A0A096N5N7_PAPAN Loading...

ATP-dependent 6-phosphofructokinase

Catalyzes the phosphorylation of D-fructose 6-phosphate to fructose 1,6-bisphosphate by ATP, the first committing step of glycolysis.

AlphaFold DB (A0A5S6RBE2), UniProt , Accession A0A096N5N7, Species PAPAN (Papio anubis, Olive baboon), Gene PFKM, Length 851 aa.

						>A0A096N5N7_PAPAN|A0A096N5N7|PFKM
MHKDEFHLKFFMCVIQSRQLVRTPQRTAGEASTSSMLIPKPPTKTDTLKSLDTLDDPDTVRSIPVFKTEWIMTHEEHHAAKTLGIGKAIAVLTSGGDAQGMNAAVRAVVRVGIFTGARVFFVHEGYQGLVDGGDNIKEATWESVSMMLQLGGTVIGSARCKDFREREGRLRAAYNLVKRGITNLCVIGGDGSLTGADTFRSEWSDLLGDLQKAGKITDEEATKSSYLNIVGLVGSIDNDFCGTDMTIGTDSALHRIIEIVDAITTTAQSHQRTFVLEVMGRHCGYLALVTSLSCGADWVFIPECPPDDDWEEHLCRRLSETRTRGSRLNIIIVAEGAIDRNGKPITSEDIKNLVVKRLGYDTRVTVLGHVQRGGTPSAFDRILGSRMGVEAVMALLEGTPDTPACVVSLSGNQAVRLPLMECVQVTKDVTKAMEEKKFDEALKLRGRSFMNNWEVYKLLAHVRPPVSKSGSHTVAVMNVGAPAAGMNAAVRSTVRIGLIQGNRVLVVHDGFEGLAKGQIEEAGWSYVGGWTGQGGSKLGTKRTLPKKSFEQISANITKFNIQGLVIIGGFEAYTGGLELMEGRKQFDELCIPFVVIPATVSNNVPGSDFSVGADTALNTICTTCDRIKQSAAGTKRRVFIIETMGGYCGYLATMAGLAAGADAAYIFEEPFTIRDLQANVEHLVQKMKTTVKRGLVLRNEKCNENYTTDFIFNLYSEEGKGIFDSRKNVLGHMQQGGSPTPFDRNFATKMGAKAMNWMSGKIKESYRNGRIFANTPDSGCVLGMRKRALLFQPVTELQGQTDFEHRIPKEQWWLKLRPILKILAKYEIDLDTSDHAHLEHITRKRSGEGAV
					

Structure Viewer

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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	33.3	Very low	32.6	Very low	234 Å²	234	185.3 Å²	185.3	100%	1.153	86%	0.859	S	S	*	*				0	128.5	0	-78.3	164.9	68.8	0	0	108.7
2	H	32	Very low	32.2	Very low	166 Å²	166	184.3 Å²	184.3	77%	0.769	86%	0.859	S	S	*	*			trans	25.3	114.5	169.9	-62	-70.1	0	0	0	121.1
3	K	30.1	Very low	31.9	Very low	207 Å²	207	179 Å²	179	90%	0.9	85%	0.853	S	S	*	*			trans	-139.4	29.5	154	-125.1	-176.1	-175.1	-175.5	0	113
4	D	34	Very low	31.7	Very low	151 Å²	151	175.8 Å²	175.8	81%	0.807	85%	0.85	S	S	*	*			trans	-121	38.8	-169.5	-67.9	-57.9	0	0	0	114.4
5	E	33.8	Very low	31.6	Very low	172 Å²	172	174.6 Å²	174.6	80%	0.804	85%	0.847	S	S	*	*	S	Bend	trans	-131.7	23.2	-176.4	-140.4	-178.6	-178.4	0	0	115.8
6	F	34.8	Very low	31.4	Very low	203 Å²	203	175.7 Å²	175.7	89%	0.89	85%	0.85	S	S	*	*	S	Bend	trans	-120.7	-11.3	175	-121	-95.6	0	0	0	115.9
7	H	35.1	Very low	31.2	Very low	181 Å²	181	172.2 Å²	172.2	84%	0.838	85%	0.848	S	S	*	*	S	Bend	trans	-92.8	-7.1	-179.2	-88.1	-69.9	0	0	0	115.5
8	L	32.4	Very low	31	Very low	143 Å²	143	176.3 Å²	176.3	75%	0.749	85%	0.853	S	S	*	*	S	Bend	trans	-94.9	-10.5	-173.7	-127.9	75.5	0	0	0	116
9	K	32	Very low	30.7	Very low	199 Å²	199	177.2 Å²	177.2	87%	0.865	86%	0.855	S	S	*	*	S	Bend	trans	-90.7	-4	-175.6	-82.1	-175.8	176.8	172.9	0	116.2
10	F	31.8	Very low	30.4	Very low	199 Å²	199	176.3 Å²	176.3	87%	0.873	85%	0.854	S	S	*	*	S	Bend	trans	-101.6	-8.4	177	-130.3	-94.3	0	0	0	114.5
11	F	28.9	Very low	30.2	Very low	183 Å²	183	174.7 Å²	174.7	80%	0.803	86%	0.855	S	S	*	*	S	Bend	trans	-102	-8.3	-176.6	-113	-92.1	0	0	0	115.1
12	M	28.3	Very low	29.8	Very low	173 Å²	173	174.2 Å²	174.2	85%	0.852	84%	0.84	S	S	*	*	S	Bend	trans	-102.1	34.6	-180	-69.6	-158.3	78	0	0	114.5
13	C	27.8	Very low	29.4	Very low	116 Å²	116	172.5 Å²	172.5	78%	0.784	84%	0.842	S	S	*	*	S	Bend	trans	-120.9	7.8	175.9	-156.4	0	0	0	0	114.8
14	V	30.3	Very low	29.3	Very low	134 Å²	134	168.6 Å²	168.6	81%	0.812	84%	0.838	S	S	*	*	S	Bend	trans	-124.8	1.2	-177.6	-174.1	0	0	0	0	113.1
15	I	30.2	Very low	28.8	Very low	158 Å²	158	170.6 Å²	170.6	81%	0.81	84%	0.842	S	S	*	*	S	Bend	trans	-121.1	62.1	176.6	-51.1	174	0	0	0	110.6
16	Q	28.2	Very low	28.3	Very low	192 Å²	192	174 Å²	174	90%	0.897	85%	0.848	S	S	*	*			trans	-154.9	50.6	169.2	-130.2	177.2	15.9	0	0	114.8
17	S	27.1	Very low	27.9	Very low	117 Å²	117	171.6 Å²	171.6	82%	0.818	85%	0.849	S	S	*	*			trans	-152.7	51.4	170.1	47.1	0	0	0	0	113.6
18	R	27.3	Very low	27.4	Very low	246 Å²	246	168.3 Å²	168.3	93%	0.928	85%	0.854	S	S	*	*			trans	-141.2	79.9	163	-88.2	-166.2	173.8	-170.4	-0.5	111.5
19	Q	25.8	Very low	26.9	Very low	192 Å²	192	164.5 Å²	164.5	90%	0.897	85%	0.849	S	S	*	*			trans	-173.8	102.1	149.1	-109	176.5	14.9	0	0	109.8
20	L	25.6	Very low	26.5	Very low	159 Å²	159	164.7 Å²	164.7	83%	0.832	85%	0.853	S	S	*	*			trans	-162.1	70.4	157.2	-112.4	167.1	0	0	0	108.8
21	V	26	Very low	26.1	Very low	144 Å²	144	160 Å²	160	87%	0.873	85%	0.851	S	S	*	*			trans	-89.2	111.5	163	176	0	0	0	0	106.6
22	R	24.8	Very low	25.9	Very low	223 Å²	223	156.8 Å²	156.8	84%	0.842	85%	0.851	S	S	*	*			trans	-130.8	124.8	163.6	-84.4	-171	171.9	-175.9	-1.7	109.4
23	T	23.7	Very low	25.7	Very low	130 Å²	130	155.1 Å²	155.1	80%	0.798	85%	0.851	S	S	*	*			trans	-67.1	151.7	169.2	31.5	0	0	0	0	111.6
24	P	27	Very low	25.5	Very low	126 Å²	126	155.2 Å²	155.2	82%	0.818	85%	0.853	S	S	*	*			trans	-106	136.3	146.8	7.2	12.5	0	0	0	110.4
25	Q	23.9	Very low	25.2	Very low	192 Å²	192	154 Å²	154	90%	0.897	85%	0.85	S	S	*	*			trans	-77.6	161.9	171	-79.5	171.7	-63.3	0	0	111.9
26	R	24.4	Very low	24.9	Very low	245 Å²	245	155 Å²	155	93%	0.925	85%	0.853	S	S	*	*			trans	-70.2	146	172.8	-66.2	170.1	166.7	173.1	-6.9	112.2
27	T	24.8	Very low	24.7	Very low	151 Å²	151	154 Å²	154	93%	0.926	85%	0.854	S	S	*	*			trans	-132.6	160.8	144.7	40.5	0	0	0	0	109.1
28	A	24.3	Very low	24.7	Very low	113 Å²	113	156 Å²	156	93%	0.934	85%	0.854	S	S	*	*			trans	-116.5	175.8	-154.8	0	0	0	0	0	115.3
29	G	22.9	Very low	24.8	Very low	63 Å²	63	150 Å²	150	65%	0.649	85%	0.846	S	S	*	*			trans	138.5	93.5	179	0	0	0	0	0	109.6
30	E	23.6	Very low	24.9	Very low	203 Å²	203	150.4 Å²	150.4	95%	0.949	85%	0.845	S	S	*	*				64.7	129.8	93.7	-69.6	-176	176.2	0	0	113.1
31	A	23.6	Very low	25	Very low	99 Å²	99	148.5 Å²	148.5	82%	0.818	84%	0.842	S	S	*	*			cis	-148.4	-169.6	-3.7	0	0	0	0	0	107.9
32	S	24.1	Very low	25.1	Very low	116 Å²	116	147.9 Å²	147.9	81%	0.811	84%	0.841	S	S	*	*			cis	-149.8	-163.1	7.4	65.2	0	0	0	0	110.8
33	T	24.3	Very low	25.2	Very low	138 Å²	138	143.6 Å²	143.6	85%	0.847	84%	0.84	S	S	*	*			trans	-113.2	148.5	-176.4	45.3	0	0	0	0	114.4
34	S	23.6	Very low	25.3	Very low	118 Å²	118	146.8 Å²	146.8	83%	0.825	84%	0.843	S	S	*	*			trans	-159.2	127	150.8	-176.7	0	0	0	0	110.4
35	S	23.7	Very low	25.2	Very low	108 Å²	108	146.1 Å²	146.1	76%	0.755	84%	0.837	S	S	*	*			trans	-120.9	132.5	-178.3	56.3	0	0	0	0	110.4
36	M	24	Very low	25.2	Very low	179 Å²	179	144.3 Å²	144.3	88%	0.882	83%	0.833	S	S	*	*			trans	-124.7	120	167.3	-78.8	-169.7	173	0	0	111.7
37	L	25.2	Very low	25.3	Very low	173 Å²	173	139.6 Å²	139.6	91%	0.906	83%	0.832	S	S	*	*			trans	-83.8	142.8	165.8	-76	145.7	0	0	0	109.3
38	I	26.9	Very low	25.2	Very low	159 Å²	159	139.6 Å²	139.6	82%	0.815	83%	0.825	S	S	*	*			trans	-132.1	141.7	167.1	-66.7	-174.9	0	0	0	108.2
39	P	29	Very low	25.2	Very low	118 Å²	118	143.1 Å²	143.1	77%	0.766	82%	0.82	S	S	*	*			trans	-106.6	173.5	-146.4	40.1	-35.3	0	0	0	116.3
40	K	26.6	Very low	25.2	Very low	201 Å²	201	144.8 Å²	144.8	87%	0.874	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-71.5	146.8	168.9	-69.7	-179.3	174.4	-178.9	0	112.5
41	P	28.5	Very low	25.1	Very low	120 Å²	120	143.3 Å²	143.3	78%	0.779	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-89.5	167.3	159.2	34.6	-29.4	0	0	0	112.6
42	P	28.4	Very low	25.1	Very low	131 Å²	131	145.4 Å²	145.4	85%	0.851	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-102.6	171.3	-157.9	39.3	-36.9	0	0	0	116.4
43	T	26.2	Very low	25.2	Very low	133 Å²	133	146 Å²	146	82%	0.816	82%	0.815	S	S	*	*			trans	-117	134.9	172.4	49.7	0	0	0	0	112
44	K	26.6	Very low	25.2	Very low	196 Å²	196	147.6 Å²	147.6	85%	0.852	82%	0.818	S	S	*	*			trans	-177.3	110.5	154.9	-98.7	-179.5	-179	-172	0	106.4
45	T	24.6	Very low	25.4	Very low	113 Å²	113	149.9 Å²	149.9	69%	0.693	82%	0.821	S	S	*	*				79.5	148.4	72.4	60.7	0	0	0	0	115.4
46	D	24.7	Very low	25.4	Very low	153 Å²	153	150.4 Å²	150.4	82%	0.818	82%	0.815	S	S	*	*			trans	81.1	132.4	176.7	-47.7	-31.7	0	0	0	114.9
47	T	24.6	Very low	25.7	Very low	147 Å²	147	147.8 Å²	147.8	90%	0.902	81%	0.811	S	S	*	*			cis	-132	177.2	11.3	43.1	0	0	0	0	114.1
48	L	24.1	Very low	25.7	Very low	151 Å²	151	146 Å²	146	79%	0.791	80%	0.802	S	S	*	*			trans	-127.5	152.8	-165.7	-135.7	156.3	0	0	0	110.5
49	K	23.5	Very low	25.8	Very low	187 Å²	187	144.5 Å²	144.5	81%	0.813	80%	0.801	S	S	*	*			trans	75.2	146.5	169.6	-55.3	-178.7	-178.6	179.8	0	115.4
50	S	22.7	Very low	25.7	Very low	97 Å²	97	145.5 Å²	145.5	68%	0.678	81%	0.805	S	S	*	*			cis	-172.6	147.6	-6.3	41.8	0	0	0	0	109.3
51	L	23.1	Very low	25.7	Very low	173 Å²	173	146.8 Å²	146.8	91%	0.906	80%	0.804	S	S	*	*			trans	-175.6	127.5	137.1	-105	149.3	0	0	0	110.9
52	D	23	Very low	25.6	Very low	143 Å²	143	146.8 Å²	146.8	77%	0.765	81%	0.807	S	S	*	*			trans	-80.2	174.3	172.1	-66.6	-68.9	0	0	0	111.8
53	T	25	Very low	25.4	Very low	129 Å²	129	147.6 Å²	147.6	79%	0.791	80%	0.803	S	S	*	*			trans	72	109.1	167.9	66.2	0	0	0	0	117.3
54	L	24.7	Very low	25.3	Very low	171 Å²	171	146.8 Å²	146.8	90%	0.895	80%	0.8	S	S	*	*				-169.4	122.6	106.9	-96.6	160.7	0	0	0	110.1
55	D	28.8	Very low	25.1	Very low	166 Å²	166	143.2 Å²	143.2	89%	0.888	79%	0.794	S	S	*	*			trans	-75.6	127	168.3	-66.2	-70.4	0	0	0	110.1
56	D	24.2	Very low	24.9	Very low	119 Å²	119	147.1 Å²	147.1	64%	0.636	80%	0.802	S	S	*	*			trans	-154.8	114	158.6	-163.8	-9	0	0	0	110.3	D58	D56-D58 PolarHBondContact O-N 3.06Å
57	P	28.7	Very low	24.7	Very low	124 Å²	124	147.4 Å²	147.4	81%	0.805	80%	0.796	S	S	*	*			trans	-87.8	10.7	-168.4	34	-36.1	0	0	0	116.5
58	D	26.6	Very low	24.6	Very low	134 Å²	134	146.6 Å²	146.6	72%	0.717	79%	0.791	S	S	*	*			trans	-98.1	0.9	-169.6	-99.8	-31.5	0	0	0	117.3	D56	D56-D58 PolarHBondContact O-N 3.06Å
59	T	27.8	Very low	24.5	Very low	128 Å²	128	145.7 Å²	145.7	79%	0.785	78%	0.782	S	S	*	*			trans	-98.1	16.3	-172.1	-14.7	0	0	0	0	116.6
60	V	27.7	Very low	24.6	Very low	139 Å²	139	147.3 Å²	147.3	84%	0.842	78%	0.784	S	S	*	*			trans	-119.8	70.9	175.6	-168.6	0	0	0	0	112.1
61	R	26.3	Very low	24.6	Very low	228 Å²	228	150.2 Å²	150.2	86%	0.86	79%	0.79	S	S	*	*			trans	-140.3	89.1	166.6	-77.7	-171.2	175.2	-178.1	2	112.2
62	S	27	Very low	24.7	Very low	120 Å²	120	146.4 Å²	146.4	84%	0.839	77%	0.768	S	S	*	*			trans	171.8	63.7	147.3	41.8	0	0	0	0	113.2
63	I	24.7	Very low	24.9	Very low	149 Å²	149	143.5 Å²	143.5	76%	0.764	76%	0.756	S	S	*	*			trans	-122.4	123.5	157.4	-59.3	177.5	0	0	0	106.6	V65	I63-V65 VanDerWaalsContact C-N 3.32Å; I63-V65 PolarHBondContact O-N 3.23Å
64	P	22.2	Very low	25.3	Very low	116 Å²	116	144.8 Å²	144.8	75%	0.753	75%	0.753	S	S	*	*			trans	-74	87.3	180	30	-33.6	0	0	0	110.2	F66	P64-F66 PolarHBondContact O-N 3.24Å
65	V	22.6	Very low	25.3	Very low	120 Å²	120	145 Å²	145	73%	0.727	75%	0.749	S	S	*	*			trans	-64.1	119.1	161.1	178.4	0	0	0	0	107.1	I63 K67	I63-V65 VanDerWaalsContact C-N 3.32Å; I63-V65 PolarHBondContact O-N 3.23Å; V65-K67 PolarHBondContact O-N 2.98Å
66	F	21.1	Very low	25.6	Very low	196 Å²	196	142.6 Å²	142.6	86%	0.86	73%	0.733	S	S	*	*			trans	-62.9	98.9	168.8	-88.4	-91.5	0	0	0	108.9	P64 T68	P64-F66 PolarHBondContact O-N 3.24Å; F66-T68 PolarHBondContact O-N 3.44Å; F66-T68 VanDerWaalsContact O-N 3.14Å
67	K	19.9	Very low	26.5	Very low	159 Å²	159	140.2 Å²	140.2	69%	0.691	72%	0.718	S	S	*	*			trans	-65.3	106.2	168.8	-88.2	179.7	149.2	-158.3	0	109.4	V65 E69	V65-K67 PolarHBondContact O-N 2.98Å; K67-E69 HydrophobicContact CB-CG 4.32Å; K67-E69 HydrophobicContact CD-CG 4.44Å; K67-E69 WeakPolarHBondContact CD-OE1 3.27Å; K67-E69 WeakPolarHBondContact CE-OE1 3.47Å; K67-E69 IonicContact NZ-OE1 2.82Å; K67-E69 PolarHBondContact NZ-OE1 2.77Å; K67-E69 PolarHBondContact O-N 3.33Å
68	T	23.5	Very low	27.1	Very low	130 Å²	130	140.9 Å²	140.9	80%	0.798	71%	0.709	S	S	*	*			trans	-71.4	80.3	156.3	13.8	0	0	0	0	108.9	F66 W70	F66-T68 PolarHBondContact O-N 3.44Å; F66-T68 VanDerWaalsContact O-N 3.14Å; T68-W70 VanDerWaalsContact C-N 3.25Å; T68-W70 PolarHBondContact O-N 2.9Å
69	E	22.3	Very low	28.4	Very low	132 Å²	132	136.8 Å²	136.8	62%	0.617	70%	0.695	S	S	*	*			trans	-76.8	79.8	169.3	-86.3	175.9	-178	0	0	110.5	K67	K67-E69 HydrophobicContact CB-CG 4.32Å; K67-E69 HydrophobicContact CD-CG 4.44Å; K67-E69 WeakPolarHBondContact CD-OE1 3.27Å; K67-E69 WeakPolarHBondContact CE-OE1 3.47Å; K67-E69 IonicContact NZ-OE1 2.82Å; K67-E69 PolarHBondContact NZ-OE1 2.77Å; K67-E69 PolarHBondContact O-N 3.33Å
70	W	24.1	Very low	29.7	Very low	221 Å²	221	131.2 Å²	131.2	84%	0.837	66%	0.662	S	S	*	*			trans	-125	69.9	157	-76.4	98.1	0	0	0	108.3	T68 M72	T68-W70 VanDerWaalsContact C-N 3.25Å; T68-W70 PolarHBondContact O-N 2.9Å; W70-M72 HydrophobicContact CE3-CE 4.36Å; W70-M72 HydrophobicContact CZ3-CE 4.08Å
71	I	23.2	Very low	31.3	Very low	157 Å²	157	127.9 Å²	127.9	81%	0.805	64%	0.636	S	S	*	*			trans	-109.2	85.3	170.7	-55.7	178.2	0	0	0	107.2
72	M	26.3	Very low	33.4	Very low	93 Å²	93	120 Å²	120	46%	0.458	61%	0.613	S	S	.	*			trans	-68.9	147.6	164	-75.1	177.5	170.5	0	0	109.5	W70 E76 H77	W70-M72 HydrophobicContact CE3-CE 4.36Å; W70-M72 HydrophobicContact CZ3-CE 4.08Å; M72-E76 WeakPolarHBondContact CB-OE2 3.42Å; M72-H77 PolarHBondContact O-NE2 3.44Å
73	T	25.9	Very low	35.9	Very low	83 Å²	83	117 Å²	117	51%	0.509	59%	0.587	S	S	.	*			trans	-77.8	149	-172.9	64.5	0	0	0	0	111.2	E75 E76 H77	T73-E75 PolarHBondContact O-N 3.04Å; T73-E76 PolarHBondContact N-OE2 3.19Å; T73-E76 PolarHBondContact O-N 2.72Å; T73-H77 PolarHBondContact O-CD2 2.77Å; T73-H77 PolarHBondContact O-NE2 3.15Å
74	H	33.2	Very low	38.5	Very low	155 Å²	155	109.9 Å²	109.9	72%	0.718	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	-20.4	-175.5	-116.8	21.1	0	0	0	114.8	H77	H74-H77 AromaticContact ND1-CE1 3.7Å; H74-H77 AromaticContact ND1-ND1 3.41Å; H74-H77 PolarHBondContact ND1-ND1 2.97Å; H74-H77 PolarHBondContact O-N 2.95Å
75	E	26.6	Very low	41.6	Very low	176 Å²	176	109.8 Å²	109.8	82%	0.822	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-29	178.5	-64.2	-177	141.4	0	0	112.5	T73 H77	T73-E75 PolarHBondContact O-N 3.04Å; E75-H77 VanDerWaalsContact C-N 3.31Å
76	E	35.1	Very low	44.5	Very low	116 Å²	116	108.1 Å²	108.1	54%	0.542	55%	0.55	S	S	.	.	G	3₁₀ helix	trans	-73.9	-24.2	174.8	-62.5	173.5	131.9	0	0	111.7	M72 T73 H78 A79	M72-E76 WeakPolarHBondContact CB-OE2 3.42Å; T73-E76 PolarHBondContact N-OE2 3.19Å; T73-E76 PolarHBondContact O-N 2.72Å; E76-H78 VanDerWaalsContact C-N 3.28Å; E76-H78 PolarHBondContact O-N 3.25Å; E76-A79 PolarHBondContact O-N 3.31Å
77	H	42.3	Very low	47.8	Very low	69 Å²	69	101.8 Å²	101.8	32%	0.319	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-70.4	-21.1	-172.6	-62.2	-159.9	0	0	0	113.2	M72 T73 H74 E75	M72-H77 PolarHBondContact O-NE2 3.44Å; T73-H77 PolarHBondContact O-CD2 2.77Å; T73-H77 PolarHBondContact O-NE2 3.15Å; H74-H77 AromaticContact ND1-CE1 3.7Å; H74-H77 AromaticContact ND1-ND1 3.41Å; H74-H77 PolarHBondContact ND1-ND1 2.97Å; H74-H77 PolarHBondContact O-N 2.95Å; E75-H77 VanDerWaalsContact C-N 3.31Å
78	H	42	Very low	51.4	Low	137 Å²	137	94.4 Å²	94.4	63%	0.634	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-88.4	-12.6	-178.6	-87.9	-75.7	0	0	0	114.8	E76 T82	E76-H78 VanDerWaalsContact C-N 3.28Å; E76-H78 PolarHBondContact O-N 3.25Å; H78-T82 WeakPolarHBondContact O-CG2 3.2Å; H78-T82 PolarHBondContact O-OG1 3.08Å
79	A	52.4	Low	55	Low	49 Å²	49	88.2 Å²	88.2	41%	0.405	45%	0.453	S	S	.	.	H	α-helix	trans	-66.2	-53.1	-169.7	0	0	0	0	0	113.2	E76 K81 T82 L83	E76-A79 PolarHBondContact O-N 3.31Å; A79-K81 VanDerWaalsContact C-N 3.33Å; A79-K81 PolarHBondContact O-N 3.26Å; A79-T82 PolarHBondContact O-N 3.26Å; A79-T82 VanDerWaalsContact O-N 3.1Å; A79-T82 PolarHBondContact O-OG1 3.31Å; A79-T82 VanDerWaalsContact O-OG1 3.05Å; A79-L83 PolarHBondContact O-N 3.45Å
80	A	55.4	Low	58.5	Low	11 Å²	11	82 Å²	82	9%	0.091	42%	0.423	C	S	.	.	H	α-helix	trans	-63.1	-35.6	-171.6	0	0	0	0	0	113.8	T82 T115 L830 T832	A80-T82 VanDerWaalsContact C-N 3.28Å; A80-T82 PolarHBondContact O-N 2.84Å; A80-T115 WeakPolarHBondContact O-CG2 3.15Å; A80-L830 HydrophobicContact CB-CB 4.31Å; A80-T832 HydrophobicContact CB-CG2 3.99Å
