W625-T691 HydrophobicContact CG-CG2 4.17Å; T691-G693 PolarHBondContact O-N 2.91Å; T691-D694 VanDerWaalsContact N-CG 3.33Å; T691-D694 PolarHBondContact N-OD2 3.48Å; T691-D694 VanDerWaalsContact O-CB 3.23Å; T691-D694 WeakPolarHBondContact O-CB 3.42Å; T691-D694 PolarHBondContact O-N 3.44Å; T691-D694 VanDerWaalsContact O-N 3.08Å; T691-D694 VanDerWaalsContact OG1-CG 3.29Å; T691-D694 PolarHBondContact OG1-OD1 2.99Å; T691-D694 PolarHBondContact OG1-OD2 3.27Å; T691-Y756 HydrophobicContact CG2-CD1 4.44Å; T691-Y756 HydrophobicContact CG2-CE1 3.99Å
692	P	93.6	Very high	89.5	Confident	62 Å²	62	50.5 Å²	50.5	40%	0.403	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	129.9	175.9	-24	31.2	0	0	0	112.4	G755 Y756	P692-G755 WeakPolarHBondContact CA-O 3.43Å; P692-Y756 HydrophobicContact CG-CD2 4.07Å; P692-Y756 HydrophobicContact CG-CE2 4.05Å; P692-Y756 HydrophobicContact CG-CG 4.43Å
693	G	90.7	Very high	89.9	Confident	46 Å²	46	50.1 Å²	50.1	47%	0.474	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	-0.6	-177.1	0	0	0	0	0	115.2	T691 L695 A753	T691-G693 PolarHBondContact O-N 2.91Å; G693-L695 PolarHBondContact O-N 3.41Å; G693-A753 WeakPolarHBondContact CA-O 3.29Å; G693-A753 PolarHBondContact N-O 3.13Å
694	D	92	Very high	90.3	Very high	16 Å²	16	56.5 Å²	56.5	9%	0.086	28%	0.28	C	S	.	.			trans	-65.7	126.8	178.3	-73.1	7.3	0	0	0	111.9	R621 L690 T691 R752 A753	R621-D694 IonicContact CZ-OD1 2.68Å; R621-D694 IonicContact NE-OD1 2.65Å; R621-D694 PolarHBondContact NE-OD1 2.85Å; R621-D694 VanDerWaalsContact NH2-CG 3.3Å; R621-D694 IonicContact NH2-OD1 3.44Å; R621-D694 PolarHBondContact NH2-OD1 3.49Å; R621-D694 IonicContact NH2-OD2 3.19Å; L690-D694 HydrophobicContact CB-CB 4.31Å; L690-D694 HydrophobicContact CD2-CB 4.3Å; T691-D694 VanDerWaalsContact N-CG 3.33Å; T691-D694 PolarHBondContact N-OD2 3.48Å; T691-D694 VanDerWaalsContact O-CB 3.23Å; T691-D694 WeakPolarHBondContact O-CB 3.42Å; T691-D694 PolarHBondContact O-N 3.44Å; T691-D694 VanDerWaalsContact O-N 3.08Å; T691-D694 VanDerWaalsContact OG1-CG 3.29Å; T691-D694 PolarHBondContact OG1-OD1 2.99Å; T691-D694 PolarHBondContact OG1-OD2 3.27Å; D694-R752 CarbonylContact O-C 3.57Å; D694-R752 VanDerWaalsContact O-CA 3.29Å; D694-R752 WeakPolarHBondContact O-CA 3.45Å; D694-A753 HydrophobicContact CB-CB 4.39Å; D694-A753 PolarHBondContact O-N 3.28Å
695	L	92.6	Very high	90.6	Very high	78 Å²	78	55.9 Å²	55.9	41%	0.408	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	119.2	168.5	-74	164.3	0	0	0	109.6	G693 L717 V751 R752	G693-L695 PolarHBondContact O-N 3.41Å; L695-L717 HydrophobicContact CD2-CD1 4.41Å; L695-V751 WeakPolarHBondContact CA-O 3.06Å; L695-R752 HydrophobicContact CD2-CB 3.9Å; L695-R752 HydrophobicContact CD2-CG 4.38Å
696	I	92.9	Very high	91	Very high	28 Å²	28	55.6 Å²	55.6	14%	0.144	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-41.3	-172.7	-50.1	159	0	0	0	111	L690 F707 L714 F733 V751 L759	L690-I696 HydrophobicContact CD1-CD1 3.32Å; L690-I696 HydrophobicContact CD1-CG1 3.46Å; L690-I696 VanDerWaalsContact CD1-CG1 3.46Å; L690-I696 HydrophobicContact CD2-CG1 4.15Å; L690-I696 HydrophobicContact CG-CG1 4.46Å; I696-F707 HydrophobicContact CG2-CD1 4.45Å; I696-F707 HydrophobicContact CG2-CD2 4.27Å; I696-F707 HydrophobicContact CG2-CE1 4.12Å; I696-F707 HydrophobicContact CG2-CE2 3.89Å; I696-F707 HydrophobicContact CG2-CZ 3.83Å; I696-L714 HydrophobicContact CD1-CD1 3.61Å; I696-L714 HydrophobicContact CD1-CD2 3.71Å; I696-L714 HydrophobicContact CD1-CG 4.29Å; I696-F733 HydrophobicContact CD1-CZ 3.93Å; I696-F733 HydrophobicContact CG2-CE2 4.23Å; I696-F733 HydrophobicContact CG2-CZ 4.21Å; I696-V751 HydrophobicContact CD1-CG1 4.13Å; I696-V751 PolarHBondContact N-O 3.21Å; I696-L759 HydrophobicContact CD1-CD1 4.01Å; I696-L759 HydrophobicContact CG2-CD1 4.5Å
697	C	92.3	Very high	91.4	Very high	4 Å²	4	49.7 Å²	49.7	3%	0.027	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	136.4	177.4	-68.6	0	0	0	0	107.4	R747 D750 V751	C697-R747 HydrophobicContact CB-CG 4.15Å; C697-R747 PolarHBondContact SG-NE 3.16Å; C697-R747 VanDerWaalsContact SG-NE 3.39Å; C697-D750 WeakPolarHBondContact O-CA 3.24Å; C697-V751 HydrophobicContact CB-CB 4.28Å; C697-V751 HydrophobicContact CB-CG2 4.15Å; C697-V751 PolarHBondContact O-N 2.86Å
698	R	92.1	Very high	91.7	Very high	142 Å²	142	47.8 Å²	47.8	54%	0.536	24%	0.242	S	C	.	.			trans	-111.8	143.5	164.2	-47.2	179.8	-177.1	-164.6	-1	110.6	G700 E701 R747 D750	R698-G700 PolarHBondContact O-N 2.73Å; R698-E701 VanDerWaalsContact CB-CD 3.47Å; R698-E701 HydrophobicContact CB-CG 3.92Å; R698-E701 WeakPolarHBondContact CD-OE1 3.48Å; R698-E701 WeakPolarHBondContact CG-OE1 3.39Å; R698-E701 PolarHBondContact N-OE2 2.97Å; R698-E701 IonicContact NE-OE1 2.63Å; R698-E701 VanDerWaalsContact O-CB 3.31Å; R698-E701 WeakPolarHBondContact O-CB 3.42Å; R698-E701 WeakPolarHBondContact O-CG 3.35Å; R698-E701 PolarHBondContact O-N 3.31Å; R698-E701 VanDerWaalsContact O-N 3.08Å; R698-R747 WeakPolarHBondContact O-CB 3.49Å; R698-D750 VanDerWaalsContact CA-OD1 3.28Å; R698-D750 WeakPolarHBondContact CA-OD1 3.44Å
699	K	89.7	Confident	91.8	Very high	84 Å²	84	45 Å²	45	37%	0.365	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	129.7	177.2	-173.5	-175.2	177.5	-167.3	0	109.4	E701 E719 D750	K699-E701 VanDerWaalsContact C-N 3.34Å; K699-E701 PolarHBondContact O-N 3.34Å; K699-E719 HydrophobicContact CD-CG 3.87Å; K699-E719 IonicContact NZ-OE1 3.15Å; K699-E719 PolarHBondContact NZ-OE1 3.37Å; K699-E719 IonicContact NZ-OE2 3.86Å; K699-E719 PolarHBondContact NZ-OE2 2.88Å; K699-D750 WeakPolarHBondContact CB-OD1 3.38Å; K699-D750 PolarHBondContact N-OD1 2.72Å
700	G	88.8	Confident	91.7	Very high	24 Å²	24	45.2 Å²	45.2	25%	0.247	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	-7.4	179.8	0	0	0	0	0	115.8	R698 R746 R747	R698-G700 PolarHBondContact O-N 2.73Å; G700-R746 WeakPolarHBondContact O-CD 3.27Å; G700-R746 WeakPolarHBondContact O-CG 3.2Å; G700-R746 PolarHBondContact O-NH1 3.39Å; G700-R747 PolarHBondContact N-O 3.01Å
701	E	91.3	Very high	91.6	Very high	83 Å²	83	47.7 Å²	47.7	39%	0.388	24%	0.244	S	C	.	.	S	Bend	trans	-66	155.3	168.9	-71.8	177.2	160.9	0	0	111.6	R698 K699 A703 R746 R747	R698-E701 VanDerWaalsContact CB-CD 3.47Å; R698-E701 HydrophobicContact CB-CG 3.92Å; R698-E701 WeakPolarHBondContact CD-OE1 3.48Å; R698-E701 WeakPolarHBondContact CG-OE1 3.39Å; R698-E701 PolarHBondContact N-OE2 2.97Å; R698-E701 IonicContact NE-OE1 2.63Å; R698-E701 VanDerWaalsContact O-CB 3.31Å; R698-E701 WeakPolarHBondContact O-CB 3.42Å; R698-E701 WeakPolarHBondContact O-CG 3.35Å; R698-E701 PolarHBondContact O-N 3.31Å; R698-E701 VanDerWaalsContact O-N 3.08Å; K699-E701 VanDerWaalsContact C-N 3.34Å; K699-E701 PolarHBondContact O-N 3.34Å; E701-A703 PolarHBondContact O-N 3.42Å; E701-R746 CarbonylContact O-C 3.49Å; E701-R746 WeakPolarHBondContact O-CA 3.38Å; E701-R747 HydrophobicContact CB-CG 4.18Å; E701-R747 PolarHBondContact O-N 3.19Å
702	I	92.3	Very high	91.6	Very high	99 Å²	99	48 Å²	48	51%	0.508	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-71.8	128.8	-179.8	-59.3	171.8	0	0	0	110.1	R704 N745	I702-R704 HydrophobicContact CG2-CG 4.2Å; I702-R704 PolarHBondContact O-N 3.22Å; I702-R704 VanDerWaalsContact O-N 3.15Å; I702-N745 WeakPolarHBondContact CA-O 3.5Å
703	A	92.3	Very high	91.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.249	C	C	.	.			trans	-82.2	97	-177.6	0	0	0	0	0	111.6	E701 G737 V738 N745	E701-A703 PolarHBondContact O-N 3.42Å; A703-G737 VanDerWaalsContact CB-C 3.41Å; A703-V738 HydrophobicContact CB-CG2 4.06Å; A703-N745 WeakPolarHBondContact CB-OD1 3.4Å; A703-N745 PolarHBondContact N-O 2.96Å; A703-N745 PolarHBondContact N-OD1 3.19Å; A703-N745 PolarHBondContact O-OD1 2.86Å
704	R	92.2	Very high	92	Very high	174 Å²	174	46 Å²	46	66%	0.657	23%	0.226	S	C	*	.			trans	-97.4	-19	-177.4	-64.7	-178.8	179.8	172.4	0.1	114.9	I702 R764	I702-R704 HydrophobicContact CG2-CG 4.2Å; I702-R704 PolarHBondContact O-N 3.22Å; I702-R704 VanDerWaalsContact O-N 3.15Å; R704-R764 WeakPolarHBondContact O-CB 3.31Å; R704-R764 PolarHBondContact O-N 3.05Å
705	E	93	Very high	92.1	Very high	51 Å²	51	47 Å²	47	24%	0.238	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	150.1	-166.1	-59.3	179.5	131.1	0	0	110.7	R686 F707 R747 V761 L762	R686-E705 IonicContact CZ-OE1 2.69Å; R686-E705 IonicContact NH2-OE1 2.99Å; R686-E705 PolarHBondContact NH2-OE1 2.95Å; E705-F707 HydrophobicContact CB-CZ 4.26Å; E705-R747 VanDerWaalsContact O-CZ 3.26Å; E705-R747 PolarHBondContact O-NH1 3.08Å; E705-R747 PolarHBondContact O-NH2 3.36Å; E705-V761 HydrophobicContact CB-CG1 3.75Å; E705-V761 HydrophobicContact CG-CG1 3.93Å; E705-V761 WeakPolarHBondContact OE1-CG1 3.3Å; E705-V761 WeakPolarHBondContact OE2-CG1 3.34Å; E705-L762 CarbonylContact C-O 3.56Å; E705-L762 VanDerWaalsContact CA-O 3.23Å; E705-L762 WeakPolarHBondContact CA-O 3.5Å
706	I	92.4	Very high	92.2	Very high	7 Å²	7	44.2 Å²	44.2	4%	0.036	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	144.9	167.7	-72.6	169.1	0	0	0	108.3	E735 V738 L762 I767	I706-E735 HydrophobicContact CD1-CB 4.11Å; I706-E735 HydrophobicContact CG1-CB 4.5Å; I706-V738 HydrophobicContact CD1-CB 4Å; I706-V738 HydrophobicContact CD1-CG1 3.83Å; I706-V738 HydrophobicContact CD1-CG2 4.48Å; I706-V738 HydrophobicContact CG1-CB 3.97Å; I706-V738 HydrophobicContact CG1-CG1 4.14Å; I706-V738 HydrophobicContact CG1-CG2 3.92Å; I706-L762 PolarHBondContact N-O 3Å; I706-L762 PolarHBondContact O-N 3.41Å; I706-I767 HydrophobicContact CD1-CD1 3.52Å; I706-I767 HydrophobicContact CD1-CG2 4.29Å
707	F	93.4	Very high	92.1	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.035	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.9	-178	-60.5	-76.7	0	0	0	110.5	L688 I696 E705 F732 F733 L759 F760 V761	L688-F707 HydrophobicContact CD2-CD1 4.38Å; L688-F707 HydrophobicContact CD2-CE1 3.92Å; I696-F707 HydrophobicContact CG2-CD1 4.45Å; I696-F707 HydrophobicContact CG2-CD2 4.27Å; I696-F707 HydrophobicContact CG2-CE1 4.12Å; I696-F707 HydrophobicContact CG2-CE2 3.89Å; I696-F707 HydrophobicContact CG2-CZ 3.83Å; E705-F707 HydrophobicContact CB-CZ 4.26Å; F707-F732 CarbonylContact O-C 3.13Å; F707-F732 WeakPolarHBondContact O-CA 3.4Å; F707-F732 WeakPolarHBondContact O-CB 3.12Å; F707-F733 HydrophobicContact CB-CD1 3.93Å; F707-F733 HydrophobicContact CB-CD2 4.23Å; F707-F733 HydrophobicContact CB-CE1 3.41Å; F707-F733 VanDerWaalsContact CB-CE1 3.41Å; F707-F733 HydrophobicContact CB-CE2 3.77Å; F707-F733 HydrophobicContact CB-CG 4.3Å; F707-F733 HydrophobicContact CB-CZ 3.32Å; F707-F733 AromaticContact CD2-CD2 3.98Å; F707-F733 HydrophobicContact CD2-CD2 3.98Å; F707-F733 AromaticContact CD2-CE2 3.38Å; F707-F733 HydrophobicContact CD2-CE2 3.38Å; F707-F733 AromaticContact CD2-CZ 3.74Å; F707-F733 HydrophobicContact CD2-CZ 3.74Å; F707-F733 HydrophobicContact CE2-CE2 4.21Å; F707-F733 HydrophobicContact CG-CE1 4.27Å; F707-F733 AromaticContact CG-CE2 3.83Å; F707-F733 HydrophobicContact CG-CE2 3.83Å; F707-F733 AromaticContact CG-CZ 3.67Å; F707-F733 HydrophobicContact CG-CZ 3.67Å; F707-F733 PolarHBondContact N-O 2.92Å; F707-F733 PolarHBondContact O-N 3.35Å; F707-L759 HydrophobicContact CB-CD1 4.34Å; F707-L759 HydrophobicContact CD1-CD1 4.18Å; F707-L759 HydrophobicContact CG-CD1 4.47Å; F707-F760 CarbonylContact C-O 3.57Å; F707-F760 WeakPolarHBondContact CA-O 3.39Å; F707-V761 HydrophobicContact CD1-CB 4.35Å; F707-V761 HydrophobicContact CD1-CG1 4.17Å; F707-V761 HydrophobicContact CD1-CG2 3.87Å; F707-V761 HydrophobicContact CE1-CB 4.3Å; F707-V761 HydrophobicContact CE1-CG1 3.76Å; F707-V761 HydrophobicContact CE1-CG2 3.78Å
708	I	90.8	Very high	91.7	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.026	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.4	174.7	-61.5	165.2	0	0	0	107.2	V667 F670 M685 F732 L759 F760	V667-I708 HydrophobicContact CG2-CG2 3.51Å; F670-I708 HydrophobicContact CE2-CD1 3.97Å; F670-I708 HydrophobicContact CZ-CD1 3.8Å; M685-I708 HydrophobicContact CE-CD1 3.53Å; M685-I708 HydrophobicContact SD-CD1 4.21Å; I708-F732 HydrophobicContact CG1-CB 4.07Å; I708-L759 CarbonylContact O-C 3.57Å; I708-L759 WeakPolarHBondContact O-CA 3.18Å; I708-F760 HydrophobicContact CB-CB 4.3Å; I708-F760 PolarHBondContact N-O 2.67Å; I708-F760 PolarHBondContact O-N 3.35Å
709	I	92	Very high	91.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	117.1	-177.6	-51.4	177.9	0	0	0	109.5	L714 M727 G728 G730 D731 F733 L759	I709-L714 HydrophobicContact CD1-CB 4.27Å; I709-L714 HydrophobicContact CD1-CD1 3.66Å; I709-L714 HydrophobicContact CD1-CG 3.87Å; I709-L714 HydrophobicContact CG1-CD1 3.94Å; I709-L714 HydrophobicContact CG1-CG 4.46Å; I709-M727 HydrophobicContact CD1-CB 3.53Å; I709-G728 WeakPolarHBondContact CB-O 3.35Å; I709-G730 PolarHBondContact O-N 3.49Å; I709-D731 WeakPolarHBondContact CB-O 3.42Å; I709-D731 HydrophobicContact CD1-CB 4.08Å; I709-D731 WeakPolarHBondContact CG1-O 3.21Å; I709-D731 PolarHBondContact N-O 3.39Å; I709-F733 HydrophobicContact CD1-CD1 4.43Å; I709-F733 HydrophobicContact CD1-CE1 4.38Å; I709-F733 HydrophobicContact CG1-CD1 4.29Å; I709-F733 HydrophobicContact CG1-CE1 4.04Å; I709-L759 HydrophobicContact CB-CD2 4.01Å; I709-L759 HydrophobicContact CG1-CD2 3.79Å; I709-L759 HydrophobicContact CG2-CD2 4.02Å
710	A	88	Confident	90.8	Very high	18 Å²	18	44.9 Å²	44.9	15%	0.149	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-44.1	176.4	0	0	0	0	0	112.2	T663 E758 F760	T663-A710 HydrophobicContact CG2-CB 3.8Å; A710-E758 WeakPolarHBondContact CA-O 3.34Å; A710-E758 HydrophobicContact CB-CB 4.48Å; A710-E758 WeakPolarHBondContact CB-O 3.38Å; A710-E758 PolarHBondContact N-O 3.45Å; A710-F760 HydrophobicContact CB-CD2 4.03Å; A710-F760 HydrophobicContact CB-CE2 3.69Å
711	D	89.7	Confident	90.5	Very high	66 Å²	66	49 Å²	49	35%	0.353	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	155.7	176.7	-169	15.7	0	0	0	110.2	K632 A757 E758	K632-D711 IonicContact NZ-OD2 2.82Å; K632-D711 PolarHBondContact NZ-OD2 3.31Å; D711-A757 WeakPolarHBondContact O-CA 3.34Å; D711-E758 HydrophobicContact CB-CB 4.08Å; D711-E758 HydrophobicContact CB-CG 4.36Å; D711-E758 PolarHBondContact N-O 2.9Å; D711-E758 VanDerWaalsContact N-O 3.1Å; D711-E758 PolarHBondContact O-N 3.45Å