81	K	60.9	Low	62.1	Low	68 Å²	68	71.4 Å²	71.4	30%	0.296	38%	0.383	S	S	.	.	H	α-helix	trans	-76.5	-11.8	179.8	-70.6	163	179.4	153.2	0	113.6	A79 F114 T115 I828 D829	A79-K81 VanDerWaalsContact C-N 3.33Å; A79-K81 PolarHBondContact O-N 3.26Å; K81-F114 HydrophobicContact CG-CE1 4.25Å; K81-F114 HydrophobicContact CG-CZ 4.15Å; K81-T115 CarbonylContact O-C 3.6Å; K81-T115 VanDerWaalsContact O-C 3.3Å; K81-T115 VanDerWaalsContact O-O 3.13Å; K81-I828 WeakPolarHBondContact CE-O 3.49Å; K81-I828 PolarHBondContact NZ-O 3.02Å; K81-D829 IonicContact NZ-OD1 3.59Å; K81-D829 PolarHBondContact NZ-OD1 3.5Å
82	T	71.9	Confident	65.6	Low	64 Å²	64	64 Å²	64	39%	0.393	35%	0.345	S	S	.	.	H	α-helix	trans	-113.2	-11.9	-175.9	57.9	0	0	0	0	113.8	H78 A79 A80 G84 I85	H78-T82 WeakPolarHBondContact O-CG2 3.2Å; H78-T82 PolarHBondContact O-OG1 3.08Å; A79-T82 PolarHBondContact O-N 3.26Å; A79-T82 VanDerWaalsContact O-N 3.1Å; A79-T82 PolarHBondContact O-OG1 3.31Å; A79-T82 VanDerWaalsContact O-OG1 3.05Å; A80-T82 VanDerWaalsContact C-N 3.28Å; A80-T82 PolarHBondContact O-N 2.84Å; T82-G84 PolarHBondContact O-N 2.77Å; T82-I85 HydrophobicContact CG2-CD1 3.76Å; T82-I85 WeakPolarHBondContact O-CB 3.39Å; T82-I85 PolarHBondContact O-N 3.02Å
83	L	78.3	Confident	68.9	Low	55 Å²	55	59.5 Å²	59.5	29%	0.288	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.7	-30.9	177.1	-84.1	168.6	0	0	0	115.8	A79 K87 L396	A79-L83 PolarHBondContact O-N 3.45Å; L83-K87 WeakPolarHBondContact O-CD 3.41Å; L83-K87 PolarHBondContact O-NZ 3.38Å; L83-L396 HydrophobicContact CB-CD1 4.23Å
84	G	79	Confident	72.1	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-7	-177.6	0	0	0	0	0	115.4	T82 G86 K87 T115 G116 A117	T82-G84 PolarHBondContact O-N 2.77Å; G84-G86 PolarHBondContact O-N 2.73Å; G84-K87 WeakPolarHBondContact O-CB 3.46Å; G84-K87 PolarHBondContact O-N 3Å; G84-T115 WeakPolarHBondContact CA-O 3.41Å; G84-T115 PolarHBondContact N-O 3.44Å; G84-G116 CarbonylContact O-C 3.52Å; G84-A117 VanDerWaalsContact O-CA 3.24Å; G84-A117 WeakPolarHBondContact O-CA 3.42Å; G84-A117 PolarHBondContact O-N 3.49Å
85	I	86.8	Confident	74.8	Confident	115 Å²	115	50.4 Å²	50.4	59%	0.59	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	128	-177.6	-66.7	177.7	0	0	0	110	T82 K87	T82-I85 HydrophobicContact CG2-CD1 3.76Å; T82-I85 WeakPolarHBondContact O-CB 3.39Å; T82-I85 PolarHBondContact O-N 3.02Å; I85-K87 PolarHBondContact O-N 2.86Å
86	G	84.9	Confident	77.8	Confident	85 Å²	85	44 Å²	44	88%	0.876	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	-5.2	-176.6	0	0	0	0	0	115.3	G84	G84-G86 PolarHBondContact O-N 2.73Å
87	K	90.8	Very high	80.5	Confident	63 Å²	63	41.3 Å²	41.3	27%	0.274	26%	0.257	S	S	.	.			trans	-95	151.4	175.2	-63.5	175.4	-177.7	162.6	0	111.2	L83 G84 I85 A117 R118 L396	L83-K87 WeakPolarHBondContact O-CD 3.41Å; L83-K87 PolarHBondContact O-NZ 3.38Å; G84-K87 WeakPolarHBondContact O-CB 3.46Å; G84-K87 PolarHBondContact O-N 3Å; I85-K87 PolarHBondContact O-N 2.86Å; K87-A117 WeakPolarHBondContact O-CA 3.5Å; K87-R118 PolarHBondContact O-N 3.15Å; K87-L396 HydrophobicContact CB-CD2 4.39Å; K87-L396 HydrophobicContact CD-CD2 3.63Å; K87-L396 PolarHBondContact NZ-O 3.22Å
88	A	95.6	Very high	82.9	Confident	4 Å²	4	38 Å²	38	3%	0.033	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	140	170.6	0	0	0	0	0	111.9	R118 F120 I181 N183	A88-R118 CarbonylContact C-O 3.56Å; A88-R118 WeakPolarHBondContact CA-O 3.33Å; A88-R118 HydrophobicContact CB-CB 4.21Å; A88-F120 HydrophobicContact CB-CD2 4.43Å; A88-F120 HydrophobicContact CB-CE2 3.98Å; A88-I181 HydrophobicContact CB-CG1 4.07Å; A88-N183 WeakPolarHBondContact O-CB 3.49Å; A88-N183 PolarHBondContact O-N 3.48Å; A88-N183 PolarHBondContact O-ND2 3Å; A88-N183 VanDerWaalsContact O-ND2 3.08Å
89	I	97.2	Very high	85.5	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.8	-178	-60.9	166.7	0	0	0	109.1	V108 A117 R118 V119 F120 N183 V392 L395 L396	I89-V108 HydrophobicContact CG2-CG1 4.18Å; I89-A117 HydrophobicContact CD1-CB 4.05Å; I89-A117 HydrophobicContact CG1-CB 4.47Å; I89-R118 PolarHBondContact N-O 3.49Å; I89-V119 HydrophobicContact CB-CG1 4.45Å; I89-V119 HydrophobicContact CG2-CG1 4.49Å; I89-V119 CarbonylContact O-C 3.58Å; I89-V119 VanDerWaalsContact O-CA 3.28Å; I89-V119 WeakPolarHBondContact O-CA 3.33Å; I89-F120 PolarHBondContact O-N 2.94Å; I89-N183 CarbonylContact C-O 3.52Å; I89-N183 WeakPolarHBondContact CA-O 3.3Å; I89-N183 HydrophobicContact CB-CB 4.37Å; I89-N183 HydrophobicContact CG1-CB 3.85Å; I89-V392 HydrophobicContact CD1-CG1 4.13Å; I89-L395 HydrophobicContact CG2-CD1 3.88Å; I89-L396 HydrophobicContact CD1-CD2 4.31Å
90	A	97.7	Very high	87.4	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	142.1	163.1	0	0	0	0	0	110.6	F120 V122 L176 I181 N183 L184 C185	A90-F120 CarbonylContact C-O 3.52Å; A90-F120 WeakPolarHBondContact CA-O 3.27Å; A90-V122 HydrophobicContact CB-CG2 3.87Å; A90-L176 HydrophobicContact CB-CD2 4.31Å; A90-I181 HydrophobicContact CB-CD1 4.43Å; A90-I181 HydrophobicContact CB-CG2 3.7Å; A90-N183 PolarHBondContact N-O 3.42Å; A90-L184 HydrophobicContact CB-CD1 3.66Å; A90-C185 PolarHBondContact O-N 3Å
91	V	97.8	Very high	89.4	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.8	168.6	64.1	0	0	0	0	110.2	V105 V108 V109 F120 F121 V122 C185 I187	V91-V105 HydrophobicContact CG1-CG1 4.28Å; V91-V105 HydrophobicContact CG2-CG2 4.23Å; V91-V108 HydrophobicContact CB-CG1 4Å; V91-V108 HydrophobicContact CG2-CB 4.39Å; V91-V108 HydrophobicContact CG2-CG1 4.22Å; V91-V109 HydrophobicContact CG1-CG2 4.31Å; V91-F120 PolarHBondContact N-O 3.35Å; V91-F121 HydrophobicContact CG1-CD1 4.07Å; V91-V122 PolarHBondContact O-N 2.75Å; V91-C185 WeakPolarHBondContact CA-O 3.43Å; V91-C185 HydrophobicContact CB-CB 4.31Å; V91-C185 HydrophobicContact CG2-CB 4.16Å; V91-I187 HydrophobicContact CG2-CD1 3.71Å; V91-I187 HydrophobicContact CG2-CG1 4.23Å
92	L	96.9	Very high	91.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	147.4	178.4	80	75.8	0	0	0	111.3	V122 Y126 L129 L184 C185 V186 I187	L92-V122 HydrophobicContact CB-CB 3.74Å; L92-V122 HydrophobicContact CB-CG1 4.3Å; L92-V122 HydrophobicContact CB-CG2 4.33Å; L92-Y126 HydrophobicContact CD2-CD1 4.28Å; L92-Y126 HydrophobicContact CD2-CE1 4.17Å; L92-L129 HydrophobicContact CD2-CD2 4.38Å; L92-L184 HydrophobicContact CD2-CD1 4.15Å; L92-C185 PolarHBondContact N-O 2.88Å; L92-V186 HydrophobicContact CD1-CG1 3.93Å; L92-V186 HydrophobicContact CD1-CG2 4.46Å; L92-V186 HydrophobicContact CD2-CG2 4.47Å; L92-V186 HydrophobicContact CG-CG2 4.26Å; L92-I187 PolarHBondContact O-N 3.38Å
93	T	96.4	Very high	92.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.7	166.6	41.7	0	0	0	0	109.9	M101 V105 G125 T153 I155 G156 I187	T93-M101 HydrophobicContact CG2-CB 4.08Å; T93-M101 HydrophobicContact CG2-CG 4.35Å; T93-M101 HydrophobicContact CG2-SD 3.98Å; T93-V105 HydrophobicContact CG2-CG2 4.09Å; T93-G125 WeakPolarHBondContact O-CA 3.35Å; T93-T153 WeakPolarHBondContact CG2-OG1 3.42Å; T93-T153 WeakPolarHBondContact OG1-CB 3.23Å; T93-T153 WeakPolarHBondContact OG1-CG2 3.42Å; T93-T153 PolarHBondContact OG1-OG1 3.44Å; T93-I155 HydrophobicContact CG2-CD1 4.41Å; T93-I155 HydrophobicContact CG2-CG1 4.47Å; T93-I155 WeakPolarHBondContact OG1-CG1 3.47Å; T93-G156 PolarHBondContact OG1-O 3.27Å; T93-I187 CarbonylContact C-O 3.6Å; T93-I187 VanDerWaalsContact CA-O 3.27Å; T93-I187 WeakPolarHBondContact CA-O 3.47Å; T93-I187 HydrophobicContact CG2-CB 3.9Å; T93-I187 HydrophobicContact CG2-CD1 4.49Å; T93-I187 HydrophobicContact CG2-CG2 4.2Å
94	S	93.4	Very high	93.1	Very high	8 Å²	8	19.9 Å²	19.9	6%	0.056	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	147.5	-176.5	175.6	0	0	0	0	112.2	Y126 S157 I187 G188 S192	S94-Y126 WeakPolarHBondContact OG-CD2 3.32Å; S94-S157 WeakPolarHBondContact CA-OG 3.19Å; S94-I187 PolarHBondContact N-O 2.98Å; S94-G188 WeakPolarHBondContact O-CA 3.49Å; S94-S192 VanDerWaalsContact C-OG 3.31Å; S94-S192 VanDerWaalsContact CB-OG 3.31Å; S94-S192 WeakPolarHBondContact CB-OG 3.46Å; S94-S192 PolarHBondContact O-OG 3.45Å; S94-S192 PolarHBondContact OG-OG 3.02Å
95	G	89.6	Confident	93.9	Very high	38 Å²	38	19.9 Å²	19.9	39%	0.392	14%	0.142	S	C	.	.	S	Bend	trans	91.6	-159.4	-174.9	0	0	0	0	0	112.6	S157	G95-S157 PolarHBondContact N-OG 3.03Å; G95-S157 VanDerWaalsContact N-OG 3.12Å; G95-S157 PolarHBondContact O-OG 2.82Å
96	G	89.1	Confident	94.4	Very high	42 Å²	42	15 Å²	15	43%	0.433	12%	0.116	S	C	.	.	S	Bend	trans	-69.8	138.6	173.3	0	0	0	0	0	110.5	M101	G96-M101 WeakPolarHBondContact O-CE 3.45Å
97	D	92.1	Very high	94.9	Very high	59 Å²	59	10.9 Å²	10.9	32%	0.316	7%	0.074	S	C	.	.			trans	-69	155	179.1	68.6	-48.2	0	0	0	112.1	G152 T153 R372	D97-G152 VanDerWaalsContact OD2-CA 3.27Å; D97-G152 WeakPolarHBondContact OD2-CA 3.26Å; D97-T153 HydrophobicContact CB-CG2 4.49Å; D97-R372 PolarHBondContact O-NH1 2.88Å
98	A	93.7	Very high	95.2	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	6%	0.061	C	C	.	.			trans	-146.1	139.2	178.2	0	0	0	0	0	109.5	G100 M101 I236 I247	A98-G100 PolarHBondContact O-N 3.23Å; A98-M101 HydrophobicContact CB-CE 4.06Å; A98-M101 HydrophobicContact CB-CG 4.5Å; A98-M101 VanDerWaalsContact O-CG 3.31Å; A98-M101 WeakPolarHBondContact O-CG 3.48Å; A98-M101 PolarHBondContact O-N 3.37Å; A98-I236 HydrophobicContact CB-CG2 4.04Å; A98-I247 VanDerWaalsContact CB-O 3.3Å; A98-I247 WeakPolarHBondContact CB-O 3.24Å
99	Q	94.8	Very high	95.3	Very high	1 Å²	1	7.7 Å²	7.7	1%	0.005	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	127.9	-176.4	-48.2	88.7	-36.5	0	0	109.6	G248 Q371 R372 G373 P376	Q99-G248 WeakPolarHBondContact O-CA 3.28Å; Q99-G248 PolarHBondContact O-N 3.24Å; Q99-Q371 PolarHBondContact NE2-O 3.13Å; Q99-R372 WeakPolarHBondContact CG-O 3.47Å; Q99-R372 PolarHBondContact NE2-O 3.25Å; Q99-R372 VanDerWaalsContact NE2-O 3.17Å; Q99-G373 PolarHBondContact NE2-O 3.2Å; Q99-P376 HydrophobicContact CB-CB 3.87Å
100	G	94	Very high	95.1	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	107	-12.1	-177.2	0	0	0	0	0	114.4	A98 N102 A103 A104	A98-G100 PolarHBondContact O-N 3.23Å; G100-N102 PolarHBondContact O-N 3.14Å; G100-A103 WeakPolarHBondContact O-CB 3.46Å; G100-A103 PolarHBondContact O-N 2.79Å; G100-A104 PolarHBondContact O-N 2.83Å
101	M	96.1	Very high	95	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.01	6%	0.064	C	C	.	.	H	α-helix	trans	-50.6	-42.3	167.3	-75.1	-179.4	170.8	0	0	111.6	T93 G96 A98 A103 A104 V105 I187 G234	T93-M101 HydrophobicContact CG2-CB 4.08Å; T93-M101 HydrophobicContact CG2-CG 4.35Å; T93-M101 HydrophobicContact CG2-SD 3.98Å; G96-M101 WeakPolarHBondContact O-CE 3.45Å; A98-M101 HydrophobicContact CB-CE 4.06Å; A98-M101 HydrophobicContact CB-CG 4.5Å; A98-M101 VanDerWaalsContact O-CG 3.31Å; A98-M101 WeakPolarHBondContact O-CG 3.48Å; A98-M101 PolarHBondContact O-N 3.37Å; M101-A103 VanDerWaalsContact C-N 3.25Å; M101-A103 PolarHBondContact O-N 3.1Å; M101-A104 WeakPolarHBondContact O-CB 3.41Å; M101-A104 PolarHBondContact O-N 2.87Å; M101-A104 VanDerWaalsContact O-N 3.13Å; M101-V105 WeakPolarHBondContact O-CG2 3.22Å; M101-V105 PolarHBondContact O-N 3.16Å; M101-I187 HydrophobicContact CB-CG2 4.4Å; M101-I187 HydrophobicContact CG-CG2 3.97Å; M101-G234 WeakPolarHBondContact CE-O 3.32Å
102	N	96.6	Very high	94.8	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-58.8	-30.1	175.1	-68.5	-35.4	0	0	0	114.4	G100 R106 M147 L150 G151 G152 T153 V154	G100-N102 PolarHBondContact O-N 3.14Å; N102-R106 VanDerWaalsContact O-CB 3.28Å; N102-R106 WeakPolarHBondContact O-CB 3.3Å; N102-R106 PolarHBondContact O-N 2.85Å; N102-M147 HydrophobicContact CB-CB 4.26Å; N102-M147 VanDerWaalsContact CB-O 3.29Å; N102-M147 WeakPolarHBondContact CB-O 3.32Å; N102-L150 PolarHBondContact ND2-O 3.04Å; N102-G151 PolarHBondContact ND2-O 3Å; N102-G152 PolarHBondContact ND2-O 3.19Å; N102-T153 WeakPolarHBondContact OD1-CA 3.33Å; N102-V154 WeakPolarHBondContact OD1-CG1 3.17Å; N102-V154 VanDerWaalsContact OD1-CG2 3.24Å; N102-V154 WeakPolarHBondContact OD1-CG2 3.17Å; N102-V154 PolarHBondContact OD1-N 3Å
103	A	95.9	Very high	94.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-73.3	-39.6	176.2	0	0	0	0	0	111.5	G100 M101 A107 L148	G100-A103 WeakPolarHBondContact O-CB 3.46Å; G100-A103 PolarHBondContact O-N 2.79Å; M101-A103 VanDerWaalsContact C-N 3.25Å; M101-A103 PolarHBondContact O-N 3.1Å; A103-A107 WeakPolarHBondContact O-CB 3.38Å; A103-A107 PolarHBondContact O-N 3.14Å; A103-L148 HydrophobicContact CB-CD2 3.65Å
104	A	96.4	Very high	94.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65.4	-48.7	172.7	0	0	0	0	0	112.1	G100 M101 R106 A107 V108 I187 L232 I247 G384	G100-A104 PolarHBondContact O-N 2.83Å; M101-A104 WeakPolarHBondContact O-CB 3.41Å; M101-A104 PolarHBondContact O-N 2.87Å; M101-A104 VanDerWaalsContact O-N 3.13Å; A104-R106 VanDerWaalsContact C-N 3.31Å; A104-R106 PolarHBondContact O-N 3.04Å; A104-A107 PolarHBondContact O-N 2.94Å; A104-A107 VanDerWaalsContact O-N 3.11Å; A104-V108 WeakPolarHBondContact O-CG2 3.47Å; A104-V108 PolarHBondContact O-N 2.87Å; A104-I187 HydrophobicContact CB-CD1 3.85Å; A104-L232 HydrophobicContact CB-CD1 3.82Å; A104-I247 HydrophobicContact CB-CD1 4.24Å; A104-G384 VanDerWaalsContact CA-O 3.27Å; A104-G384 WeakPolarHBondContact CA-O 3.41Å
105	V	97.3	Very high	94.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-53.8	-47.8	173.7	172.9	0	0	0	0	111	V91 T93 M101 A107 V108 V109 F121 I155 I187	V91-V105 HydrophobicContact CG1-CG1 4.28Å; V91-V105 HydrophobicContact CG2-CG2 4.23Å; T93-V105 HydrophobicContact CG2-CG2 4.09Å; M101-V105 WeakPolarHBondContact O-CG2 3.22Å; M101-V105 PolarHBondContact O-N 3.16Å; V105-A107 VanDerWaalsContact C-N 3.35Å; V105-A107 PolarHBondContact O-N 3.3Å; V105-V108 PolarHBondContact O-N 2.86Å; V105-V109 WeakPolarHBondContact O-CG2 3.42Å; V105-V109 PolarHBondContact O-N 3.13Å; V105-F121 HydrophobicContact CG1-CD1 4.15Å; V105-F121 HydrophobicContact CG1-CE1 3.72Å; V105-I155 HydrophobicContact CG2-CD1 4.16Å; V105-I187 HydrophobicContact CG2-CD1 3.66Å
106	R	96.7	Very high	94.1	Very high	12 Å²	12	12.7 Å²	12.7	5%	0.045	8%	0.082	C	C	.	.	H	α-helix	trans	-59.4	-43.5	177.3	173.7	-176.7	169.4	-85.8	-1	112.5	N102 A104 R110 V144 L823	N102-R106 VanDerWaalsContact O-CB 3.28Å; N102-R106 WeakPolarHBondContact O-CB 3.3Å; N102-R106 PolarHBondContact O-N 2.85Å; A104-R106 VanDerWaalsContact C-N 3.31Å; A104-R106 PolarHBondContact O-N 3.04Å; R106-R110 WeakPolarHBondContact O-CB 3.48Å; R106-R110 WeakPolarHBondContact O-CG 3.3Å; R106-R110 PolarHBondContact O-N 3.1Å; R106-V144 HydrophobicContact CB-CB 4.06Å; R106-V144 HydrophobicContact CB-CG2 4.4Å; R106-V144 HydrophobicContact CG-CB 4Å; R106-V144 HydrophobicContact CG-CG2 3.9Å; R106-L823 PolarHBondContact NH2-O 3.09Å; R106-L823 VanDerWaalsContact NH2-O 3.08Å
107	A	95.8	Very high	94.4	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-67.1	-44.7	-179.7	0	0	0	0	0	111.5	A103 A104 V105 V109 R110 V111 S385 V389 L823	A103-A107 WeakPolarHBondContact O-CB 3.38Å; A103-A107 PolarHBondContact O-N 3.14Å; A104-A107 PolarHBondContact O-N 2.94Å; A104-A107 VanDerWaalsContact O-N 3.11Å; V105-A107 VanDerWaalsContact C-N 3.35Å; V105-A107 PolarHBondContact O-N 3.3Å; A107-V109 PolarHBondContact O-N 3.33Å; A107-R110 PolarHBondContact O-N 3.28Å; A107-V111 WeakPolarHBondContact O-CB 3.31Å; A107-V111 WeakPolarHBondContact O-CG2 3.48Å; A107-V111 PolarHBondContact O-N 3.22Å; A107-S385 VanDerWaalsContact CB-O 3.32Å; A107-S385 WeakPolarHBondContact CB-O 3.35Å; A107-V389 HydrophobicContact CB-CG2 4.42Å; A107-L823 HydrophobicContact CB-CD2 4.33Å
108	V	96.6	Very high	94.6	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-57.8	-46.6	176.3	174.2	0	0	0	0	111.3	I89 V91 A104 V105 G112 C185 V392	I89-V108 HydrophobicContact CG2-CG1 4.18Å; V91-V108 HydrophobicContact CB-CG1 4Å; V91-V108 HydrophobicContact CG2-CB 4.39Å; V91-V108 HydrophobicContact CG2-CG1 4.22Å; A104-V108 WeakPolarHBondContact O-CG2 3.47Å; A104-V108 PolarHBondContact O-N 2.87Å; V105-V108 PolarHBondContact O-N 2.86Å; V108-G112 PolarHBondContact O-N 3.01Å; V108-C185 HydrophobicContact CG1-CB 4.25Å; V108-V392 HydrophobicContact CB-CG2 4.2Å; V108-V392 HydrophobicContact CG1-CG2 3.96Å; V108-V392 HydrophobicContact CG2-CG2 4.4Å; V108-V392 WeakPolarHBondContact O-CG2 3.24Å
109	V	96.7	Very high	94.7	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.7	-48.1	176.8	172.9	0	0	0	0	112.1	V91 V105 A107 I113 V119 F121 A139 V144	V91-V109 HydrophobicContact CG1-CG2 4.31Å; V105-V109 WeakPolarHBondContact O-CG2 3.42Å; V105-V109 PolarHBondContact O-N 3.13Å; A107-V109 PolarHBondContact O-N 3.33Å; V109-I113 HydrophobicContact CG1-CD1 3.68Å; V109-I113 WeakPolarHBondContact O-CB 3.43Å; V109-I113 VanDerWaalsContact O-CG1 3.24Å; V109-I113 WeakPolarHBondContact O-CG1 3.47Å; V109-I113 PolarHBondContact O-N 3.26Å; V109-V119 HydrophobicContact CB-CG1 4.43Å; V109-V119 HydrophobicContact CG2-CG1 3.86Å; V109-F121 HydrophobicContact CG2-CD1 4.39Å; V109-F121 HydrophobicContact CG2-CE1 3.66Å; V109-F121 HydrophobicContact CG2-CZ 4.11Å; V109-A139 HydrophobicContact CG1-CB 3.76Å; V109-A139 HydrophobicContact CG2-CB 3.89Å; V109-V144 HydrophobicContact CB-CG1 3.73Å; V109-V144 HydrophobicContact CB-CG2 4.23Å; V109-V144 HydrophobicContact CG1-CG1 3.82Å; V109-V144 HydrophobicContact CG1-CG2 3.99Å; V109-V144 HydrophobicContact CG2-CG1 3.78Å
110	R	94.8	Very high	94.9	Very high	21 Å²	21	14.2 Å²	14.2	8%	0.079	7%	0.071	C	C	.	.	H	α-helix	trans	-67.9	-43.6	-176.2	-75.6	-172.8	174.6	-146.2	-13.3	112.5	R106 A107 F114 W141 V144 L823	R106-R110 WeakPolarHBondContact O-CB 3.48Å; R106-R110 WeakPolarHBondContact O-CG 3.3Å; R106-R110 PolarHBondContact O-N 3.1Å; A107-R110 PolarHBondContact O-N 3.28Å; R110-F114 VanDerWaalsContact O-CB 3.24Å; R110-F114 WeakPolarHBondContact O-CB 3.49Å; R110-F114 PolarHBondContact O-N 2.93Å; R110-W141 HydrophobicContact CB-CE3 4.23Å; R110-W141 HydrophobicContact CB-CH2 3.64Å; R110-W141 HydrophobicContact CB-CZ2 4.42Å; R110-W141 HydrophobicContact CB-CZ3 3.56Å; R110-W141 HydrophobicContact CG-CD2 4.21Å; R110-W141 HydrophobicContact CG-CE3 3.91Å; R110-W141 HydrophobicContact CG-CH2 3.64Å; R110-W141 HydrophobicContact CG-CZ2 3.95Å; R110-W141 HydrophobicContact CG-CZ3 3.65Å; R110-W141 PolarHBondContact NH2-O 3.24Å; R110-W141 VanDerWaalsContact NH2-O 3.14Å; R110-W141 WeakPolarHBondContact O-CZ3 3.25Å; R110-V144 HydrophobicContact CG-CG2 3.81Å; R110-L823 HydrophobicContact CB-CD2 3.69Å; R110-L823 WeakPolarHBondContact CD-O 3.38Å; R110-L823 PolarHBondContact NH1-O 3.01Å
111	V	93.8	Very high	95.1	Very high	2 Å²	2	15 Å²	15	1%	0.012	7%	0.074	C	C	.	.	H	α-helix	trans	-72	-39.6	-179.9	-178.3	0	0	0	0	110.8	A107 I113 F114 T115 V389 V392 M393 I822 L823	A107-V111 WeakPolarHBondContact O-CB 3.31Å; A107-V111 WeakPolarHBondContact O-CG2 3.48Å; A107-V111 PolarHBondContact O-N 3.22Å; V111-I113 PolarHBondContact O-N 2.7Å; V111-F114 WeakPolarHBondContact O-CB 3.26Å; V111-F114 PolarHBondContact O-N 3.37Å; V111-F114 VanDerWaalsContact O-N 3.17Å; V111-T115 HydrophobicContact CG1-CG2 4.49Å; V111-T115 WeakPolarHBondContact O-CG2 3.49Å; V111-T115 PolarHBondContact O-N 3.4Å; V111-T115 PolarHBondContact O-OG1 3.4Å; V111-V389 HydrophobicContact CG1-CG1 4.45Å; V111-V389 HydrophobicContact CG2-CB 4.19Å; V111-V389 HydrophobicContact CG2-CG1 4.24Å; V111-V389 HydrophobicContact CG2-CG2 3.67Å; V111-V392 HydrophobicContact CB-CB 4.24Å; V111-V392 HydrophobicContact CB-CG1 4.32Å; V111-V392 HydrophobicContact CB-CG2 4.2Å; V111-V392 HydrophobicContact CG1-CB 3.91Å; V111-V392 HydrophobicContact CG1-CG1 3.8Å; V111-V392 HydrophobicContact CG1-CG2 4.43Å; V111-M393 HydrophobicContact CG1-CE 3.37Å; V111-I822 HydrophobicContact CG2-CG2 4.39Å; V111-L823 HydrophobicContact CG2-CD2 3.98Å
112	G	93.6	Very high	95.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.2	-44.3	175.1	0	0	0	0	0	113	V108 F114 T115 G116 A117	V108-G112 PolarHBondContact O-N 3.01Å; G112-F114 VanDerWaalsContact C-N 3.32Å; G112-F114 PolarHBondContact O-N 3.35Å; G112-T115 PolarHBondContact O-N 3.07Å; G112-T115 PolarHBondContact O-OG1 2.95Å; G112-T115 VanDerWaalsContact O-OG1 3.13Å; G112-G116 PolarHBondContact O-N 2.88Å; G112-A117 WeakPolarHBondContact O-CA 3.22Å; G112-A117 WeakPolarHBondContact O-CB 3.49Å; G112-A117 PolarHBondContact O-N 3.39Å
113	I	93.6	Very high	95.1	Very high	54 Å²	54	17 Å²	17	28%	0.277	8%	0.084	S	C	.	.	H	α-helix	trans	-64.1	-38.6	174.1	-67.7	170.2	0	0	0	111.1	V109 V111 T115 G116 V119 W141	V109-I113 HydrophobicContact CG1-CD1 3.68Å; V109-I113 WeakPolarHBondContact O-CB 3.43Å; V109-I113 VanDerWaalsContact O-CG1 3.24Å; V109-I113 WeakPolarHBondContact O-CG1 3.47Å; V109-I113 PolarHBondContact O-N 3.26Å; V111-I113 PolarHBondContact O-N 2.7Å; I113-T115 PolarHBondContact O-N 3.35Å; I113-G116 PolarHBondContact O-N 2.86Å; I113-V119 HydrophobicContact CG1-CG2 4.2Å; I113-W141 HydrophobicContact CG2-CE3 4.29Å
114	F	90.3	Very high	95.1	Very high	36 Å²	36	20.9 Å²	20.9	16%	0.158	10%	0.102	C	C	.	.	H	α-helix	trans	-66	-33.4	179.9	175.6	-91.6	0	0	0	113.3	K81 R110 V111 G112 G116 I822 I828	K81-F114 HydrophobicContact CG-CE1 4.25Å; K81-F114 HydrophobicContact CG-CZ 4.15Å; R110-F114 VanDerWaalsContact O-CB 3.24Å; R110-F114 WeakPolarHBondContact O-CB 3.49Å; R110-F114 PolarHBondContact O-N 2.93Å; V111-F114 WeakPolarHBondContact O-CB 3.26Å; V111-F114 PolarHBondContact O-N 3.37Å; V111-F114 VanDerWaalsContact O-N 3.17Å; G112-F114 VanDerWaalsContact C-N 3.32Å; G112-F114 PolarHBondContact O-N 3.35Å; F114-G116 VanDerWaalsContact C-N 3.26Å; F114-G116 PolarHBondContact O-N 3.05Å; F114-I822 HydrophobicContact CB-CG2 4.27Å; F114-I822 HydrophobicContact CD1-CG2 3.91Å; F114-I822 HydrophobicContact CD2-CG2 4.05Å; F114-I822 HydrophobicContact CE1-CD1 4.13Å; F114-I822 HydrophobicContact CE1-CG1 4.05Å; F114-I822 HydrophobicContact CE1-CG2 4.26Å; F114-I822 HydrophobicContact CE2-CG1 4.11Å; F114-I822 HydrophobicContact CE2-CG2 4.37Å; F114-I822 HydrophobicContact CG-CG2 3.8Å; F114-I822 HydrophobicContact CZ-CD1 4.28Å; F114-I822 HydrophobicContact CZ-CG1 3.81Å; F114-I822 HydrophobicContact CZ-CG2 4.47Å; F114-I828 WeakPolarHBondContact CZ-O 3.32Å
115	T	89.5	Confident	95	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	5.6	174.8	60.4	0	0	0	0	113.7	A80 K81 G84 V111 G112 I113 M393 L396	A80-T115 WeakPolarHBondContact O-CG2 3.15Å; K81-T115 CarbonylContact O-C 3.6Å; K81-T115 VanDerWaalsContact O-C 3.3Å; K81-T115 VanDerWaalsContact O-O 3.13Å; G84-T115 WeakPolarHBondContact CA-O 3.41Å; G84-T115 PolarHBondContact N-O 3.44Å; V111-T115 HydrophobicContact CG1-CG2 4.49Å; V111-T115 WeakPolarHBondContact O-CG2 3.49Å; V111-T115 PolarHBondContact O-N 3.4Å; V111-T115 PolarHBondContact O-OG1 3.4Å; G112-T115 PolarHBondContact O-N 3.07Å; G112-T115 PolarHBondContact O-OG1 2.95Å; G112-T115 VanDerWaalsContact O-OG1 3.13Å; I113-T115 PolarHBondContact O-N 3.35Å; T115-M393 HydrophobicContact CG2-CE 3.97Å; T115-L396 HydrophobicContact CG2-CD1 3.92Å; T115-L396 WeakPolarHBondContact OG1-CD1 3.45Å
116	G	89.8	Confident	94.9	Very high	36 Å²	36	21.5 Å²	21.5	37%	0.371	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	6.2	178.9	0	0	0	0	0	115.5	G84 G112 I113 F114	G84-G116 CarbonylContact O-C 3.52Å; G112-G116 PolarHBondContact O-N 2.88Å; I113-G116 PolarHBondContact O-N 2.86Å; F114-G116 VanDerWaalsContact C-N 3.26Å; F114-G116 PolarHBondContact O-N 3.05Å
117	A	93.6	Very high	94.9	Very high	5 Å²	5	22.8 Å²	22.8	4%	0.041	11%	0.111	C	C	.	.			trans	-80.9	147.6	176	0	0	0	0	0	112.4	G84 K87 I89 G112 L396	G84-A117 VanDerWaalsContact O-CA 3.24Å; G84-A117 WeakPolarHBondContact O-CA 3.42Å; G84-A117 PolarHBondContact O-N 3.49Å; K87-A117 WeakPolarHBondContact O-CA 3.5Å; I89-A117 HydrophobicContact CD1-CB 4.05Å; I89-A117 HydrophobicContact CG1-CB 4.47Å; G112-A117 WeakPolarHBondContact O-CA 3.22Å; G112-A117 WeakPolarHBondContact O-CB 3.49Å; G112-A117 PolarHBondContact O-N 3.39Å; A117-L396 HydrophobicContact CB-CD2 4.49Å
118	R	96.3	Very high	94.8	Very high	123 Å²	123	22.8 Å²	22.8	46%	0.464	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	125.6	169.1	-65.4	176	66.2	-156	5	109.2	K87 A88 I89 F120 E138	K87-R118 PolarHBondContact O-N 3.15Å; A88-R118 CarbonylContact C-O 3.56Å; A88-R118 WeakPolarHBondContact CA-O 3.33Å; A88-R118 HydrophobicContact CB-CB 4.21Å; I89-R118 PolarHBondContact N-O 3.49Å; R118-F120 HydrophobicContact CB-CE2 4.05Å; R118-E138 IonicContact CZ-OE1 2.8Å; R118-E138 IonicContact CZ-OE2 2.8Å; R118-E138 IonicContact NE-OE1 2.73Å; R118-E138 PolarHBondContact NE-OE1 2.94Å; R118-E138 IonicContact NE-OE2 3.2Å; R118-E138 IonicContact NH2-OE1 2.69Å; R118-E138 PolarHBondContact NH2-OE1 3.31Å; R118-E138 IonicContact NH2-OE2 2.65Å; R118-E138 PolarHBondContact NH2-OE2 3.44Å
119	V	97.4	Very high	94.8	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.6	-179.7	-167	0	0	0	0	110.5	I89 V109 I113 A139	I89-V119 HydrophobicContact CB-CG1 4.45Å; I89-V119 HydrophobicContact CG2-CG1 4.49Å; I89-V119 CarbonylContact O-C 3.58Å; I89-V119 VanDerWaalsContact O-CA 3.28Å; I89-V119 WeakPolarHBondContact O-CA 3.33Å; V109-V119 HydrophobicContact CB-CG1 4.43Å; V109-V119 HydrophobicContact CG2-CG1 3.86Å; I113-V119 HydrophobicContact CG1-CG2 4.2Å; V119-A139 WeakPolarHBondContact O-CB 3.09Å; V119-A139 PolarHBondContact O-N 3.17Å
120	F	98	Very high	94.7	Very high	5 Å²	5	23 Å²	23	2%	0.022	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.7	179.7	-65.8	-96.9	0	0	0	111	A88 I89 A90 V91 R118 I136 K137 E138 I181	A88-F120 HydrophobicContact CB-CD2 4.43Å; A88-F120 HydrophobicContact CB-CE2 3.98Å; I89-F120 PolarHBondContact O-N 2.94Å; A90-F120 CarbonylContact C-O 3.52Å; A90-F120 WeakPolarHBondContact CA-O 3.27Å; V91-F120 PolarHBondContact N-O 3.35Å; R118-F120 HydrophobicContact CB-CE2 4.05Å; F120-I136 HydrophobicContact CB-CG2 4.05Å; F120-I136 HydrophobicContact CD1-CG2 4.1Å; F120-I136 HydrophobicContact CG-CG2 4.37Å; F120-K137 CarbonylContact C-O 3.57Å; F120-K137 VanDerWaalsContact CA-O 3.24Å; F120-K137 WeakPolarHBondContact CA-O 3.38Å; F120-E138 HydrophobicContact CD1-CB 3.94Å; F120-E138 HydrophobicContact CD1-CG 4.5Å; F120-E138 HydrophobicContact CE1-CB 3.73Å; F120-E138 HydrophobicContact CE1-CG 4.16Å; F120-E138 HydrophobicContact CZ-CB 4.37Å; F120-E138 HydrophobicContact CZ-CG 4.31Å; F120-I181 HydrophobicContact CB-CD1 4.13Å; F120-I181 HydrophobicContact CD1-CD1 4.29Å; F120-I181 HydrophobicContact CD2-CD1 3.66Å; F120-I181 HydrophobicContact CD2-CG1 3.82Å; F120-I181 HydrophobicContact CE2-CD1 4.1Å; F120-I181 HydrophobicContact CE2-CG1 3.96Å; F120-I181 HydrophobicContact CG-CD1 3.77Å; F120-I181 HydrophobicContact CG-CG1 4.44Å
121	F	97.6	Very high	94.7	Very high	16 Å²	16	25.7 Å²	25.7	7%	0.07	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	141.9	159.5	-58.1	-59.2	0	0	0	109.8	V91 V105 V109 I136 K137 A139 S143 V144 I155	V91-F121 HydrophobicContact CG1-CD1 4.07Å; V105-F121 HydrophobicContact CG1-CD1 4.15Å; V105-F121 HydrophobicContact CG1-CE1 3.72Å; V109-F121 HydrophobicContact CG2-CD1 4.39Å; V109-F121 HydrophobicContact CG2-CE1 3.66Å; V109-F121 HydrophobicContact CG2-CZ 4.11Å; F121-I136 CarbonylContact O-C 3.53Å; F121-I136 VanDerWaalsContact O-CA 3.31Å; F121-I136 WeakPolarHBondContact O-CA 3.42Å; F121-K137 PolarHBondContact N-O 3.1Å; F121-K137 PolarHBondContact O-N 3.23Å; F121-A139 HydrophobicContact CD1-CB 4.44Å; F121-A139 HydrophobicContact CD2-CB 3.84Å; F121-A139 HydrophobicContact CE1-CB 4.13Å; F121-A139 HydrophobicContact CE2-CB 3.46Å; F121-A139 VanDerWaalsContact CE2-CB 3.46Å; F121-A139 HydrophobicContact CG-CB 4.33Å; F121-A139 HydrophobicContact CZ-CB 3.63Å; F121-S143 WeakPolarHBondContact CE2-OG 3.36Å; F121-S143 WeakPolarHBondContact CZ-OG 3.48Å; F121-V144 HydrophobicContact CE1-CG1 3.87Å; F121-V144 HydrophobicContact CZ-CG1 3.58Å; F121-I155 HydrophobicContact CB-CG2 4.06Å; F121-I155 HydrophobicContact CD1-CG2 3.62Å; F121-I155 HydrophobicContact CE1-CG2 4.19Å; F121-I155 HydrophobicContact CG-CG2 3.91Å
122	V	97.5	Very high	94.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	112.3	161.1	-175.6	0	0	0	0	107.3	A90 V91 L92 G125 L129 N135 I136	A90-V122 HydrophobicContact CB-CG2 3.87Å; V91-V122 PolarHBondContact O-N 2.75Å; L92-V122 HydrophobicContact CB-CB 3.74Å; L92-V122 HydrophobicContact CB-CG1 4.3Å; L92-V122 HydrophobicContact CB-CG2 4.33Å; V122-G125 WeakPolarHBondContact CG1-O 3.42Å; V122-L129 HydrophobicContact CG1-CB 3.89Å; V122-L129 HydrophobicContact CG1-CD1 4.08Å; V122-L129 HydrophobicContact CG2-CD1 4.07Å; V122-N135 CarbonylContact C-O 3.58Å; V122-N135 WeakPolarHBondContact CA-O 3.21Å; V122-I136 HydrophobicContact CG1-CG1 4.36Å; V122-I136 HydrophobicContact CG2-CG1 4.36Å; V122-I136 HydrophobicContact CG2-CG2 4.45Å
123	H	96.2	Very high	94.7	Very high	45 Å²	45	28 Å²	28	21%	0.208	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	151.9	179.8	-71.1	-78.5	0	0	0	111.6	G125 G128 N135 I155	H123-G125 PolarHBondContact O-N 3.1Å; H123-G128 WeakPolarHBondContact O-CA 3.47Å; H123-G128 PolarHBondContact O-N 3.19Å; H123-N135 HydrophobicContact CB-CB 4.38Å; H123-N135 PolarHBondContact CD2-O 3.33Å; H123-N135 PolarHBondContact N-O 3.02Å; H123-I155 CarbonylContact C-O 3.54Å; H123-I155 WeakPolarHBondContact CA-O 3.47Å; H123-I155 PolarHBondContact ND1-O 2.65Å
124	E	95.2	Very high	94.5	Very high	81 Å²	81	31.2 Å²	31.2	38%	0.379	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	25.3	177.5	-53.7	-46.3	138.2	0	0	115.1	Q127 I155 S157 A158	E124-Q127 PolarHBondContact O-N 2.69Å; E124-I155 PolarHBondContact N-O 2.98Å; E124-S157 PolarHBondContact OE2-N 2.93Å; E124-S157 VanDerWaalsContact OE2-N 3.14Å; E124-A158 HydrophobicContact CB-CB 3.88Å; E124-A158 WeakPolarHBondContact O-CB 3.16Å; E124-A158 PolarHBondContact O-N 3.43Å
125	G	94.8	Very high	94.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	-133.1	176.9	0	0	0	0	0	113.2	T93 V122 H123 Q127 G128 L129	T93-G125 WeakPolarHBondContact O-CA 3.35Å; V122-G125 WeakPolarHBondContact CG1-O 3.42Å; H123-G125 PolarHBondContact O-N 3.1Å; G125-Q127 PolarHBondContact O-N 3.19Å; G125-G128 PolarHBondContact O-N 3.36Å; G125-L129 PolarHBondContact O-N 3.17Å
126	Y	95.9	Very high	95.1	Very high	14 Å²	14	31.8 Å²	31.8	6%	0.055	18%	0.175	C	C	.	.	H	α-helix	trans	-62.3	-24.7	179.7	-73.5	-65.9	0	0	0	113.8	L92 S94 L129 V130 F163 S192 A196	L92-Y126 HydrophobicContact CD2-CD1 4.28Å; L92-Y126 HydrophobicContact CD2-CE1 4.17Å; S94-Y126 WeakPolarHBondContact OG-CD2 3.32Å; Y126-L129 HydrophobicContact CD1-CD2 3.99Å; Y126-L129 HydrophobicContact CE1-CD2 4.34Å; Y126-L129 WeakPolarHBondContact O-CB 3.47Å; Y126-L129 PolarHBondContact O-N 2.9Å; Y126-V130 VanDerWaalsContact O-CG2 3.3Å; Y126-V130 WeakPolarHBondContact O-CG2 3.38Å; Y126-V130 PolarHBondContact O-N 3.07Å; Y126-V130 VanDerWaalsContact O-N 3.09Å; Y126-F163 AromaticContact CD1-CD1 3.63Å; Y126-F163 HydrophobicContact CD1-CD1 3.63Å; Y126-F163 AromaticContact CD1-CD2 3.95Å; Y126-F163 HydrophobicContact CD1-CD2 3.95Å; Y126-F163 AromaticContact CD1-CE1 3.42Å; Y126-F163 HydrophobicContact CD1-CE1 3.42Å; Y126-F163 VanDerWaalsContact CD1-CE1 3.42Å; Y126-F163 AromaticContact CD1-CE2 3.75Å; Y126-F163 HydrophobicContact CD1-CE2 3.75Å; Y126-F163 AromaticContact CD1-CG 3.89Å; Y126-F163 HydrophobicContact CD1-CG 3.89Å; Y126-F163 AromaticContact CD1-CZ 3.47Å; Y126-F163 HydrophobicContact CD1-CZ 3.47Å; Y126-F163 VanDerWaalsContact CD1-CZ 3.47Å; Y126-F163 HydrophobicContact CD2-CD1 4.48Å; Y126-F163 HydrophobicContact CE1-CD1 4.03Å; Y126-F163 AromaticContact CE1-CE1 3.38Å; Y126-F163 HydrophobicContact CE1-CE1 3.38Å; Y126-F163 HydrophobicContact CE1-CE2 4.18Å; Y126-F163 AromaticContact CE1-CZ 3.46Å; Y126-F163 HydrophobicContact CE1-CZ 3.46Å; Y126-F163 VanDerWaalsContact CE1-CZ 3.46Å; Y126-F163 AromaticContact CG-CD1 3.9Å; Y126-F163 HydrophobicContact CG-CD1 3.9Å; Y126-F163 HydrophobicContact CG-CE1 4.12Å; Y126-F163 HydrophobicContact CG-CG 4.11Å; Y126-S192 PolarHBondContact OH-O 2.93Å; Y126-A196 WeakPolarHBondContact OH-CA 3.37Å; Y126-A196 WeakPolarHBondContact OH-CB 3.44Å; Y126-A196 PolarHBondContact OH-N 2.84Å
127	Q	95.3	Very high	95.5	Very high	39 Å²	39	34.3 Å²	34.3	18%	0.182	18%	0.175	C	C	.	.	H	α-helix	trans	-67.3	-48	179.1	-169.7	61.9	51	0	0	110.7	E124 G125 L129 V130 D131 A158 C160	E124-Q127 PolarHBondContact O-N 2.69Å; G125-Q127 PolarHBondContact O-N 3.19Å; Q127-L129 PolarHBondContact O-N 3.31Å; Q127-V130 WeakPolarHBondContact O-CB 3.43Å; Q127-V130 PolarHBondContact O-N 3.23Å; Q127-V130 VanDerWaalsContact O-N 3.1Å; Q127-D131 PolarHBondContact NE2-OD1 3.29Å; Q127-D131 WeakPolarHBondContact O-CB 3.5Å; Q127-D131 PolarHBondContact O-N 3.31Å; Q127-A158 HydrophobicContact CB-CB 4.02Å; Q127-C160 HydrophobicContact CB-CB 4.2Å; Q127-C160 PolarHBondContact OE1-SG 3.06Å