712	G	92.1	Very high	90.2	Very high	14 Å²	14	50.2 Å²	50.2	14%	0.144	25%	0.25	C	C	.	.	S	Bend	trans	87.4	-177	-178.8	0	0	0	0	0	115.6	P729	G712-P729 WeakPolarHBondContact O-CD 3.47Å
713	V	95.5	Very high	90	Very high	66 Å²	66	49 Å²	49	40%	0.4	25%	0.247	S	C	.	.			trans	-128.7	133	-175.5	179.8	0	0	0	0	110	V754	V713-V754 HydrophobicContact CG1-CG2 4.22Å; V713-V754 PolarHBondContact O-N 3.46Å
714	L	96.3	Very high	89.7	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	150.4	176.4	-55.2	-174.4	0	0	0	111.1	L690 I696 I709 T726 M727 F733 V751 R752 A753 A757 L759	L690-L714 HydrophobicContact CD1-CD2 4.41Å; I696-L714 HydrophobicContact CD1-CD1 3.61Å; I696-L714 HydrophobicContact CD1-CD2 3.71Å; I696-L714 HydrophobicContact CD1-CG 4.29Å; I709-L714 HydrophobicContact CD1-CB 4.27Å; I709-L714 HydrophobicContact CD1-CD1 3.66Å; I709-L714 HydrophobicContact CD1-CG 3.87Å; I709-L714 HydrophobicContact CG1-CD1 3.94Å; I709-L714 HydrophobicContact CG1-CG 4.46Å; L714-T726 CarbonylContact O-C 3.59Å; L714-T726 WeakPolarHBondContact O-CA 3.3Å; L714-M727 HydrophobicContact CB-CB 4.49Å; L714-M727 HydrophobicContact CB-CE 4.04Å; L714-M727 HydrophobicContact CD1-CE 4.26Å; L714-M727 PolarHBondContact N-O 3.46Å; L714-M727 PolarHBondContact O-N 3.5Å; L714-F733 HydrophobicContact CD1-CD1 4.15Å; L714-F733 HydrophobicContact CD1-CE1 3.25Å; L714-F733 HydrophobicContact CD1-CZ 3.54Å; L714-V751 HydrophobicContact CB-CG1 4.15Å; L714-V751 HydrophobicContact CD1-CG1 4.08Å; L714-R752 CarbonylContact C-O 3.51Å; L714-R752 VanDerWaalsContact CA-O 3.32Å; L714-R752 WeakPolarHBondContact CA-O 3.35Å; L714-A753 HydrophobicContact CD2-CB 3.74Å; L714-A757 HydrophobicContact CD2-CB 3.86Å; L714-L759 HydrophobicContact CD1-CD1 4.36Å; L714-L759 HydrophobicContact CD1-CD2 4.1Å
715	E	94.9	Very high	89.6	Confident	37 Å²	37	45.1 Å²	45.1	17%	0.173	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.3	173.4	-76.7	168	169.6	0	0	110	L717 V723 T726 V751 R752 V754	E715-L717 HydrophobicContact CB-CD2 4.27Å; E715-V723 HydrophobicContact CB-CG1 4.21Å; E715-V723 HydrophobicContact CB-CG2 4.5Å; E715-V723 HydrophobicContact CG-CG1 3.93Å; E715-V723 HydrophobicContact CG-CG2 4.26Å; E715-T726 HydrophobicContact CG-CG2 3.99Å; E715-V751 CarbonylContact O-C 3.5Å; E715-V751 WeakPolarHBondContact O-CA 3.41Å; E715-R752 PolarHBondContact N-O 2.7Å; E715-R752 PolarHBondContact O-N 3.02Å; E715-R752 IonicContact OE2-CZ 2.71Å; E715-R752 IonicContact OE2-NE 3.47Å; E715-R752 PolarHBondContact OE2-NE 2.89Å; E715-R752 IonicContact OE2-NH2 3.94Å; E715-R752 PolarHBondContact OE2-NH2 2.91Å; E715-V754 HydrophobicContact CB-CG2 4.35Å; E715-V754 HydrophobicContact CG-CG2 3.52Å
716	V	93.2	Very high	89.6	Confident	19 Å²	19	47.1 Å²	47.1	12%	0.115	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	123.3	167.6	-174.3	0	0	0	0	108	L724 S725 M727 A749 D750 V751	V716-L724 PolarHBondContact O-N 3.08Å; V716-S725 WeakPolarHBondContact CB-OG 3.21Å; V716-S725 WeakPolarHBondContact CG2-OG 3.29Å; V716-S725 PolarHBondContact N-O 3.06Å; V716-M727 HydrophobicContact CG2-CE 3.63Å; V716-M727 HydrophobicContact CG2-CG 4.32Å; V716-M727 HydrophobicContact CG2-SD 3.9Å; V716-A749 HydrophobicContact CG1-CB 3.65Å; V716-D750 CarbonylContact C-O 3.42Å; V716-D750 WeakPolarHBondContact CA-O 3.41Å; V716-V751 HydrophobicContact CG2-CG2 4.43Å
717	L	91.8	Very high	89.5	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	145.7	-175.8	-55.3	175	0	0	0	111.8	L695 E715 E722 V723 D750 R752	L695-L717 HydrophobicContact CD2-CD1 4.41Å; E715-L717 HydrophobicContact CB-CD2 4.27Å; L717-E722 CarbonylContact C-O 3.59Å; L717-E722 WeakPolarHBondContact CA-O 3.47Å; L717-V723 HydrophobicContact CD2-CG2 3.89Å; L717-D750 HydrophobicContact CB-CB 3.97Å; L717-D750 PolarHBondContact N-O 3.08Å; L717-R752 HydrophobicContact CD1-CB 3.98Å
718	S	83.6	Confident	89.4	Confident	20 Å²	20	48 Å²	48	14%	0.14	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-78.3	170.1	169.2	-163.5	0	0	0	0	111.4	E720 N721 E722	S718-E720 PolarHBondContact O-N 3.18Å; S718-N721 WeakPolarHBondContact O-CA 3.48Å; S718-N721 PolarHBondContact O-N 2.82Å; S718-E722 WeakPolarHBondContact CB-O 3.39Å; S718-E722 PolarHBondContact N-O 3.34Å
719	E	82.1	Confident	89.4	Confident	132 Å²	132	50.7 Å²	50.7	62%	0.617	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-28.5	170.4	-72.5	170.3	113.7	0	0	112.4	K699 N721	K699-E719 HydrophobicContact CD-CG 3.87Å; K699-E719 IonicContact NZ-OE1 3.15Å; K699-E719 PolarHBondContact NZ-OE1 3.37Å; K699-E719 IonicContact NZ-OE2 3.86Å; K699-E719 PolarHBondContact NZ-OE2 2.88Å; E719-N721 PolarHBondContact O-N 3.03Å
720	E	81.8	Confident	89.1	Confident	116 Å²	116	50.9 Å²	50.9	54%	0.542	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	14.8	173.8	-59.2	-173.5	-166.7	0	0	112.1	S718 E722 K803	S718-E720 PolarHBondContact O-N 3.18Å; E720-E722 HydrophobicContact CB-CG 4.25Å; E720-E722 PolarHBondContact O-N 2.94Å; E720-E722 VanDerWaalsContact O-N 3.1Å; E720-K803 IonicContact OE1-NZ 3.45Å; E720-K803 PolarHBondContact OE1-NZ 2.94Å; E720-K803 IonicContact OE2-NZ 3.59Å
721	N	80.9	Confident	89.2	Confident	111 Å²	111	52.6 Å²	52.6	59%	0.594	30%	0.295	S	S	*	.	S	Bend	trans	59.3	8.6	-174.3	-88.4	-42.5	0	0	0	116.1	S718 E719	S718-N721 WeakPolarHBondContact O-CA 3.48Å; S718-N721 PolarHBondContact O-N 2.82Å; E719-N721 PolarHBondContact O-N 3.03Å
722	E	86.2	Confident	89.2	Confident	107 Å²	107	49.5 Å²	49.5	50%	0.5	28%	0.278	S	S	.	.			trans	-70.2	142.7	174.4	-58.4	-172.9	140.1	0	0	112.1	L717 S718 E720 L724	L717-E722 CarbonylContact C-O 3.59Å; L717-E722 WeakPolarHBondContact CA-O 3.47Å; S718-E722 WeakPolarHBondContact CB-O 3.39Å; S718-E722 PolarHBondContact N-O 3.34Å; E720-E722 HydrophobicContact CB-CG 4.25Å; E720-E722 PolarHBondContact O-N 2.94Å; E720-E722 VanDerWaalsContact O-N 3.1Å; E722-L724 PolarHBondContact O-N 2.92Å
723	V	88.7	Confident	89.2	Confident	73 Å²	73	49.3 Å²	49.3	44%	0.442	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	110.9	177.3	-179.3	0	0	0	0	109.8	E715 L717 T726	E715-V723 HydrophobicContact CB-CG1 4.21Å; E715-V723 HydrophobicContact CB-CG2 4.5Å; E715-V723 HydrophobicContact CG-CG1 3.93Å; E715-V723 HydrophobicContact CG-CG2 4.26Å; L717-V723 HydrophobicContact CD2-CG2 3.89Å; V723-T726 HydrophobicContact CG1-CG2 4.4Å
724	L	85.8	Confident	89	Confident	43 Å²	43	46.9 Å²	46.9	23%	0.225	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	-35.1	179	-65.2	175.8	0	0	0	112.5	V716 E722 R795	V716-L724 PolarHBondContact O-N 3.08Å; E722-L724 PolarHBondContact O-N 2.92Å; L724-R795 PolarHBondContact O-NH1 2.96Å
725	S	88.9	Confident	88.6	Confident	50 Å²	50	47 Å²	47	35%	0.35	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	141.9	178.6	52.1	0	0	0	0	110.8	V716	V716-S725 WeakPolarHBondContact CB-OG 3.21Å; V716-S725 WeakPolarHBondContact CG2-OG 3.29Å; V716-S725 PolarHBondContact N-O 3.06Å
726	T	92.5	Very high	88.4	Confident	94 Å²	94	46.3 Å²	46.3	58%	0.577	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	149.7	163.6	46.5	0	0	0	0	110.3	L714 E715 V723	L714-T726 CarbonylContact O-C 3.59Å; L714-T726 WeakPolarHBondContact O-CA 3.3Å; E715-T726 HydrophobicContact CG-CG2 3.99Å; V723-T726 HydrophobicContact CG1-CG2 4.4Å
727	M	92.1	Very high	88.1	Confident	13 Å²	13	45.5 Å²	45.5	6%	0.064	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	138.6	175.6	-59.8	-178.1	-62.1	0	0	109	I709 L714 V716 D731 F733 V751	I709-M727 HydrophobicContact CD1-CB 3.53Å; L714-M727 HydrophobicContact CB-CB 4.49Å; L714-M727 HydrophobicContact CB-CE 4.04Å; L714-M727 HydrophobicContact CD1-CE 4.26Å; L714-M727 PolarHBondContact N-O 3.46Å; L714-M727 PolarHBondContact O-N 3.5Å; V716-M727 HydrophobicContact CG2-CE 3.63Å; V716-M727 HydrophobicContact CG2-CG 4.32Å; V716-M727 HydrophobicContact CG2-SD 3.9Å; M727-D731 WeakPolarHBondContact CA-OD2 3.42Å; M727-D731 HydrophobicContact CB-CB 3.99Å; M727-F733 HydrophobicContact CE-CB 4.03Å; M727-F733 HydrophobicContact CE-CD1 3.71Å; M727-F733 HydrophobicContact CE-CD2 4.46Å; M727-F733 HydrophobicContact CE-CE1 4.3Å; M727-F733 HydrophobicContact CE-CG 3.82Å; M727-F733 HydrophobicContact SD-CB 3.94Å; M727-F733 HydrophobicContact SD-CD1 4.31Å; M727-F733 HydrophobicContact SD-CG 4.34Å; M727-V751 HydrophobicContact CE-CG1 3.71Å
728	G	91.5	Very high	87.9	Confident	20 Å²	20	45.3 Å²	45.3	21%	0.206	25%	0.254	C	S	.	.			trans	-121.7	-175	-175.1	0	0	0	0	0	114.1	I709 G730 D731	I709-G728 WeakPolarHBondContact CB-O 3.35Å; G728-G730 PolarHBondContact O-N 2.95Å; G728-D731 PolarHBondContact N-OD2 2.98Å; G728-D731 WeakPolarHBondContact O-CB 3.45Å; G728-D731 PolarHBondContact O-N 3.33Å
729	P	89.6	Confident	88.1	Confident	62 Å²	62	45.3 Å²	45.3	40%	0.403	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	123.9	179.2	-25.9	36.8	0	0	0	112.4	G712	G712-P729 WeakPolarHBondContact O-CD 3.47Å
730	G	85.6	Confident	88.2	Confident	4 Å²	4	42.2 Å²	42.2	4%	0.041	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.9	-21.4	-172	0	0	0	0	0	114.2	V667 I709 G728	V667-G730 VanDerWaalsContact CA-O 3.3Å; V667-G730 WeakPolarHBondContact CA-O 3.19Å; I709-G730 PolarHBondContact O-N 3.49Å; G728-G730 PolarHBondContact O-N 2.95Å
731	D	89.9	Confident	87.9	Confident	54 Å²	54	39.2 Å²	39.2	29%	0.289	23%	0.227	S	C	.	.			trans	-71.2	158.3	171.2	-72.5	-47.9	0	0	0	111.5	I709 M727 G728	I709-D731 WeakPolarHBondContact CB-O 3.42Å; I709-D731 HydrophobicContact CD1-CB 4.08Å; I709-D731 WeakPolarHBondContact CG1-O 3.21Å; I709-D731 PolarHBondContact N-O 3.39Å; M727-D731 WeakPolarHBondContact CA-OD2 3.42Å; M727-D731 HydrophobicContact CB-CB 3.99Å; G728-D731 PolarHBondContact N-OD2 2.98Å; G728-D731 WeakPolarHBondContact O-CB 3.45Å; G728-D731 PolarHBondContact O-N 3.33Å
732	F	90.9	Very high	87.4	Confident	1 Å²	1	36.1 Å²	36.1	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	158.8	174.5	73.7	-79.6	0	0	0	110.3	V667 I669 F707 I708 E735 H784 R788	V667-F732 HydrophobicContact CG1-CD1 4.35Å; I669-F732 HydrophobicContact CD1-CD1 3.65Å; I669-F732 HydrophobicContact CD1-CD2 3.6Å; I669-F732 HydrophobicContact CD1-CE1 3.56Å; I669-F732 HydrophobicContact CD1-CE2 3.48Å; I669-F732 VanDerWaalsContact CD1-CE2 3.48Å; I669-F732 HydrophobicContact CD1-CG 3.66Å; I669-F732 HydrophobicContact CD1-CZ 3.44Å; I669-F732 VanDerWaalsContact CD1-CZ 3.44Å; I669-F732 HydrophobicContact CG1-CD1 3.59Å; I669-F732 HydrophobicContact CG1-CD2 4.37Å; I669-F732 HydrophobicContact CG1-CE1 3.2Å; I669-F732 HydrophobicContact CG1-CE2 4.03Å; I669-F732 HydrophobicContact CG1-CG 4.16Å; I669-F732 HydrophobicContact CG1-CZ 3.42Å; I669-F732 VanDerWaalsContact CG1-CZ 3.42Å; F707-F732 CarbonylContact O-C 3.13Å; F707-F732 WeakPolarHBondContact O-CA 3.4Å; F707-F732 WeakPolarHBondContact O-CB 3.12Å; I708-F732 HydrophobicContact CG1-CB 4.07Å; F732-E735 HydrophobicContact CE2-CB 4.04Å; F732-E735 HydrophobicContact CE2-CG 3.83Å; F732-H784 AromaticContact CE1-CE1 3.65Å; F732-H784 AromaticContact CE1-ND1 3.75Å; F732-H784 AromaticContact CZ-CE1 3.66Å; F732-H784 AromaticContact CZ-ND1 3.26Å; F732-H784 VanDerWaalsContact CZ-ND1 3.26Å; F732-H784 WeakPolarHBondContact CZ-ND1 3.48Å; F732-R788 PolarHBondContact O-NH1 3.35Å; F732-R788 PolarHBondContact O-NH2 3.28Å
733	F	91.8	Very high	86.7	Confident	10 Å²	10	34.4 Å²	34.4	4%	0.044	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	163.6	-179.7	64.8	-81.1	0	0	0	113.4	I696 F707 I709 L714 M727 E735 V751 L759	I696-F733 HydrophobicContact CD1-CZ 3.93Å; I696-F733 HydrophobicContact CG2-CE2 4.23Å; I696-F733 HydrophobicContact CG2-CZ 4.21Å; F707-F733 HydrophobicContact CB-CD1 3.93Å; F707-F733 HydrophobicContact CB-CD2 4.23Å; F707-F733 HydrophobicContact CB-CE1 3.41Å; F707-F733 VanDerWaalsContact CB-CE1 3.41Å; F707-F733 HydrophobicContact CB-CE2 3.77Å; F707-F733 HydrophobicContact CB-CG 4.3Å; F707-F733 HydrophobicContact CB-CZ 3.32Å; F707-F733 AromaticContact CD2-CD2 3.98Å; F707-F733 HydrophobicContact CD2-CD2 3.98Å; F707-F733 AromaticContact CD2-CE2 3.38Å; F707-F733 HydrophobicContact CD2-CE2 3.38Å; F707-F733 AromaticContact CD2-CZ 3.74Å; F707-F733 HydrophobicContact CD2-CZ 3.74Å; F707-F733 HydrophobicContact CE2-CE2 4.21Å; F707-F733 HydrophobicContact CG-CE1 4.27Å; F707-F733 AromaticContact CG-CE2 3.83Å; F707-F733 HydrophobicContact CG-CE2 3.83Å; F707-F733 AromaticContact CG-CZ 3.67Å; F707-F733 HydrophobicContact CG-CZ 3.67Å; F707-F733 PolarHBondContact N-O 2.92Å; F707-F733 PolarHBondContact O-N 3.35Å; I709-F733 HydrophobicContact CD1-CD1 4.43Å; I709-F733 HydrophobicContact CD1-CE1 4.38Å; I709-F733 HydrophobicContact CG1-CD1 4.29Å; I709-F733 HydrophobicContact CG1-CE1 4.04Å; L714-F733 HydrophobicContact CD1-CD1 4.15Å; L714-F733 HydrophobicContact CD1-CE1 3.25Å; L714-F733 HydrophobicContact CD1-CZ 3.54Å; M727-F733 HydrophobicContact CE-CB 4.03Å; M727-F733 HydrophobicContact CE-CD1 3.71Å; M727-F733 HydrophobicContact CE-CD2 4.46Å; M727-F733 HydrophobicContact CE-CE1 4.3Å; M727-F733 HydrophobicContact CE-CG 3.82Å; M727-F733 HydrophobicContact SD-CB 3.94Å; M727-F733 HydrophobicContact SD-CD1 4.31Å; M727-F733 HydrophobicContact SD-CG 4.34Å; F733-E735 WeakPolarHBondContact CA-OE2 3.4Å; F733-V751 HydrophobicContact CD2-CG1 4.33Å; F733-V751 HydrophobicContact CD2-CG2 4.08Å; F733-V751 HydrophobicContact CE2-CB 4.25Å; F733-V751 HydrophobicContact CE2-CG1 3.99Å; F733-V751 HydrophobicContact CE2-CG2 4.26Å; F733-V751 HydrophobicContact CZ-CG1 4.23Å; F733-L759 HydrophobicContact CE1-CD1 4.27Å; F733-L759 HydrophobicContact CZ-CD1 3.99Å
734	G	90.5	Very high	86.2	Confident	14 Å²	14	35.7 Å²	35.7	14%	0.144	23%	0.225	C	C	.	.			trans	97.7	-0.8	177.2	0	0	0	0	0	114.5	I736 V738 R747	G734-I736 PolarHBondContact O-N 2.84Å; G734-V738 PolarHBondContact O-N 2.69Å; G734-R747 PolarHBondContact O-NH1 3.35Å