128	G	95.3	Very high	95.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67.3	-24.5	175.6	0	0	0	0	0	114.3	H123 G125 G132 N135	H123-G128 WeakPolarHBondContact O-CA 3.47Å; H123-G128 PolarHBondContact O-N 3.19Å; G125-G128 PolarHBondContact O-N 3.36Å; G128-G132 PolarHBondContact O-N 2.97Å; G128-N135 VanDerWaalsContact CA-CB 3.45Å
129	L	94.8	Very high	95.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.5	-43	170.4	-163.6	69.7	0	0	0	111.4	L92 V122 G125 Y126 Q127 I136 F163 A172 N175 L176 F199	L92-L129 HydrophobicContact CD2-CD2 4.38Å; V122-L129 HydrophobicContact CG1-CB 3.89Å; V122-L129 HydrophobicContact CG1-CD1 4.08Å; V122-L129 HydrophobicContact CG2-CD1 4.07Å; G125-L129 PolarHBondContact O-N 3.17Å; Y126-L129 HydrophobicContact CD1-CD2 3.99Å; Y126-L129 HydrophobicContact CE1-CD2 4.34Å; Y126-L129 WeakPolarHBondContact O-CB 3.47Å; Y126-L129 PolarHBondContact O-N 2.9Å; Q127-L129 PolarHBondContact O-N 3.31Å; L129-I136 HydrophobicContact CD1-CD1 4.33Å; L129-F163 HydrophobicContact CD2-CE2 3.97Å; L129-F163 HydrophobicContact CD2-CZ 4.44Å; L129-A172 HydrophobicContact CB-CB 4.49Å; L129-A172 HydrophobicContact CD2-CB 3.92Å; L129-A172 HydrophobicContact CG-CB 3.82Å; L129-A172 WeakPolarHBondContact O-CA 3.38Å; L129-N175 PolarHBondContact O-ND2 3.44Å; L129-L176 HydrophobicContact CD1-CD1 4.14Å; L129-L176 HydrophobicContact CD1-CD2 3.82Å; L129-L176 HydrophobicContact CD1-CG 3.94Å; L129-F199 HydrophobicContact CD2-CE1 4.29Å
130	V	95.7	Very high	95.4	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.018	20%	0.197	C	C	.	.	H	α-helix	trans	-72.2	-42.6	178.6	169.1	0	0	0	0	112	Y126 Q127 D162 F163 R171 A172 N175	Y126-V130 VanDerWaalsContact O-CG2 3.3Å; Y126-V130 WeakPolarHBondContact O-CG2 3.38Å; Y126-V130 PolarHBondContact O-N 3.07Å; Y126-V130 VanDerWaalsContact O-N 3.09Å; Q127-V130 WeakPolarHBondContact O-CB 3.43Å; Q127-V130 PolarHBondContact O-N 3.23Å; Q127-V130 VanDerWaalsContact O-N 3.1Å; V130-D162 HydrophobicContact CG1-CB 3.96Å; V130-F163 HydrophobicContact CG2-CB 4.06Å; V130-F163 HydrophobicContact CG2-CD2 3.71Å; V130-F163 HydrophobicContact CG2-CG 4.39Å; V130-R171 HydrophobicContact CG1-CB 4.46Å; V130-A172 HydrophobicContact CG2-CB 4.23Å; V130-N175 PolarHBondContact O-ND2 3.36Å
131	D	95.4	Very high	95.1	Very high	79 Å²	79	37.5 Å²	37.5	42%	0.422	20%	0.2	S	C	.	.	H	α-helix	trans	-72.7	-34.4	-178.6	-64.2	-13.6	0	0	0	112.2	Q127 N135	Q127-D131 PolarHBondContact NE2-OD1 3.29Å; Q127-D131 WeakPolarHBondContact O-CB 3.5Å; Q127-D131 PolarHBondContact O-N 3.31Å; D131-N135 WeakPolarHBondContact CB-ND2 2.82Å
132	G	93.3	Very high	94.7	Very high	2 Å²	2	39.4 Å²	39.4	2%	0.021	21%	0.209	C	C	.	.			trans	67.5	-143.6	179.6	0	0	0	0	0	113	G128 D134 N135 N175	G128-G132 PolarHBondContact O-N 2.97Å; G132-D134 PolarHBondContact O-N 3.38Å; G132-N135 WeakPolarHBondContact O-CB 3.44Å; G132-N135 PolarHBondContact O-N 2.86Å; G132-N175 VanDerWaalsContact CA-ND2 3.3Å; G132-N175 WeakPolarHBondContact CA-ND2 3.4Å; G132-N175 PolarHBondContact N-ND2 3.02Å
133	G	92.4	Very high	94.4	Very high	48 Å²	48	41.4 Å²	41.4	50%	0.495	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	51.5	-129.1	176.6	0	0	0	0	0	113.2	N135 I136 R179	G133-N135 PolarHBondContact O-N 3.23Å; G133-I136 PolarHBondContact O-N 2.96Å; G133-R179 PolarHBondContact O-NH2 3.12Å
134	D	91.3	Very high	94.2	Very high	121 Å²	121	39.3 Å²	39.3	65%	0.647	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-64.2	-12.3	178.8	-95	-55.5	0	0	0	115.4	G132 I136 K137	G132-D134 PolarHBondContact O-N 3.38Å; D134-I136 VanDerWaalsContact C-N 3.33Å; D134-K137 VanDerWaalsContact O-CD 3.31Å; D134-K137 WeakPolarHBondContact O-CD 3.38Å; D134-K137 WeakPolarHBondContact O-CE 3.45Å; D134-K137 WeakPolarHBondContact O-CG 3.39Å; D134-K137 PolarHBondContact O-NZ 2.75Å; D134-K137 WeakPolarHBondContact OD1-CE 3.43Å; D134-K137 IonicContact OD1-NZ 3.75Å; D134-K137 PolarHBondContact OD1-NZ 3.31Å
135	N	95.5	Very high	93.9	Very high	48 Å²	48	36.6 Å²	36.6	26%	0.257	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-80.6	-15	176.6	-65	-34	0	0	0	112.8	V122 H123 G128 D131 G132 G133	V122-N135 CarbonylContact C-O 3.58Å; V122-N135 WeakPolarHBondContact CA-O 3.21Å; H123-N135 HydrophobicContact CB-CB 4.38Å; H123-N135 PolarHBondContact CD2-O 3.33Å; H123-N135 PolarHBondContact N-O 3.02Å; G128-N135 VanDerWaalsContact CA-CB 3.45Å; D131-N135 WeakPolarHBondContact CB-ND2 2.82Å; G132-N135 WeakPolarHBondContact O-CB 3.44Å; G132-N135 PolarHBondContact O-N 2.86Å; G133-N135 PolarHBondContact O-N 3.23Å
136	I	96.8	Very high	93.4	Very high	2 Å²	2	39 Å²	39	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	117.7	170.2	-51.4	177.2	0	0	0	107.9	F120 F121 V122 L129 G133 D134 N175 R179 I181	F120-I136 HydrophobicContact CB-CG2 4.05Å; F120-I136 HydrophobicContact CD1-CG2 4.1Å; F120-I136 HydrophobicContact CG-CG2 4.37Å; F121-I136 CarbonylContact O-C 3.53Å; F121-I136 VanDerWaalsContact O-CA 3.31Å; F121-I136 WeakPolarHBondContact O-CA 3.42Å; V122-I136 HydrophobicContact CG1-CG1 4.36Å; V122-I136 HydrophobicContact CG2-CG1 4.36Å; V122-I136 HydrophobicContact CG2-CG2 4.45Å; L129-I136 HydrophobicContact CD1-CD1 4.33Å; G133-I136 PolarHBondContact O-N 2.96Å; D134-I136 VanDerWaalsContact C-N 3.33Å; I136-N175 HydrophobicContact CD1-CB 3.98Å; I136-R179 PolarHBondContact O-NH1 3.37Å; I136-R179 PolarHBondContact O-NH2 2.97Å; I136-I181 HydrophobicContact CG2-CD1 4.15Å
137	K	96.4	Very high	93.2	Very high	88 Å²	88	39.3 Å²	39.3	38%	0.383	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	133.4	-171.8	-83.6	175.3	167.2	125.9	0	111.9	F120 F121 D134 A139	F120-K137 CarbonylContact C-O 3.57Å; F120-K137 VanDerWaalsContact CA-O 3.24Å; F120-K137 WeakPolarHBondContact CA-O 3.38Å; F121-K137 PolarHBondContact N-O 3.1Å; F121-K137 PolarHBondContact O-N 3.23Å; D134-K137 VanDerWaalsContact O-CD 3.31Å; D134-K137 WeakPolarHBondContact O-CD 3.38Å; D134-K137 WeakPolarHBondContact O-CE 3.45Å; D134-K137 WeakPolarHBondContact O-CG 3.39Å; D134-K137 PolarHBondContact O-NZ 2.75Å; D134-K137 WeakPolarHBondContact OD1-CE 3.43Å; D134-K137 IonicContact OD1-NZ 3.75Å; D134-K137 PolarHBondContact OD1-NZ 3.31Å; K137-A139 PolarHBondContact O-N 3.3Å
138	E	96.7	Very high	93	Very high	97 Å²	97	37.7 Å²	37.7	45%	0.453	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	128.6	178.1	-167	157.8	-169.5	0	0	110.1	R118 F120	R118-E138 IonicContact CZ-OE1 2.8Å; R118-E138 IonicContact CZ-OE2 2.8Å; R118-E138 IonicContact NE-OE1 2.73Å; R118-E138 PolarHBondContact NE-OE1 2.94Å; R118-E138 IonicContact NE-OE2 3.2Å; R118-E138 IonicContact NH2-OE1 2.69Å; R118-E138 PolarHBondContact NH2-OE1 3.31Å; R118-E138 IonicContact NH2-OE2 2.65Å; R118-E138 PolarHBondContact NH2-OE2 3.44Å; F120-E138 HydrophobicContact CD1-CB 3.94Å; F120-E138 HydrophobicContact CD1-CG 4.5Å; F120-E138 HydrophobicContact CE1-CB 3.73Å; F120-E138 HydrophobicContact CE1-CG 4.16Å; F120-E138 HydrophobicContact CZ-CB 4.37Å; F120-E138 HydrophobicContact CZ-CG 4.31Å
139	A	96	Very high	92.8	Very high	7 Å²	7	39 Å²	39	6%	0.058	22%	0.217	C	C	.	.			trans	-90.7	138.2	-174.9	0	0	0	0	0	110.5	V109 V119 F121 K137	V109-A139 HydrophobicContact CG1-CB 3.76Å; V109-A139 HydrophobicContact CG2-CB 3.89Å; V119-A139 WeakPolarHBondContact O-CB 3.09Å; V119-A139 PolarHBondContact O-N 3.17Å; F121-A139 HydrophobicContact CD1-CB 4.44Å; F121-A139 HydrophobicContact CD2-CB 3.84Å; F121-A139 HydrophobicContact CE1-CB 4.13Å; F121-A139 HydrophobicContact CE2-CB 3.46Å; F121-A139 VanDerWaalsContact CE2-CB 3.46Å; F121-A139 HydrophobicContact CG-CB 4.33Å; F121-A139 HydrophobicContact CZ-CB 3.63Å; K137-A139 PolarHBondContact O-N 3.3Å
140	T	94.2	Very high	92.7	Very high	74 Å²	74	42.6 Å²	42.6	45%	0.454	24%	0.235	S	C	.	.			trans	-105.3	163.7	172.9	66.3	0	0	0	0	111.2	E142 S143	T140-E142 PolarHBondContact O-N 2.96Å; T140-S143 PolarHBondContact N-OG 2.99Å; T140-S143 VanDerWaalsContact N-OG 3.16Å; T140-S143 WeakPolarHBondContact O-CB 3.16Å; T140-S143 PolarHBondContact O-N 3.2Å; T140-S143 VanDerWaalsContact O-N 3.1Å; T140-S143 PolarHBondContact O-OG 3.13Å; T140-S143 WeakPolarHBondContact OG1-CB 3.44Å; T140-S143 PolarHBondContact OG1-N 3.22Å; T140-S143 VanDerWaalsContact OG1-N 3.16Å
141	W	90.4	Very high	92.4	Very high	23 Å²	23	44 Å²	44	9%	0.087	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-38.3	175.9	-175.8	-93.7	0	0	0	113	R110 I113 I822 L823 K825	R110-W141 HydrophobicContact CB-CE3 4.23Å; R110-W141 HydrophobicContact CB-CH2 3.64Å; R110-W141 HydrophobicContact CB-CZ2 4.42Å; R110-W141 HydrophobicContact CB-CZ3 3.56Å; R110-W141 HydrophobicContact CG-CD2 4.21Å; R110-W141 HydrophobicContact CG-CE3 3.91Å; R110-W141 HydrophobicContact CG-CH2 3.64Å; R110-W141 HydrophobicContact CG-CZ2 3.95Å; R110-W141 HydrophobicContact CG-CZ3 3.65Å; R110-W141 PolarHBondContact NH2-O 3.24Å; R110-W141 VanDerWaalsContact NH2-O 3.14Å; R110-W141 WeakPolarHBondContact O-CZ3 3.25Å; I113-W141 HydrophobicContact CG2-CE3 4.29Å; W141-I822 VanDerWaalsContact CH2-O 3.28Å; W141-I822 WeakPolarHBondContact CH2-O 3.27Å; W141-L823 WeakPolarHBondContact CZ2-O 3.45Å; W141-K825 HydrophobicContact CD2-CB 4.43Å; W141-K825 HydrophobicContact CD2-CD 4.1Å; W141-K825 HydrophobicContact CD2-CG 4.2Å; W141-K825 HydrophobicContact CE3-CG 4.48Å; W141-K825 HydrophobicContact CG-CD 4.19Å; W141-K825 HydrophobicContact CH2-CB 4.01Å; W141-K825 HydrophobicContact CH2-CG 4.3Å; W141-K825 HydrophobicContact CZ2-CB 3.44Å; W141-K825 VanDerWaalsContact CZ2-CB 3.44Å; W141-K825 HydrophobicContact CZ2-CG 4.01Å; W141-K825 HydrophobicContact CZ3-CG 4.5Å
142	E	90.4	Very high	92.2	Very high	57 Å²	57	40.7 Å²	40.7	27%	0.266	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-34	-179.8	-66.1	64.6	-141.1	0	0	111.4	T140 V144 S145 T690 V691	T140-E142 PolarHBondContact O-N 2.96Å; E142-V144 PolarHBondContact O-N 2.88Å; E142-S145 WeakPolarHBondContact O-CB 3.47Å; E142-S145 PolarHBondContact O-N 3.46Å; E142-S145 PolarHBondContact O-OG 3.4Å; E142-T690 WeakPolarHBondContact CG-OG1 3.41Å; E142-V691 HydrophobicContact CB-CG2 4.33Å; E142-V691 HydrophobicContact CG-CG2 4.09Å
143	S	91.3	Very high	92.2	Very high	42 Å²	42	41.9 Å²	41.9	29%	0.294	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-36.5	-177.1	72.3	0	0	0	0	113.2	F121 T140 S145 M147	F121-S143 WeakPolarHBondContact CE2-OG 3.36Å; F121-S143 WeakPolarHBondContact CZ-OG 3.48Å; T140-S143 PolarHBondContact N-OG 2.99Å; T140-S143 VanDerWaalsContact N-OG 3.16Å; T140-S143 WeakPolarHBondContact O-CB 3.16Å; T140-S143 PolarHBondContact O-N 3.2Å; T140-S143 VanDerWaalsContact O-N 3.1Å; T140-S143 PolarHBondContact O-OG 3.13Å; T140-S143 WeakPolarHBondContact OG1-CB 3.44Å; T140-S143 PolarHBondContact OG1-N 3.22Å; T140-S143 VanDerWaalsContact OG1-N 3.16Å; S143-S145 VanDerWaalsContact C-N 3.3Å; S143-S145 PolarHBondContact O-N 3.49Å; S143-M147 VanDerWaalsContact O-CE 3.29Å; S143-M147 WeakPolarHBondContact O-CE 3.3Å
144	V	92.1	Very high	92.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	18.9	178.7	-61	0	0	0	0	115	R106 V109 R110 F121 E142 M147	R106-V144 HydrophobicContact CB-CB 4.06Å; R106-V144 HydrophobicContact CB-CG2 4.4Å; R106-V144 HydrophobicContact CG-CB 4Å; R106-V144 HydrophobicContact CG-CG2 3.9Å; V109-V144 HydrophobicContact CB-CG1 3.73Å; V109-V144 HydrophobicContact CB-CG2 4.23Å; V109-V144 HydrophobicContact CG1-CG1 3.82Å; V109-V144 HydrophobicContact CG1-CG2 3.99Å; V109-V144 HydrophobicContact CG2-CG1 3.78Å; R110-V144 HydrophobicContact CG-CG2 3.81Å; F121-V144 HydrophobicContact CE1-CG1 3.87Å; F121-V144 HydrophobicContact CZ-CG1 3.58Å; E142-V144 PolarHBondContact O-N 2.88Å; V144-M147 WeakPolarHBondContact CA-SD 3.44Å; V144-M147 HydrophobicContact CB-CE 4.47Å; V144-M147 HydrophobicContact CB-SD 3.69Å; V144-M147 HydrophobicContact CG1-CE 4.23Å; V144-M147 HydrophobicContact CG1-SD 3.68Å
145	S	87.6	Confident	92.3	Very high	25 Å²	25	36.6 Å²	36.6	18%	0.175	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	144	175	-64.9	0	0	0	0	111.8	E142 S143 M147 V691	E142-S145 WeakPolarHBondContact O-CB 3.47Å; E142-S145 PolarHBondContact O-N 3.46Å; E142-S145 PolarHBondContact O-OG 3.4Å; S143-S145 VanDerWaalsContact C-N 3.3Å; S143-S145 PolarHBondContact O-N 3.49Å; S145-M147 PolarHBondContact O-N 3.13Å; S145-V691 WeakPolarHBondContact OG-CG2 3.48Å
146	M	84.7	Confident	92.2	Very high	51 Å²	51	35 Å²	35	25%	0.251	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	9.3	-176.1	-62.1	-62.3	-95.2	0	0	115.8	Q149 L150 K628 A632 R693	M146-Q149 VanDerWaalsContact CE-NE2 3.29Å; M146-Q149 PolarHBondContact O-NE2 3.16Å; M146-Q149 VanDerWaalsContact O-NE2 3.08Å; M146-Q149 PolarHBondContact O-OE1 3.15Å; M146-Q149 VanDerWaalsContact O-OE1 3.07Å; M146-Q149 PolarHBondContact SD-NE2 3.3Å; M146-Q149 VanDerWaalsContact SD-NE2 3.43Å; M146-L150 WeakPolarHBondContact O-CG 3.27Å; M146-K628 HydrophobicContact CE-CB 4.33Å; M146-A632 HydrophobicContact CE-CB 4.45Å; M146-R693 VanDerWaalsContact CG-CZ 3.48Å; M146-R693 PolarHBondContact SD-NE 3.48Å; M146-R693 PolarHBondContact SD-NH2 3.26Å; M146-R693 VanDerWaalsContact SD-NH2 3.43Å
147	M	91.1	Very high	91.9	Very high	20 Å²	20	36.5 Å²	36.5	10%	0.099	21%	0.209	C	C	.	.			trans	-75.8	-27.8	-179.1	-71.8	-173	174.5	0	0	114.8	N102 S143 V144 S145 Q149 L150 V154	N102-M147 HydrophobicContact CB-CB 4.26Å; N102-M147 VanDerWaalsContact CB-O 3.29Å; N102-M147 WeakPolarHBondContact CB-O 3.32Å; S143-M147 VanDerWaalsContact O-CE 3.29Å; S143-M147 WeakPolarHBondContact O-CE 3.3Å; V144-M147 WeakPolarHBondContact CA-SD 3.44Å; V144-M147 HydrophobicContact CB-CE 4.47Å; V144-M147 HydrophobicContact CB-SD 3.69Å; V144-M147 HydrophobicContact CG1-CE 4.23Å; V144-M147 HydrophobicContact CG1-SD 3.68Å; S145-M147 PolarHBondContact O-N 3.13Å; M147-Q149 VanDerWaalsContact C-N 3.28Å; M147-Q149 PolarHBondContact O-N 3.5Å; M147-L150 PolarHBondContact O-N 3.01Å; M147-L150 VanDerWaalsContact O-N 3.1Å; M147-V154 HydrophobicContact CE-CB 4.06Å; M147-V154 HydrophobicContact CE-CG1 4.47Å; M147-V154 HydrophobicContact CE-CG2 3.37Å; M147-V154 HydrophobicContact CG-CG1 4.35Å; M147-V154 HydrophobicContact CG-CG2 4.22Å; M147-V154 HydrophobicContact SD-CG2 3.55Å; M147-V154 VanDerWaalsContact SD-CG2 3.55Å
148	L	91.8	Very high	91.5	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.026	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-36.1	-172.8	-76	171.1	0	0	0	114.2	A103 P376 R381 A659 G660	A103-L148 HydrophobicContact CB-CD2 3.65Å; L148-P376 WeakPolarHBondContact O-CG 3.5Å; L148-R381 WeakPolarHBondContact O-CD 3.16Å; L148-R381 WeakPolarHBondContact O-CG 3.36Å; L148-R381 PolarHBondContact O-NE 2.89Å; L148-A659 VanDerWaalsContact CD1-C 3.46Å; L148-A659 WeakPolarHBondContact CD1-O 3.49Å; L148-G660 VanDerWaalsContact CD1-CA 3.47Å
149	Q	90.7	Very high	91	Very high	28 Å²	28	41 Å²	41	13%	0.131	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-1	-178	74.4	-80.4	5.2	0	0	114.1	M146 M147 T375 D625	M146-Q149 VanDerWaalsContact CE-NE2 3.29Å; M146-Q149 PolarHBondContact O-NE2 3.16Å; M146-Q149 VanDerWaalsContact O-NE2 3.08Å; M146-Q149 PolarHBondContact O-OE1 3.15Å; M146-Q149 VanDerWaalsContact O-OE1 3.07Å; M146-Q149 PolarHBondContact SD-NE2 3.3Å; M146-Q149 VanDerWaalsContact SD-NE2 3.43Å; M147-Q149 VanDerWaalsContact C-N 3.28Å; M147-Q149 PolarHBondContact O-N 3.5Å; Q149-T375 WeakPolarHBondContact O-CG2 3.46Å; Q149-D625 HydrophobicContact CB-CB 4.43Å; Q149-D625 WeakPolarHBondContact CB-OD1 3.46Å; Q149-D625 WeakPolarHBondContact CB-OD2 3.29Å
150	L	92.4	Very high	90.7	Very high	75 Å²	75	41.7 Å²	41.7	39%	0.393	23%	0.231	S	C	.	.			trans	-84.9	135.9	-179.5	-61.8	178.4	0	0	0	110.9	N102 M146 M147 V154	N102-L150 PolarHBondContact ND2-O 3.04Å; M146-L150 WeakPolarHBondContact O-CG 3.27Å; M147-L150 PolarHBondContact O-N 3.01Å; M147-L150 VanDerWaalsContact O-N 3.1Å; L150-V154 HydrophobicContact CB-CG1 4.45Å; L150-V154 HydrophobicContact CD1-CG1 3.7Å
151	G	90.6	Very high	90.4	Very high	32 Å²	32	46.1 Å²	46.1	33%	0.33	24%	0.244	S	C	.	.			trans	-73.1	172.3	169.6	0	0	0	0	0	112.9	N102 G374	N102-G151 PolarHBondContact ND2-O 3Å; G151-G374 WeakPolarHBondContact CA-O 3.39Å
152	G	91.7	Very high	90.4	Very high	10 Å²	10	47.7 Å²	47.7	10%	0.103	25%	0.254	C	S	.	.	S	Bend	trans	55.3	-142.2	-179.7	0	0	0	0	0	113.5	D97 N102	D97-G152 VanDerWaalsContact OD2-CA 3.27Å; D97-G152 WeakPolarHBondContact OD2-CA 3.26Å; N102-G152 PolarHBondContact ND2-O 3.19Å
153	T	92.1	Very high	90.5	Very high	26 Å²	26	45.8 Å²	45.8	16%	0.16	25%	0.245	C	C	.	.			trans	-129	128.9	172.7	174.6	0	0	0	0	112.1	T93 D97 N102 I155 G156	T93-T153 WeakPolarHBondContact CG2-OG1 3.42Å; T93-T153 WeakPolarHBondContact OG1-CB 3.23Å; T93-T153 WeakPolarHBondContact OG1-CG2 3.42Å; T93-T153 PolarHBondContact OG1-OG1 3.44Å; D97-T153 HydrophobicContact CB-CG2 4.49Å; N102-T153 WeakPolarHBondContact OD1-CA 3.33Å; T153-I155 VanDerWaalsContact C-N 3.3Å; T153-I155 PolarHBondContact O-N 3.03Å; T153-I155 PolarHBondContact OG1-N 2.96Å; T153-G156 WeakPolarHBondContact CG2-O 3.34Å; T153-G156 PolarHBondContact O-N 2.8Å
154	V	92.6	Very high	90.4	Very high	55 Å²	55	53.4 Å²	53.4	33%	0.333	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-16.1	177.2	-67.6	0	0	0	0	114.8	N102 M147 L150	N102-V154 WeakPolarHBondContact OD1-CG1 3.17Å; N102-V154 VanDerWaalsContact OD1-CG2 3.24Å; N102-V154 WeakPolarHBondContact OD1-CG2 3.17Å; N102-V154 PolarHBondContact OD1-N 3Å; M147-V154 HydrophobicContact CE-CB 4.06Å; M147-V154 HydrophobicContact CE-CG1 4.47Å; M147-V154 HydrophobicContact CE-CG2 3.37Å; M147-V154 HydrophobicContact CG-CG1 4.35Å; M147-V154 HydrophobicContact CG-CG2 4.22Å; M147-V154 HydrophobicContact SD-CG2 3.55Å; M147-V154 VanDerWaalsContact SD-CG2 3.55Å; L150-V154 HydrophobicContact CB-CG1 4.45Å; L150-V154 HydrophobicContact CD1-CG1 3.7Å
155	I	93.9	Very high	90.4	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.015	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	2.8	175.1	65.5	-178.2	0	0	0	112.3	T93 V105 F121 H123 E124 T153	T93-I155 HydrophobicContact CG2-CD1 4.41Å; T93-I155 HydrophobicContact CG2-CG1 4.47Å; T93-I155 WeakPolarHBondContact OG1-CG1 3.47Å; V105-I155 HydrophobicContact CG2-CD1 4.16Å; F121-I155 HydrophobicContact CB-CG2 4.06Å; F121-I155 HydrophobicContact CD1-CG2 3.62Å; F121-I155 HydrophobicContact CE1-CG2 4.19Å; F121-I155 HydrophobicContact CG-CG2 3.91Å; H123-I155 CarbonylContact C-O 3.54Å; H123-I155 WeakPolarHBondContact CA-O 3.47Å; H123-I155 PolarHBondContact ND1-O 2.65Å; E124-I155 PolarHBondContact N-O 2.98Å; T153-I155 VanDerWaalsContact C-N 3.3Å; T153-I155 PolarHBondContact O-N 3.03Å; T153-I155 PolarHBondContact OG1-N 2.96Å
156	G	92.5	Very high	90.7	Very high	14 Å²	14	62.8 Å²	62.8	14%	0.144	30%	0.304	C	S	.	.			trans	75.9	177.2	179.7	0	0	0	0	0	113.7	T93 T153	T93-G156 PolarHBondContact OG1-O 3.27Å; T153-G156 WeakPolarHBondContact CG2-O 3.34Å; T153-G156 PolarHBondContact O-N 2.8Å
157	S	90.8	Very high	91.1	Very high	34 Å²	34	67.1 Å²	67.1	24%	0.238	32%	0.324	C	S	.	.			trans	-166.7	105.1	179.6	179.9	0	0	0	0	109.1	S94 G95 E124	S94-S157 WeakPolarHBondContact CA-OG 3.19Å; G95-S157 PolarHBondContact N-OG 3.03Å; G95-S157 VanDerWaalsContact N-OG 3.12Å; G95-S157 PolarHBondContact O-OG 2.82Å; E124-S157 PolarHBondContact OE2-N 2.93Å; E124-S157 VanDerWaalsContact OE2-N 3.14Å
158	A	88.8	Confident	91.2	Very high	33 Å²	33	66.2 Å²	66.2	27%	0.273	32%	0.319	S	S	.	.			trans	-105	151.1	177.6	0	0	0	0	0	111.9	E124 Q127 C160	E124-A158 HydrophobicContact CB-CB 3.88Å; E124-A158 WeakPolarHBondContact O-CB 3.16Å; E124-A158 PolarHBondContact O-N 3.43Å; Q127-A158 HydrophobicContact CB-CB 4.02Å; A158-C160 PolarHBondContact O-N 2.97Å
159	R	86.2	Confident	91.4	Very high	248 Å²	248	67.3 Å²	67.3	94%	0.936	32%	0.323	S	S	*	.			trans	-74.6	103.7	168.2	-68.9	-176.4	-178.7	-178.6	0.6	109.2
160	C	88.7	Confident	91.6	Very high	20 Å²	20	67.8 Å²	67.8	14%	0.135	33%	0.326	C	S	.	.			trans	-81.6	122.1	174.3	-168.4	0	0	0	0	111.1	Q127 A158 F163	Q127-C160 HydrophobicContact CB-CB 4.2Å; Q127-C160 PolarHBondContact OE1-SG 3.06Å; A158-C160 PolarHBondContact O-N 2.97Å; C160-F163 HydrophobicContact CB-CB 4.15Å; C160-F163 VanDerWaalsContact SG-CB 3.55Å; C160-F163 PolarHBondContact SG-N 3.11Å
161	K	88.8	Confident	91.7	Very high	167 Å²	167	68.4 Å²	68.4	73%	0.726	32%	0.324	S	S	*	.	S	Bend	trans	-82.8	-47.1	168.1	-72.8	-177.4	178.6	179	0	110.2	F163 R164	K161-F163 VanDerWaalsContact C-N 3.26Å; K161-F163 PolarHBondContact O-N 3.29Å; K161-F163 VanDerWaalsContact O-N 3.16Å; K161-R164 VanDerWaalsContact O-CB 3.22Å; K161-R164 WeakPolarHBondContact O-CB 3.35Å; K161-R164 WeakPolarHBondContact O-CG 3.43Å; K161-R164 PolarHBondContact O-N 3.28Å
162	D	89.6	Confident	92	Very high	57 Å²	57	66.9 Å²	66.9	31%	0.305	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-51.9	-40	-175.5	-60.2	20.3	0	0	0	113.5	V130 R164 E165 G168 R171	V130-D162 HydrophobicContact CG1-CB 3.96Å; D162-R164 PolarHBondContact O-N 2.69Å; D162-E165 WeakPolarHBondContact O-CA 3.19Å; D162-E165 WeakPolarHBondContact O-CB 3.31Å; D162-E165 PolarHBondContact O-N 2.85Å; D162-E165 VanDerWaalsContact O-O 3.13Å; D162-G168 WeakPolarHBondContact O-CA 3.45Å; D162-R171 IonicContact OD2-CZ 3.93Å; D162-R171 IonicContact OD2-NH1 2.73Å; D162-R171 IonicContact OD2-NH2 3.06Å; D162-R171 PolarHBondContact OD2-NH2 3.29Å
163	F	92	Very high	92.2	Very high	16 Å²	16	66.4 Å²	66.4	7%	0.07	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-67.5	-14.3	-179.5	-161.7	-100.5	0	0	0	113.8	Y126 L129 V130 C160 K161 E165 R169 A172 F199	Y126-F163 AromaticContact CD1-CD1 3.63Å; Y126-F163 HydrophobicContact CD1-CD1 3.63Å; Y126-F163 AromaticContact CD1-CD2 3.95Å; Y126-F163 HydrophobicContact CD1-CD2 3.95Å; Y126-F163 AromaticContact CD1-CE1 3.42Å; Y126-F163 HydrophobicContact CD1-CE1 3.42Å; Y126-F163 VanDerWaalsContact CD1-CE1 3.42Å; Y126-F163 AromaticContact CD1-CE2 3.75Å; Y126-F163 HydrophobicContact CD1-CE2 3.75Å; Y126-F163 AromaticContact CD1-CG 3.89Å; Y126-F163 HydrophobicContact CD1-CG 3.89Å; Y126-F163 AromaticContact CD1-CZ 3.47Å; Y126-F163 HydrophobicContact CD1-CZ 3.47Å; Y126-F163 VanDerWaalsContact CD1-CZ 3.47Å; Y126-F163 HydrophobicContact CD2-CD1 4.48Å; Y126-F163 HydrophobicContact CE1-CD1 4.03Å; Y126-F163 AromaticContact CE1-CE1 3.38Å; Y126-F163 HydrophobicContact CE1-CE1 3.38Å; Y126-F163 HydrophobicContact CE1-CE2 4.18Å; Y126-F163 AromaticContact CE1-CZ 3.46Å; Y126-F163 HydrophobicContact CE1-CZ 3.46Å; Y126-F163 VanDerWaalsContact CE1-CZ 3.46Å; Y126-F163 AromaticContact CG-CD1 3.9Å; Y126-F163 HydrophobicContact CG-CD1 3.9Å; Y126-F163 HydrophobicContact CG-CE1 4.12Å; Y126-F163 HydrophobicContact CG-CG 4.11Å; L129-F163 HydrophobicContact CD2-CE2 3.97Å; L129-F163 HydrophobicContact CD2-CZ 4.44Å; V130-F163 HydrophobicContact CG2-CB 4.06Å; V130-F163 HydrophobicContact CG2-CD2 3.71Å; V130-F163 HydrophobicContact CG2-CG 4.39Å; C160-F163 HydrophobicContact CB-CB 4.15Å; C160-F163 VanDerWaalsContact SG-CB 3.55Å; C160-F163 PolarHBondContact SG-N 3.11Å; K161-F163 VanDerWaalsContact C-N 3.26Å; K161-F163 PolarHBondContact O-N 3.29Å; K161-F163 VanDerWaalsContact O-N 3.16Å; F163-E165 VanDerWaalsContact C-N 3.31Å; F163-R169 HydrophobicContact CD1-CG 4.34Å; F163-R169 HydrophobicContact CD2-CG 3.91Å; F163-R169 HydrophobicContact CE1-CG 4.31Å; F163-R169 HydrophobicContact CE2-CG 3.89Å; F163-R169 HydrophobicContact CG-CG 4.15Å; F163-R169 HydrophobicContact CZ-CG 4.11Å; F163-R169 VanDerWaalsContact O-CG 3.31Å; F163-R169 WeakPolarHBondContact O-CG 3.1Å; F163-R169 PolarHBondContact O-NH1 2.92Å; F163-A172 HydrophobicContact CD2-CB 4.1Å; F163-A172 HydrophobicContact CE2-CB 3.73Å; F163-F199 HydrophobicContact CE1-CB 4.22Å; F163-F199 HydrophobicContact CE2-CD2 4.01Å; F163-F199 HydrophobicContact CE2-CE2 4.13Å; F163-F199 HydrophobicContact CE2-CG 4.21Å; F163-F199 HydrophobicContact CE2-CZ 4.43Å; F163-F199 HydrophobicContact CZ-CB 3.72Å; F163-F199 AromaticContact CZ-CD1 3.99Å; F163-F199 HydrophobicContact CZ-CD1 3.99Å; F163-F199 AromaticContact CZ-CD2 3.76Å; F163-F199 HydrophobicContact CZ-CD2 3.76Å; F163-F199 HydrophobicContact CZ-CE2 4.3Å; F163-F199 AromaticContact CZ-CG 3.56Å; F163-F199 HydrophobicContact CZ-CG 3.56Å
164	R	89.4	Confident	92.4	Very high	202 Å²	202	69.2 Å²	69.2	76%	0.762	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-71.1	-29.6	168.7	-60.4	-177.9	171.7	-154.6	-7.2	111.8	K161 D162 R169	K161-R164 VanDerWaalsContact O-CB 3.22Å; K161-R164 WeakPolarHBondContact O-CB 3.35Å; K161-R164 WeakPolarHBondContact O-CG 3.43Å; K161-R164 PolarHBondContact O-N 3.28Å; D162-R164 PolarHBondContact O-N 2.69Å; R164-R169 PolarHBondContact O-NH1 3.43Å
165	E	92.8	Very high	92.6	Very high	129 Å²	129	67.7 Å²	67.7	60%	0.603	30%	0.301	S	S	*	.	S	Bend	trans	-86.4	145.8	175	-54.5	-51.7	144.1	0	0	111	D162 F163 E167 G168 R169	D162-E165 WeakPolarHBondContact O-CA 3.19Å; D162-E165 WeakPolarHBondContact O-CB 3.31Å; D162-E165 PolarHBondContact O-N 2.85Å; D162-E165 VanDerWaalsContact O-O 3.13Å; F163-E165 VanDerWaalsContact C-N 3.31Å; E165-E167 PolarHBondContact O-N 2.81Å; E165-G168 PolarHBondContact O-N 2.92Å; E165-G168 VanDerWaalsContact O-N 3.15Å; E165-R169 PolarHBondContact O-N 2.61Å; E165-R169 PolarHBondContact O-NH1 2.69Å
166	R	92.8	Very high	92.6	Very high	93 Å²	93	67.6 Å²	67.6	35%	0.351	30%	0.301	S	S	.	.	H	α-helix	trans	-60.9	-31.2	178.7	-171.9	176	170.9	112.7	-9.3	111.9	R169 L170 D205 L206 D209	R166-R169 PolarHBondContact O-N 3.19Å; R166-L170 WeakPolarHBondContact O-CB 3.31Å; R166-L170 PolarHBondContact O-N 2.87Å; R166-D205 VanDerWaalsContact NH2-CB 3.29Å; R166-L206 HydrophobicContact CG-CD2 4Å; R166-D209 IonicContact CZ-OD2 3.85Å; R166-D209 IonicContact NE-OD2 3.65Å; R166-D209 IonicContact NH2-OD2 3.71Å; R166-D209 PolarHBondContact NH2-OD2 3.01Å
167	E	93	Very high	92.8	Very high	142 Å²	142	67.1 Å²	67.1	66%	0.664	30%	0.295	S	S	*	.	H	α-helix	trans	-64.4	-39.7	175.9	-172	-176.8	176.7	0	0	112.9	E165 L170 R171	E165-E167 PolarHBondContact O-N 2.81Å; E167-L170 WeakPolarHBondContact O-CB 3.08Å; E167-L170 PolarHBondContact O-N 3.14Å; E167-R171 PolarHBondContact O-N 3.03Å
168	G	93.9	Very high	92.9	Very high	1 Å²	1	69.5 Å²	69.5	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-64.8	-42.7	174	0	0	0	0	0	111.3	D162 E165 L170 R171 A172	D162-G168 WeakPolarHBondContact O-CA 3.45Å; E165-G168 PolarHBondContact O-N 2.92Å; E165-G168 VanDerWaalsContact O-N 3.15Å; G168-L170 VanDerWaalsContact C-N 3.33Å; G168-L170 PolarHBondContact O-N 2.87Å; G168-R171 PolarHBondContact O-N 2.75Å; G168-A172 PolarHBondContact O-N 3.2Å
169	R	95.4	Very high	93.1	Very high	28 Å²	28	71.2 Å²	71.2	11%	0.106	30%	0.301	C	S	.	.	H	α-helix	trans	-62.2	-38.3	173.5	-64.5	-166.6	-65.5	-82.9	12	112.4	F163 R164 E165 R166 R171 A172 A173 F199 E202 L206	F163-R169 HydrophobicContact CD1-CG 4.34Å; F163-R169 HydrophobicContact CD2-CG 3.91Å; F163-R169 HydrophobicContact CE1-CG 4.31Å; F163-R169 HydrophobicContact CE2-CG 3.89Å; F163-R169 HydrophobicContact CG-CG 4.15Å; F163-R169 HydrophobicContact CZ-CG 4.11Å; F163-R169 VanDerWaalsContact O-CG 3.31Å; F163-R169 WeakPolarHBondContact O-CG 3.1Å; F163-R169 PolarHBondContact O-NH1 2.92Å; R164-R169 PolarHBondContact O-NH1 3.43Å; E165-R169 PolarHBondContact O-N 2.61Å; E165-R169 PolarHBondContact O-NH1 2.69Å; R166-R169 PolarHBondContact O-N 3.19Å; R169-R171 PolarHBondContact O-N 3.45Å; R169-A172 WeakPolarHBondContact O-CB 3.32Å; R169-A172 PolarHBondContact O-N 3.26Å; R169-A173 WeakPolarHBondContact O-CB 3.33Å; R169-A173 PolarHBondContact O-N 2.76Å; R169-F199 HydrophobicContact CB-CD2 3.97Å; R169-F199 HydrophobicContact CB-CE2 4.12Å; R169-F199 HydrophobicContact CG-CD2 4.15Å; R169-F199 WeakPolarHBondContact O-CE2 3.16Å; R169-E202 IonicContact CZ-OE1 3.54Å; R169-E202 IonicContact CZ-OE2 3.6Å; R169-E202 VanDerWaalsContact CZ-OE2 3.3Å; R169-E202 IonicContact NE-OE1 2.99Å; R169-E202 IonicContact NE-OE2 2.62Å; R169-E202 PolarHBondContact NE-OE2 3.28Å; R169-E202 VanDerWaalsContact NH2-CD 3.32Å; R169-E202 IonicContact NH2-OE1 3.73Å; R169-E202 PolarHBondContact NH2-OE1 2.97Å; R169-E202 IonicContact NH2-OE2 2.77Å; R169-E202 PolarHBondContact NH2-OE2 3.12Å; R169-L206 HydrophobicContact CB-CD1 4Å; R169-L206 HydrophobicContact CB-CD2 4.44Å
170	L	95.5	Very high	93.4	Very high	38 Å²	38	61.2 Å²	61.2	20%	0.199	28%	0.275	C	S	.	.	H	α-helix	trans	-62.5	-41.9	174.8	-165.2	74.7	0	0	0	112.2	R166 E167 G168 Y174 L206 D209 L210	R166-L170 WeakPolarHBondContact O-CB 3.31Å; R166-L170 PolarHBondContact O-N 2.87Å; E167-L170 WeakPolarHBondContact O-CB 3.08Å; E167-L170 PolarHBondContact O-N 3.14Å; G168-L170 VanDerWaalsContact C-N 3.33Å; G168-L170 PolarHBondContact O-N 2.87Å; L170-Y174 WeakPolarHBondContact O-CB 3.44Å; L170-Y174 PolarHBondContact O-N 3.35Å; L170-Y174 VanDerWaalsContact O-N 3.08Å; L170-L206 HydrophobicContact CB-CD2 4.17Å; L170-L206 HydrophobicContact CD1-CB 4.27Å; L170-L206 HydrophobicContact CD1-CD2 3.82Å; L170-L206 WeakPolarHBondContact CD1-O 3.31Å; L170-D209 HydrophobicContact CD1-CB 3.86Å; L170-L210 HydrophobicContact CD1-CD2 4.03Å; L170-L210 HydrophobicContact CD1-CG 3.77Å; L170-L210 HydrophobicContact CD2-CD2 4.5Å; L170-L210 HydrophobicContact CG-CD2 3.9Å; L170-L210 HydrophobicContact CG-CG 4.2Å
171	R	95.6	Very high	93.7	Very high	88 Å²	88	60.3 Å²	60.3	33%	0.332	27%	0.268	S	S	.	.	H	α-helix	trans	-63.5	-44.4	172.4	-73.2	-170.4	-76.9	143.4	-7.5	112	V130 D162 E167 G168 R169 Y174 N175	V130-R171 HydrophobicContact CG1-CB 4.46Å; D162-R171 IonicContact OD2-CZ 3.93Å; D162-R171 IonicContact OD2-NH1 2.73Å; D162-R171 IonicContact OD2-NH2 3.06Å; D162-R171 PolarHBondContact OD2-NH2 3.29Å; E167-R171 PolarHBondContact O-N 3.03Å; G168-R171 PolarHBondContact O-N 2.75Å; R169-R171 PolarHBondContact O-N 3.45Å; R171-Y174 WeakPolarHBondContact O-CB 3.47Å; R171-Y174 PolarHBondContact O-N 2.92Å; R171-N175 VanDerWaalsContact O-CG 3.24Å; R171-N175 PolarHBondContact O-N 2.94Å; R171-N175 PolarHBondContact O-ND2 3.13Å
172	A	95.9	Very high	93.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.4	-44.7	176.5	0	0	0	0	0	112.8	L129 V130 F163 G168 R169 N175 L176 F199	L129-A172 HydrophobicContact CB-CB 4.49Å; L129-A172 HydrophobicContact CD2-CB 3.92Å; L129-A172 HydrophobicContact CG-CB 3.82Å; L129-A172 WeakPolarHBondContact O-CA 3.38Å; V130-A172 HydrophobicContact CG2-CB 4.23Å; F163-A172 HydrophobicContact CD2-CB 4.1Å; F163-A172 HydrophobicContact CE2-CB 3.73Å; G168-A172 PolarHBondContact O-N 3.2Å; R169-A172 WeakPolarHBondContact O-CB 3.32Å; R169-A172 PolarHBondContact O-N 3.26Å; A172-N175 PolarHBondContact O-N 2.82Å; A172-L176 WeakPolarHBondContact O-CG 3.44Å; A172-L176 PolarHBondContact O-N 2.83Å; A172-L176 VanDerWaalsContact O-N 3.13Å; A172-F199 HydrophobicContact CB-CE2 4.14Å; A172-F199 HydrophobicContact CB-CZ 3.95Å
173	A	95.9	Very high	94.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.6	-46.7	176.2	0	0	0	0	0	111.5	R169 N175 L176 V177 F199 W203 L206 L210	R169-A173 WeakPolarHBondContact O-CB 3.33Å; R169-A173 PolarHBondContact O-N 2.76Å; A173-N175 VanDerWaalsContact C-N 3.33Å; A173-N175 PolarHBondContact O-N 2.75Å; A173-L176 PolarHBondContact O-N 3.4Å; A173-V177 VanDerWaalsContact O-CG2 3.26Å; A173-V177 WeakPolarHBondContact O-CG2 3.35Å; A173-V177 PolarHBondContact O-N 3.28Å; A173-F199 HydrophobicContact CB-CE2 4.17Å; A173-F199 HydrophobicContact CB-CZ 4.22Å; A173-W203 HydrophobicContact CB-CE3 4.21Å; A173-W203 HydrophobicContact CB-CH2 4.23Å; A173-W203 HydrophobicContact CB-CZ3 3.67Å; A173-L206 HydrophobicContact CB-CB 4.21Å; A173-L206 HydrophobicContact CB-CD1 4.4Å; A173-L210 HydrophobicContact CB-CD1 4.12Å
174	Y	96	Very high	94.5	Very high	85 Å²	85	50 Å²	50	33%	0.333	22%	0.223	S	C	.	.	H	α-helix	trans	-55.1	-46.7	174.7	172.9	-95.7	0	0	0	112.4	L170 R171 L176 V177 K178 L210 K215 I216	L170-Y174 WeakPolarHBondContact O-CB 3.44Å; L170-Y174 PolarHBondContact O-N 3.35Å; L170-Y174 VanDerWaalsContact O-N 3.08Å; R171-Y174 WeakPolarHBondContact O-CB 3.47Å; R171-Y174 PolarHBondContact O-N 2.92Å; Y174-L176 VanDerWaalsContact C-N 3.33Å; Y174-L176 PolarHBondContact O-N 2.93Å; Y174-V177 PolarHBondContact O-N 2.79Å; Y174-K178 HydrophobicContact CD1-CG 4.49Å; Y174-K178 HydrophobicContact CD2-CG 4.19Å; Y174-K178 HydrophobicContact CE1-CG 4.12Å; Y174-K178 HydrophobicContact CE2-CD 4.24Å; Y174-K178 HydrophobicContact CE2-CG 3.81Å; Y174-K178 WeakPolarHBondContact O-CB 3.41Å; Y174-K178 WeakPolarHBondContact O-CG 3.3Å; Y174-K178 PolarHBondContact O-N 2.94Å; Y174-L210 HydrophobicContact CD2-CD2 4.29Å; Y174-K215 HydrophobicContact CD2-CB 4Å; Y174-K215 HydrophobicContact CE2-CB 3.99Å; Y174-K215 WeakPolarHBondContact CE2-O 3.41Å; Y174-I216 HydrophobicContact CD2-CG2 4.07Å