735	E	89	Confident	86.2	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.019	23%	0.226	C	C	.	.	H	α-helix	trans	-62.8	-37.4	-177.9	74.3	-75.2	-168.7	0	0	113.5	I706 F732 F733 G737 V738 L739 I781 A785 R788	I706-E735 HydrophobicContact CD1-CB 4.11Å; I706-E735 HydrophobicContact CG1-CB 4.5Å; F732-E735 HydrophobicContact CE2-CB 4.04Å; F732-E735 HydrophobicContact CE2-CG 3.83Å; F733-E735 WeakPolarHBondContact CA-OE2 3.4Å; E735-G737 PolarHBondContact O-N 2.69Å; E735-V738 PolarHBondContact O-N 3.48Å; E735-L739 WeakPolarHBondContact O-CB 3.24Å; E735-L739 WeakPolarHBondContact O-CG 3.45Å; E735-L739 PolarHBondContact O-N 2.99Å; E735-I781 HydrophobicContact CB-CG2 3.95Å; E735-I781 HydrophobicContact CG-CG2 4.34Å; E735-A785 HydrophobicContact CG-CB 3.57Å; E735-R788 VanDerWaalsContact CD-NH1 3.34Å; E735-R788 WeakPolarHBondContact OE1-CD 3.49Å; E735-R788 IonicContact OE1-CZ 2.69Å; E735-R788 IonicContact OE1-NE 3.23Å; E735-R788 IonicContact OE1-NH1 2.61Å; E735-R788 PolarHBondContact OE1-NH1 3.25Å; E735-R788 IonicContact OE2-NH1 2.69Å; E735-R788 PolarHBondContact OE2-NH1 3.07Å
736	I	89.5	Confident	86.3	Confident	21 Å²	21	40 Å²	40	11%	0.108	23%	0.234	C	C	.	.	H	α-helix	trans	-58.9	-48.2	-174.9	-62.6	170.3	0	0	0	111.1	G734 N740 L741 D742 A785 R788 L789	G734-I736 PolarHBondContact O-N 2.84Å; I736-N740 PolarHBondContact O-N 2.89Å; I736-L741 HydrophobicContact CG2-CB 4.44Å; I736-L741 PolarHBondContact O-N 3Å; I736-L741 VanDerWaalsContact O-N 3.12Å; I736-D742 WeakPolarHBondContact CG2-OD2 3.43Å; I736-A785 HydrophobicContact CG1-CB 4.06Å; I736-R788 HydrophobicContact CD1-CB 4.18Å; I736-L789 HydrophobicContact CD1-CB 4.25Å; I736-L789 HydrophobicContact CG2-CD1 3.93Å
737	G	87.6	Confident	86.2	Confident	2 Å²	2	36.6 Å²	36.6	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-73.7	-38	179.8	0	0	0	0	0	112.8	A703 E735 L739 N740 N745 R746	A703-G737 VanDerWaalsContact CB-C 3.41Å; E735-G737 PolarHBondContact O-N 2.69Å; G737-L739 PolarHBondContact O-N 3.03Å; G737-N740 PolarHBondContact O-N 2.92Å; G737-N740 VanDerWaalsContact O-N 3.12Å; G737-N740 PolarHBondContact O-OD1 2.86Å; G737-N745 PolarHBondContact O-OD1 2.87Å; G737-R746 WeakPolarHBondContact CA-O 3.39Å
738	V	88.3	Confident	86	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-68.2	-35.6	-178.9	167.5	0	0	0	0	112.1	A703 I706 G734 E735 N740 R764 I767	A703-V738 HydrophobicContact CB-CG2 4.06Å; I706-V738 HydrophobicContact CD1-CB 4Å; I706-V738 HydrophobicContact CD1-CG1 3.83Å; I706-V738 HydrophobicContact CD1-CG2 4.48Å; I706-V738 HydrophobicContact CG1-CB 3.97Å; I706-V738 HydrophobicContact CG1-CG1 4.14Å; I706-V738 HydrophobicContact CG1-CG2 3.92Å; G734-V738 PolarHBondContact O-N 2.69Å; E735-V738 PolarHBondContact O-N 3.48Å; V738-N740 VanDerWaalsContact C-N 3.27Å; V738-N740 PolarHBondContact O-N 3.01Å; V738-R764 HydrophobicContact CG1-CB 4.08Å; V738-R764 HydrophobicContact CG1-CG 4.02Å; V738-I767 HydrophobicContact CG1-CG2 3.92Å
739	L	86.5	Confident	85.9	Confident	19 Å²	19	37.3 Å²	37.3	10%	0.099	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	3.1	172.9	-66.2	-179.1	0	0	0	114	E735 G737 L741 L768 L771 I781 R782	E735-L739 WeakPolarHBondContact O-CB 3.24Å; E735-L739 WeakPolarHBondContact O-CG 3.45Å; E735-L739 PolarHBondContact O-N 2.99Å; G737-L739 PolarHBondContact O-N 3.03Å; L739-L741 VanDerWaalsContact C-N 3.25Å; L739-L741 HydrophobicContact CB-CD1 3.89Å; L739-L741 HydrophobicContact CB-CG 3.93Å; L739-L741 HydrophobicContact CD1-CD1 4.08Å; L739-L741 PolarHBondContact O-N 3.24Å; L739-L768 HydrophobicContact CD2-CD2 4.4Å; L739-L771 HydrophobicContact CD2-CD1 3.88Å; L739-I781 HydrophobicContact CD1-CB 4.3Å; L739-I781 HydrophobicContact CD1-CG2 3.68Å; L739-R782 HydrophobicContact CD1-CB 4.43Å
740	N	84.6	Confident	86.1	Confident	67 Å²	67	36.1 Å²	36.1	36%	0.358	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	31.8	-178.5	-67.1	-15.3	0	0	0	114.7	I736 G737 V738 D742 G743 N745	I736-N740 PolarHBondContact O-N 2.89Å; G737-N740 PolarHBondContact O-N 2.92Å; G737-N740 VanDerWaalsContact O-N 3.12Å; G737-N740 PolarHBondContact O-OD1 2.86Å; V738-N740 VanDerWaalsContact C-N 3.27Å; V738-N740 PolarHBondContact O-N 3.01Å; N740-D742 PolarHBondContact O-N 2.95Å; N740-G743 WeakPolarHBondContact O-CA 3.44Å; N740-G743 PolarHBondContact O-N 3.14Å; N740-N745 WeakPolarHBondContact OD1-CA 3.45Å; N740-N745 WeakPolarHBondContact OD1-CB 3.15Å
741	L	76.5	Confident	86.5	Confident	54 Å²	54	36.3 Å²	36.3	28%	0.283	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-27.6	-170.8	-75.4	162.7	0	0	0	114.6	I736 L739 G743 R782 A785 L789	I736-L741 HydrophobicContact CG2-CB 4.44Å; I736-L741 PolarHBondContact O-N 3Å; I736-L741 VanDerWaalsContact O-N 3.12Å; L739-L741 VanDerWaalsContact C-N 3.25Å; L739-L741 HydrophobicContact CB-CD1 3.89Å; L739-L741 HydrophobicContact CB-CG 3.93Å; L739-L741 HydrophobicContact CD1-CD1 4.08Å; L739-L741 PolarHBondContact O-N 3.24Å; L741-G743 PolarHBondContact O-N 3.15Å; L741-R782 HydrophobicContact CD2-CG 3.96Å; L741-A785 HydrophobicContact CD1-CB 3.26Å; L741-L789 HydrophobicContact CB-CD1 4.19Å
742	D	69	Low	86.7	Confident	46 Å²	46	37.6 Å²	37.6	25%	0.246	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	6.2	171.1	-80.7	-51.7	0	0	0	112.6	I736 N740 I744 T748 L789 R793	I736-D742 WeakPolarHBondContact CG2-OD2 3.43Å; N740-D742 PolarHBondContact O-N 2.95Å; D742-I744 PolarHBondContact O-N 3.05Å; D742-I744 VanDerWaalsContact O-N 3.11Å; D742-T748 PolarHBondContact OD2-OG1 3.17Å; D742-L789 VanDerWaalsContact OD1-CD1 3.28Å; D742-L789 WeakPolarHBondContact OD1-CD1 3.4Å; D742-R793 IonicContact OD1-CZ 3.78Å; D742-R793 IonicContact OD1-NE 3.73Å; D742-R793 IonicContact OD1-NH2 3.06Å; D742-R793 PolarHBondContact OD1-NH2 3.41Å
743	G	72.8	Confident	87	Confident	70 Å²	70	37.6 Å²	37.6	72%	0.722	21%	0.205	S	C	*	.	S	Bend	trans	71.1	-6.2	-170.1	0	0	0	0	0	113.9	N740 L741	N740-G743 WeakPolarHBondContact O-CA 3.44Å; N740-G743 PolarHBondContact O-N 3.14Å; L741-G743 PolarHBondContact O-N 3.15Å
744	I	76.4	Confident	87.1	Confident	100 Å²	100	40.4 Å²	40.4	51%	0.513	22%	0.223	S	C	.	.	S	Bend	trans	-127.9	125.8	-175.4	-51.3	174	0	0	0	107.7	D742 R746	D742-I744 PolarHBondContact O-N 3.05Å; D742-I744 VanDerWaalsContact O-N 3.11Å; I744-R746 HydrophobicContact CG2-CB 4.11Å; I744-R746 HydrophobicContact CG2-CG 3.76Å; I744-R746 PolarHBondContact O-N 3.33Å
745	N	86.7	Confident	87.3	Confident	46 Å²	46	41 Å²	41	25%	0.246	23%	0.23	C	C	.	.			trans	-74.6	65.3	178.5	-172.2	-7.9	0	0	0	111.5	I702 A703 G737 N740	I702-N745 WeakPolarHBondContact CA-O 3.5Å; A703-N745 WeakPolarHBondContact CB-OD1 3.4Å; A703-N745 PolarHBondContact N-O 2.96Å; A703-N745 PolarHBondContact N-OD1 3.19Å; A703-N745 PolarHBondContact O-OD1 2.86Å; G737-N745 PolarHBondContact O-OD1 2.87Å; N740-N745 WeakPolarHBondContact OD1-CA 3.45Å; N740-N745 WeakPolarHBondContact OD1-CB 3.15Å
746	R	90.6	Very high	87.5	Confident	139 Å²	139	44.5 Å²	44.5	53%	0.525	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-135.7	156.4	-176.9	-74.6	-179.6	-170.4	-114.9	14	112.6	G700 E701 G737 I744	G700-R746 WeakPolarHBondContact O-CD 3.27Å; G700-R746 WeakPolarHBondContact O-CG 3.2Å; G700-R746 PolarHBondContact O-NH1 3.39Å; E701-R746 CarbonylContact O-C 3.49Å; E701-R746 WeakPolarHBondContact O-CA 3.38Å; G737-R746 WeakPolarHBondContact CA-O 3.39Å; I744-R746 HydrophobicContact CG2-CB 4.11Å; I744-R746 HydrophobicContact CG2-CG 3.76Å; I744-R746 PolarHBondContact O-N 3.33Å
747	R	91.2	Very high	87.6	Confident	21 Å²	21	43.5 Å²	43.5	8%	0.079	24%	0.238	C	C	.	.			trans	-72.9	133.5	172.3	-59.6	-61.4	-169.9	-167	5.6	110.8	C697 R698 G700 E701 E705 G734	C697-R747 HydrophobicContact CB-CG 4.15Å; C697-R747 PolarHBondContact SG-NE 3.16Å; C697-R747 VanDerWaalsContact SG-NE 3.39Å; R698-R747 WeakPolarHBondContact O-CB 3.49Å; G700-R747 PolarHBondContact N-O 3.01Å; E701-R747 HydrophobicContact CB-CG 4.18Å; E701-R747 PolarHBondContact O-N 3.19Å; E705-R747 VanDerWaalsContact O-CZ 3.26Å; E705-R747 PolarHBondContact O-NH1 3.08Å; E705-R747 PolarHBondContact O-NH2 3.36Å; G734-R747 PolarHBondContact O-NH1 3.35Å
748	T	87.8	Confident	87.7	Confident	29 Å²	29	44.9 Å²	44.9	18%	0.178	24%	0.244	C	C	.	.	S	Bend	trans	-86.4	-20.1	-173	-39.8	0	0	0	0	114.2	D742 R796	D742-T748 PolarHBondContact OD2-OG1 3.17Å; T748-R796 PolarHBondContact O-NH2 2.79Å
749	A	88.9	Confident	87.9	Confident	19 Å²	19	45 Å²	45	16%	0.157	25%	0.245	C	C	.	.	S	Bend	trans	-153.3	165.5	-177.3	0	0	0	0	0	111.7	V716	V716-A749 HydrophobicContact CG1-CB 3.65Å
750	D	93.2	Very high	88	Confident	37 Å²	37	45.1 Å²	45.1	20%	0.198	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	144.6	172.8	-78	9.3	0	0	0	110.2	C697 R698 K699 V716 L717	C697-D750 WeakPolarHBondContact O-CA 3.24Å; R698-D750 VanDerWaalsContact CA-OD1 3.28Å; R698-D750 WeakPolarHBondContact CA-OD1 3.44Å; K699-D750 WeakPolarHBondContact CB-OD1 3.38Å; K699-D750 PolarHBondContact N-OD1 2.72Å; V716-D750 CarbonylContact C-O 3.42Å; V716-D750 WeakPolarHBondContact CA-O 3.41Å; L717-D750 HydrophobicContact CB-CB 3.97Å; L717-D750 PolarHBondContact N-O 3.08Å
751	V	94.8	Very high	88.3	Confident	9 Å²	9	42.2 Å²	42.2	6%	0.055	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	124.5	176.1	-171.1	0	0	0	0	110.6	L695 I696 C697 L714 E715 V716 M727 F733	L695-V751 WeakPolarHBondContact CA-O 3.06Å; I696-V751 HydrophobicContact CD1-CG1 4.13Å; I696-V751 PolarHBondContact N-O 3.21Å; C697-V751 HydrophobicContact CB-CB 4.28Å; C697-V751 HydrophobicContact CB-CG2 4.15Å; C697-V751 PolarHBondContact O-N 2.86Å; L714-V751 HydrophobicContact CB-CG1 4.15Å; L714-V751 HydrophobicContact CD1-CG1 4.08Å; E715-V751 CarbonylContact O-C 3.5Å; E715-V751 WeakPolarHBondContact O-CA 3.41Å; V716-V751 HydrophobicContact CG2-CG2 4.43Å; M727-V751 HydrophobicContact CE-CG1 3.71Å; F733-V751 HydrophobicContact CD2-CG1 4.33Å; F733-V751 HydrophobicContact CD2-CG2 4.08Å; F733-V751 HydrophobicContact CE2-CB 4.25Å; F733-V751 HydrophobicContact CE2-CG1 3.99Å; F733-V751 HydrophobicContact CE2-CG2 4.26Å; F733-V751 HydrophobicContact CZ-CG1 4.23Å
752	R	94.8	Very high	89	Confident	80 Å²	80	39.9 Å²	39.9	30%	0.302	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	141.3	-175.2	-175.4	176.3	65.8	-163.2	0.9	112	D694 L695 L714 E715 L717	D694-R752 CarbonylContact O-C 3.57Å; D694-R752 VanDerWaalsContact O-CA 3.29Å; D694-R752 WeakPolarHBondContact O-CA 3.45Å; L695-R752 HydrophobicContact CD2-CB 3.9Å; L695-R752 HydrophobicContact CD2-CG 4.38Å; L714-R752 CarbonylContact C-O 3.51Å; L714-R752 VanDerWaalsContact CA-O 3.32Å; L714-R752 WeakPolarHBondContact CA-O 3.35Å; E715-R752 PolarHBondContact N-O 2.7Å; E715-R752 PolarHBondContact O-N 3.02Å; E715-R752 IonicContact OE2-CZ 2.71Å; E715-R752 IonicContact OE2-NE 3.47Å; E715-R752 PolarHBondContact OE2-NE 2.89Å; E715-R752 IonicContact OE2-NH2 3.94Å; E715-R752 PolarHBondContact OE2-NH2 2.91Å; L717-R752 HydrophobicContact CD1-CB 3.98Å
753	A	96	Very high	90.2	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	129.2	168.9	0	0	0	0	0	111.8	L690 G693 D694 L714 A757	L690-A753 HydrophobicContact CB-CB 4.22Å; L690-A753 HydrophobicContact CD1-CB 4.32Å; G693-A753 WeakPolarHBondContact CA-O 3.29Å; G693-A753 PolarHBondContact N-O 3.13Å; D694-A753 HydrophobicContact CB-CB 4.39Å; D694-A753 PolarHBondContact O-N 3.28Å; L714-A753 HydrophobicContact CD2-CB 3.74Å; A753-A757 HydrophobicContact CB-CB 4.45Å
754	V	94.7	Very high	91.1	Very high	69 Å²	69	38.7 Å²	38.7	42%	0.418	19%	0.192	S	C	.	.	S	Bend	trans	-79.8	-44.8	177.4	-176.7	0	0	0	0	110.8	V713 E715	V713-V754 HydrophobicContact CG1-CG2 4.22Å; V713-V754 PolarHBondContact O-N 3.46Å; E715-V754 HydrophobicContact CB-CG2 4.35Å; E715-V754 HydrophobicContact CG-CG2 3.52Å
755	G	93.7	Very high	91.8	Very high	28 Å²	28	38.6 Å²	38.6	29%	0.289	19%	0.193	S	C	.	.	S	Bend	trans	-118.9	-158.9	175.9	0	0	0	0	0	111.6	P692	P692-G755 WeakPolarHBondContact CA-O 3.43Å
756	Y	93.2	Very high	92.1	Very high	77 Å²	77	38.7 Å²	38.7	30%	0.302	19%	0.194	S	C	.	.			trans	-66.9	136.9	159.7	-66.4	-85.5	0	0	0	108.6	Y628 L690 T691 P692	Y628-Y756 AromaticContact CD1-CD1 3.96Å; Y628-Y756 HydrophobicContact CD1-CD1 3.96Å; Y628-Y756 AromaticContact CD2-CD1 3.49Å; Y628-Y756 HydrophobicContact CD2-CD1 3.49Å; Y628-Y756 VanDerWaalsContact CD2-CD1 3.49Å; Y628-Y756 AromaticContact CD2-CD2 3.9Å; Y628-Y756 HydrophobicContact CD2-CD2 3.9Å; Y628-Y756 AromaticContact CD2-CE1 3.8Å; Y628-Y756 HydrophobicContact CD2-CE1 3.8Å; Y628-Y756 HydrophobicContact CD2-CE2 4.18Å; Y628-Y756 AromaticContact CD2-CG 3.55Å; Y628-Y756 HydrophobicContact CD2-CG 3.55Å; Y628-Y756 HydrophobicContact CE1-CD1 4.29Å; Y628-Y756 HydrophobicContact CE1-CG 4.48Å; Y628-Y756 AromaticContact CE2-CD1 3.85Å; Y628-Y756 HydrophobicContact CE2-CD1 3.85Å; Y628-Y756 AromaticContact CE2-CD2 3.93Å; Y628-Y756 HydrophobicContact CE2-CD2 3.93Å; Y628-Y756 AromaticContact CE2-CG 3.49Å; Y628-Y756 HydrophobicContact CE2-CG 3.49Å; Y628-Y756 VanDerWaalsContact CE2-CG 3.49Å; Y628-Y756 AromaticContact CG-CD1 3.54Å; Y628-Y756 HydrophobicContact CG-CD1 3.54Å; Y628-Y756 AromaticContact CG-CE1 3.76Å; Y628-Y756 HydrophobicContact CG-CE1 3.76Å; Y628-Y756 HydrophobicContact CG-CG 4.08Å; Y628-Y756 AromaticContact CZ-CG 3.98Å; L690-Y756 WeakPolarHBondContact O-CA 3.4Å; L690-Y756 WeakPolarHBondContact O-CD1 3.47Å; T691-Y756 HydrophobicContact CG2-CD1 4.44Å; T691-Y756 HydrophobicContact CG2-CE1 3.99Å; P692-Y756 HydrophobicContact CG-CD2 4.07Å; P692-Y756 HydrophobicContact CG-CE2 4.05Å; P692-Y756 HydrophobicContact CG-CG 4.43Å
757	A	92.4	Very high	92.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	142.3	179	0	0	0	0	0	110.4	L690 D711 L714 A753	L690-A757 HydrophobicContact CB-CB 4.38Å; L690-A757 HydrophobicContact CD1-CB 4.29Å; L690-A757 PolarHBondContact N-O 3.49Å; L690-A757 PolarHBondContact O-N 2.81Å; D711-A757 WeakPolarHBondContact O-CA 3.34Å; L714-A757 HydrophobicContact CD2-CB 3.86Å; A753-A757 HydrophobicContact CB-CB 4.45Å
758	E	90.5	Very high	92.1	Very high	31 Å²	31	34.2 Å²	34.2	15%	0.145	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	122.5	178.4	-61.4	-177.1	-172.5	0	0	108.3	Y628 K632 V689 A710 D711	Y628-E758 PolarHBondContact OH-OE1 3.36Å; K632-E758 WeakPolarHBondContact CD-OE1 3.34Å; K632-E758 WeakPolarHBondContact CE-OE1 2.84Å; K632-E758 VanDerWaalsContact CG-OE1 3.27Å; K632-E758 WeakPolarHBondContact CG-OE1 3.45Å; K632-E758 IonicContact NZ-OE1 2.72Å; K632-E758 PolarHBondContact NZ-OE1 2.92Å; K632-E758 IonicContact NZ-OE2 3.59Å; V689-E758 HydrophobicContact CG2-CG 4.49Å; A710-E758 WeakPolarHBondContact CA-O 3.34Å; A710-E758 HydrophobicContact CB-CB 4.48Å; A710-E758 WeakPolarHBondContact CB-O 3.38Å; A710-E758 PolarHBondContact N-O 3.45Å; D711-E758 HydrophobicContact CB-CB 4.08Å; D711-E758 HydrophobicContact CB-CG 4.36Å; D711-E758 PolarHBondContact N-O 2.9Å; D711-E758 VanDerWaalsContact N-O 3.1Å; D711-E758 PolarHBondContact O-N 3.45Å