175	N	96.4	Very high	94.9	Very high	24 Å²	24	40.3 Å²	40.3	13%	0.128	19%	0.186	C	C	.	.	H	α-helix	trans	-63.2	-35.9	-179.7	-70	-28.7	0	0	0	113.2	L129 V130 G132 I136 R171 A172 A173 R179	L129-N175 PolarHBondContact O-ND2 3.44Å; V130-N175 PolarHBondContact O-ND2 3.36Å; G132-N175 VanDerWaalsContact CA-ND2 3.3Å; G132-N175 WeakPolarHBondContact CA-ND2 3.4Å; G132-N175 PolarHBondContact N-ND2 3.02Å; I136-N175 HydrophobicContact CD1-CB 3.98Å; R171-N175 VanDerWaalsContact O-CG 3.24Å; R171-N175 PolarHBondContact O-N 2.94Å; R171-N175 PolarHBondContact O-ND2 3.13Å; A172-N175 PolarHBondContact O-N 2.82Å; A173-N175 VanDerWaalsContact C-N 3.33Å; A173-N175 PolarHBondContact O-N 2.75Å; N175-R179 WeakPolarHBondContact O-CD 3.37Å; N175-R179 WeakPolarHBondContact O-CG 3.44Å
176	L	95.7	Very high	95	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-71.8	-48.4	175.7	-72.8	172.7	0	0	0	111.8	A90 L129 A172 A173 Y174 K178 R179 G180 I181 F199 W203	A90-L176 HydrophobicContact CB-CD2 4.31Å; L129-L176 HydrophobicContact CD1-CD1 4.14Å; L129-L176 HydrophobicContact CD1-CD2 3.82Å; L129-L176 HydrophobicContact CD1-CG 3.94Å; A172-L176 WeakPolarHBondContact O-CG 3.44Å; A172-L176 PolarHBondContact O-N 2.83Å; A172-L176 VanDerWaalsContact O-N 3.13Å; A173-L176 PolarHBondContact O-N 3.4Å; Y174-L176 VanDerWaalsContact C-N 3.33Å; Y174-L176 PolarHBondContact O-N 2.93Å; L176-K178 PolarHBondContact O-N 3.43Å; L176-R179 CarbonylContact O-C 3.57Å; L176-R179 PolarHBondContact O-N 2.95Å; L176-G180 PolarHBondContact O-N 3.18Å; L176-I181 HydrophobicContact CB-CB 4.38Å; L176-I181 HydrophobicContact CD2-CB 3.75Å; L176-I181 HydrophobicContact CD2-CD1 4.02Å; L176-I181 HydrophobicContact CD2-CG1 4.5Å; L176-I181 HydrophobicContact CD2-CG2 3.64Å; L176-I181 PolarHBondContact O-N 2.95Å; L176-F199 HydrophobicContact CD1-CE1 3.73Å; L176-F199 HydrophobicContact CD1-CZ 3.98Å; L176-W203 HydrophobicContact CB-CH2 4.1Å; L176-W203 HydrophobicContact CD1-CH2 4.17Å; L176-W203 HydrophobicContact CD1-CZ3 4.09Å
177	V	94.7	Very high	95.2	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.03	14%	0.141	C	C	.	.	H	α-helix	trans	-59.3	-45.9	-179.8	171.9	0	0	0	0	111.2	A173 Y174 R179 G180 W203 L207 I216 E220	A173-V177 VanDerWaalsContact O-CG2 3.26Å; A173-V177 WeakPolarHBondContact O-CG2 3.35Å; A173-V177 PolarHBondContact O-N 3.28Å; Y174-V177 PolarHBondContact O-N 2.79Å; V177-R179 PolarHBondContact O-N 2.82Å; V177-G180 PolarHBondContact O-N 3.2Å; V177-W203 HydrophobicContact CG2-CH2 4.05Å; V177-W203 HydrophobicContact CG2-CZ2 3.98Å; V177-L207 HydrophobicContact CG2-CD2 3.54Å; V177-I216 HydrophobicContact CB-CG2 4.5Å; V177-I216 HydrophobicContact CG1-CB 4.34Å; V177-I216 HydrophobicContact CG1-CD1 4.37Å; V177-I216 HydrophobicContact CG1-CG2 3.89Å; V177-E220 HydrophobicContact CG1-CB 3.83Å
178	K	93.7	Very high	95.2	Very high	83 Å²	83	23 Å²	23	36%	0.361	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-9.3	177.1	-69.6	-55.4	-173.2	-170.6	0	114.7	Y174 L176 K215 E220	Y174-K178 HydrophobicContact CD1-CG 4.49Å; Y174-K178 HydrophobicContact CD2-CG 4.19Å; Y174-K178 HydrophobicContact CE1-CG 4.12Å; Y174-K178 HydrophobicContact CE2-CD 4.24Å; Y174-K178 HydrophobicContact CE2-CG 3.81Å; Y174-K178 WeakPolarHBondContact O-CB 3.41Å; Y174-K178 WeakPolarHBondContact O-CG 3.3Å; Y174-K178 PolarHBondContact O-N 2.94Å; L176-K178 PolarHBondContact O-N 3.43Å; K178-K215 WeakPolarHBondContact CE-O 3.36Å; K178-K215 PolarHBondContact NZ-O 3.35Å; K178-E220 VanDerWaalsContact CD-OE1 3.32Å; K178-E220 WeakPolarHBondContact CD-OE1 3.37Å; K178-E220 IonicContact NZ-OE1 3.7Å; K178-E220 PolarHBondContact NZ-OE1 3.46Å; K178-E220 IonicContact NZ-OE2 3.43Å; K178-E220 PolarHBondContact NZ-OE2 2.79Å
179	R	93.5	Very high	95	Very high	70 Å²	70	23.4 Å²	23.4	26%	0.264	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-0.8	175.5	-67.7	170.7	173.1	-109.2	6	113.1	G133 I136 N175 L176 V177 I181	G133-R179 PolarHBondContact O-NH2 3.12Å; I136-R179 PolarHBondContact O-NH1 3.37Å; I136-R179 PolarHBondContact O-NH2 2.97Å; N175-R179 WeakPolarHBondContact O-CD 3.37Å; N175-R179 WeakPolarHBondContact O-CG 3.44Å; L176-R179 CarbonylContact O-C 3.57Å; L176-R179 PolarHBondContact O-N 2.95Å; V177-R179 PolarHBondContact O-N 2.82Å; R179-I181 VanDerWaalsContact C-N 3.27Å; R179-I181 HydrophobicContact CB-CD1 3.62Å; R179-I181 HydrophobicContact CB-CG1 3.76Å; R179-I181 HydrophobicContact CG-CD1 4.45Å; R179-I181 PolarHBondContact O-N 2.72Å
180	G	92.9	Very high	94.6	Very high	38 Å²	38	24.3 Å²	24.3	39%	0.392	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	23.6	-174.4	0	0	0	0	0	113.8	L176 V177 T182	L176-G180 PolarHBondContact O-N 3.18Å; V177-G180 PolarHBondContact O-N 3.2Å; G180-T182 PolarHBondContact O-N 3.45Å
181	I	95.2	Very high	94.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.134	C	C	.	.			trans	-87.8	109.6	-176	-57.4	166.5	0	0	0	109.7	A88 A90 F120 I136 L176 R179	A88-I181 HydrophobicContact CB-CG1 4.07Å; A90-I181 HydrophobicContact CB-CD1 4.43Å; A90-I181 HydrophobicContact CB-CG2 3.7Å; F120-I181 HydrophobicContact CB-CD1 4.13Å; F120-I181 HydrophobicContact CD1-CD1 4.29Å; F120-I181 HydrophobicContact CD2-CD1 3.66Å; F120-I181 HydrophobicContact CD2-CG1 3.82Å; F120-I181 HydrophobicContact CE2-CD1 4.1Å; F120-I181 HydrophobicContact CE2-CG1 3.96Å; F120-I181 HydrophobicContact CG-CD1 3.77Å; F120-I181 HydrophobicContact CG-CG1 4.44Å; I136-I181 HydrophobicContact CG2-CD1 4.15Å; L176-I181 HydrophobicContact CB-CB 4.38Å; L176-I181 HydrophobicContact CD2-CB 3.75Å; L176-I181 HydrophobicContact CD2-CD1 4.02Å; L176-I181 HydrophobicContact CD2-CG1 4.5Å; L176-I181 HydrophobicContact CD2-CG2 3.64Å; L176-I181 PolarHBondContact O-N 2.95Å; R179-I181 VanDerWaalsContact C-N 3.27Å; R179-I181 HydrophobicContact CB-CD1 3.62Å; R179-I181 HydrophobicContact CB-CG1 3.76Å; R179-I181 HydrophobicContact CG-CD1 4.45Å; R179-I181 PolarHBondContact O-N 2.72Å
182	T	93.1	Very high	93.9	Very high	20 Å²	20	21.2 Å²	21.2	12%	0.123	12%	0.123	C	C	.	.			trans	-112.4	-0.6	179.1	53.4	0	0	0	0	113.6	G180 N228	G180-T182 PolarHBondContact O-N 3.45Å; T182-N228 PolarHBondContact O-N 2.98Å
183	N	95.9	Very high	93.6	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.016	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.6	-178.9	-57	-87.1	0	0	0	109.5	A88 I89 A90 N228 L395	A88-N183 WeakPolarHBondContact O-CB 3.49Å; A88-N183 PolarHBondContact O-N 3.48Å; A88-N183 PolarHBondContact O-ND2 3Å; A88-N183 VanDerWaalsContact O-ND2 3.08Å; I89-N183 CarbonylContact C-O 3.52Å; I89-N183 WeakPolarHBondContact CA-O 3.3Å; I89-N183 HydrophobicContact CB-CB 4.37Å; I89-N183 HydrophobicContact CG1-CB 3.85Å; A90-N183 PolarHBondContact N-O 3.42Å; N183-N228 CarbonylContact C-O 3.55Å; N183-N228 WeakPolarHBondContact CA-O 3.38Å; N183-N228 WeakPolarHBondContact OD1-CB 3.4Å; N183-N228 PolarHBondContact OD1-ND2 3.16Å; N183-N228 VanDerWaalsContact OD1-ND2 3.16Å; N183-L395 HydrophobicContact CB-CB 4.23Å; N183-L395 HydrophobicContact CB-CD1 4.28Å; N183-L395 HydrophobicContact CB-CD2 4.04Å; N183-L395 HydrophobicContact CB-CG 4.41Å; N183-L395 PolarHBondContact OD1-O 3.03Å; N183-L395 VanDerWaalsContact OD1-O 3.09Å
184	L	96.8	Very high	93.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	116.8	-175.6	-175.6	65.7	0	0	0	111.3	A90 L92 V186 F199 L227 N228 I229 V230	A90-L184 HydrophobicContact CB-CD1 3.66Å; L92-L184 HydrophobicContact CD2-CD1 4.15Å; L184-V186 HydrophobicContact CD2-CG2 3.96Å; L184-V186 HydrophobicContact CG-CG2 3.87Å; L184-F199 HydrophobicContact CD2-CD1 4.43Å; L184-F199 HydrophobicContact CD2-CE1 4.48Å; L184-L227 HydrophobicContact CB-CD1 4.37Å; L184-N228 PolarHBondContact N-O 2.77Å; L184-I229 HydrophobicContact CB-CG1 4.34Å; L184-I229 HydrophobicContact CD2-CD1 4.31Å; L184-I229 WeakPolarHBondContact O-CA 3.32Å; L184-V230 PolarHBondContact O-N 3.25Å
185	C	97.4	Very high	93	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	114.9	170.7	-174.4	0	0	0	0	109.7	A90 V91 L92 V108 V230 L395	A90-C185 PolarHBondContact O-N 3Å; V91-C185 WeakPolarHBondContact CA-O 3.43Å; V91-C185 HydrophobicContact CB-CB 4.31Å; V91-C185 HydrophobicContact CG2-CB 4.16Å; L92-C185 PolarHBondContact N-O 2.88Å; V108-C185 HydrophobicContact CG1-CB 4.25Å; C185-V230 WeakPolarHBondContact CA-O 3.43Å; C185-L395 HydrophobicContact CB-CD1 4.04Å
186	V	96.9	Very high	92.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	115.9	179.9	179.6	0	0	0	0	109.5	L92 L184 L193 A196 V230 G231 L232	L92-V186 HydrophobicContact CD1-CG1 3.93Å; L92-V186 HydrophobicContact CD1-CG2 4.46Å; L92-V186 HydrophobicContact CD2-CG2 4.47Å; L92-V186 HydrophobicContact CG-CG2 4.26Å; L184-V186 HydrophobicContact CD2-CG2 3.96Å; L184-V186 HydrophobicContact CG-CG2 3.87Å; V186-L193 HydrophobicContact CB-CD2 4.39Å; V186-L193 HydrophobicContact CG1-CD2 4.2Å; V186-A196 HydrophobicContact CB-CB 4.33Å; V186-A196 HydrophobicContact CG1-CB 4.46Å; V186-A196 HydrophobicContact CG2-CB 3.84Å; V186-V230 PolarHBondContact N-O 3.17Å; V186-G231 CarbonylContact O-C 3.59Å; V186-G231 WeakPolarHBondContact O-CA 3.3Å; V186-L232 PolarHBondContact O-N 3.36Å
187	I	96.6	Very high	92.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	113.9	179.7	-48.6	-179.9	0	0	0	108.6	V91 L92 T93 S94 M101 A104 V105 L232	V91-I187 HydrophobicContact CG2-CD1 3.71Å; V91-I187 HydrophobicContact CG2-CG1 4.23Å; L92-I187 PolarHBondContact O-N 3.38Å; T93-I187 CarbonylContact C-O 3.6Å; T93-I187 VanDerWaalsContact CA-O 3.27Å; T93-I187 WeakPolarHBondContact CA-O 3.47Å; T93-I187 HydrophobicContact CG2-CB 3.9Å; T93-I187 HydrophobicContact CG2-CD1 4.49Å; T93-I187 HydrophobicContact CG2-CG2 4.2Å; S94-I187 PolarHBondContact N-O 2.98Å; M101-I187 HydrophobicContact CB-CG2 4.4Å; M101-I187 HydrophobicContact CG-CG2 3.97Å; A104-I187 HydrophobicContact CB-CD1 3.85Å; V105-I187 HydrophobicContact CG2-CD1 3.66Å; I187-L232 WeakPolarHBondContact CA-O 3.28Å; I187-L232 HydrophobicContact CB-CB 4.41Å; I187-L232 HydrophobicContact CD1-CD1 4.25Å; I187-L232 HydrophobicContact CG1-CB 4.12Å; I187-L232 HydrophobicContact CG1-CD1 4.13Å; I187-L232 HydrophobicContact CG1-CG 4.44Å; I187-L232 HydrophobicContact CG2-CB 4.21Å
188	G	93.1	Very high	92.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174	-168.7	-176.2	0	0	0	0	0	115.1	S94 L232 V233 G234	S94-G188 WeakPolarHBondContact O-CA 3.49Å; G188-L232 PolarHBondContact N-O 2.85Å; G188-V233 WeakPolarHBondContact O-CA 3.38Å; G188-G234 CarbonylContact C-O 3.46Å; G188-G234 PolarHBondContact O-N 3.23Å
189	G	89.9	Confident	92.2	Very high	9 Å²	9	18.3 Å²	18.3	9%	0.093	13%	0.125	C	C	.	.			trans	-81.4	174.7	175.7	0	0	0	0	0	114.2	G191 S192 L193 G234	G189-G191 VanDerWaalsContact C-N 3.31Å; G189-G191 PolarHBondContact O-N 3.22Å; G189-S192 WeakPolarHBondContact O-CB 3.3Å; G189-S192 PolarHBondContact O-N 3.33Å; G189-L193 PolarHBondContact O-N 3.36Å; G189-L193 VanDerWaalsContact O-N 3.12Å; G189-G234 PolarHBondContact N-O 2.96Å
190	D	85.4	Confident	92.2	Very high	48 Å²	48	17.2 Å²	17.2	26%	0.257	12%	0.121	S	C	.	.	H	α-helix	trans	-39.8	-49.1	176.4	67.3	-53	0	0	0	114.9	S192 L193 T194 F240 R281	D190-S192 VanDerWaalsContact C-N 3.34Å; D190-S192 PolarHBondContact O-N 3.05Å; D190-L193 PolarHBondContact O-N 2.9Å; D190-T194 PolarHBondContact O-N 3.02Å; D190-T194 PolarHBondContact O-OG1 3.04Å; D190-F240 HydrophobicContact CB-CD2 4.2Å; D190-R281 IonicContact OD1-CZ 3.63Å; D190-R281 IonicContact OD1-NH1 2.7Å; D190-R281 PolarHBondContact OD1-NH1 3.23Å; D190-R281 IonicContact OD1-NH2 3.02Å; D190-R281 IonicContact OD2-NH1 3.55Å
191	G	86.3	Confident	92	Very high	48 Å²	48	19.4 Å²	19.4	50%	0.495	13%	0.13	S	C	.	.	H	α-helix	trans	-67.9	-31.7	-178.9	0	0	0	0	0	113.7	G189 G195	G189-G191 VanDerWaalsContact C-N 3.31Å; G189-G191 PolarHBondContact O-N 3.22Å; G191-G195 PolarHBondContact O-N 3.01Å; G191-G195 VanDerWaalsContact O-N 3.17Å
192	S	90.8	Very high	92	Very high	12 Å²	12	21.2 Å²	21.2	8%	0.084	14%	0.139	C	C	.	.	H	α-helix	trans	-73.4	-42.4	175.8	-60.1	0	0	0	0	110.8	S94 Y126 G189 D190 T194 G195 A196	S94-S192 VanDerWaalsContact C-OG 3.31Å; S94-S192 VanDerWaalsContact CB-OG 3.31Å; S94-S192 WeakPolarHBondContact CB-OG 3.46Å; S94-S192 PolarHBondContact O-OG 3.45Å; S94-S192 PolarHBondContact OG-OG 3.02Å; Y126-S192 PolarHBondContact OH-O 2.93Å; G189-S192 WeakPolarHBondContact O-CB 3.3Å; G189-S192 PolarHBondContact O-N 3.33Å; D190-S192 VanDerWaalsContact C-N 3.34Å; D190-S192 PolarHBondContact O-N 3.05Å; S192-T194 VanDerWaalsContact C-N 3.34Å; S192-T194 PolarHBondContact O-N 2.84Å; S192-G195 PolarHBondContact O-N 2.84Å; S192-A196 PolarHBondContact O-N 3.5Å
193	L	90.3	Very high	92	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63	-40.1	177	-62.5	179.3	0	0	0	111.9	V186 G189 D190 G195 A196 D197 G231 V233 F240 V406 L419	V186-L193 HydrophobicContact CB-CD2 4.39Å; V186-L193 HydrophobicContact CG1-CD2 4.2Å; G189-L193 PolarHBondContact O-N 3.36Å; G189-L193 VanDerWaalsContact O-N 3.12Å; D190-L193 PolarHBondContact O-N 2.9Å; L193-G195 PolarHBondContact O-N 3.37Å; L193-A196 WeakPolarHBondContact O-CB 3.26Å; L193-A196 PolarHBondContact O-N 3.46Å; L193-D197 PolarHBondContact O-N 3.21Å; L193-D197 VanDerWaalsContact O-N 3.15Å; L193-G231 VanDerWaalsContact CD2-CA 3.44Å; L193-V233 HydrophobicContact CD1-CG2 4.04Å; L193-F240 HydrophobicContact CD1-CD2 4.37Å; L193-F240 HydrophobicContact CD1-CE2 3.73Å; L193-F240 HydrophobicContact CD1-CZ 3.92Å; L193-V406 HydrophobicContact CD1-CG2 4.05Å; L193-L419 HydrophobicContact CB-CD1 4.16Å; L193-L419 HydrophobicContact CB-CG 4.42Å
194	T	87.9	Confident	91.8	Very high	32 Å²	32	23.9 Å²	23.9	20%	0.196	16%	0.158	C	C	.	.	H	α-helix	trans	-62.1	-42	173.7	-51.9	0	0	0	0	112	D190 S192 A196 D197 T198 V423	D190-T194 PolarHBondContact O-N 3.02Å; D190-T194 PolarHBondContact O-OG1 3.04Å; S192-T194 VanDerWaalsContact C-N 3.34Å; S192-T194 PolarHBondContact O-N 2.84Å; T194-A196 VanDerWaalsContact C-N 3.32Å; T194-A196 PolarHBondContact O-N 3Å; T194-D197 PolarHBondContact O-N 3.31Å; T194-T198 PolarHBondContact O-N 2.8Å; T194-T198 VanDerWaalsContact O-N 3.13Å; T194-T198 PolarHBondContact O-OG1 3.23Å; T194-T198 VanDerWaalsContact O-OG1 3.07Å; T194-V423 HydrophobicContact CG2-CG1 4.46Å; T194-V423 WeakPolarHBondContact OG1-CG1 3.14Å
195	G	89.8	Confident	91.6	Very high	21 Å²	21	27.9 Å²	27.9	22%	0.216	18%	0.179	C	C	.	.	H	α-helix	trans	-65.9	-32.7	176.1	0	0	0	0	0	113.3	G191 S192 L193 F199	G191-G195 PolarHBondContact O-N 3.01Å; G191-G195 VanDerWaalsContact O-N 3.17Å; S192-G195 PolarHBondContact O-N 2.84Å; L193-G195 PolarHBondContact O-N 3.37Å; G195-F199 WeakPolarHBondContact O-CB 3.46Å; G195-F199 PolarHBondContact O-N 2.94Å; G195-F199 VanDerWaalsContact O-N 3.13Å
196	A	91.4	Very high	91.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.4	-50.2	173.3	0	0	0	0	0	111.3	Y126 V186 S192 L193 T194 T198 F199 R200 I229	Y126-A196 WeakPolarHBondContact OH-CA 3.37Å; Y126-A196 WeakPolarHBondContact OH-CB 3.44Å; Y126-A196 PolarHBondContact OH-N 2.84Å; V186-A196 HydrophobicContact CB-CB 4.33Å; V186-A196 HydrophobicContact CG1-CB 4.46Å; V186-A196 HydrophobicContact CG2-CB 3.84Å; S192-A196 PolarHBondContact O-N 3.5Å; L193-A196 WeakPolarHBondContact O-CB 3.26Å; L193-A196 PolarHBondContact O-N 3.46Å; T194-A196 VanDerWaalsContact C-N 3.32Å; T194-A196 PolarHBondContact O-N 3Å; A196-T198 PolarHBondContact O-N 2.85Å; A196-F199 WeakPolarHBondContact O-CB 3.32Å; A196-F199 PolarHBondContact O-N 3.45Å; A196-F199 VanDerWaalsContact O-N 3.16Å; A196-R200 PolarHBondContact O-N 3.46Å; A196-I229 HydrophobicContact CB-CD1 4.03Å; A196-I229 HydrophobicContact CB-CG2 3.88Å; A196-I229 WeakPolarHBondContact O-CD1 3.49Å