759	L	91.1	Very high	92.3	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	151.4	-175.1	-51.9	-174.8	0	0	0	110.9	P687 L688 L690 I696 F707 I708 I709 L714 F733	P687-L759 CarbonylContact C-O 3.57Å; P687-L759 WeakPolarHBondContact CA-O 3.14Å; L688-L759 HydrophobicContact CB-CB 4.43Å; L688-L759 PolarHBondContact N-O 3.19Å; L688-L759 PolarHBondContact O-N 3.22Å; L690-L759 HydrophobicContact CD1-CD1 3.51Å; L690-L759 HydrophobicContact CD1-CG 3.98Å; L690-L759 HydrophobicContact CG-CD1 4.46Å; I696-L759 HydrophobicContact CD1-CD1 4.01Å; I696-L759 HydrophobicContact CG2-CD1 4.5Å; F707-L759 HydrophobicContact CB-CD1 4.34Å; F707-L759 HydrophobicContact CD1-CD1 4.18Å; F707-L759 HydrophobicContact CG-CD1 4.47Å; I708-L759 CarbonylContact O-C 3.57Å; I708-L759 WeakPolarHBondContact O-CA 3.18Å; I709-L759 HydrophobicContact CB-CD2 4.01Å; I709-L759 HydrophobicContact CG1-CD2 3.79Å; I709-L759 HydrophobicContact CG2-CD2 4.02Å; L714-L759 HydrophobicContact CD1-CD1 4.36Å; L714-L759 HydrophobicContact CD1-CD2 4.1Å; F733-L759 HydrophobicContact CE1-CD1 4.27Å; F733-L759 HydrophobicContact CZ-CD1 3.99Å
760	F	89.5	Confident	92.4	Very high	21 Å²	21	37.2 Å²	37.2	9%	0.092	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.1	160.4	-66.3	-67.9	0	0	0	110	N660 T663 M685 P687 F707 I708 A710	N660-F760 HydrophobicContact CB-CZ 4.43Å; N660-F760 VanDerWaalsContact OD1-CZ 3.31Å; N660-F760 WeakPolarHBondContact OD1-CZ 3.32Å; T663-F760 HydrophobicContact CG2-CD2 4.49Å; T663-F760 HydrophobicContact CG2-CE2 4.19Å; M685-F760 HydrophobicContact CB-CB 4.22Å; M685-F760 HydrophobicContact CB-CD1 4.26Å; M685-F760 HydrophobicContact CB-CG 4.5Å; M685-F760 HydrophobicContact CG-CB 4.4Å; M685-F760 HydrophobicContact SD-CB 3.86Å; M685-F760 HydrophobicContact SD-CG 4.07Å; P687-F760 HydrophobicContact CB-CE1 4.4Å; F707-F760 CarbonylContact C-O 3.57Å; F707-F760 WeakPolarHBondContact CA-O 3.39Å; I708-F760 HydrophobicContact CB-CB 4.3Å; I708-F760 PolarHBondContact N-O 2.67Å; I708-F760 PolarHBondContact O-N 3.35Å; A710-F760 HydrophobicContact CB-CD2 4.03Å; A710-F760 HydrophobicContact CB-CE2 3.69Å
761	V	91.3	Very high	92.3	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	128.2	179.1	-168.6	0	0	0	0	109.1	R686 L688 E705 F707	R686-V761 PolarHBondContact N-O 2.71Å; R686-V761 PolarHBondContact O-N 3.17Å; L688-V761 HydrophobicContact CB-CG2 3.4Å; L688-V761 VanDerWaalsContact CB-CG2 3.4Å; L688-V761 HydrophobicContact CD2-CG2 3.7Å; L688-V761 HydrophobicContact CG-CG2 4.18Å; E705-V761 HydrophobicContact CB-CG1 3.75Å; E705-V761 HydrophobicContact CG-CG1 3.93Å; E705-V761 WeakPolarHBondContact OE1-CG1 3.3Å; E705-V761 WeakPolarHBondContact OE2-CG1 3.34Å; F707-V761 HydrophobicContact CD1-CB 4.35Å; F707-V761 HydrophobicContact CD1-CG1 4.17Å; F707-V761 HydrophobicContact CD1-CG2 3.87Å; F707-V761 HydrophobicContact CE1-CB 4.3Å; F707-V761 HydrophobicContact CE1-CG1 3.76Å; F707-V761 HydrophobicContact CE1-CG2 3.78Å
762	L	91.4	Very high	92.1	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.4	175.8	-174.9	63.1	0	0	0	110.1	I681 K684 E705 I706 D766 I767	I681-L762 HydrophobicContact CD1-CD2 4.06Å; I681-L762 HydrophobicContact CG1-CD2 4.35Å; I681-L762 HydrophobicContact CG2-CD1 3.9Å; I681-L762 HydrophobicContact CG2-CD2 3.47Å; I681-L762 VanDerWaalsContact CG2-CD2 3.47Å; I681-L762 HydrophobicContact CG2-CG 4.31Å; K684-L762 HydrophobicContact CB-CD1 3.77Å; E705-L762 CarbonylContact C-O 3.56Å; E705-L762 VanDerWaalsContact CA-O 3.23Å; E705-L762 WeakPolarHBondContact CA-O 3.5Å; I706-L762 PolarHBondContact N-O 3Å; I706-L762 PolarHBondContact O-N 3.41Å; L762-D766 HydrophobicContact CD1-CB 4.48Å; L762-I767 HydrophobicContact CD2-CB 3.64Å; L762-I767 HydrophobicContact CD2-CD1 3.89Å; L762-I767 HydrophobicContact CD2-CG1 3.74Å; L762-I767 HydrophobicContact CG-CB 4.02Å
763	A	92.9	Very high	91.9	Very high	25 Å²	25	44.1 Å²	44.1	21%	0.207	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	143.5	-178	0	0	0	0	0	112.2	D765 D766 I767	A763-D765 VanDerWaalsContact C-N 3.31Å; A763-D765 PolarHBondContact O-N 2.75Å; A763-D766 HydrophobicContact CB-CB 4.37Å; A763-D766 PolarHBondContact O-N 2.93Å; A763-D766 VanDerWaalsContact O-N 3.07Å; A763-I767 PolarHBondContact O-N 3.2Å
764	R	91.9	Very high	91.6	Very high	66 Å²	66	44.9 Å²	44.9	25%	0.249	23%	0.226	C	C	.	.	H	α-helix	trans	-51.6	-46.8	179.1	167.9	170.9	-174.5	-71.8	-2.6	112.8	R704 V738 D766 I767 L768	R704-R764 WeakPolarHBondContact O-CB 3.31Å; R704-R764 PolarHBondContact O-N 3.05Å; V738-R764 HydrophobicContact CG1-CB 4.08Å; V738-R764 HydrophobicContact CG1-CG 4.02Å; R764-D766 PolarHBondContact O-N 3.39Å; R764-I767 WeakPolarHBondContact O-CG2 3.25Å; R764-L768 HydrophobicContact CG-CD1 3.64Å; R764-L768 HydrophobicContact CG-CG 4.31Å; R764-L768 VanDerWaalsContact CZ-CD1 3.48Å; R764-L768 WeakPolarHBondContact O-CB 3.5Å; R764-L768 WeakPolarHBondContact O-CG 3.32Å; R764-L768 PolarHBondContact O-N 3Å
765	D	92.1	Very high	91.4	Very high	98 Å²	98	45.3 Å²	45.3	52%	0.524	23%	0.231	S	C	.	.	H	α-helix	trans	-72.2	-21.2	-175.1	-57.4	-26.3	0	0	0	112	A763 K769	A763-D765 VanDerWaalsContact C-N 3.31Å; A763-D765 PolarHBondContact O-N 2.75Å; D765-K769 WeakPolarHBondContact O-CD 3.29Å; D765-K769 WeakPolarHBondContact O-CE 3.38Å; D765-K769 WeakPolarHBondContact O-CG 3.29Å; D765-K769 PolarHBondContact O-N 3.07Å; D765-K769 PolarHBondContact O-NZ 3Å
766	D	92	Very high	91.1	Very high	49 Å²	49	46.6 Å²	46.6	26%	0.262	23%	0.229	S	C	.	.	H	α-helix	trans	-88.3	-37.1	180	-73.7	-25.3	0	0	0	112.5	K684 L762 A763 R764 K769 A770	K684-D766 HydrophobicContact CB-CB 4.3Å; K684-D766 HydrophobicContact CD-CB 3.86Å; L762-D766 HydrophobicContact CD1-CB 4.48Å; A763-D766 HydrophobicContact CB-CB 4.37Å; A763-D766 PolarHBondContact O-N 2.93Å; A763-D766 VanDerWaalsContact O-N 3.07Å; R764-D766 PolarHBondContact O-N 3.39Å; D766-K769 IonicContact OD1-NZ 3.79Å; D766-K769 PolarHBondContact OD1-NZ 3.43Å; D766-A770 PolarHBondContact O-N 3.44Å
767	I	90.7	Very high	90.8	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.031	22%	0.215	C	C	.	.	H	α-helix	trans	-70	-41.3	169.8	-161.6	-179.4	0	0	0	111.5	I681 I706 V738 L762 A763 R764 K769 A770 L771 I781	I681-I767 HydrophobicContact CD1-CG1 4.28Å; I706-I767 HydrophobicContact CD1-CD1 3.52Å; I706-I767 HydrophobicContact CD1-CG2 4.29Å; V738-I767 HydrophobicContact CG1-CG2 3.92Å; L762-I767 HydrophobicContact CD2-CB 3.64Å; L762-I767 HydrophobicContact CD2-CD1 3.89Å; L762-I767 HydrophobicContact CD2-CG1 3.74Å; L762-I767 HydrophobicContact CG-CB 4.02Å; A763-I767 PolarHBondContact O-N 3.2Å; R764-I767 WeakPolarHBondContact O-CG2 3.25Å; I767-K769 PolarHBondContact O-N 2.86Å; I767-A770 PolarHBondContact O-N 3.01Å; I767-A770 VanDerWaalsContact O-N 3.1Å; I767-L771 HydrophobicContact CD1-CD1 4.11Å; I767-L771 HydrophobicContact CG1-CD1 3.85Å; I767-L771 HydrophobicContact CG1-CG 3.97Å; I767-L771 WeakPolarHBondContact O-CB 3.43Å; I767-L771 VanDerWaalsContact O-CG 3.27Å; I767-L771 WeakPolarHBondContact O-CG 3.29Å; I767-L771 PolarHBondContact O-N 2.65Å; I767-I781 HydrophobicContact CD1-CD1 4.3Å
768	L	91.3	Very high	90.7	Very high	60 Å²	60	45.4 Å²	45.4	31%	0.314	23%	0.226	S	C	.	.	H	α-helix	trans	-64.1	-29.1	179.5	-72.1	175	0	0	0	112.9	L739 R764 K772	L739-L768 HydrophobicContact CD2-CD2 4.4Å; R764-L768 HydrophobicContact CG-CD1 3.64Å; R764-L768 HydrophobicContact CG-CG 4.31Å; R764-L768 VanDerWaalsContact CZ-CD1 3.48Å; R764-L768 WeakPolarHBondContact O-CB 3.5Å; R764-L768 WeakPolarHBondContact O-CG 3.32Å; R764-L768 PolarHBondContact O-N 3Å; L768-K772 PolarHBondContact O-N 3.36Å
769	K	91.9	Very high	90.6	Very high	111 Å²	111	50.4 Å²	50.4	48%	0.483	25%	0.248	S	C	.	.	H	α-helix	trans	-66.8	-54	168.3	-69.1	162.3	-156	153.4	0	110.7	D765 D766 I767 L771 K772 D773	D765-K769 WeakPolarHBondContact O-CD 3.29Å; D765-K769 WeakPolarHBondContact O-CE 3.38Å; D765-K769 WeakPolarHBondContact O-CG 3.29Å; D765-K769 PolarHBondContact O-N 3.07Å; D765-K769 PolarHBondContact O-NZ 3Å; D766-K769 IonicContact OD1-NZ 3.79Å; D766-K769 PolarHBondContact OD1-NZ 3.43Å; I767-K769 PolarHBondContact O-N 2.86Å; K769-L771 VanDerWaalsContact C-N 3.28Å; K769-L771 PolarHBondContact O-N 3.2Å; K769-K772 VanDerWaalsContact O-CB 3.3Å; K769-K772 WeakPolarHBondContact O-CB 3.38Å; K769-K772 PolarHBondContact O-N 3.09Å; K769-D773 PolarHBondContact O-N 3.02Å
770	A	90.4	Very high	90.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.3	-35.9	-178.5	0	0	0	0	0	113.3	F677 I681 D766 I767 D773 H774	F677-A770 HydrophobicContact CD2-CB 4.47Å; F677-A770 HydrophobicContact CE2-CB 4.18Å; I681-A770 HydrophobicContact CD1-CB 4.04Å; I681-A770 HydrophobicContact CG1-CB 3.75Å; D766-A770 PolarHBondContact O-N 3.44Å; I767-A770 PolarHBondContact O-N 3.01Å; I767-A770 VanDerWaalsContact O-N 3.1Å; A770-D773 PolarHBondContact O-N 3.02Å; A770-H774 WeakPolarHBondContact O-CB 3.25Å; A770-H774 PolarHBondContact O-N 2.93Å
771	L	90.7	Very high	90.4	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-70.9	-31.1	176.4	-65.9	173.1	0	0	0	113.1	F677 L739 I767 K769 D773 H774 A777 E778 I781	F677-L771 HydrophobicContact CE2-CD2 3.62Å; F677-L771 HydrophobicContact CE2-CG 4.39Å; F677-L771 HydrophobicContact CZ-CD2 3.66Å; L739-L771 HydrophobicContact CD2-CD1 3.88Å; I767-L771 HydrophobicContact CD1-CD1 4.11Å; I767-L771 HydrophobicContact CG1-CD1 3.85Å; I767-L771 HydrophobicContact CG1-CG 3.97Å; I767-L771 WeakPolarHBondContact O-CB 3.43Å; I767-L771 VanDerWaalsContact O-CG 3.27Å; I767-L771 WeakPolarHBondContact O-CG 3.29Å; I767-L771 PolarHBondContact O-N 2.65Å; K769-L771 VanDerWaalsContact C-N 3.28Å; K769-L771 PolarHBondContact O-N 3.2Å; L771-D773 VanDerWaalsContact C-N 3.27Å; L771-D773 PolarHBondContact O-N 3.18Å; L771-H774 CarbonylContact O-C 3.54Å; L771-H774 PolarHBondContact O-N 3.18Å; L771-A777 HydrophobicContact CD2-CB 4.01Å; L771-E778 HydrophobicContact CB-CB 4.13Å; L771-E778 HydrophobicContact CB-CG 4.21Å; L771-E778 HydrophobicContact CD2-CB 4.23Å; L771-I781 HydrophobicContact CD2-CD1 3.8Å
772	K	91.1	Very high	90.3	Very high	169 Å²	169	54.7 Å²	54.7	74%	0.735	27%	0.265	S	S	*	.	H	α-helix	trans	-64	-35.8	173.4	-172.2	-172.1	174.9	-169.4	0	111.6	L768 K769	L768-K772 PolarHBondContact O-N 3.36Å; K769-K772 VanDerWaalsContact O-CB 3.3Å; K769-K772 WeakPolarHBondContact O-CB 3.38Å; K769-K772 PolarHBondContact O-N 3.09Å
773	D	90.5	Very high	90.2	Very high	100 Å²	100	60.5 Å²	60.5	54%	0.535	29%	0.289	S	S	.	.	H	α-helix	trans	-82.6	-23.6	178.6	-55.7	-37.8	0	0	0	111.8	K769 A770 L771 P775	K769-D773 PolarHBondContact O-N 3.02Å; A770-D773 PolarHBondContact O-N 3.02Å; L771-D773 VanDerWaalsContact C-N 3.27Å; L771-D773 PolarHBondContact O-N 3.18Å; D773-P775 WeakPolarHBondContact O-CD 3.41Å
774	H	90.2	Very high	89.9	Confident	16 Å²	16	62.2 Å²	62.2	7%	0.074	29%	0.293	C	S	.	.			trans	-124.2	74.4	179.3	-71.5	-81.7	0	0	0	113.1	F677 A770 L771 E776 A777 E778	F677-H774 HydrophobicContact CB-CB 4.27Å; F677-H774 HydrophobicContact CD2-CB 3.62Å; F677-H774 AromaticContact CD2-CD2 3.98Å; F677-H774 AromaticContact CD2-CG 3.82Å; F677-H774 HydrophobicContact CE2-CB 4.32Å; F677-H774 HydrophobicContact CG-CB 4.27Å; A770-H774 WeakPolarHBondContact O-CB 3.25Å; A770-H774 PolarHBondContact O-N 2.93Å; L771-H774 CarbonylContact O-C 3.54Å; L771-H774 PolarHBondContact O-N 3.18Å; H774-E776 IonicContact CG-OE1 3.29Å; H774-E776 IonicContact ND1-OE1 2.71Å; H774-E776 PolarHBondContact ND1-OE1 3.48Å; H774-E776 PolarHBondContact O-N 3.35Å; H774-A777 HydrophobicContact CB-CB 4.16Å; H774-A777 WeakPolarHBondContact O-CB 3.42Å; H774-A777 PolarHBondContact O-N 3.43Å; H774-E778 PolarHBondContact O-N 3.35Å
775	P	89.8	Confident	89.7	Confident	79 Å²	79	59 Å²	59	51%	0.513	28%	0.281	S	S	.	.	H	α-helix	trans	-63.9	-24.5	-176.6	26.5	-35.7	0	0	0	113.6	D773 A777 E778 F779	D773-P775 WeakPolarHBondContact O-CD 3.41Å; P775-A777 VanDerWaalsContact C-N 3.34Å; P775-E778 WeakPolarHBondContact O-CB 3.36Å; P775-E778 PolarHBondContact O-N 2.96Å; P775-F779 PolarHBondContact O-N 3.36Å
776	E	87.7	Confident	89.5	Confident	54 Å²	54	56.6 Å²	56.6	25%	0.252	27%	0.274	S	S	.	.	H	α-helix	trans	-63.2	-40	173	70.8	-72.7	178	0	0	112.1	R674 H774 F779 V780	R674-E776 IonicContact CZ-OE1 3.39Å; R674-E776 IonicContact CZ-OE2 2.75Å; R674-E776 VanDerWaalsContact NE-CD 3.31Å; R674-E776 IonicContact NE-OE1 3Å; R674-E776 PolarHBondContact NE-OE1 2.86Å; R674-E776 IonicContact NE-OE2 2.68Å; R674-E776 IonicContact NH2-OE1 3.83Å; R674-E776 PolarHBondContact NH2-OE1 3.37Å; R674-E776 IonicContact NH2-OE2 2.98Å; R674-E776 PolarHBondContact NH2-OE2 3.18Å; H774-E776 IonicContact CG-OE1 3.29Å; H774-E776 IonicContact ND1-OE1 2.71Å; H774-E776 PolarHBondContact ND1-OE1 3.48Å; H774-E776 PolarHBondContact O-N 3.35Å; E776-F779 PolarHBondContact O-N 3.09Å; E776-V780 WeakPolarHBondContact O-CG2 3.44Å; E776-V780 PolarHBondContact O-N 3.48Å; E776-V780 VanDerWaalsContact O-N 3.13Å
777	A	88	Confident	89.3	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-70.1	-36.7	176.4	0	0	0	0	0	111	C673 F677 L771 H774 P775 F779 V780 I781	C673-A777 HydrophobicContact CB-CB 4.45Å; C673-A777 VanDerWaalsContact SG-CB 3.55Å; F677-A777 HydrophobicContact CD1-CB 3.83Å; F677-A777 HydrophobicContact CD2-CB 3.8Å; F677-A777 HydrophobicContact CE1-CB 3.65Å; F677-A777 HydrophobicContact CE2-CB 3.62Å; F677-A777 HydrophobicContact CG-CB 3.89Å; F677-A777 HydrophobicContact CZ-CB 3.54Å; L771-A777 HydrophobicContact CD2-CB 4.01Å; H774-A777 HydrophobicContact CB-CB 4.16Å; H774-A777 WeakPolarHBondContact O-CB 3.42Å; H774-A777 PolarHBondContact O-N 3.43Å; P775-A777 VanDerWaalsContact C-N 3.34Å; A777-F779 VanDerWaalsContact C-N 3.32Å; A777-F779 PolarHBondContact O-N 3.09Å; A777-V780 PolarHBondContact O-N 3Å; A777-I781 VanDerWaalsContact O-CG1 3.29Å; A777-I781 WeakPolarHBondContact O-CG1 3.39Å; A777-I781 PolarHBondContact O-N 3.29Å
778	E	89.4	Confident	89.1	Confident	53 Å²	53	62.9 Å²	62.9	25%	0.248	30%	0.298	C	S	.	.	H	α-helix	trans	-59.2	-43.2	173.3	-161.5	-171.2	138.7	0	0	111.7	L771 H774 P775 R782	L771-E778 HydrophobicContact CB-CB 4.13Å; L771-E778 HydrophobicContact CB-CG 4.21Å; L771-E778 HydrophobicContact CD2-CB 4.23Å; H774-E778 PolarHBondContact O-N 3.35Å; P775-E778 WeakPolarHBondContact O-CB 3.36Å; P775-E778 PolarHBondContact O-N 2.96Å; E778-R782 WeakPolarHBondContact O-CB 3.33Å; E778-R782 PolarHBondContact O-N 3.02Å; E778-R782 IonicContact OE1-CZ 3.35Å; E778-R782 IonicContact OE1-NH1 3.65Å; E778-R782 PolarHBondContact OE1-NH1 2.99Å; E778-R782 IonicContact OE1-NH2 2.74Å; E778-R782 PolarHBondContact OE1-NH2 2.67Å
779	F	89.1	Confident	88.8	Confident	136 Å²	136	61 Å²	61	60%	0.596	29%	0.288	S	S	*	.	H	α-helix	trans	-62.8	-47.3	176.3	-178.8	-98.6	0	0	0	112.3	P775 E776 A777 R782 K783	P775-F779 PolarHBondContact O-N 3.36Å; E776-F779 PolarHBondContact O-N 3.09Å; A777-F779 VanDerWaalsContact C-N 3.32Å; A777-F779 PolarHBondContact O-N 3.09Å; F779-R782 PolarHBondContact O-N 2.68Å; F779-K783 HydrophobicContact CE1-CD 4.27Å; F779-K783 VanDerWaalsContact O-CB 3.23Å; F779-K783 WeakPolarHBondContact O-CB 3.29Å; F779-K783 PolarHBondContact O-N 3.39Å
780	V	88.5	Confident	88.5	Confident	17 Å²	17	62.6 Å²	62.6	10%	0.103	29%	0.292	C	S	.	.	H	α-helix	trans	-59.5	-52.4	178.1	170.6	0	0	0	0	111.3	I669 E672 E776 A777 R782 K783 H784	I669-V780 HydrophobicContact CG2-CG1 3.96Å; E672-V780 HydrophobicContact CB-CG1 3.97Å; E672-V780 HydrophobicContact CB-CG2 3.82Å; E672-V780 WeakPolarHBondContact OE2-CG1 3.36Å; E776-V780 WeakPolarHBondContact O-CG2 3.44Å; E776-V780 PolarHBondContact O-N 3.48Å; E776-V780 VanDerWaalsContact O-N 3.13Å; A777-V780 PolarHBondContact O-N 3Å; V780-R782 PolarHBondContact O-N 3.36Å; V780-K783 PolarHBondContact O-N 3.01Å; V780-H784 WeakPolarHBondContact O-CB 3.26Å; V780-H784 PolarHBondContact O-N 3.47Å
781	I	88	Confident	88.1	Confident	4 Å²	4	66.3 Å²	66.3	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-64.7	-42.3	-178.3	-59.1	173.8	0	0	0	110.3	I669 F677 E735 L739 I767 L771 A777 K783 H784 A785	I669-I781 HydrophobicContact CD1-CD1 4.41Å; I669-I781 HydrophobicContact CD1-CG1 4.19Å; I669-I781 HydrophobicContact CG2-CD1 4.02Å; I669-I781 HydrophobicContact CG2-CG1 3.41Å; I669-I781 VanDerWaalsContact CG2-CG1 3.41Å; F677-I781 HydrophobicContact CZ-CD1 4.2Å; E735-I781 HydrophobicContact CB-CG2 3.95Å; E735-I781 HydrophobicContact CG-CG2 4.34Å; L739-I781 HydrophobicContact CD1-CB 4.3Å; L739-I781 HydrophobicContact CD1-CG2 3.68Å; I767-I781 HydrophobicContact CD1-CD1 4.3Å; L771-I781 HydrophobicContact CD2-CD1 3.8Å; A777-I781 VanDerWaalsContact O-CG1 3.29Å; A777-I781 WeakPolarHBondContact O-CG1 3.39Å; A777-I781 PolarHBondContact O-N 3.29Å; I781-K783 PolarHBondContact O-N 2.72Å; I781-H784 PolarHBondContact O-N 2.98Å; I781-A785 WeakPolarHBondContact O-CB 3.34Å; I781-A785 PolarHBondContact O-N 2.98Å
782	R	89	Confident	87.5	Confident	100 Å²	100	67.5 Å²	67.5	38%	0.377	32%	0.318	S	S	.	.	H	α-helix	trans	-60.9	-44.5	176.7	177.2	172.1	-69.7	122.9	0.5	112	L739 L741 E778 F779 V780 A785 A786	L739-R782 HydrophobicContact CD1-CB 4.43Å; L741-R782 HydrophobicContact CD2-CG 3.96Å; E778-R782 WeakPolarHBondContact O-CB 3.33Å; E778-R782 PolarHBondContact O-N 3.02Å; E778-R782 IonicContact OE1-CZ 3.35Å; E778-R782 IonicContact OE1-NH1 3.65Å; E778-R782 PolarHBondContact OE1-NH1 2.99Å; E778-R782 IonicContact OE1-NH2 2.74Å; E778-R782 PolarHBondContact OE1-NH2 2.67Å; F779-R782 PolarHBondContact O-N 2.68Å; V780-R782 PolarHBondContact O-N 3.36Å; R782-A785 PolarHBondContact O-N 3.41Å; R782-A786 VanDerWaalsContact O-CB 3.29Å; R782-A786 WeakPolarHBondContact O-CB 3.31Å; R782-A786 PolarHBondContact O-N 3.1Å
783	K	89.5	Confident	86.9	Confident	125 Å²	125	65.6 Å²	65.6	54%	0.543	31%	0.306	S	S	.	.	H	α-helix	trans	-60.4	-45.7	176.3	178.4	-172.8	174.2	-164.7	0	111.3	F779 V780 I781 K787	F779-K783 HydrophobicContact CE1-CD 4.27Å; F779-K783 VanDerWaalsContact O-CB 3.23Å; F779-K783 WeakPolarHBondContact O-CB 3.29Å; F779-K783 PolarHBondContact O-N 3.39Å; V780-K783 PolarHBondContact O-N 3.01Å; I781-K783 PolarHBondContact O-N 2.72Å; K783-K787 PolarHBondContact O-N 2.96Å; K783-K787 VanDerWaalsContact O-N 3.09Å
784	H	87	Confident	86.4	Confident	61 Å²	61	65.5 Å²	65.5	28%	0.282	30%	0.302	S	S	.	.	H	α-helix	trans	-65.6	-44.3	178.5	-165.3	-95.6	0	0	0	112.5	F732 V780 I781 K787 R788	F732-H784 AromaticContact CE1-CE1 3.65Å; F732-H784 AromaticContact CE1-ND1 3.75Å; F732-H784 AromaticContact CZ-CE1 3.66Å; F732-H784 AromaticContact CZ-ND1 3.26Å; F732-H784 VanDerWaalsContact CZ-ND1 3.26Å; F732-H784 WeakPolarHBondContact CZ-ND1 3.48Å; V780-H784 WeakPolarHBondContact O-CB 3.26Å; V780-H784 PolarHBondContact O-N 3.47Å; I781-H784 PolarHBondContact O-N 2.98Å; H784-K787 WeakPolarHBondContact O-CB 3.35Å; H784-K787 PolarHBondContact O-N 2.95Å; H784-R788 VanDerWaalsContact CE1-CZ 3.48Å; H784-R788 PolarHBondContact CE1-NE 3.27Å; H784-R788 VanDerWaalsContact CE1-NE 3.27Å; H784-R788 PolarHBondContact O-N 3.15Å
785	A	87.6	Confident	85.5	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63	-43.3	177.2	0	0	0	0	0	112.2	E735 I736 L741 I781 R782 K787 R788 L789	E735-A785 HydrophobicContact CG-CB 3.57Å; I736-A785 HydrophobicContact CG1-CB 4.06Å; L741-A785 HydrophobicContact CD1-CB 3.26Å; I781-A785 WeakPolarHBondContact O-CB 3.34Å; I781-A785 PolarHBondContact O-N 2.98Å; R782-A785 PolarHBondContact O-N 3.41Å; A785-K787 PolarHBondContact O-N 3.39Å; A785-R788 PolarHBondContact O-N 3.49Å; A785-L789 VanDerWaalsContact O-CB 3.23Å; A785-L789 WeakPolarHBondContact O-CB 3.39Å; A785-L789 PolarHBondContact O-N 2.74Å
786	A	87.8	Confident	84.4	Confident	46 Å²	46	70.8 Å²	70.8	38%	0.38	31%	0.311	S	S	.	.	H	α-helix	trans	-62.6	-40.5	175.7	0	0	0	0	0	112.1	R782 L789 Y790	R782-A786 VanDerWaalsContact O-CB 3.29Å; R782-A786 WeakPolarHBondContact O-CB 3.31Å; R782-A786 PolarHBondContact O-N 3.1Å; A786-L789 PolarHBondContact O-N 3.44Å; A786-Y790 WeakPolarHBondContact O-CB 3.33Å; A786-Y790 PolarHBondContact O-N 3.38Å
787	K	88	Confident	83.2	Confident	130 Å²	130	71.1 Å²	71.1	57%	0.565	32%	0.319	S	S	*	.	H	α-helix	trans	-60.3	-51.9	174	-179.4	-177.3	171.2	-175.2	0	111.6	K783 H784 A785 L789 Y790 E791	K783-K787 PolarHBondContact O-N 2.96Å; K783-K787 VanDerWaalsContact O-N 3.09Å; H784-K787 WeakPolarHBondContact O-CB 3.35Å; H784-K787 PolarHBondContact O-N 2.95Å; A785-K787 PolarHBondContact O-N 3.39Å; K787-L789 VanDerWaalsContact C-N 3.33Å; K787-L789 PolarHBondContact O-N 3.03Å; K787-Y790 WeakPolarHBondContact O-CB 3.42Å; K787-Y790 PolarHBondContact O-N 3.27Å; K787-E791 WeakPolarHBondContact CE-OE1 3.45Å; K787-E791 WeakPolarHBondContact CG-OE1 3.49Å; K787-E791 WeakPolarHBondContact O-CG 3.42Å; K787-E791 PolarHBondContact O-N 3.34Å
788	R	86.2	Confident	81.8	Confident	58 Å²	58	73.3 Å²	73.3	22%	0.219	34%	0.342	C	S	.	.	H	α-helix	trans	-59.8	-40.4	177.6	-79.1	173.8	159.8	-175.1	-4	112.8	F732 E735 I736 H784 A785 E791 S792	F732-R788 PolarHBondContact O-NH1 3.35Å; F732-R788 PolarHBondContact O-NH2 3.28Å; E735-R788 VanDerWaalsContact CD-NH1 3.34Å; E735-R788 WeakPolarHBondContact OE1-CD 3.49Å; E735-R788 IonicContact OE1-CZ 2.69Å; E735-R788 IonicContact OE1-NE 3.23Å; E735-R788 IonicContact OE1-NH1 2.61Å; E735-R788 PolarHBondContact OE1-NH1 3.25Å; E735-R788 IonicContact OE2-NH1 2.69Å; E735-R788 PolarHBondContact OE2-NH1 3.07Å; I736-R788 HydrophobicContact CD1-CB 4.18Å; H784-R788 VanDerWaalsContact CE1-CZ 3.48Å; H784-R788 PolarHBondContact CE1-NE 3.27Å; H784-R788 VanDerWaalsContact CE1-NE 3.27Å; H784-R788 PolarHBondContact O-N 3.15Å; A785-R788 PolarHBondContact O-N 3.49Å; R788-E791 PolarHBondContact O-N 3.11Å; R788-S792 WeakPolarHBondContact O-CB 3.49Å; R788-S792 PolarHBondContact O-N 2.94Å
789	L	84	Confident	80.2	Confident	21 Å²	21	74 Å²	74	11%	0.11	35%	0.347	C	S	.	.	H	α-helix	trans	-63.6	-42.8	175.8	176	163.4	0	0	0	111.5	I736 L741 D742 A785 A786 K787 S792 R793	I736-L789 HydrophobicContact CD1-CB 4.25Å; I736-L789 HydrophobicContact CG2-CD1 3.93Å; L741-L789 HydrophobicContact CB-CD1 4.19Å; D742-L789 VanDerWaalsContact OD1-CD1 3.28Å; D742-L789 WeakPolarHBondContact OD1-CD1 3.4Å; A785-L789 VanDerWaalsContact O-CB 3.23Å; A785-L789 WeakPolarHBondContact O-CB 3.39Å; A785-L789 PolarHBondContact O-N 2.74Å; A786-L789 PolarHBondContact O-N 3.44Å; K787-L789 VanDerWaalsContact C-N 3.33Å; K787-L789 PolarHBondContact O-N 3.03Å; L789-S792 PolarHBondContact O-N 3.24Å; L789-R793 WeakPolarHBondContact O-CG 3.31Å; L789-R793 PolarHBondContact O-N 3.27Å
790	Y	85.3	Confident	78.3	Confident	144 Å²	144	74.4 Å²	74.4	57%	0.565	35%	0.354	S	S	*	.	H	α-helix	trans	-62.7	-46.7	175.1	178.5	-88.7	0	0	0	112.2	A786 K787 R793 H794	A786-Y790 WeakPolarHBondContact O-CB 3.33Å; A786-Y790 PolarHBondContact O-N 3.38Å; K787-Y790 WeakPolarHBondContact O-CB 3.42Å; K787-Y790 PolarHBondContact O-N 3.27Å; Y790-R793 PolarHBondContact O-N 3.4Å; Y790-H794 AromaticContact CD1-ND1 3.73Å; Y790-H794 AromaticContact CD2-CE1 3.73Å; Y790-H794 AromaticContact CD2-ND1 3.9Å; Y790-H794 AromaticContact CE1-CE1 3.6Å; Y790-H794 AromaticContact CE1-ND1 3.56Å; Y790-H794 AromaticContact CE2-CE1 3.18Å; Y790-H794 WeakPolarHBondContact CE2-CE1 3.34Å; Y790-H794 AromaticContact CE2-ND1 3.76Å; Y790-H794 AromaticContact CE2-NE2 3.96Å; Y790-H794 AromaticContact CG-ND1 3.9Å; Y790-H794 AromaticContact CZ-CE1 3.11Å; Y790-H794 AromaticContact CZ-ND1 3.59Å; Y790-H794 AromaticContact CZ-NE2 3.5Å; Y790-H794 PolarHBondContact O-N 2.94Å; Y790-H794 PolarHBondContact O-ND1 3.01Å; Y790-H794 PolarHBondContact OH-CE1 3.44Å; Y790-H794 PolarHBondContact OH-NE2 3Å
791	E	83.4	Confident	76.3	Confident	77 Å²	77	82 Å²	82	36%	0.36	39%	0.388	S	S	.	.	H	α-helix	trans	-61	-43.6	176.8	-71.8	171.6	-174.1	0	0	111.8	K787 R788 H794 R795	K787-E791 WeakPolarHBondContact CE-OE1 3.45Å; K787-E791 WeakPolarHBondContact CG-OE1 3.49Å; K787-E791 WeakPolarHBondContact O-CG 3.42Å; K787-E791 PolarHBondContact O-N 3.34Å; R788-E791 PolarHBondContact O-N 3.11Å; E791-H794 PolarHBondContact O-N 3.46Å; E791-R795 WeakPolarHBondContact O-CG 3.33Å; E791-R795 PolarHBondContact O-N 3.23Å
792	S	77.8	Confident	74.1	Confident	28 Å²	28	84.4 Å²	84.4	20%	0.196	41%	0.414	C	S	.	.	H	α-helix	trans	-61.7	-43	175.8	-174.2	0	0	0	0	112.2	R788 L789 R796	R788-S792 WeakPolarHBondContact O-CB 3.49Å; R788-S792 PolarHBondContact O-N 2.94Å; L789-S792 PolarHBondContact O-N 3.24Å; S792-R796 PolarHBondContact O-N 2.95Å
793	R	79.2	Confident	71.5	Confident	129 Å²	129	86.6 Å²	86.6	49%	0.487	43%	0.427	S	S	.	.	H	α-helix	trans	-65.6	-40.9	175.6	-71	-179.7	-172.5	-171.3	4.4	112	D742 L789 Y790 R796 S797	D742-R793 IonicContact OD1-CZ 3.78Å; D742-R793 IonicContact OD1-NE 3.73Å; D742-R793 IonicContact OD1-NH2 3.06Å; D742-R793 PolarHBondContact OD1-NH2 3.41Å; L789-R793 WeakPolarHBondContact O-CG 3.31Å; L789-R793 PolarHBondContact O-N 3.27Å; Y790-R793 PolarHBondContact O-N 3.4Å; R793-R796 PolarHBondContact O-N 3.19Å; R793-S797 PolarHBondContact O-N 2.87Å; R793-S797 PolarHBondContact O-OG 3.45Å
794	H	79.3	Confident	68.7	Low	98 Å²	98	90.6 Å²	90.6	45%	0.454	44%	0.444	S	S	.	.	H	α-helix	trans	-64.7	-41.7	178.9	-83.6	64.7	0	0	0	112.8	Y790 E791 R796 S797 G798	Y790-H794 AromaticContact CD1-ND1 3.73Å; Y790-H794 AromaticContact CD2-CE1 3.73Å; Y790-H794 AromaticContact CD2-ND1 3.9Å; Y790-H794 AromaticContact CE1-CE1 3.6Å; Y790-H794 AromaticContact CE1-ND1 3.56Å; Y790-H794 AromaticContact CE2-CE1 3.18Å; Y790-H794 WeakPolarHBondContact CE2-CE1 3.34Å; Y790-H794 AromaticContact CE2-ND1 3.76Å; Y790-H794 AromaticContact CE2-NE2 3.96Å; Y790-H794 AromaticContact CG-ND1 3.9Å; Y790-H794 AromaticContact CZ-CE1 3.11Å; Y790-H794 AromaticContact CZ-ND1 3.59Å; Y790-H794 AromaticContact CZ-NE2 3.5Å; Y790-H794 PolarHBondContact O-N 2.94Å; Y790-H794 PolarHBondContact O-ND1 3.01Å; Y790-H794 PolarHBondContact OH-CE1 3.44Å; Y790-H794 PolarHBondContact OH-NE2 3Å; E791-H794 PolarHBondContact O-N 3.46Å; H794-R796 VanDerWaalsContact C-N 3.34Å; H794-R796 PolarHBondContact O-N 3.18Å; H794-S797 PolarHBondContact O-N 2.65Å; H794-G798 PolarHBondContact O-N 2.91Å
795	R	71.1	Confident	66	Low	129 Å²	129	93 Å²	93	49%	0.487	47%	0.467	S	S	.	.	H	α-helix	trans	-61.6	-41.1	174.2	-67.7	179.7	-169.8	-172.7	5.1	111.8	L724 E791 G798 I799	L724-R795 PolarHBondContact O-NH1 2.96Å; E791-R795 WeakPolarHBondContact O-CG 3.33Å; E791-R795 PolarHBondContact O-N 3.23Å; R795-G798 PolarHBondContact O-N 3.01Å; R795-I799 WeakPolarHBondContact O-CD1 3.3Å; R795-I799 WeakPolarHBondContact O-CG1 3.37Å; R795-I799 PolarHBondContact O-N 3.4Å; R795-I799 VanDerWaalsContact O-N 3.14Å
796	R	65.8	Low	63.4	Low	77 Å²	77	98.4 Å²	98.4	29%	0.291	50%	0.503	S	S	.	.	H	α-helix	trans	-61.6	-45.1	173.9	-73.7	179.3	175.5	148.5	5.8	112.4	T748 S792 R793 H794 I799 L800	T748-R796 PolarHBondContact O-NH2 2.79Å; S792-R796 PolarHBondContact O-N 2.95Å; R793-R796 PolarHBondContact O-N 3.19Å; H794-R796 VanDerWaalsContact C-N 3.34Å; H794-R796 PolarHBondContact O-N 3.18Å; R796-I799 PolarHBondContact O-N 3.18Å; R796-L800 WeakPolarHBondContact O-CG 3.35Å; R796-L800 PolarHBondContact O-N 3.07Å
797	S	62.5	Low	60.5	Low	60 Å²	60	101.9 Å²	101.9	42%	0.42	53%	0.525	S	S	.	.	H	α-helix	trans	-64.1	-39.3	177.5	-62.8	0	0	0	0	113.1	R793 H794 L800 Q801	R793-S797 PolarHBondContact O-N 2.87Å; R793-S797 PolarHBondContact O-OG 3.45Å; H794-S797 PolarHBondContact O-N 2.65Å; S797-L800 PolarHBondContact O-N 3.17Å; S797-Q801 WeakPolarHBondContact O-CG 3.39Å; S797-Q801 PolarHBondContact O-N 3.45Å
798	G	58.5	Low	57.7	Low	46 Å²	46	101.8 Å²	101.8	47%	0.474	54%	0.539	S	S	.	.	H	α-helix	trans	-63	-40.1	175.8	0	0	0	0	0	113.1	H794 R795 Q801 G802	H794-G798 PolarHBondContact O-N 2.91Å; R795-G798 PolarHBondContact O-N 3.01Å; G798-Q801 PolarHBondContact O-N 2.84Å; G798-G802 PolarHBondContact O-N 3.26Å
799	I	56.3	Low	54.9	Low	69 Å²	69	103.8 Å²	103.8	35%	0.354	56%	0.562	S	S	.	*	H	α-helix	trans	-67.2	-38.7	175.7	-66.2	164.8	0	0	0	111.2	R795 R796	R795-I799 WeakPolarHBondContact O-CD1 3.3Å; R795-I799 WeakPolarHBondContact O-CG1 3.37Å; R795-I799 PolarHBondContact O-N 3.4Å; R795-I799 VanDerWaalsContact O-N 3.14Å; R796-I799 PolarHBondContact O-N 3.18Å