197	D	89.2	Confident	91.2	Very high	23 Å²	23	28.3 Å²	28.3	12%	0.123	18%	0.181	C	C	.	.	H	α-helix	trans	-60.9	-45.2	-179.8	-168.3	77.9	0	0	0	112.2	L193 T194 F199 R200 S201 A404 L419 M420	L193-D197 PolarHBondContact O-N 3.21Å; L193-D197 VanDerWaalsContact O-N 3.15Å; T194-D197 PolarHBondContact O-N 3.31Å; D197-F199 VanDerWaalsContact C-N 3.28Å; D197-F199 PolarHBondContact O-N 3.36Å; D197-R200 WeakPolarHBondContact O-CA 3.32Å; D197-R200 WeakPolarHBondContact O-CB 3.36Å; D197-R200 PolarHBondContact O-N 3.26Å; D197-S201 PolarHBondContact O-N 2.9Å; D197-S201 PolarHBondContact O-OG 2.92Å; D197-A404 WeakPolarHBondContact OD1-CB 3.49Å; D197-L419 HydrophobicContact CB-CD2 3.78Å; D197-M420 HydrophobicContact CB-CG 4.4Å; D197-M420 HydrophobicContact CB-SD 4.18Å; D197-M420 VanDerWaalsContact CG-CG 3.5Å; D197-M420 WeakPolarHBondContact OD2-CG 3.34Å; D197-M420 VanDerWaalsContact OD2-SD 3.36Å
198	T	91.1	Very high	91	Very high	60 Å²	60	29.1 Å²	29.1	37%	0.368	19%	0.19	S	C	.	.	H	α-helix	trans	-57.4	-42.2	174.8	-55.4	0	0	0	0	111.8	T194 A196 R200 S201 E202	T194-T198 PolarHBondContact O-N 2.8Å; T194-T198 VanDerWaalsContact O-N 3.13Å; T194-T198 PolarHBondContact O-OG1 3.23Å; T194-T198 VanDerWaalsContact O-OG1 3.07Å; A196-T198 PolarHBondContact O-N 2.85Å; T198-R200 VanDerWaalsContact C-N 3.31Å; T198-R200 PolarHBondContact O-N 2.74Å; T198-S201 PolarHBondContact O-N 2.88Å; T198-E202 PolarHBondContact O-N 3.01Å
199	F	93.9	Very high	91	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.5	-30.8	177.4	-178.2	-124	0	0	0	113.1	L129 F163 R169 A172 A173 L176 L184 G195 A196 D197 W203 L206 L227	L129-F199 HydrophobicContact CD2-CE1 4.29Å; F163-F199 HydrophobicContact CE1-CB 4.22Å; F163-F199 HydrophobicContact CE2-CD2 4.01Å; F163-F199 HydrophobicContact CE2-CE2 4.13Å; F163-F199 HydrophobicContact CE2-CG 4.21Å; F163-F199 HydrophobicContact CE2-CZ 4.43Å; F163-F199 HydrophobicContact CZ-CB 3.72Å; F163-F199 AromaticContact CZ-CD1 3.99Å; F163-F199 HydrophobicContact CZ-CD1 3.99Å; F163-F199 AromaticContact CZ-CD2 3.76Å; F163-F199 HydrophobicContact CZ-CD2 3.76Å; F163-F199 HydrophobicContact CZ-CE2 4.3Å; F163-F199 AromaticContact CZ-CG 3.56Å; F163-F199 HydrophobicContact CZ-CG 3.56Å; R169-F199 HydrophobicContact CB-CD2 3.97Å; R169-F199 HydrophobicContact CB-CE2 4.12Å; R169-F199 HydrophobicContact CG-CD2 4.15Å; R169-F199 WeakPolarHBondContact O-CE2 3.16Å; A172-F199 HydrophobicContact CB-CE2 4.14Å; A172-F199 HydrophobicContact CB-CZ 3.95Å; A173-F199 HydrophobicContact CB-CE2 4.17Å; A173-F199 HydrophobicContact CB-CZ 4.22Å; L176-F199 HydrophobicContact CD1-CE1 3.73Å; L176-F199 HydrophobicContact CD1-CZ 3.98Å; L184-F199 HydrophobicContact CD2-CD1 4.43Å; L184-F199 HydrophobicContact CD2-CE1 4.48Å; G195-F199 WeakPolarHBondContact O-CB 3.46Å; G195-F199 PolarHBondContact O-N 2.94Å; G195-F199 VanDerWaalsContact O-N 3.13Å; A196-F199 WeakPolarHBondContact O-CB 3.32Å; A196-F199 PolarHBondContact O-N 3.45Å; A196-F199 VanDerWaalsContact O-N 3.16Å; D197-F199 VanDerWaalsContact C-N 3.28Å; D197-F199 PolarHBondContact O-N 3.36Å; F199-W203 HydrophobicContact CE1-CE3 4.26Å; F199-W203 AromaticContact CE1-CZ3 3.95Å; F199-W203 HydrophobicContact CE1-CZ3 3.95Å; F199-W203 HydrophobicContact CE2-CE3 4.37Å; F199-W203 HydrophobicContact CE2-CZ3 4.31Å; F199-W203 HydrophobicContact CZ-CE3 4.04Å; F199-W203 AromaticContact CZ-CZ3 3.64Å; F199-W203 HydrophobicContact CZ-CZ3 3.64Å; F199-W203 PolarHBondContact O-N 2.9Å; F199-L206 HydrophobicContact CD2-CD1 3.94Å; F199-L206 HydrophobicContact CE2-CD1 3.89Å; F199-L227 HydrophobicContact CD1-CD2 3.7Å; F199-L227 HydrophobicContact CE1-CD2 3.77Å
200	R	91.7	Very high	91.1	Very high	48 Å²	48	31.1 Å²	31.1	18%	0.181	20%	0.199	C	C	.	.	H	α-helix	trans	-71.1	-45.4	172.1	-172.1	179.8	-171.2	-121.8	-1.8	112	A196 D197 T198 E202 W203 L227 I229 T402	A196-R200 PolarHBondContact O-N 3.46Å; D197-R200 WeakPolarHBondContact O-CA 3.32Å; D197-R200 WeakPolarHBondContact O-CB 3.36Å; D197-R200 PolarHBondContact O-N 3.26Å; T198-R200 VanDerWaalsContact C-N 3.31Å; T198-R200 PolarHBondContact O-N 2.74Å; R200-E202 VanDerWaalsContact C-N 3.31Å; R200-E202 PolarHBondContact O-N 3.39Å; R200-W203 WeakPolarHBondContact O-CB 3.44Å; R200-W203 PolarHBondContact O-N 2.72Å; R200-W203 VanDerWaalsContact O-N 3.15Å; R200-L227 WeakPolarHBondContact CD-O 3.27Å; R200-L227 WeakPolarHBondContact CG-O 3.42Å; R200-L227 PolarHBondContact NE-O 2.82Å; R200-I229 HydrophobicContact CB-CD1 3.76Å; R200-I229 HydrophobicContact CB-CG1 4.22Å; R200-I229 HydrophobicContact CG-CG1 4.47Å; R200-T402 PolarHBondContact NH1-O 3.35Å; R200-T402 PolarHBondContact NH2-O 3.18Å
201	S	90.4	Very high	91.3	Very high	83 Å²	83	32.3 Å²	32.3	58%	0.58	20%	0.203	S	C	*	.	H	α-helix	trans	-63.3	-36.7	179.3	-57.6	0	0	0	0	112.5	D197 T198 W203	D197-S201 PolarHBondContact O-N 2.9Å; D197-S201 PolarHBondContact O-OG 2.92Å; T198-S201 PolarHBondContact O-N 2.88Å; S201-W203 VanDerWaalsContact C-N 3.3Å; S201-W203 PolarHBondContact O-N 2.61Å
202	E	93.4	Very high	91.5	Very high	38 Å²	38	38.2 Å²	38.2	18%	0.178	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-5.5	176.1	-68.3	-175.5	-173	0	0	113.9	R169 T198 R200 S204 D205 L206	R169-E202 IonicContact CZ-OE1 3.54Å; R169-E202 IonicContact CZ-OE2 3.6Å; R169-E202 VanDerWaalsContact CZ-OE2 3.3Å; R169-E202 IonicContact NE-OE1 2.99Å; R169-E202 IonicContact NE-OE2 2.62Å; R169-E202 PolarHBondContact NE-OE2 3.28Å; R169-E202 VanDerWaalsContact NH2-CD 3.32Å; R169-E202 IonicContact NH2-OE1 3.73Å; R169-E202 PolarHBondContact NH2-OE1 2.97Å; R169-E202 IonicContact NH2-OE2 2.77Å; R169-E202 PolarHBondContact NH2-OE2 3.12Å; T198-E202 PolarHBondContact O-N 3.01Å; R200-E202 VanDerWaalsContact C-N 3.31Å; R200-E202 PolarHBondContact O-N 3.39Å; E202-S204 PolarHBondContact O-N 2.99Å; E202-D205 PolarHBondContact O-N 2.89Å; E202-D205 VanDerWaalsContact O-N 3.1Å; E202-L206 HydrophobicContact CB-CD1 4.03Å; E202-L206 HydrophobicContact CB-CG 4.19Å; E202-L206 WeakPolarHBondContact O-CG 3.19Å; E202-L206 PolarHBondContact O-N 3.3Å
203	W	93.4	Very high	91.5	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.015	23%	0.234	C	C	.	.	H	α-helix	trans	-57.6	-45.7	-167	-175.6	-103.8	0	0	0	113.9	A173 L176 V177 F199 R200 S201 D205 L206 L207 S224 L227	A173-W203 HydrophobicContact CB-CE3 4.21Å; A173-W203 HydrophobicContact CB-CH2 4.23Å; A173-W203 HydrophobicContact CB-CZ3 3.67Å; L176-W203 HydrophobicContact CB-CH2 4.1Å; L176-W203 HydrophobicContact CD1-CH2 4.17Å; L176-W203 HydrophobicContact CD1-CZ3 4.09Å; V177-W203 HydrophobicContact CG2-CH2 4.05Å; V177-W203 HydrophobicContact CG2-CZ2 3.98Å; F199-W203 HydrophobicContact CE1-CE3 4.26Å; F199-W203 AromaticContact CE1-CZ3 3.95Å; F199-W203 HydrophobicContact CE1-CZ3 3.95Å; F199-W203 HydrophobicContact CE2-CE3 4.37Å; F199-W203 HydrophobicContact CE2-CZ3 4.31Å; F199-W203 HydrophobicContact CZ-CE3 4.04Å; F199-W203 AromaticContact CZ-CZ3 3.64Å; F199-W203 HydrophobicContact CZ-CZ3 3.64Å; F199-W203 PolarHBondContact O-N 2.9Å; R200-W203 WeakPolarHBondContact O-CB 3.44Å; R200-W203 PolarHBondContact O-N 2.72Å; R200-W203 VanDerWaalsContact O-N 3.15Å; S201-W203 VanDerWaalsContact C-N 3.3Å; S201-W203 PolarHBondContact O-N 2.61Å; W203-D205 VanDerWaalsContact C-N 3.29Å; W203-D205 PolarHBondContact O-N 3.28Å; W203-L206 PolarHBondContact O-N 3.3Å; W203-L207 HydrophobicContact CZ2-CD2 4.29Å; W203-L207 WeakPolarHBondContact O-CG 3.42Å; W203-L207 PolarHBondContact O-N 3.11Å; W203-S224 PolarHBondContact NE1-O 3.47Å; W203-L227 HydrophobicContact CB-CB 4.43Å; W203-L227 HydrophobicContact CD2-CB 3.67Å; W203-L227 HydrophobicContact CD2-CD2 4.18Å; W203-L227 HydrophobicContact CD2-CG 4.42Å; W203-L227 HydrophobicContact CE3-CB 4.12Å; W203-L227 HydrophobicContact CE3-CD2 3.74Å; W203-L227 HydrophobicContact CE3-CG 4.39Å; W203-L227 HydrophobicContact CG-CB 3.8Å; W203-L227 HydrophobicContact CH2-CD1 4.32Å; W203-L227 HydrophobicContact CZ2-CB 4.43Å; W203-L227 HydrophobicContact CZ2-CD1 4.47Å; W203-L227 HydrophobicContact CZ3-CD1 4.4Å; W203-L227 HydrophobicContact CZ3-CD2 4.04Å
204	S	91.7	Very high	91.5	Very high	75 Å²	75	43.7 Å²	43.7	52%	0.524	27%	0.267	S	S	.	.	H	α-helix	trans	-58.4	-41.7	177.7	50.1	0	0	0	0	112.4	E202 L207 G208	E202-S204 PolarHBondContact O-N 2.99Å; S204-L207 PolarHBondContact O-N 3.14Å; S204-G208 PolarHBondContact O-N 3.11Å
205	D	93.6	Very high	91.6	Very high	84 Å²	84	47.3 Å²	47.3	45%	0.449	28%	0.28	S	S	.	.	H	α-helix	trans	-73.8	-39.8	-177.1	-56	-5.3	0	0	0	110.6	R166 E202 W203 L207 G208 D209	R166-D205 VanDerWaalsContact NH2-CB 3.29Å; E202-D205 PolarHBondContact O-N 2.89Å; E202-D205 VanDerWaalsContact O-N 3.1Å; W203-D205 VanDerWaalsContact C-N 3.29Å; W203-D205 PolarHBondContact O-N 3.28Å; D205-L207 VanDerWaalsContact C-N 3.33Å; D205-L207 PolarHBondContact O-N 2.66Å; D205-G208 PolarHBondContact O-N 3.43Å; D205-D209 WeakPolarHBondContact O-CB 3.36Å; D205-D209 VanDerWaalsContact O-CG 3.26Å; D205-D209 PolarHBondContact O-N 3.23Å
206	L	93.9	Very high	91.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.2	-39.5	175.4	-66.3	172.6	0	0	0	111.4	R166 R169 L170 A173 F199 E202 W203 L210	R166-L206 HydrophobicContact CG-CD2 4Å; R169-L206 HydrophobicContact CB-CD1 4Å; R169-L206 HydrophobicContact CB-CD2 4.44Å; L170-L206 HydrophobicContact CB-CD2 4.17Å; L170-L206 HydrophobicContact CD1-CB 4.27Å; L170-L206 HydrophobicContact CD1-CD2 3.82Å; L170-L206 WeakPolarHBondContact CD1-O 3.31Å; A173-L206 HydrophobicContact CB-CB 4.21Å; A173-L206 HydrophobicContact CB-CD1 4.4Å; F199-L206 HydrophobicContact CD2-CD1 3.94Å; F199-L206 HydrophobicContact CE2-CD1 3.89Å; E202-L206 HydrophobicContact CB-CD1 4.03Å; E202-L206 HydrophobicContact CB-CG 4.19Å; E202-L206 WeakPolarHBondContact O-CG 3.19Å; E202-L206 PolarHBondContact O-N 3.3Å; W203-L206 PolarHBondContact O-N 3.3Å; L206-L210 WeakPolarHBondContact O-CB 3.34Å; L206-L210 VanDerWaalsContact O-CG 3.26Å; L206-L210 WeakPolarHBondContact O-CG 3.45Å; L206-L210 PolarHBondContact O-N 3.27Å
207	L	92.3	Very high	91.7	Very high	9 Å²	9	50.5 Å²	50.5	5%	0.047	30%	0.295	C	S	.	.	H	α-helix	trans	-63.9	-46.3	172.1	-70.2	-179.5	0	0	0	111.8	V177 W203 S204 D205 D209 L210 Q211 I216 S224	V177-L207 HydrophobicContact CG2-CD2 3.54Å; W203-L207 HydrophobicContact CZ2-CD2 4.29Å; W203-L207 WeakPolarHBondContact O-CG 3.42Å; W203-L207 PolarHBondContact O-N 3.11Å; S204-L207 PolarHBondContact O-N 3.14Å; D205-L207 VanDerWaalsContact C-N 3.33Å; D205-L207 PolarHBondContact O-N 2.66Å; L207-D209 VanDerWaalsContact C-N 3.29Å; L207-D209 PolarHBondContact O-N 3.07Å; L207-L210 PolarHBondContact O-N 2.91Å; L207-L210 VanDerWaalsContact O-N 3.14Å; L207-Q211 PolarHBondContact O-N 3.1Å; L207-I216 HydrophobicContact CD2-CD1 3.8Å; L207-S224 WeakPolarHBondContact CD1-O 3.25Å
208	G	91.4	Very high	91.7	Very high	18 Å²	18	54.7 Å²	54.7	19%	0.186	32%	0.318	C	S	.	.	H	α-helix	trans	-60.5	-38	177.4	0	0	0	0	0	112.9	S204 D205 K212	S204-G208 PolarHBondContact O-N 3.11Å; D205-G208 PolarHBondContact O-N 3.43Å; G208-K212 WeakPolarHBondContact O-CB 3.35Å; G208-K212 WeakPolarHBondContact O-CD 3.43Å; G208-K212 WeakPolarHBondContact O-CG 3.5Å; G208-K212 PolarHBondContact O-N 3.36Å
209	D	92.3	Very high	91.6	Very high	50 Å²	50	57.9 Å²	57.9	27%	0.267	33%	0.328	S	S	.	.	H	α-helix	trans	-69	-37.9	174.8	-69.2	-19.9	0	0	0	111.7	R166 L170 D205 L207 K212 A213	R166-D209 IonicContact CZ-OD2 3.85Å; R166-D209 IonicContact NE-OD2 3.65Å; R166-D209 IonicContact NH2-OD2 3.71Å; R166-D209 PolarHBondContact NH2-OD2 3.01Å; L170-D209 HydrophobicContact CD1-CB 3.86Å; D205-D209 WeakPolarHBondContact O-CB 3.36Å; D205-D209 VanDerWaalsContact O-CG 3.26Å; D205-D209 PolarHBondContact O-N 3.23Å; L207-D209 VanDerWaalsContact C-N 3.29Å; L207-D209 PolarHBondContact O-N 3.07Å; D209-K212 IonicContact OD1-NZ 3.9Å; D209-A213 VanDerWaalsContact O-CB 3.27Å; D209-A213 WeakPolarHBondContact O-CB 3.44Å; D209-A213 PolarHBondContact O-N 2.88Å
210	L	92.3	Very high	91.3	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-68.6	-36.9	174.4	-72.8	172.2	0	0	0	113.4	L170 A173 Y174 L206 L207 G214 K215 I216	L170-L210 HydrophobicContact CD1-CD2 4.03Å; L170-L210 HydrophobicContact CD1-CG 3.77Å; L170-L210 HydrophobicContact CD2-CD2 4.5Å; L170-L210 HydrophobicContact CG-CD2 3.9Å; L170-L210 HydrophobicContact CG-CG 4.2Å; A173-L210 HydrophobicContact CB-CD1 4.12Å; Y174-L210 HydrophobicContact CD2-CD2 4.29Å; L206-L210 WeakPolarHBondContact O-CB 3.34Å; L206-L210 VanDerWaalsContact O-CG 3.26Å; L206-L210 WeakPolarHBondContact O-CG 3.45Å; L206-L210 PolarHBondContact O-N 3.27Å; L207-L210 PolarHBondContact O-N 2.91Å; L207-L210 VanDerWaalsContact O-N 3.14Å; L210-G214 PolarHBondContact O-N 2.8Å; L210-K215 HydrophobicContact CD2-CB 4.07Å; L210-K215 HydrophobicContact CD2-CD 3.86Å; L210-K215 PolarHBondContact O-N 3.36Å; L210-I216 HydrophobicContact CB-CD1 3.69Å; L210-I216 HydrophobicContact CB-CG1 3.82Å; L210-I216 HydrophobicContact CB-CG2 4.27Å; L210-I216 HydrophobicContact CD1-CD1 4.37Å; L210-I216 HydrophobicContact CD1-CG2 4.43Å
211	Q	90.3	Very high	91.1	Very high	73 Å²	73	58.3 Å²	58.3	34%	0.341	33%	0.333	S	S	.	.	H	α-helix	trans	-65.6	-50.4	173.5	-78	178.5	-70.6	0	0	111	L207 A213 G214 I216 D218 A221	L207-Q211 PolarHBondContact O-N 3.1Å; Q211-A213 PolarHBondContact O-N 2.76Å; Q211-G214 PolarHBondContact O-N 2.99Å; Q211-I216 HydrophobicContact CG-CD1 4.06Å; Q211-I216 HydrophobicContact CG-CG1 3.83Å; Q211-D218 PolarHBondContact NE2-OD1 3.46Å; Q211-A221 VanDerWaalsContact CD-CB 3.49Å; Q211-A221 HydrophobicContact CG-CB 3.86Å
212	K	91.1	Very high	91	Very high	171 Å²	171	59 Å²	59	74%	0.743	33%	0.334	S	S	*	.	H	α-helix	trans	-57.7	-34.8	176.4	-70.2	165.3	-165	162.6	0	112.4	G208 D209 G214	G208-K212 WeakPolarHBondContact O-CB 3.35Å; G208-K212 WeakPolarHBondContact O-CD 3.43Å; G208-K212 WeakPolarHBondContact O-CG 3.5Å; G208-K212 PolarHBondContact O-N 3.36Å; D209-K212 IonicContact OD1-NZ 3.9Å; K212-G214 VanDerWaalsContact C-N 3.26Å; K212-G214 PolarHBondContact O-N 2.75Å
213	A	90.3	Very high	90.7	Very high	60 Å²	60	64 Å²	64	50%	0.496	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	0.7	176	0	0	0	0	0	114.3	D209 Q211 K215	D209-A213 VanDerWaalsContact O-CB 3.27Å; D209-A213 WeakPolarHBondContact O-CB 3.44Å; D209-A213 PolarHBondContact O-N 2.88Å; Q211-A213 PolarHBondContact O-N 2.76Å; A213-K215 HydrophobicContact CB-CD 4.39Å; A213-K215 HydrophobicContact CB-CG 4.17Å; A213-K215 PolarHBondContact O-N 2.72Å
214	G	89.3	Confident	90.5	Very high	67 Å²	67	63.9 Å²	63.9	69%	0.691	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	18.6	-179.3	0	0	0	0	0	114.7	L210 Q211 K212	L210-G214 PolarHBondContact O-N 2.8Å; Q211-G214 PolarHBondContact O-N 2.99Å; K212-G214 VanDerWaalsContact C-N 3.26Å; K212-G214 PolarHBondContact O-N 2.75Å
215	K	89.9	Confident	90.2	Very high	109 Å²	109	63.5 Å²	63.5	47%	0.474	35%	0.353	S	S	.	.	S	Bend	trans	-85.1	-28	-175.9	-69.9	-175	177.6	178.7	0	113	Y174 K178 L210 A213	Y174-K215 HydrophobicContact CD2-CB 4Å; Y174-K215 HydrophobicContact CE2-CB 3.99Å; Y174-K215 WeakPolarHBondContact CE2-O 3.41Å; K178-K215 WeakPolarHBondContact CE-O 3.36Å; K178-K215 PolarHBondContact NZ-O 3.35Å; L210-K215 HydrophobicContact CD2-CB 4.07Å; L210-K215 HydrophobicContact CD2-CD 3.86Å; L210-K215 PolarHBondContact O-N 3.36Å; A213-K215 HydrophobicContact CB-CD 4.39Å; A213-K215 HydrophobicContact CB-CG 4.17Å; A213-K215 PolarHBondContact O-N 2.72Å
216	I	92.4	Very high	90.1	Very high	11 Å²	11	63.5 Å²	63.5	6%	0.056	35%	0.347	C	S	.	.	S	Bend	trans	-126.3	152	177.3	67.2	178.5	0	0	0	110.5	Y174 V177 L207 L210 Q211 E220 A221	Y174-I216 HydrophobicContact CD2-CG2 4.07Å; V177-I216 HydrophobicContact CB-CG2 4.5Å; V177-I216 HydrophobicContact CG1-CB 4.34Å; V177-I216 HydrophobicContact CG1-CD1 4.37Å; V177-I216 HydrophobicContact CG1-CG2 3.89Å; L207-I216 HydrophobicContact CD2-CD1 3.8Å; L210-I216 HydrophobicContact CB-CD1 3.69Å; L210-I216 HydrophobicContact CB-CG1 3.82Å; L210-I216 HydrophobicContact CB-CG2 4.27Å; L210-I216 HydrophobicContact CD1-CD1 4.37Å; L210-I216 HydrophobicContact CD1-CG2 4.43Å; Q211-I216 HydrophobicContact CG-CD1 4.06Å; Q211-I216 HydrophobicContact CG-CG1 3.83Å; I216-E220 WeakPolarHBondContact CA-OE2 3.48Å; I216-E220 HydrophobicContact CB-CB 4.32Å; I216-E220 WeakPolarHBondContact CB-OE2 3.29Å; I216-A221 HydrophobicContact CD1-CB 3.99Å