800	L	49.7	Very low	52.4	Low	144 Å²	144	107.6 Å²	107.6	75%	0.754	59%	0.59	S	S	*	*	H	α-helix	trans	-71.9	-26	178.8	-76.8	164.5	0	0	0	114	R796 S797	R796-L800 WeakPolarHBondContact O-CG 3.35Å; R796-L800 PolarHBondContact O-N 3.07Å; S797-L800 PolarHBondContact O-N 3.17Å
801	Q	47.1	Very low	49.7	Very low	175 Å²	175	107.8 Å²	107.8	82%	0.818	60%	0.601	S	S	*	*	H	α-helix	trans	-92.5	-9.8	177.2	-68.1	-178.6	-3	0	0	113.8	S797 G798	S797-Q801 WeakPolarHBondContact O-CG 3.39Å; S797-Q801 PolarHBondContact O-N 3.45Å; G798-Q801 PolarHBondContact O-N 2.84Å
802	G	41.8	Very low	47.3	Very low	55 Å²	55	112.2 Å²	112.2	57%	0.567	62%	0.619	S	S	*	*	S	Bend	trans	-92	-12.3	-174.3	0	0	0	0	0	117.5	G798 K804	G798-G802 PolarHBondContact O-N 3.26Å; G802-K804 PolarHBondContact O-N 3.27Å
803	K	33.7	Very low	45	Very low	146 Å²	146	116.7 Å²	116.7	64%	0.635	65%	0.651	S	S	*	*			trans	-92.4	61.5	-171.2	-74	179.9	177.2	172	0	114.1	E720	E720-K803 IonicContact OE1-NZ 3.45Å; E720-K803 PolarHBondContact OE1-NZ 2.94Å; E720-K803 IonicContact OE2-NZ 3.59Å
804	K	30.5	Very low	42.7	Very low	210 Å²	210	115.2 Å²	115.2	91%	0.913	66%	0.66	S	S	*	*			trans	-152	79.6	159.1	-82.5	-160.7	-178.4	178.3	0	113.5	G802	G802-K804 PolarHBondContact O-N 3.27Å
805	S	30.6	Very low	40.5	Very low	110 Å²	110	118.4 Å²	118.4	77%	0.769	67%	0.672	S	S	*	*			trans	-150.4	145.3	153.4	51.3	0	0	0	0	109.5
806	P	33.6	Very low	38.6	Very low	115 Å²	115	120.4 Å²	120.4	75%	0.747	69%	0.692	S	S	*	*			trans	-82.9	162.8	-164.9	33	-36.2	0	0	0	113.5	C808	P806-C808 PolarHBondContact O-N 3.05Å
807	S	27	Very low	37.1	Very low	119 Å²	119	122.1 Å²	122.1	83%	0.832	72%	0.716	S	S	*	*			trans	-29.1	123.3	164.2	52	0	0	0	0	115
808	C	28.1	Very low	35.6	Very low	128 Å²	128	124.6 Å²	124.6	87%	0.865	73%	0.73	S	S	*	*			trans	-133	111.1	150.7	-153.8	0	0	0	0	109.7	P806	P806-C808 PolarHBondContact O-N 3.05Å
809	S	28.7	Very low	34.4	Very low	100 Å²	100	130 Å²	130	70%	0.699	75%	0.747	S	S	*	*			trans	-70.8	161.5	170.5	47.4	0	0	0	0	111.8
810	S	30.7	Very low	33.2	Very low	101 Å²	101	135.1 Å²	135.1	71%	0.706	77%	0.774	S	S	*	*			trans	78.6	144.9	165.6	79.4	0	0	0	0	118.1
811	N	29.5	Very low	32.4	Very low	147 Å²	147	136.7 Å²	136.7	79%	0.786	78%	0.777	S	S	*	*			trans	76.7	62.1	159.7	-53.7	-20.6	0	0	0	119.3
812	F	31.9	Very low	31.8	Very low	170 Å²	170	134.3 Å²	134.3	75%	0.746	78%	0.775	S	S	*	*			trans	-139	46.9	140.7	-142.7	-97.2	0	0	0	114	K815	F812-K815 HydrophobicContact CE1-CB 4.26Å; F812-K815 WeakPolarHBondContact CE1-O 3.48Å; F812-K815 HydrophobicContact CZ-CB 4.07Å
813	S	29.4	Very low	31.3	Very low	123 Å²	123	138.7 Å²	138.7	86%	0.86	79%	0.785	S	S	*	*	S	Bend	trans	-101.7	48.3	170.4	-179.2	0	0	0	0	111.5
814	S	30.9	Very low	31.1	Very low	97 Å²	97	136.6 Å²	136.6	68%	0.678	79%	0.787	S	S	*	*	S	Bend	trans	-174.6	71.5	173.1	48.6	0	0	0	0	113.1
815	K	33.1	Very low	31.2	Very low	165 Å²	165	134.6 Å²	134.6	72%	0.717	78%	0.78	S	S	*	*	S	Bend	trans	167.5	85.3	156.5	-93.8	152.3	-173.4	-179.8	0	111.1	F812	F812-K815 HydrophobicContact CE1-CB 4.26Å; F812-K815 WeakPolarHBondContact CE1-O 3.48Å; F812-K815 HydrophobicContact CZ-CB 4.07Å
816	L	32	Very low	31.3	Very low	171 Å²	171	136.5 Å²	136.5	90%	0.895	78%	0.781	S	S	*	*				177.1	78.1	128.1	-115.9	72.4	0	0	0	111.3
817	S	33.2	Very low	31.2	Very low	114 Å²	114	138.7 Å²	138.7	80%	0.797	78%	0.779	S	S	*	*			trans	-152.4	136.6	155.5	57	0	0	0	0	106.4
818	P	31	Very low	31.6	Very low	111 Å²	111	139.1 Å²	139.1	72%	0.721	78%	0.779	S	S	*	*			cis	-123.4	132.4	6	36.1	-19.8	0	0	0	113.8
819	I	33.9	Very low	31.5	Very low	160 Å²	160	139.8 Å²	139.8	82%	0.821	77%	0.773	S	S	*	*			trans	-135.7	86.2	162.9	-54.7	178.3	0	0	0	108.4
820	L	31.8	Very low	31.7	Very low	177 Å²	177	138.5 Å²	138.5	93%	0.927	78%	0.776	S	S	*	*			trans	-178.2	55.5	154.4	-100.8	165.3	0	0	0	109.2
821	Q	32.5	Very low	31.7	Very low	176 Å²	176	140.4 Å²	140.4	82%	0.822	78%	0.778	S	S	*	*			trans	-144.4	58.7	174	-164.1	176.5	6.3	0	0	111
822	T	33.5	Very low	31.8	Very low	125 Å²	125	138.7 Å²	138.7	77%	0.767	77%	0.773	S	S	*	*			trans	-159.4	148.1	166.6	23.2	0	0	0	0	109.9
823	N	32.4	Very low	31.7	Very low	147 Å²	147	138.7 Å²	138.7	79%	0.786	78%	0.779	S	S	*	*			trans	73.4	79.4	167.8	-53.8	-11.6	0	0	0	118.7
824	P	28.9	Very low	31.8	Very low	103 Å²	103	136 Å²	136	67%	0.669	77%	0.771	S	S	*	*			trans	-69.2	166.3	132.9	34.3	-30.7	0	0	0	110.7
825	H	33.4	Very low	31.6	Very low	168 Å²	168	137.5 Å²	137.5	78%	0.778	78%	0.78	S	S	*	*			trans	82.7	98.1	178	-49.3	-77.4	0	0	0	118.1
826	L	31.5	Very low	31.3	Very low	150 Å²	150	134.6 Å²	134.6	79%	0.785	78%	0.78	S	S	*	*			trans	167.5	100.5	134.2	-110.5	61.1	0	0	0	106.8
827	F	31.6	Very low	31.2	Very low	161 Å²	161	132.6 Å²	132.6	71%	0.706	78%	0.775	S	S	*	*				70.5	145.4	92.5	-76.1	-55.1	0	0	0	114.5	L829	F827-L829 HydrophobicContact CD1-CD1 3.72Å; F827-L829 HydrophobicContact CD1-CG 4.1Å; F827-L829 HydrophobicContact CE1-CD1 3.61Å; F827-L829 HydrophobicContact CE1-CG 3.96Å
828	P	35.1	Very low	30.9	Very low	128 Å²	128	133 Å²	133	83%	0.831	78%	0.778	S	S	*	*			cis	-124.5	162.8	29.1	38.4	-23.1	0	0	0	118.4
829	L	27.8	Very low	30.7	Very low	141 Å²	141	139.2 Å²	139.2	74%	0.738	79%	0.787	S	S	*	*			trans	-56.5	153.2	178.9	-69.4	113.4	0	0	0	116.5	F827	F827-L829 HydrophobicContact CD1-CD1 3.72Å; F827-L829 HydrophobicContact CD1-CG 4.1Å; F827-L829 HydrophobicContact CE1-CD1 3.61Å; F827-L829 HydrophobicContact CE1-CG 3.96Å
830	G	31.6	Very low	30.4	Very low	73 Å²	73	140.3 Å²	140.3	75%	0.753	79%	0.789	S	S	*	*			trans	-173.4	75	165.6	0	0	0	0	0	113
831	N	30.9	Very low	30.2	Very low	142 Å²	142	139.8 Å²	139.8	76%	0.759	79%	0.786	S	S	*	*			trans	17.1	134.8	152.9	-61.7	-6.4	0	0	0	119.2
832	T	30.9	Very low	29.9	Very low	111 Å²	111	137 Å²	137	68%	0.681	79%	0.786	S	S	*	*			cis	-173.6	148.1	14.1	7.7	0	0	0	0	111
833	I	31.5	Very low	29.6	Very low	169 Å²	169	141.6 Å²	141.6	87%	0.867	79%	0.789	S	S	*	*			trans	62.1	121.8	152.9	-52.8	155.2	0	0	0	117.6
834	G	30.2	Very low	29.4	Very low	67 Å²	67	143.4 Å²	143.4	69%	0.691	79%	0.79	S	S	*	*			cis	177.7	162.3	-3.4	0	0	0	0	0	112.9
835	C	27.4	Very low	29.2	Very low	129 Å²	129	143.7 Å²	143.7	87%	0.872	80%	0.795	S	S	*	*			trans	13.7	150.4	160.3	-61.2	0	0	0	0	121.9
836	S	26.4	Very low	29.2	Very low	103 Å²	103	141.3 Å²	141.3	72%	0.72	79%	0.792	S	S	*	*			cis	-170.8	148.6	-9	46.4	0	0	0	0	105.8
837	V	30.3	Very low	29	Very low	130 Å²	130	139.8 Å²	139.8	79%	0.788	79%	0.794	S	S	*	*				-173.8	126.4	91.1	157.2	0	0	0	0	107
838	S	26.5	Very low	29.1	Very low	123 Å²	123	137.7 Å²	137.7	86%	0.86	80%	0.797	S	S	*	*			trans	-155.7	95.8	168.3	-76.9	0	0	0	0	109.7
839	R	26.8	Very low	28.7	Very low	240 Å²	240	139.5 Å²	139.5	91%	0.906	80%	0.799	S	S	*	*			trans	-157	107.2	162.2	-98.2	-174.3	-169.5	167.8	4.9	108.4
840	E	28.1	Very low	28.6	Very low	184 Å²	184	137.3 Å²	137.3	86%	0.86	79%	0.794	S	S	*	*			trans	164.9	174.6	134.7	-91.9	-169	177.5	0	0	109.8
841	L	28.1	Very low	28.4	Very low	166 Å²	166	140.7 Å²	140.7	87%	0.869	79%	0.794	S	S	*	*			trans	73.4	53.3	174.2	-51.9	177.8	0	0	0	116.9
842	S	25.2	Very low	28.3	Very low	118 Å²	118	139.2 Å²	139.2	83%	0.825	79%	0.786	S	S	*	*			trans	-115.6	70	145.8	55.7	0	0	0	0	111.1
843	R	27.2	Very low	28.1	Very low	221 Å²	221	143.1 Å²	143.1	83%	0.834	79%	0.794	S	S	*	*			trans	-162.4	151.1	167.2	-109.7	170	-139	-164.9	4	111.3
844	F	28.8	Very low	28	Very low	184 Å²	184	141.7 Å²	141.7	81%	0.807	79%	0.793	S	S	*	*			trans	71.8	84.1	175.9	-64.4	-74.1	0	0	0	118.5
845	S	24.7	Very low	27.9	Very low	110 Å²	110	142.8 Å²	142.8	77%	0.769	79%	0.79	S	S	*	*			trans	-76	125.4	134	57.4	0	0	0	0	110
846	T	32.1	Very low	28	Very low	117 Å²	117	141.8 Å²	141.8	72%	0.718	78%	0.782	S	S	*	*			trans	179.8	106.2	138.1	26.4	0	0	0	0	112.2
847	S	27.4	Very low	28.3	Very low	118 Å²	118	143.9 Å²	143.9	83%	0.825	78%	0.78	S	S	*	*			trans	57.9	150.2	151.6	46.8	0	0	0	0	121.4
848	P	33.3	Very low	28.3	Very low	118 Å²	118	149.3 Å²	149.3	77%	0.766	79%	0.786	S	S	*	*			trans	-111.6	149.2	-163.6	39.2	-29.1	0	0	0	114.7
849	L	28.2	Very low	28.5	Very low	165 Å²	165	152.9 Å²	152.9	86%	0.864	78%	0.781	S	S	*	*			trans	-174.9	147.9	144.8	-104.8	148.9	0	0	0	112.4
850	C	26.1	Very low	28.7	Very low	96 Å²	96	146.3 Å²	146.3	65%	0.649	76%	0.763	S	S	*	*			trans	72.3	121.3	155.1	-71.5	0	0	0	0	122.1
851	L	27	Very low	29	Very low	144 Å²	144	140.5 Å²	140.5	75%	0.754	74%	0.74	S	S	*	*			trans	63.9	144.9	145.4	-77.7	82.4	0	0	0	117.8
852	D	27.4	Very low	29.2	Very low	110 Å²	110	136.1 Å²	136.1	59%	0.588	72%	0.723	S	S	*	*			cis	-153.2	166.8	-8	-139.2	-22.3	0	0	0	110.4	V854	D852-V854 PolarHBondContact O-N 3.47Å
853	K	26.7	Very low	29.7	Very low	194 Å²	194	138.5 Å²	138.5	84%	0.843	72%	0.715	S	S	*	*			trans	-4.3	103.4	167.4	-63.9	156.1	-174.6	166.9	0	117.9
854	V	30.6	Very low	30.1	Very low	139 Å²	139	132.5 Å²	132.5	84%	0.842	70%	0.7	S	S	*	*			trans	-118.2	129.7	157.6	-179.4	0	0	0	0	109.4	D852	D852-V854 PolarHBondContact O-N 3.47Å
855	S	28.3	Very low	30.5	Very low	89 Å²	89	126.2 Å²	126.2	62%	0.622	68%	0.677	S	S	*	*			trans	-71.4	156.7	-170.1	53.9	0	0	0	0	113.8	H857	S855-H857 VanDerWaalsContact C-N 3.27Å; S855-H857 PolarHBondContact O-N 2.92Å
856	P	29	Very low	31	Very low	108 Å²	108	127.3 Å²	127.3	70%	0.701	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-74.3	-9.6	-169.3	-16	31.3	0	0	0	115.4	R858	P856-R858 PolarHBondContact O-N 3.32Å
857	H	33.4	Very low	31.4	Very low	147 Å²	147	126 Å²	126	68%	0.681	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-74.5	-27.2	-161.5	-83.9	-83	0	0	0	115.2	S855 R859	S855-H857 VanDerWaalsContact C-N 3.27Å; S855-H857 PolarHBondContact O-N 2.92Å; H857-R859 VanDerWaalsContact C-N 3.27Å; H857-R859 PolarHBondContact O-N 3.42Å; H857-R859 VanDerWaalsContact O-N 3.15Å
858	R	30.6	Very low	31.9	Very low	245 Å²	245	123.4 Å²	123.4	93%	0.925	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-78.2	4.2	-171.1	-120.9	-178.1	-160.3	-174.1	6.5	116.6	P856	P856-R858 PolarHBondContact O-N 3.32Å
859	R	28.9	Very low	32.3	Very low	198 Å²	198	121.6 Å²	121.6	75%	0.747	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-113.4	6.8	-175.2	-135.7	-177.3	-72.3	-159.4	-0.7	114.4	H857	H857-R859 VanDerWaalsContact C-N 3.27Å; H857-R859 PolarHBondContact O-N 3.42Å; H857-R859 VanDerWaalsContact O-N 3.15Å
860	L	32.2	Very low	33	Very low	102 Å²	102	120.4 Å²	120.4	53%	0.534	62%	0.616	S	S	.	*	S	Bend	trans	-97.9	-14.6	-169.3	-92.5	148.9	0	0	0	115.5
861	T	33.4	Very low	33.8	Very low	61 Å²	61	125.4 Å²	125.4	37%	0.374	62%	0.623	S	S	.	*	S	Bend	trans	-90.6	-37	-174.9	49.2	0	0	0	0	113.5	E888	T861-E888 WeakPolarHBondContact CG2-OE1 3.48Å; T861-E888 WeakPolarHBondContact CG2-OE2 3.5Å
862	S	32.6	Very low	34.7	Very low	74 Å²	74	121 Å²	121	52%	0.517	60%	0.599	S	S	.	*	G	3₁₀ helix	trans	-72.4	-29.3	-178.3	56.6	0	0	0	0	114.9
863	Y	35.1	Very low	35.8	Very low	168 Å²	168	121.2 Å²	121.2	66%	0.659	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-84	-11.3	-170.1	-91.3	-81.5	0	0	0	116
864	N	35.7	Very low	37.1	Very low	96 Å²	96	118.4 Å²	118.4	51%	0.513	59%	0.594	S	S	.	*	G	3₁₀ helix	trans	-95.4	-7.6	-178.6	-79	-53.1	0	0	0	114.4
865	V	38.9	Very low	38.5	Very low	52 Å²	52	114.6 Å²	114.6	32%	0.315	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.1	-38.5	-177.9	-179.1	0	0	0	0	111.9	S867 S868 E869	V865-S867 VanDerWaalsContact C-N 3.27Å; V865-S867 PolarHBondContact O-N 3.24Å; V865-S867 VanDerWaalsContact O-N 3.08Å; V865-S868 PolarHBondContact O-N 3.5Å; V865-S868 VanDerWaalsContact O-N 3.14Å; V865-S868 PolarHBondContact O-OG 3.45Å; V865-E869 HydrophobicContact CG1-CG 4.35Å; V865-E869 WeakPolarHBondContact O-CG 3.26Å
866	Q	34.3	Very low	39.6	Very low	132 Å²	132	113.9 Å²	113.9	62%	0.617	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-59.5	-26.7	-169.5	-76.9	-178.2	-43.4	0	0	115.5
867	S	40	Very low	40.6	Very low	90 Å²	90	111.3 Å²	111.3	63%	0.629	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-83.7	-5.8	-179.8	54.8	0	0	0	0	115.6	V865	V865-S867 VanDerWaalsContact C-N 3.27Å; V865-S867 PolarHBondContact O-N 3.24Å; V865-S867 VanDerWaalsContact O-N 3.08Å
868	S	38.7	Very low	42.1	Very low	63 Å²	63	110.2 Å²	110.2	44%	0.441	54%	0.536	S	S	.	.	G	3₁₀ helix	trans	-109.6	6.7	171.6	69.8	0	0	0	0	113.6	V865 K870	V865-S868 PolarHBondContact O-N 3.5Å; V865-S868 VanDerWaalsContact O-N 3.14Å; V865-S868 PolarHBondContact O-OG 3.45Å; S868-K870 VanDerWaalsContact C-N 3.35Å; S868-K870 PolarHBondContact O-N 3.44Å
869	E	41.7	Very low	43.7	Very low	80 Å²	80	107.4 Å²	107.4	37%	0.374	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-20.4	-170.7	-66	-165.4	115.7	0	0	115.2	V865 Y871 K877	V865-E869 HydrophobicContact CG1-CG 4.35Å; V865-E869 WeakPolarHBondContact O-CG 3.26Å; E869-Y871 VanDerWaalsContact C-N 3.3Å; E869-Y871 PolarHBondContact O-N 3.03Å; E869-K877 IonicContact OE1-NZ 2.67Å; E869-K877 PolarHBondContact OE1-NZ 3Å
870	K	43.3	Very low	44.9	Very low	141 Å²	141	99.9 Å²	99.9	61%	0.613	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-10.1	-174.9	-100.6	-166.2	173.9	-163	0	115.3	E662 S868	E662-K870 VanDerWaalsContact CD-NZ 3.26Å; E662-K870 IonicContact OE1-NZ 3.94Å; E662-K870 PolarHBondContact OE1-NZ 3.31Å; E662-K870 IonicContact OE2-NZ 2.69Å; E662-K870 PolarHBondContact OE2-NZ 3.28Å; S868-K870 VanDerWaalsContact C-N 3.35Å; S868-K870 PolarHBondContact O-N 3.44Å
871	Y	41.6	Very low	46.6	Very low	200 Å²	200	98.5 Å²	98.5	78%	0.784	49%	0.493	S	S	*	.	S	Bend	trans	-141	11	-172.3	-63.6	-73.6	0	0	0	116.8	E869	E869-Y871 VanDerWaalsContact C-N 3.3Å; E869-Y871 PolarHBondContact O-N 3.03Å
872	M	45.9	Very low	48.4	Very low	51 Å²	51	98.8 Å²	98.8	25%	0.251	50%	0.496	S	S	.	.			trans	-101.2	133.5	175.1	-79.2	-170.8	70.8	0	0	112.2	D876 K877 L880	M872-D876 HydrophobicContact CE-CB 3.47Å; M872-D876 VanDerWaalsContact CE-CB 3.47Å; M872-D876 WeakPolarHBondContact CE-O 3.45Å; M872-K877 HydrophobicContact CB-CG 4.25Å; M872-L880 HydrophobicContact CE-CB 4.38Å; M872-L880 HydrophobicContact CE-CD1 3.63Å; M872-L880 HydrophobicContact SD-CD1 3.97Å
873	N	51.6	Low	49.9	Very low	115 Å²	115	100.2 Å²	100.2	62%	0.615	50%	0.497	S	S	*	.			trans	-61.8	149.6	168.2	-87.3	-24	0	0	0	111	S875 D876 K877	N873-S875 PolarHBondContact O-N 3.35Å; N873-D876 PolarHBondContact O-N 3.14Å; N873-K877 PolarHBondContact O-N 3.11Å
874	N	54.3	Low	51.4	Low	135 Å²	135	96.5 Å²	96.5	72%	0.722	49%	0.486	S	S	*	.	H	α-helix	trans	-60.1	-30.6	179.1	-78.9	-15	0	0	0	113.2	D876 Q878	N874-D876 VanDerWaalsContact C-N 3.34Å; N874-Q878 PolarHBondContact O-N 3.17Å
875	S	58.7	Low	53	Low	60 Å²	60	95.7 Å²	95.7	42%	0.42	48%	0.482	S	S	.	.	H	α-helix	trans	-56.6	-49.4	170.3	49.4	0	0	0	0	111.6	N873 Q878 Y879	N873-S875 PolarHBondContact O-N 3.35Å; S875-Q878 PolarHBondContact O-N 3.06Å; S875-Y879 WeakPolarHBondContact O-CD2 3.31Å; S875-Y879 PolarHBondContact O-N 3.13Å; S875-Y879 VanDerWaalsContact O-N 3.09Å
876	D	51.2	Low	54.6	Low	74 Å²	74	96.5 Å²	96.5	40%	0.396	49%	0.487	S	S	.	.	H	α-helix	trans	-75.1	-34.7	-169.8	-51.6	-8.9	0	0	0	109.5	M872 N873 N874 Y879 L880	M872-D876 HydrophobicContact CE-CB 3.47Å; M872-D876 VanDerWaalsContact CE-CB 3.47Å; M872-D876 WeakPolarHBondContact CE-O 3.45Å; N873-D876 PolarHBondContact O-N 3.14Å; N874-D876 VanDerWaalsContact C-N 3.34Å; D876-Y879 PolarHBondContact O-N 3.23Å; D876-L880 WeakPolarHBondContact O-CB 3.34Å; D876-L880 PolarHBondContact O-N 3.25Å
877	K	50.4	Low	56.2	Low	54 Å²	54	94.2 Å²	94.2	24%	0.235	48%	0.482	C	S	.	.	H	α-helix	trans	-54.7	-49.8	167.6	-87.2	-165.9	177.7	-169.4	0	111.2	E869 M872 N873 Y879 L880 I881	E869-K877 IonicContact OE1-NZ 2.67Å; E869-K877 PolarHBondContact OE1-NZ 3Å; M872-K877 HydrophobicContact CB-CG 4.25Å; N873-K877 PolarHBondContact O-N 3.11Å; K877-Y879 PolarHBondContact O-N 3.1Å; K877-L880 PolarHBondContact O-N 3.01Å; K877-I881 VanDerWaalsContact O-CG1 3.3Å; K877-I881 WeakPolarHBondContact O-CG1 3.44Å; K877-I881 PolarHBondContact O-N 3.29Å
878	Q	64.4	Low	57.6	Low	123 Å²	123	93.6 Å²	93.6	58%	0.575	47%	0.469	S	S	*	.	H	α-helix	trans	-63.5	-42.5	-177.5	-163.6	66.6	22.6	0	0	111.9	N874 S875 T882	N874-Q878 PolarHBondContact O-N 3.17Å; S875-Q878 PolarHBondContact O-N 3.06Å; Q878-T882 WeakPolarHBondContact O-CB 3.33Å; Q878-T882 PolarHBondContact O-N 3.25Å; Q878-T882 PolarHBondContact O-OG1 2.69Å
879	Y	63.9	Low	59.2	Low	186 Å²	186	96.6 Å²	96.6	73%	0.729	48%	0.476	S	S	*	.	H	α-helix	trans	-63.5	-41.6	174.8	-85.8	-74.8	0	0	0	112.8	S875 D876 K877 T882 L883	S875-Y879 WeakPolarHBondContact O-CD2 3.31Å; S875-Y879 PolarHBondContact O-N 3.13Å; S875-Y879 VanDerWaalsContact O-N 3.09Å; D876-Y879 PolarHBondContact O-N 3.23Å; K877-Y879 PolarHBondContact O-N 3.1Å; Y879-T882 PolarHBondContact O-N 3.41Å; Y879-L883 WeakPolarHBondContact O-CB 2.99Å; Y879-L883 PolarHBondContact O-N 2.72Å
880	L	55.5	Low	60.6	Low	41 Å²	41	99 Å²	99	22%	0.215	49%	0.486	C	S	.	.	H	α-helix	trans	-69.8	-39.7	-178.7	-134.1	166.1	0	0	0	111.8	F471 M872 D876 K877 L883 M884	F471-L880 HydrophobicContact CE2-CD1 3.93Å; F471-L880 HydrophobicContact CE2-CD2 4.12Å; F471-L880 HydrophobicContact CE2-CG 4.29Å; F471-L880 HydrophobicContact CZ-CD1 3.92Å; F471-L880 HydrophobicContact CZ-CD2 4.06Å; F471-L880 HydrophobicContact CZ-CG 4.49Å; M872-L880 HydrophobicContact CE-CB 4.38Å; M872-L880 HydrophobicContact CE-CD1 3.63Å; M872-L880 HydrophobicContact SD-CD1 3.97Å; D876-L880 WeakPolarHBondContact O-CB 3.34Å; D876-L880 PolarHBondContact O-N 3.25Å; K877-L880 PolarHBondContact O-N 3.01Å; L880-L883 PolarHBondContact O-N 2.78Å; L880-M884 HydrophobicContact CD2-CG 4.1Å; L880-M884 HydrophobicContact CD2-SD 4.07Å; L880-M884 WeakPolarHBondContact O-CB 3.31Å; L880-M884 WeakPolarHBondContact O-CG 3.42Å; L880-M884 PolarHBondContact O-N 2.86Å
881	I	68.2	Low	61.8	Low	72 Å²	72	96 Å²	96	37%	0.369	48%	0.479	S	S	.	.	H	α-helix	trans	-61.2	-50	172.1	-67.5	164.9	0	0	0	109.8	K877 L883 M884 D885	K877-I881 VanDerWaalsContact O-CG1 3.3Å; K877-I881 WeakPolarHBondContact O-CG1 3.44Å; K877-I881 PolarHBondContact O-N 3.29Å; I881-L883 VanDerWaalsContact C-N 3.28Å; I881-L883 PolarHBondContact O-N 3.02Å; I881-M884 PolarHBondContact O-N 3.14Å; I881-M884 VanDerWaalsContact O-N 3.1Å; I881-D885 PolarHBondContact O-N 2.88Å
882	T	70.4	Confident	63.4	Low	68 Å²	68	92.4 Å²	92.4	42%	0.417	47%	0.47	S	S	.	.	H	α-helix	trans	-61.4	-36.1	179.2	-49.8	0	0	0	0	112.2	Q878 Y879 T886	Q878-T882 WeakPolarHBondContact O-CB 3.33Å; Q878-T882 PolarHBondContact O-N 3.25Å; Q878-T882 PolarHBondContact O-OG1 2.69Å; Y879-T882 PolarHBondContact O-N 3.41Å; T882-T886 WeakPolarHBondContact O-CB 3.37Å; T882-T886 WeakPolarHBondContact O-CG2 3.47Å; T882-T886 PolarHBondContact O-N 3.15Å; T882-T886 PolarHBondContact O-OG1 3.12Å
883	L	64.8	Low	64.8	Low	104 Å²	104	98.9 Å²	98.9	55%	0.545	49%	0.491	S	S	.	.	H	α-helix	trans	-69	-40.2	174.9	-168	79	0	0	0	111.9	Y879 L880 I881 T886 V887	Y879-L883 WeakPolarHBondContact O-CB 2.99Å; Y879-L883 PolarHBondContact O-N 2.72Å; L880-L883 PolarHBondContact O-N 2.78Å; I881-L883 VanDerWaalsContact C-N 3.28Å; I881-L883 PolarHBondContact O-N 3.02Å; L883-T886 WeakPolarHBondContact CA-OG1 3.27Å; L883-T886 PolarHBondContact O-OG1 3.44Å; L883-T886 VanDerWaalsContact O-OG1 3.08Å; L883-V887 WeakPolarHBondContact O-CB 3.34Å; L883-V887 VanDerWaalsContact O-CG2 3.27Å; L883-V887 WeakPolarHBondContact O-CG2 3.17Å; L883-V887 PolarHBondContact O-N 2.99Å
884	M	66.2	Low	65.6	Low	89 Å²	89	99.6 Å²	99.6	44%	0.438	49%	0.486	S	S	.	.	H	α-helix	trans	-67.6	-45.6	176.2	-75.3	-170.4	61.5	0	0	111.4	L880 I881 T886 V887 E888	L880-M884 HydrophobicContact CD2-CG 4.1Å; L880-M884 HydrophobicContact CD2-SD 4.07Å; L880-M884 WeakPolarHBondContact O-CB 3.31Å; L880-M884 WeakPolarHBondContact O-CG 3.42Å; L880-M884 PolarHBondContact O-N 2.86Å; I881-M884 PolarHBondContact O-N 3.14Å; I881-M884 VanDerWaalsContact O-N 3.1Å; M884-T886 VanDerWaalsContact C-N 3.33Å; M884-T886 PolarHBondContact O-N 2.95Å; M884-V887 PolarHBondContact O-N 2.99Å; M884-E888 WeakPolarHBondContact O-CB 3.41Å; M884-E888 PolarHBondContact O-N 2.93Å
885	D	69	Low	66.6	Low	79 Å²	79	98.2 Å²	98.2	42%	0.422	48%	0.478	S	S	.	.	H	α-helix	trans	-59.8	-42	176.2	-70.2	-11.6	0	0	0	111.5	I881 E888 Q889	I881-D885 PolarHBondContact O-N 2.88Å; D885-E888 PolarHBondContact O-N 3.17Å; D885-Q889 VanDerWaalsContact O-CB 3.3Å; D885-Q889 WeakPolarHBondContact O-CB 3.45Å; D885-Q889 VanDerWaalsContact O-CG 3.23Å; D885-Q889 WeakPolarHBondContact O-CG 3.47Å; D885-Q889 PolarHBondContact O-N 3.36Å
886	T	73	Confident	67.6	Low	69 Å²	69	100.5 Å²	100.5	42%	0.423	49%	0.486	S	S	.	.	H	α-helix	trans	-70.2	-34.1	177.5	46.6	0	0	0	0	113.1	T882 L883 M884 F890	T882-T886 WeakPolarHBondContact O-CB 3.37Å; T882-T886 WeakPolarHBondContact O-CG2 3.47Å; T882-T886 PolarHBondContact O-N 3.15Å; T882-T886 PolarHBondContact O-OG1 3.12Å; L883-T886 WeakPolarHBondContact CA-OG1 3.27Å; L883-T886 PolarHBondContact O-OG1 3.44Å; L883-T886 VanDerWaalsContact O-OG1 3.08Å; M884-T886 VanDerWaalsContact C-N 3.33Å; M884-T886 PolarHBondContact O-N 2.95Å; T886-F890 VanDerWaalsContact O-CB 3.23Å; T886-F890 WeakPolarHBondContact O-CB 3.49Å; T886-F890 PolarHBondContact O-N 3.28Å
887	V	66.5	Low	68.9	Low	84 Å²	84	101 Å²	101	51%	0.509	49%	0.487	S	S	.	.	H	α-helix	trans	-69.2	-40.6	171.7	169.8	0	0	0	0	111.3	L883 M884 F890 T891	L883-V887 WeakPolarHBondContact O-CB 3.34Å; L883-V887 VanDerWaalsContact O-CG2 3.27Å; L883-V887 WeakPolarHBondContact O-CG2 3.17Å; L883-V887 PolarHBondContact O-N 2.99Å; M884-V887 PolarHBondContact O-N 2.99Å; V887-F890 WeakPolarHBondContact O-CB 3.38Å; V887-F890 PolarHBondContact O-N 3.36Å; V887-T891 PolarHBondContact O-N 3.2Å; V887-T891 PolarHBondContact O-OG1 3.43Å
888	E	70.7	Confident	69.8	Low	77 Å²	77	103.1 Å²	103.1	36%	0.36	50%	0.501	S	S	.	.	H	α-helix	trans	-67.8	-46	179.4	-166.5	159.8	-155	0	0	111	T861 M884 D885 F890 T891 E892	T861-E888 WeakPolarHBondContact CG2-OE1 3.48Å; T861-E888 WeakPolarHBondContact CG2-OE2 3.5Å; M884-E888 WeakPolarHBondContact O-CB 3.41Å; M884-E888 PolarHBondContact O-N 2.93Å; D885-E888 PolarHBondContact O-N 3.17Å; E888-F890 VanDerWaalsContact C-N 3.3Å; E888-F890 PolarHBondContact O-N 2.8Å; E888-T891 WeakPolarHBondContact CA-OG1 3.25Å; E888-T891 PolarHBondContact O-N 2.87Å; E888-T891 VanDerWaalsContact O-N 3.11Å; E888-T891 PolarHBondContact O-OG1 2.83Å; E888-E892 PolarHBondContact O-N 2.99Å
889	Q	72.5	Confident	70.6	Confident	126 Å²	126	100.5 Å²	100.5	59%	0.589	49%	0.493	S	S	*	.	H	α-helix	trans	-57.5	-39.9	169.7	-74.9	176.9	17	0	0	112.4	D885 R893	D885-Q889 VanDerWaalsContact O-CB 3.3Å; D885-Q889 WeakPolarHBondContact O-CB 3.45Å; D885-Q889 VanDerWaalsContact O-CG 3.23Å; D885-Q889 WeakPolarHBondContact O-CG 3.47Å; D885-Q889 PolarHBondContact O-N 3.36Å; Q889-R893 WeakPolarHBondContact O-CB 3.35Å; Q889-R893 PolarHBondContact O-N 2.75Å
890	F	70.4	Confident	71.3	Confident	131 Å²	131	94.8 Å²	94.8	58%	0.575	48%	0.48	S	S	*	.	H	α-helix	trans	-64.5	-42.6	175.4	-177.2	-96.1	0	0	0	111	T886 V887 E888 R893 W894	T886-F890 VanDerWaalsContact O-CB 3.23Å; T886-F890 WeakPolarHBondContact O-CB 3.49Å; T886-F890 PolarHBondContact O-N 3.28Å; V887-F890 WeakPolarHBondContact O-CB 3.38Å; V887-F890 PolarHBondContact O-N 3.36Å; E888-F890 VanDerWaalsContact C-N 3.3Å; E888-F890 PolarHBondContact O-N 2.8Å; F890-R893 PolarHBondContact O-N 3.41Å; F890-W894 AromaticContact CD1-CD1 3.63Å; F890-W894 AromaticContact CD2-CD1 3.95Å; F890-W894 AromaticContact CE1-CD1 3.38Å; F890-W894 HydrophobicContact CE1-CG 4.45Å; F890-W894 AromaticContact CE1-NE1 3.42Å; F890-W894 AromaticContact CE2-CD1 3.72Å; F890-W894 AromaticContact CE2-NE1 3.32Å; F890-W894 VanDerWaalsContact CE2-NE1 3.32Å; F890-W894 AromaticContact CG-CD1 3.93Å; F890-W894 AromaticContact CZ-CD1 3.45Å; F890-W894 VanDerWaalsContact CZ-CD1 3.45Å; F890-W894 AromaticContact CZ-NE1 3Å; F890-W894 WeakPolarHBondContact O-CB 3.26Å; F890-W894 VanDerWaalsContact O-CD1 3.3Å; F890-W894 PolarHBondContact O-N 3.17Å
891	T	69.5	Low	72.2	Confident	77 Å²	77	97.9 Å²	97.9	47%	0.472	50%	0.497	S	S	.	.	H	α-helix	trans	-66.7	-45	176.5	48	0	0	0	0	113.2	V887 E888 R893 W894 D895	V887-T891 PolarHBondContact O-N 3.2Å; V887-T891 PolarHBondContact O-OG1 3.43Å; E888-T891 WeakPolarHBondContact CA-OG1 3.25Å; E888-T891 PolarHBondContact O-N 2.87Å; E888-T891 VanDerWaalsContact O-N 3.11Å; E888-T891 PolarHBondContact O-OG1 2.83Å; T891-R893 VanDerWaalsContact C-N 3.32Å; T891-R893 PolarHBondContact O-N 3.28Å; T891-W894 PolarHBondContact O-N 3.25Å; T891-D895 PolarHBondContact O-N 2.75Å
892	E	75.2	Confident	72.8	Confident	126 Å²	126	98.6 Å²	98.6	59%	0.589	50%	0.504	S	S	*	.	H	α-helix	trans	-61.3	-41.6	174.9	-72.8	-168.5	149.3	0	0	111.3	E888 D895 N896	E888-E892 PolarHBondContact O-N 2.99Å; E892-D895 PolarHBondContact O-N 3.33Å; E892-N896 WeakPolarHBondContact O-CB 3.19Å; E892-N896 PolarHBondContact O-N 3.43Å; E892-N896 PolarHBondContact O-ND2 2.96Å
893	R	75.3	Confident	73.3	Confident	186 Å²	186	99.2 Å²	99.2	70%	0.702	51%	0.505	S	S	*	.	H	α-helix	trans	-69	-34.4	179.4	-162.1	172	-169.5	172.5	2.7	112	Q889 F890 T891 I897	Q889-R893 WeakPolarHBondContact O-CB 3.35Å; Q889-R893 PolarHBondContact O-N 2.75Å; F890-R893 PolarHBondContact O-N 3.41Å; T891-R893 VanDerWaalsContact C-N 3.32Å; T891-R893 PolarHBondContact O-N 3.28Å; R893-I897 HydrophobicContact CG-CD1 4.49Å; R893-I897 WeakPolarHBondContact O-CD1 3.41Å; R893-I897 VanDerWaalsContact O-CG1 3.22Å; R893-I897 WeakPolarHBondContact O-CG1 3.2Å; R893-I897 PolarHBondContact O-N 3.07Å
894	W	68.1	Low	74.1	Confident	131 Å²	131	98.6 Å²	98.6	50%	0.496	50%	0.502	S	S	.	.	H	α-helix	trans	-69	-40.4	171.5	-94.4	97.4	0	0	0	113	F890 T891 N896 I897 L898	F890-W894 AromaticContact CD1-CD1 3.63Å; F890-W894 AromaticContact CD2-CD1 3.95Å; F890-W894 AromaticContact CE1-CD1 3.38Å; F890-W894 HydrophobicContact CE1-CG 4.45Å; F890-W894 AromaticContact CE1-NE1 3.42Å; F890-W894 AromaticContact CE2-CD1 3.72Å; F890-W894 AromaticContact CE2-NE1 3.32Å; F890-W894 VanDerWaalsContact CE2-NE1 3.32Å; F890-W894 AromaticContact CG-CD1 3.93Å; F890-W894 AromaticContact CZ-CD1 3.45Å; F890-W894 VanDerWaalsContact CZ-CD1 3.45Å; F890-W894 AromaticContact CZ-NE1 3Å; F890-W894 WeakPolarHBondContact O-CB 3.26Å; F890-W894 VanDerWaalsContact O-CD1 3.3Å; F890-W894 PolarHBondContact O-N 3.17Å; T891-W894 PolarHBondContact O-N 3.25Å; W894-N896 VanDerWaalsContact C-N 3.33Å; W894-N896 PolarHBondContact O-N 2.95Å; W894-I897 PolarHBondContact O-N 3.5Å; W894-I897 VanDerWaalsContact O-N 3.17Å; W894-L898 WeakPolarHBondContact O-CB 3.42Å; W894-L898 PolarHBondContact O-N 3Å
895	D	75.7	Confident	74.6	Confident	106 Å²	106	99.5 Å²	99.5	57%	0.567	51%	0.505	S	S	*	.	H	α-helix	trans	-64.7	-39.9	177.2	-157.7	37.1	0	0	0	111.1	T891 E892 L898 T899	T891-D895 PolarHBondContact O-N 2.75Å; E892-D895 PolarHBondContact O-N 3.33Å; D895-L898 PolarHBondContact O-N 3.1Å; D895-T899 WeakPolarHBondContact O-CB 3.33Å; D895-T899 WeakPolarHBondContact O-CG2 3.26Å; D895-T899 PolarHBondContact O-N 3.25Å; D895-T899 PolarHBondContact O-OG1 2.85Å
896	N	79.3	Confident	75.2	Confident	108 Å²	108	103.6 Å²	103.6	58%	0.578	52%	0.515	S	S	*	.	H	α-helix	trans	-63.5	-37.4	170.7	-74.9	-54.1	0	0	0	113.3	E892 W894 T899 S900	E892-N896 WeakPolarHBondContact O-CB 3.19Å; E892-N896 PolarHBondContact O-N 3.43Å; E892-N896 PolarHBondContact O-ND2 2.96Å; W894-N896 VanDerWaalsContact C-N 3.33Å; W894-N896 PolarHBondContact O-N 2.95Å; N896-T899 WeakPolarHBondContact CA-OG1 3.39Å; N896-T899 PolarHBondContact O-OG1 3.01Å; N896-S900 WeakPolarHBondContact O-CB 3.2Å; N896-S900 PolarHBondContact O-N 2.94Å; N896-S900 VanDerWaalsContact O-N 3.07Å
897	I	77.8	Confident	75.7	Confident	83 Å²	83	106.4 Å²	106.4	43%	0.426	52%	0.521	S	S	.	.	H	α-helix	trans	-68.5	-43.5	174.1	-73.1	163.3	0	0	0	110.4	R893 W894 S900 L901	R893-I897 HydrophobicContact CG-CD1 4.49Å; R893-I897 WeakPolarHBondContact O-CD1 3.41Å; R893-I897 VanDerWaalsContact O-CG1 3.22Å; R893-I897 WeakPolarHBondContact O-CG1 3.2Å; R893-I897 PolarHBondContact O-N 3.07Å; W894-I897 PolarHBondContact O-N 3.5Å; W894-I897 VanDerWaalsContact O-N 3.17Å; I897-S900 PolarHBondContact O-N 3.28Å; I897-L901 WeakPolarHBondContact O-CB 3.43Å; I897-L901 PolarHBondContact O-N 3Å
898	L	70.4	Confident	76.4	Confident	100 Å²	100	107.9 Å²	107.9	52%	0.524	52%	0.522	S	S	.	.	H	α-helix	trans	-65.2	-46.5	-178.3	-142.3	92.8	0	0	0	111.2	W894 D895 L901 V902	W894-L898 WeakPolarHBondContact O-CB 3.42Å; W894-L898 PolarHBondContact O-N 3Å; D895-L898 PolarHBondContact O-N 3.1Å; L898-L901 PolarHBondContact O-N 3.37Å; L898-V902 WeakPolarHBondContact O-CB 3.22Å; L898-V902 VanDerWaalsContact O-CG2 3.27Å; L898-V902 WeakPolarHBondContact O-CG2 3.36Å; L898-V902 PolarHBondContact O-N 3.36Å
899	T	79.2	Confident	76.8	Confident	67 Å²	67	110 Å²	110	41%	0.411	54%	0.535	S	S	.	.	H	α-helix	trans	-63.2	-43.8	176	46.9	0	0	0	0	111.9	D895 N896 L901 V902 D903	D895-T899 WeakPolarHBondContact O-CB 3.33Å; D895-T899 WeakPolarHBondContact O-CG2 3.26Å; D895-T899 PolarHBondContact O-N 3.25Å; D895-T899 PolarHBondContact O-OG1 2.85Å; N896-T899 WeakPolarHBondContact CA-OG1 3.39Å; N896-T899 PolarHBondContact O-OG1 3.01Å; T899-L901 PolarHBondContact O-N 3.18Å; T899-V902 PolarHBondContact O-N 3.05Å; T899-D903 WeakPolarHBondContact O-CB 3.48Å; T899-D903 PolarHBondContact O-N 3.27Å
900	S	79.7	Confident	77.4	Confident	66 Å²	66	108.3 Å²	108.3	46%	0.462	53%	0.53	S	S	.	.	H	α-helix	trans	-57.7	-44	172.7	176.6	0	0	0	0	112.8	N896 I897 D903 N904	N896-S900 WeakPolarHBondContact O-CB 3.2Å; N896-S900 PolarHBondContact O-N 2.94Å; N896-S900 VanDerWaalsContact O-N 3.07Å; I897-S900 PolarHBondContact O-N 3.28Å; S900-D903 PolarHBondContact O-N 3.38Å; S900-N904 PolarHBondContact O-N 2.98Å
901	L	74.3	Confident	78.1	Confident	107 Å²	107	106.9 Å²	106.9	56%	0.56	53%	0.528	S	S	*	.	H	α-helix	trans	-68.8	-40.8	180	-157.1	116.4	0	0	0	111.7	I897 L898 T899 N904 H905	I897-L901 WeakPolarHBondContact O-CB 3.43Å; I897-L901 PolarHBondContact O-N 3Å; L898-L901 PolarHBondContact O-N 3.37Å; T899-L901 PolarHBondContact O-N 3.18Å; L901-N904 PolarHBondContact O-N 2.97Å; L901-H905 PolarHBondContact O-N 3.17Å
902	V	80.2	Confident	78.6	Confident	87 Å²	87	108 Å²	108	53%	0.527	53%	0.53	S	S	.	.	H	α-helix	trans	-63.3	-43.9	173.5	168.3	0	0	0	0	111.2	L898 T899 H905 R906	L898-V902 WeakPolarHBondContact O-CB 3.22Å; L898-V902 VanDerWaalsContact O-CG2 3.27Å; L898-V902 WeakPolarHBondContact O-CG2 3.36Å; L898-V902 PolarHBondContact O-N 3.36Å; T899-V902 PolarHBondContact O-N 3.05Å; V902-H905 PolarHBondContact O-N 3.24Å; V902-R906 WeakPolarHBondContact O-CB 3.34Å; V902-R906 PolarHBondContact O-N 2.86Å
903	D	81.3	Confident	79	Confident	80 Å²	80	108 Å²	108	43%	0.428	53%	0.529	S	S	.	.	H	α-helix	trans	-67.5	-35.9	177.9	-88.3	-16.4	0	0	0	112.5	T899 S900 R906 K907	T899-D903 WeakPolarHBondContact O-CB 3.48Å; T899-D903 PolarHBondContact O-N 3.27Å; S900-D903 PolarHBondContact O-N 3.38Å; D903-R906 PolarHBondContact O-N 3.44Å; D903-K907 VanDerWaalsContact O-CG 3.29Å; D903-K907 WeakPolarHBondContact O-CG 3.46Å; D903-K907 PolarHBondContact O-N 2.92Å
904	N	81.7	Confident	79.5	Confident	92 Å²	92	105.2 Å²	105.2	49%	0.492	52%	0.523	S	S	.	.	H	α-helix	trans	-66.6	-49	173.3	-92.6	2.1	0	0	0	111.9	S900 L901 R906 K907 E908	S900-N904 PolarHBondContact O-N 2.98Å; L901-N904 PolarHBondContact O-N 2.97Å; N904-R906 PolarHBondContact O-N 3.37Å; N904-K907 WeakPolarHBondContact O-CB 3.34Å; N904-K907 PolarHBondContact O-N 3.31Å; N904-K907 VanDerWaalsContact O-N 3.08Å; N904-E908 PolarHBondContact O-N 2.86Å
905	H	76	Confident	80.2	Confident	107 Å²	107	102.8 Å²	102.8	50%	0.495	52%	0.52	S	S	.	.	H	α-helix	trans	-61.4	-34.4	174.6	-96.6	-26.5	0	0	0	112.4	L901 V902 E908 L909	L901-H905 PolarHBondContact O-N 3.17Å; V902-H905 PolarHBondContact O-N 3.24Å; H905-E908 IonicContact CE1-OE2 2.92Å; H905-E908 IonicContact ND1-OE2 3.94Å; H905-E908 PolarHBondContact ND1-OE2 3.44Å; H905-E908 PolarHBondContact O-N 3.47Å; H905-L909 WeakPolarHBondContact O-CB 3.37Å; H905-L909 PolarHBondContact O-N 3.41Å
906	R	82.2	Confident	80.4	Confident	165 Å²	165	103.1 Å²	103.1	62%	0.623	52%	0.521	S	S	*	.	H	α-helix	trans	-65.5	-37.1	174.5	-168.4	177.9	-174.8	-158.8	1.5	112.1	V902 D903 N904 L910	V902-R906 WeakPolarHBondContact O-CB 3.34Å; V902-R906 PolarHBondContact O-N 2.86Å; D903-R906 PolarHBondContact O-N 3.44Å; N904-R906 PolarHBondContact O-N 3.37Å; R906-L910 WeakPolarHBondContact O-CB 3.34Å; R906-L910 VanDerWaalsContact O-CG 3.27Å; R906-L910 WeakPolarHBondContact O-CG 3.41Å; R906-L910 PolarHBondContact O-N 3.28Å
907	K	84.2	Confident	80.6	Confident	128 Å²	128	102.1 Å²	102.1	56%	0.557	52%	0.515	S	S	*	.	H	α-helix	trans	-67.5	-43.7	172.7	-72.1	166	-171.7	168	0	111.9	D903 N904 L909 L910 L911	D903-K907 VanDerWaalsContact O-CG 3.29Å; D903-K907 WeakPolarHBondContact O-CG 3.46Å; D903-K907 PolarHBondContact O-N 2.92Å; N904-K907 WeakPolarHBondContact O-CB 3.34Å; N904-K907 PolarHBondContact O-N 3.31Å; N904-K907 VanDerWaalsContact O-N 3.08Å; K907-L909 PolarHBondContact O-N 2.83Å; K907-L910 PolarHBondContact O-N 3.35Å; K907-L911 WeakPolarHBondContact O-CB 3.42Å; K907-L911 PolarHBondContact O-N 3.44Å
908	E	81.5	Confident	80.7	Confident	116 Å²	116	104 Å²	104	54%	0.542	52%	0.522	S	S	.	.	H	α-helix	trans	-61.6	-43	175.6	-70.9	-179.2	151.5	0	0	111.9	N904 H905 L910 L911 L912	N904-E908 PolarHBondContact O-N 2.86Å; H905-E908 IonicContact CE1-OE2 2.92Å; H905-E908 IonicContact ND1-OE2 3.94Å; H905-E908 PolarHBondContact ND1-OE2 3.44Å; H905-E908 PolarHBondContact O-N 3.47Å; E908-L910 VanDerWaalsContact C-N 3.34Å; E908-L910 PolarHBondContact O-N 3.41Å; E908-L911 PolarHBondContact O-N 2.9Å; E908-L912 WeakPolarHBondContact O-CB 3.3Å; E908-L912 WeakPolarHBondContact O-CG 3.39Å; E908-L912 PolarHBondContact O-N 3.06Å
909	L	79.4	Confident	81	Confident	120 Å²	120	105.9 Å²	105.9	63%	0.628	52%	0.523	S	S	*	.	H	α-helix	trans	-62.9	-37.3	174.2	-84.9	163.4	0	0	0	112.9	H905 K907 K913	H905-L909 WeakPolarHBondContact O-CB 3.37Å; H905-L909 PolarHBondContact O-N 3.41Å; K907-L909 PolarHBondContact O-N 2.83Å; L909-K913 VanDerWaalsContact O-CB 3.29Å; L909-K913 WeakPolarHBondContact O-CB 3.49Å; L909-K913 PolarHBondContact O-N 3.37Å
910	L	83.7	Confident	81	Confident	92 Å²	92	106 Å²	106	48%	0.482	52%	0.524	S	S	.	.	H	α-helix	trans	-67.6	-42.2	174.1	-75.6	167.6	0	0	0	111.6	R906 K907 E908 K913 E914	R906-L910 WeakPolarHBondContact O-CB 3.34Å; R906-L910 VanDerWaalsContact O-CG 3.27Å; R906-L910 WeakPolarHBondContact O-CG 3.41Å; R906-L910 PolarHBondContact O-N 3.28Å; K907-L910 PolarHBondContact O-N 3.35Å; E908-L910 VanDerWaalsContact C-N 3.34Å; E908-L910 PolarHBondContact O-N 3.41Å; L910-K913 WeakPolarHBondContact O-CB 3.35Å; L910-K913 PolarHBondContact O-N 3.23Å; L910-E914 PolarHBondContact O-N 2.78Å
911	L	84.7	Confident	80.9	Confident	100 Å²	100	106.4 Å²	106.4	52%	0.524	52%	0.523	S	S	.	.	H	α-helix	trans	-68.9	-38.7	179	-166.9	146.2	0	0	0	112	K907 E908 K913 E914 N915	K907-L911 WeakPolarHBondContact O-CB 3.42Å; K907-L911 PolarHBondContact O-N 3.44Å; E908-L911 PolarHBondContact O-N 2.9Å; L911-K913 VanDerWaalsContact C-N 3.33Å; L911-E914 PolarHBondContact O-N 2.99Å; L911-N915 WeakPolarHBondContact O-CB 3.5Å; L911-N915 VanDerWaalsContact O-CG 3.27Å; L911-N915 PolarHBondContact O-N 3.39Å; L911-N915 PolarHBondContact O-ND2 3.38Å
912	L	80.2	Confident	80.8	Confident	100 Å²	100	105.9 Å²	105.9	52%	0.524	52%	0.521	S	S	.	.	H	α-helix	trans	-62.6	-39	169.4	-79.7	169.7	0	0	0	112.1	E908 N915 L916	E908-L912 WeakPolarHBondContact O-CB 3.3Å; E908-L912 WeakPolarHBondContact O-CG 3.39Å; E908-L912 PolarHBondContact O-N 3.06Å; L912-N915 PolarHBondContact O-N 2.85Å; L912-L916 WeakPolarHBondContact O-CB 3.33Å; L912-L916 WeakPolarHBondContact O-CG 3.36Å; L912-L916 PolarHBondContact O-N 2.96Å
913	K	84.7	Confident	80.3	Confident	128 Å²	128	107 Å²	107	56%	0.557	52%	0.521	S	S	*	.	H	α-helix	trans	-65	-41.8	175.1	-175.8	-175.1	176.5	-172.6	0	111.7	L909 L910 L911 L916 I917	L909-K913 VanDerWaalsContact O-CB 3.29Å; L909-K913 WeakPolarHBondContact O-CB 3.49Å; L909-K913 PolarHBondContact O-N 3.37Å; L910-K913 WeakPolarHBondContact O-CB 3.35Å; L910-K913 PolarHBondContact O-N 3.23Å; L911-K913 VanDerWaalsContact C-N 3.33Å; K913-L916 PolarHBondContact O-N 3.23Å; K913-I917 HydrophobicContact CG-CD1 4.04Å; K913-I917 VanDerWaalsContact O-CG1 3.25Å; K913-I917 WeakPolarHBondContact O-CG1 3.49Å; K913-I917 PolarHBondContact O-N 3.44Å
914	E	85	Confident	79.6	Confident	126 Å²	126	109.9 Å²	109.9	59%	0.589	54%	0.536	S	S	*	.	H	α-helix	trans	-64.1	-43.5	175	-74.5	179.3	169.3	0	0	111.8	L910 L911 L916 I917 Q918	L910-E914 PolarHBondContact O-N 2.78Å; L911-E914 PolarHBondContact O-N 2.99Å; E914-L916 PolarHBondContact O-N 2.91Å; E914-I917 PolarHBondContact O-N 2.84Å; E914-Q918 PolarHBondContact O-N 3.43Å
915	N	84.1	Confident	78.5	Confident	81 Å²	81	110 Å²	110	43%	0.433	54%	0.544	S	S	.	.	H	α-helix	trans	-62.4	-40.3	175	-71.5	-15.4	0	0	0	112.4	L911 L912 Q918 Y919	L911-N915 WeakPolarHBondContact O-CB 3.5Å; L911-N915 VanDerWaalsContact O-CG 3.27Å; L911-N915 PolarHBondContact O-N 3.39Å; L911-N915 PolarHBondContact O-ND2 3.38Å; L912-N915 PolarHBondContact O-N 2.85Å; N915-Q918 PolarHBondContact O-N 3.22Å; N915-Y919 WeakPolarHBondContact O-CB 3.48Å; N915-Y919 PolarHBondContact O-N 2.93Å
916	L	80.1	Confident	77.1	Confident	112 Å²	112	114.4 Å²	114.4	59%	0.586	57%	0.571	S	S	*	*	H	α-helix	trans	-67.2	-36.9	174.8	-79.1	166.2	0	0	0	112.4	L912 K913 E914 T920	L912-L916 WeakPolarHBondContact O-CB 3.33Å; L912-L916 WeakPolarHBondContact O-CG 3.36Å; L912-L916 PolarHBondContact O-N 2.96Å; K913-L916 PolarHBondContact O-N 3.23Å; E914-L916 PolarHBondContact O-N 2.91Å; L916-T920 WeakPolarHBondContact O-CB 3.44Å; L916-T920 WeakPolarHBondContact O-CG2 3.44Å; L916-T920 PolarHBondContact O-N 3.48Å; L916-T920 PolarHBondContact O-OG1 2.97Å
917	I	82.6	Confident	76.9	Confident	87 Å²	87	111.9 Å²	111.9	45%	0.446	57%	0.568	S	S	.	*	H	α-helix	trans	-64.8	-47.1	172.9	-70.8	165.1	0	0	0	109.9	K913 E914 Y919 T920 T921	K913-I917 HydrophobicContact CG-CD1 4.04Å; K913-I917 VanDerWaalsContact O-CG1 3.25Å; K913-I917 WeakPolarHBondContact O-CG1 3.49Å; K913-I917 PolarHBondContact O-N 3.44Å; E914-I917 PolarHBondContact O-N 2.84Å; I917-Y919 PolarHBondContact O-N 2.91Å; I917-T920 WeakPolarHBondContact CA-OG1 3.38Å; I917-T920 PolarHBondContact O-N 3.03Å; I917-T920 PolarHBondContact O-OG1 3.19Å; I917-T920 VanDerWaalsContact O-OG1 3.08Å; I917-T921 PolarHBondContact O-N 3.1Å; I917-T921 PolarHBondContact O-OG1 2.67Å
918	Q	79.5	Confident	76.5	Confident	123 Å²	123	111.1 Å²	111.1	58%	0.575	57%	0.569	S	S	*	*	H	α-helix	trans	-59.7	-43.4	175.6	-77.1	-166.9	-9.8	0	0	112.5	E914 N915 T921 N922	E914-Q918 PolarHBondContact O-N 3.43Å; N915-Q918 PolarHBondContact O-N 3.22Å; Q918-T921 WeakPolarHBondContact CA-OG1 3.49Å; Q918-T921 PolarHBondContact O-N 3.47Å; Q918-T921 PolarHBondContact O-OG1 3.42Å; Q918-N922 WeakPolarHBondContact O-CB 3.21Å; Q918-N922 PolarHBondContact O-N 3.39Å
919	Y	77.6	Confident	76.2	Confident	140 Å²	140	110.8 Å²	110.8	55%	0.549	57%	0.57	S	S	.	*	H	α-helix	trans	-63.4	-43.5	178.3	-169.7	-93.7	0	0	0	111.8	N915 I917 N922 Q923	N915-Y919 WeakPolarHBondContact O-CB 3.48Å; N915-Y919 PolarHBondContact O-N 2.93Å; I917-Y919 PolarHBondContact O-N 2.91Å; Y919-N922 PolarHBondContact O-N 3.26Å; Y919-Q923 HydrophobicContact CD1-CG 4.37Å; Y919-Q923 VanDerWaalsContact CE1-CD 3.43Å; Y919-Q923 HydrophobicContact CE1-CG 3.96Å; Y919-Q923 PolarHBondContact O-N 3Å; Y919-Q923 PolarHBondContact OH-NE2 3.02Å
920	T	78.3	Confident	76	Confident	69 Å²	69	110.2 Å²	110.2	42%	0.423	57%	0.567	S	S	.	*	H	α-helix	trans	-72.3	-31.9	177.4	49.5	0	0	0	0	113.3	L916 I917 N924	L916-T920 WeakPolarHBondContact O-CB 3.44Å; L916-T920 WeakPolarHBondContact O-CG2 3.44Å; L916-T920 PolarHBondContact O-N 3.48Å; L916-T920 PolarHBondContact O-OG1 2.97Å; I917-T920 WeakPolarHBondContact CA-OG1 3.38Å; I917-T920 PolarHBondContact O-N 3.03Å; I917-T920 PolarHBondContact O-OG1 3.19Å; I917-T920 VanDerWaalsContact O-OG1 3.08Å; T920-N924 WeakPolarHBondContact O-CB 3.41Å; T920-N924 VanDerWaalsContact O-CG 3.29Å; T920-N924 PolarHBondContact O-N 3.12Å; T920-N924 VanDerWaalsContact O-N 3.15Å; T920-N924 PolarHBondContact O-ND2 3.03Å
921	T	77	Confident	75.5	Confident	74 Å²	74	111.4 Å²	111.4	45%	0.454	57%	0.572	S	S	.	*	H	α-helix	trans	-68	-38.4	169.7	48.7	0	0	0	0	111.9	I917 Q918 N924 S925	I917-T921 PolarHBondContact O-N 3.1Å; I917-T921 PolarHBondContact O-OG1 2.67Å; Q918-T921 WeakPolarHBondContact CA-OG1 3.49Å; Q918-T921 PolarHBondContact O-N 3.47Å; Q918-T921 PolarHBondContact O-OG1 3.42Å; T921-N924 PolarHBondContact O-N 2.98Å; T921-S925 PolarHBondContact O-N 3.19Å; T921-S925 VanDerWaalsContact O-N 3.14Å; T921-S925 PolarHBondContact O-OG 3.2Å
922	N	73.7	Confident	74.9	Confident	96 Å²	96	112.1 Å²	112.1	51%	0.513	58%	0.575	S	S	.	*	H	α-helix	trans	-70.5	-36	178.4	-72	-7.4	0	0	0	112.3	Q918 Y919 N924 S925 L926	Q918-N922 WeakPolarHBondContact O-CB 3.21Å; Q918-N922 PolarHBondContact O-N 3.39Å; Y919-N922 PolarHBondContact O-N 3.26Å; N922-N924 VanDerWaalsContact C-N 3.31Å; N922-S925 WeakPolarHBondContact CA-OG 3.42Å; N922-S925 PolarHBondContact O-N 3Å; N922-S925 PolarHBondContact O-OG 3.32Å; N922-L926 PolarHBondContact O-N 3.27Å
923	Q	68.3	Low	74.6	Confident	111 Å²	111	113 Å²	113	52%	0.519	58%	0.579	S	S	.	*	H	α-helix	trans	-73.3	-16.7	172.4	-82	-161.1	-35.1	0	0	114.5	Y919	Y919-Q923 HydrophobicContact CD1-CG 4.37Å; Y919-Q923 VanDerWaalsContact CE1-CD 3.43Å; Y919-Q923 HydrophobicContact CE1-CG 3.96Å; Y919-Q923 PolarHBondContact O-N 3Å; Y919-Q923 PolarHBondContact OH-NE2 3.02Å
924	N	67.4	Low	73.8	Confident	141 Å²	141	111.8 Å²	111.8	75%	0.754	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-4.8	172.7	-72.6	-33.8	0	0	0	112.9	T920 T921 N922	T920-N924 WeakPolarHBondContact O-CB 3.41Å; T920-N924 VanDerWaalsContact O-CG 3.29Å; T920-N924 PolarHBondContact O-N 3.12Å; T920-N924 VanDerWaalsContact O-N 3.15Å; T920-N924 PolarHBondContact O-ND2 3.03Å; T921-N924 PolarHBondContact O-N 2.98Å; N922-N924 VanDerWaalsContact C-N 3.31Å
925	S	59.6	Low	72.8	Confident	94 Å²	94	110.7 Å²	110.7	66%	0.657	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-9.1	172.2	62.5	0	0	0	0	113.8	T921 N922	T921-S925 PolarHBondContact O-N 3.19Å; T921-S925 VanDerWaalsContact O-N 3.14Å; T921-S925 PolarHBondContact O-OG 3.2Å; N922-S925 WeakPolarHBondContact CA-OG 3.42Å; N922-S925 PolarHBondContact O-N 3Å; N922-S925 PolarHBondContact O-OG 3.32Å
926	L	46	Very low	71.8	Confident	200 Å²	200	113.4 Å²	113.4	100%	1.047	59%	0.593	S	S	*	*			trans	-95.8	0	167.2	-90	157.3	0	0	0	109.7	N922	N922-L926 PolarHBondContact O-N 3.27Å

Retrieved 926 of 926 residues in 256.1 ms (Link to these results)

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