217	T	91.4	Very high	90	Very high	76 Å²	76	63.7 Å²	63.7	47%	0.466	35%	0.348	S	S	.	.			trans	-84.7	161.6	175.3	67.7	0	0	0	0	111.4	E219 E220 A221	T217-E219 PolarHBondContact O-N 3.47Å; T217-E220 PolarHBondContact N-OE2 2.99Å; T217-E220 WeakPolarHBondContact O-CB 3.23Å; T217-E220 PolarHBondContact O-N 3.34Å; T217-E220 VanDerWaalsContact O-N 3.1Å; T217-E220 WeakPolarHBondContact OG1-CG 3.39Å; T217-E220 PolarHBondContact OG1-N 3.45Å; T217-A221 PolarHBondContact O-N 3.47Å
218	D	88.8	Confident	90.1	Very high	112 Å²	112	63.6 Å²	63.6	60%	0.599	35%	0.347	S	S	*	.	H	α-helix	trans	-63.6	-30.4	176.2	-61.7	-37.5	0	0	0	112.6	Q211 T222	Q211-D218 PolarHBondContact NE2-OD1 3.46Å; D218-T222 VanDerWaalsContact O-CB 3.27Å; D218-T222 WeakPolarHBondContact O-CB 3.43Å; D218-T222 PolarHBondContact O-N 3.48Å; D218-T222 PolarHBondContact O-OG1 3.43Å
219	E	89	Confident	90.2	Very high	127 Å²	127	63 Å²	63	59%	0.593	34%	0.34	S	S	*	.	H	α-helix	trans	-65.1	-44.8	170.1	-75.8	-167.1	-144.3	0	0	112.6	T217 T222 K223	T217-E219 PolarHBondContact O-N 3.47Å; E219-T222 PolarHBondContact O-N 2.79Å; E219-K223 VanDerWaalsContact O-CB 3.32Å; E219-K223 WeakPolarHBondContact O-CB 3.27Å; E219-K223 WeakPolarHBondContact O-CD 3.18Å; E219-K223 WeakPolarHBondContact O-CG 3.43Å; E219-K223 PolarHBondContact O-N 3.42Å; E219-K223 IonicContact OE2-NZ 2.72Å; E219-K223 PolarHBondContact OE2-NZ 2.77Å
220	E	89.4	Confident	90.3	Very high	50 Å²	50	60.8 Å²	60.8	23%	0.234	33%	0.328	C	S	.	.	H	α-helix	trans	-63.8	-42.5	178.2	-75.5	173.1	153.5	0	0	111	V177 K178 I216 T217 S224	V177-E220 HydrophobicContact CG1-CB 3.83Å; K178-E220 VanDerWaalsContact CD-OE1 3.32Å; K178-E220 WeakPolarHBondContact CD-OE1 3.37Å; K178-E220 IonicContact NZ-OE1 3.7Å; K178-E220 PolarHBondContact NZ-OE1 3.46Å; K178-E220 IonicContact NZ-OE2 3.43Å; K178-E220 PolarHBondContact NZ-OE2 2.79Å; I216-E220 WeakPolarHBondContact CA-OE2 3.48Å; I216-E220 HydrophobicContact CB-CB 4.32Å; I216-E220 WeakPolarHBondContact CB-OE2 3.29Å; T217-E220 PolarHBondContact N-OE2 2.99Å; T217-E220 WeakPolarHBondContact O-CB 3.23Å; T217-E220 PolarHBondContact O-N 3.34Å; T217-E220 VanDerWaalsContact O-N 3.1Å; T217-E220 WeakPolarHBondContact OG1-CG 3.39Å; T217-E220 PolarHBondContact OG1-N 3.45Å; E220-S224 VanDerWaalsContact O-CB 3.22Å; E220-S224 WeakPolarHBondContact O-CB 3.4Å; E220-S224 PolarHBondContact O-N 2.9Å; E220-S224 PolarHBondContact O-OG 2.87Å
221	A	87.1	Confident	90.5	Very high	6 Å²	6	60.7 Å²	60.7	5%	0.05	33%	0.328	C	S	.	.	H	α-helix	trans	-64.9	-43.3	175.8	0	0	0	0	0	112.1	Q211 I216 T217 S224 S225	Q211-A221 VanDerWaalsContact CD-CB 3.49Å; Q211-A221 HydrophobicContact CG-CB 3.86Å; I216-A221 HydrophobicContact CD1-CB 3.99Å; T217-A221 PolarHBondContact O-N 3.47Å; A221-S224 CarbonylContact O-C 3.51Å; A221-S224 PolarHBondContact O-N 2.65Å; A221-S225 WeakPolarHBondContact O-CA 3.27Å; A221-S225 PolarHBondContact O-N 3.15Å
222	T	87.4	Confident	90.7	Very high	98 Å²	98	57.2 Å²	57.2	60%	0.601	31%	0.311	S	S	*	.	H	α-helix	trans	-64.8	-47.1	177.7	-57.7	0	0	0	0	111.6	D218 E219 S224 S225	D218-T222 VanDerWaalsContact O-CB 3.27Å; D218-T222 WeakPolarHBondContact O-CB 3.43Å; D218-T222 PolarHBondContact O-N 3.48Å; D218-T222 PolarHBondContact O-OG1 3.43Å; E219-T222 PolarHBondContact O-N 2.79Å; T222-S224 PolarHBondContact O-N 3.13Å; T222-S225 VanDerWaalsContact O-CB 3.3Å; T222-S225 WeakPolarHBondContact O-CB 3.24Å; T222-S225 PolarHBondContact O-N 2.83Å; T222-S225 PolarHBondContact O-OG 2.89Å
223	K	86.8	Confident	90.9	Very high	143 Å²	143	49.2 Å²	49.2	62%	0.622	28%	0.277	S	S	*	.	H	α-helix	trans	-63.5	-26.2	176.6	-71.1	166.6	-168.3	162.8	0	112.6	E219	E219-K223 VanDerWaalsContact O-CB 3.32Å; E219-K223 WeakPolarHBondContact O-CB 3.27Å; E219-K223 WeakPolarHBondContact O-CD 3.18Å; E219-K223 WeakPolarHBondContact O-CG 3.43Å; E219-K223 PolarHBondContact O-N 3.42Å; E219-K223 IonicContact OE2-NZ 2.72Å; E219-K223 PolarHBondContact OE2-NZ 2.77Å
224	S	88.8	Confident	91.1	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.014	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	18	-179.1	-43.1	0	0	0	0	113.6	W203 L207 E220 A221 T222 Y226	W203-S224 PolarHBondContact NE1-O 3.47Å; L207-S224 WeakPolarHBondContact CD1-O 3.25Å; E220-S224 VanDerWaalsContact O-CB 3.22Å; E220-S224 WeakPolarHBondContact O-CB 3.4Å; E220-S224 PolarHBondContact O-N 2.9Å; E220-S224 PolarHBondContact O-OG 2.87Å; A221-S224 CarbonylContact O-C 3.51Å; A221-S224 PolarHBondContact O-N 2.65Å; T222-S224 PolarHBondContact O-N 3.13Å; S224-Y226 PolarHBondContact O-N 3.23Å
225	S	87.3	Confident	91.3	Very high	67 Å²	67	43.4 Å²	43.4	47%	0.469	22%	0.222	S	C	.	.	S	Bend	trans	-56	-22.5	-167.2	43.2	0	0	0	0	115.7	A221 T222	A221-S225 WeakPolarHBondContact O-CA 3.27Å; A221-S225 PolarHBondContact O-N 3.15Å; T222-S225 VanDerWaalsContact O-CB 3.3Å; T222-S225 WeakPolarHBondContact O-CB 3.24Å; T222-S225 PolarHBondContact O-N 2.83Å; T222-S225 PolarHBondContact O-OG 2.89Å
226	Y	89.6	Confident	91.5	Very high	84 Å²	84	38.2 Å²	38.2	33%	0.329	20%	0.199	S	C	.	.			trans	-136.1	154.1	173.4	61.3	-81.2	0	0	0	111.3	S224 N228 P400	S224-Y226 PolarHBondContact O-N 3.23Å; Y226-N228 WeakPolarHBondContact CD2-OD1 3.39Å; Y226-P400 HydrophobicContact CD1-CG 3.81Å; Y226-P400 HydrophobicContact CD2-CG 4.28Å; Y226-P400 HydrophobicContact CE1-CG 4.1Å; Y226-P400 HydrophobicContact CG-CB 4.47Å; Y226-P400 HydrophobicContact CG-CG 3.91Å
227	L	92.4	Very high	91.5	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.016	20%	0.197	C	C	.	.			trans	-112.9	120.3	173.8	-176.6	70	0	0	0	109.4	L184 F199 R200 W203 I229	L184-L227 HydrophobicContact CB-CD1 4.37Å; F199-L227 HydrophobicContact CD1-CD2 3.7Å; F199-L227 HydrophobicContact CE1-CD2 3.77Å; R200-L227 WeakPolarHBondContact CD-O 3.27Å; R200-L227 WeakPolarHBondContact CG-O 3.42Å; R200-L227 PolarHBondContact NE-O 2.82Å; W203-L227 HydrophobicContact CB-CB 4.43Å; W203-L227 HydrophobicContact CD2-CB 3.67Å; W203-L227 HydrophobicContact CD2-CD2 4.18Å; W203-L227 HydrophobicContact CD2-CG 4.42Å; W203-L227 HydrophobicContact CE3-CB 4.12Å; W203-L227 HydrophobicContact CE3-CD2 3.74Å; W203-L227 HydrophobicContact CE3-CG 4.39Å; W203-L227 HydrophobicContact CG-CB 3.8Å; W203-L227 HydrophobicContact CH2-CD1 4.32Å; W203-L227 HydrophobicContact CZ2-CB 4.43Å; W203-L227 HydrophobicContact CZ2-CD1 4.47Å; W203-L227 HydrophobicContact CZ3-CD1 4.4Å; W203-L227 HydrophobicContact CZ3-CD2 4.04Å; L227-I229 HydrophobicContact CD2-CD1 3.81Å; L227-I229 HydrophobicContact CD2-CG1 3.99Å; L227-I229 HydrophobicContact CG-CD1 4.38Å; L227-I229 HydrophobicContact CG-CG1 3.99Å
228	N	93.7	Very high	91.6	Very high	8 Å²	8	34.9 Å²	34.9	4%	0.043	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	130.4	169.5	-74.4	-15.8	0	0	0	109.5	T182 N183 L184 Y226 L395 G398	T182-N228 PolarHBondContact O-N 2.98Å; N183-N228 CarbonylContact C-O 3.55Å; N183-N228 WeakPolarHBondContact CA-O 3.38Å; N183-N228 WeakPolarHBondContact OD1-CB 3.4Å; N183-N228 PolarHBondContact OD1-ND2 3.16Å; N183-N228 VanDerWaalsContact OD1-ND2 3.16Å; L184-N228 PolarHBondContact N-O 2.77Å; Y226-N228 WeakPolarHBondContact CD2-OD1 3.39Å; N228-L395 HydrophobicContact CB-CD2 3.9Å; N228-L395 PolarHBondContact ND2-O 3.01Å; N228-L395 VanDerWaalsContact ND2-O 3.17Å; N228-G398 PolarHBondContact ND2-O 3.4Å
229	I	94.1	Very high	91.6	Very high	6 Å²	6	30 Å²	30	3%	0.031	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.1	176.7	-61.5	-162.8	0	0	0	110.4	L184 A196 R200 L227 A404	L184-I229 HydrophobicContact CB-CG1 4.34Å; L184-I229 HydrophobicContact CD2-CD1 4.31Å; L184-I229 WeakPolarHBondContact O-CA 3.32Å; A196-I229 HydrophobicContact CB-CD1 4.03Å; A196-I229 HydrophobicContact CB-CG2 3.88Å; A196-I229 WeakPolarHBondContact O-CD1 3.49Å; R200-I229 HydrophobicContact CB-CD1 3.76Å; R200-I229 HydrophobicContact CB-CG1 4.22Å; R200-I229 HydrophobicContact CG-CG1 4.47Å; L227-I229 HydrophobicContact CD2-CD1 3.81Å; L227-I229 HydrophobicContact CD2-CG1 3.99Å; L227-I229 HydrophobicContact CG-CD1 4.38Å; L227-I229 HydrophobicContact CG-CG1 3.99Å; I229-A404 HydrophobicContact CB-CB 4.43Å
230	V	95.5	Very high	91.5	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.012	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	129.9	166.5	176.1	0	0	0	0	109.9	L184 C185 V186 A391 A394 L395 C405 V407	L184-V230 PolarHBondContact O-N 3.25Å; C185-V230 WeakPolarHBondContact CA-O 3.43Å; V186-V230 PolarHBondContact N-O 3.17Å; V230-A391 HydrophobicContact CB-CB 4.43Å; V230-A391 HydrophobicContact CG1-CB 3.65Å; V230-A394 HydrophobicContact CG2-CB 3.74Å; V230-L395 HydrophobicContact CB-CD2 4.05Å; V230-L395 HydrophobicContact CB-CG 4Å; V230-L395 HydrophobicContact CG2-CD2 3.65Å; V230-L395 HydrophobicContact CG2-CG 3.63Å; V230-C405 WeakPolarHBondContact CA-O 3.4Å; V230-V407 HydrophobicContact CG1-CG2 3.81Å
231	G	95.2	Very high	91.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	138.8	175.4	0	0	0	0	0	113	V186 L193 C405 V406 V407	V186-G231 CarbonylContact O-C 3.59Å; V186-G231 WeakPolarHBondContact O-CA 3.3Å; L193-G231 VanDerWaalsContact CD2-CA 3.44Å; G231-C405 PolarHBondContact N-O 2.93Å; G231-V406 VanDerWaalsContact O-CA 3.28Å; G231-V406 WeakPolarHBondContact O-CA 3.39Å; G231-V407 PolarHBondContact O-N 3.18Å
232	L	95.6	Very high	91.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.2	166	-61.9	-172.7	0	0	0	109.6	A104 V186 I187 G188 G234 M387 A391 V407	A104-L232 HydrophobicContact CB-CD1 3.82Å; V186-L232 PolarHBondContact O-N 3.36Å; I187-L232 WeakPolarHBondContact CA-O 3.28Å; I187-L232 HydrophobicContact CB-CB 4.41Å; I187-L232 HydrophobicContact CD1-CD1 4.25Å; I187-L232 HydrophobicContact CG1-CB 4.12Å; I187-L232 HydrophobicContact CG1-CD1 4.13Å; I187-L232 HydrophobicContact CG1-CG 4.44Å; I187-L232 HydrophobicContact CG2-CB 4.21Å; G188-L232 PolarHBondContact N-O 2.85Å; L232-G234 PolarHBondContact O-N 2.9Å; L232-M387 HydrophobicContact CD1-CB 4.39Å; L232-M387 HydrophobicContact CD2-CB 3.87Å; L232-A391 HydrophobicContact CD1-CB 4.27Å; L232-A391 HydrophobicContact CD2-CB 3.96Å; L232-A391 HydrophobicContact CG-CB 4.27Å; L232-V407 HydrophobicContact CD2-CB 3.58Å; L232-V407 HydrophobicContact CD2-CG2 3.83Å
233	V	94.5	Very high	91.1	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.012	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	98.1	-175.1	-161.1	0	0	0	0	111	G188 L193 F240 T246 I247 V406	G188-V233 WeakPolarHBondContact O-CA 3.38Å; L193-V233 HydrophobicContact CD1-CG2 4.04Å; V233-F240 HydrophobicContact CB-CD1 4.5Å; V233-F240 HydrophobicContact CG1-CB 3.7Å; V233-F240 HydrophobicContact CG1-CD1 4.23Å; V233-F240 HydrophobicContact CG1-CD2 4.33Å; V233-F240 HydrophobicContact CG1-CG 3.85Å; V233-F240 HydrophobicContact CG2-CD1 3.55Å; V233-F240 HydrophobicContact CG2-CE1 3.68Å; V233-F240 HydrophobicContact CG2-CG 3.98Å; V233-F240 HydrophobicContact CG2-CZ 4.23Å; V233-T246 HydrophobicContact CB-CG2 3.96Å; V233-T246 HydrophobicContact CG1-CG2 3.43Å; V233-T246 VanDerWaalsContact CG1-CG2 3.43Å; V233-I247 PolarHBondContact O-N 3.05Å; V233-V406 HydrophobicContact CG2-CG1 3.55Å
234	G	94.3	Very high	91.2	Very high	1 Å²	1	14 Å²	14	1%	0.01	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	102.5	171.4	0	0	0	0	0	110.4	M101 G188 G189 L232	M101-G234 WeakPolarHBondContact CE-O 3.32Å; G188-G234 CarbonylContact C-O 3.46Å; G188-G234 PolarHBondContact O-N 3.23Å; G189-G234 PolarHBondContact N-O 2.96Å; L232-G234 PolarHBondContact O-N 2.9Å
235	S	93.6	Very high	91.3	Very high	4 Å²	4	14.7 Å²	14.7	3%	0.028	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	146.2	179.8	-173.4	0	0	0	0	109.9	D237 T246 I247 T249	S235-D237 PolarHBondContact OG-N 2.84Å; S235-D237 VanDerWaalsContact OG-N 3.15Å; S235-D237 PolarHBondContact OG-OD2 2.76Å; S235-T246 PolarHBondContact O-OG1 3.02Å; S235-I247 CarbonylContact C-O 3.59Å; S235-I247 PolarHBondContact N-O 2.89Å; S235-I247 CarbonylContact O-C 3.54Å; S235-T249 PolarHBondContact O-OG1 2.85Å
236	I	94.6	Very high	91.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	-85.6	-19.2	168.7	64.2	159.1	0	0	0	111.9	A98 N238 T249 A252 M279 L286 Q371 R372	A98-I236 HydrophobicContact CB-CG2 4.04Å; I236-N238 VanDerWaalsContact C-N 3.31Å; I236-N238 PolarHBondContact O-N 2.98Å; I236-T249 PolarHBondContact O-OG1 2.85Å; I236-A252 HydrophobicContact CB-CB 3.75Å; I236-A252 HydrophobicContact CD1-CB 4.49Å; I236-A252 HydrophobicContact CG2-CB 3.87Å; I236-M279 HydrophobicContact CD1-CB 4.05Å; I236-M279 HydrophobicContact CD1-SD 4.13Å; I236-L286 HydrophobicContact CD1-CD1 4.35Å; I236-L286 VanDerWaalsContact O-CD1 3.31Å; I236-L286 WeakPolarHBondContact O-CD1 3.29Å; I236-L286 WeakPolarHBondContact O-CG 3.47Å; I236-Q371 HydrophobicContact CD1-CB 4.3Å; I236-R372 HydrophobicContact CD1-CG 3.62Å; I236-R372 HydrophobicContact CG1-CG 4.3Å; I236-R372 HydrophobicContact CG2-CG 4.41Å
237	D	92.8	Very high	91.9	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	5%	0.048	C	C	.	.	S	Bend	trans	-78.1	-17.5	-165.5	-55.7	-42.8	0	0	0	112.4	S235 D239 G280 R281 C283 R372	S235-D237 PolarHBondContact OG-N 2.84Å; S235-D237 VanDerWaalsContact OG-N 3.15Å; S235-D237 PolarHBondContact OG-OD2 2.76Å; D237-D239 HydrophobicContact CB-CB 4.17Å; D237-D239 PolarHBondContact O-N 2.81Å; D237-G280 WeakPolarHBondContact OD1-CA 3.27Å; D237-R281 IonicContact OD2-CZ 2.77Å; D237-R281 IonicContact OD2-NE 3.8Å; D237-R281 IonicContact OD2-NH2 3.3Å; D237-C283 WeakPolarHBondContact O-CB 3.47Å; D237-C283 PolarHBondContact O-SG 2.77Å; D237-R372 IonicContact OD1-NH2 3.7Å; D237-R372 IonicContact OD2-NH2 2.82Å
238	N	92.4	Very high	92	Very high	16 Å²	16	7.3 Å²	7.3	9%	0.086	5%	0.047	C	C	.	.			trans	48.3	36.9	-171.9	-150.3	36.7	0	0	0	113.8	I236 M245 T246 T249 Y285	I236-N238 VanDerWaalsContact C-N 3.31Å; I236-N238 PolarHBondContact O-N 2.98Å; N238-M245 VanDerWaalsContact OD1-CA 3.32Å; N238-M245 WeakPolarHBondContact OD1-CA 3.27Å; N238-T246 WeakPolarHBondContact CA-OG1 3.33Å; N238-T246 PolarHBondContact OD1-N 3.33Å; N238-T246 PolarHBondContact OD1-OG1 3.28Å; N238-T249 HydrophobicContact CB-CG2 3.81Å; N238-T249 WeakPolarHBondContact CB-OG1 3.38Å; N238-Y285 HydrophobicContact CB-CD1 3.65Å; N238-Y285 HydrophobicContact CB-CE1 4.23Å; N238-Y285 HydrophobicContact CB-CG 3.87Å; N238-Y285 WeakPolarHBondContact ND2-CE1 3.31Å; N238-Y285 WeakPolarHBondContact ND2-CE2 3.36Å; N238-Y285 VanDerWaalsContact ND2-CZ 3.34Å
239	D	88.8	Confident	92.1	Very high	9 Å²	9	7 Å²	7	5%	0.048	5%	0.045	C	C	.	.			trans	-90.7	-12.8	-171.4	63.5	-28.3	0	0	0	114	D237 R281 C283 R445	D237-D239 HydrophobicContact CB-CB 4.17Å; D237-D239 PolarHBondContact O-N 2.81Å; D239-R281 IonicContact OD2-CZ 3.58Å; D239-R281 IonicContact OD2-NE 2.86Å; D239-R281 IonicContact OD2-NH1 2.73Å; D239-R281 PolarHBondContact OD2-NH1 3.48Å; D239-C283 HydrophobicContact CB-CB 3.78Å; D239-R445 PolarHBondContact O-NH1 3.03Å
240	F	87.4	Confident	92.2	Very high	4 Å²	4	6.7 Å²	6.7	2%	0.018	4%	0.044	C	C	.	.			trans	-82.3	113.9	-176.2	-169.6	-93.2	0	0	0	113	D190 L193 V233 G242 T243 T246 V406 C422 V423	D190-F240 HydrophobicContact CB-CD2 4.2Å; L193-F240 HydrophobicContact CD1-CD2 4.37Å; L193-F240 HydrophobicContact CD1-CE2 3.73Å; L193-F240 HydrophobicContact CD1-CZ 3.92Å; V233-F240 HydrophobicContact CB-CD1 4.5Å; V233-F240 HydrophobicContact CG1-CB 3.7Å; V233-F240 HydrophobicContact CG1-CD1 4.23Å; V233-F240 HydrophobicContact CG1-CD2 4.33Å; V233-F240 HydrophobicContact CG1-CG 3.85Å; V233-F240 HydrophobicContact CG2-CD1 3.55Å; V233-F240 HydrophobicContact CG2-CE1 3.68Å; V233-F240 HydrophobicContact CG2-CG 3.98Å; V233-F240 HydrophobicContact CG2-CZ 4.23Å; F240-G242 PolarHBondContact O-N 3.25Å; F240-T243 HydrophobicContact CD1-CG2 4.47Å; F240-T246 HydrophobicContact CB-CG2 4.15Å; F240-V406 HydrophobicContact CE1-CG1 3.92Å; F240-V406 HydrophobicContact CZ-CG1 4.25Å; F240-V406 HydrophobicContact CZ-CG2 4.09Å; F240-C422 HydrophobicContact CD1-CB 4.34Å; F240-C422 HydrophobicContact CE1-CB 3.36Å; F240-C422 HydrophobicContact CE2-CB 4.17Å; F240-C422 HydrophobicContact CZ-CB 3.25Å; F240-V423 HydrophobicContact CE2-CG2 4.09Å
241	C	86	Confident	92.2	Very high	11 Å²	11	6.8 Å²	6.8	7%	0.074	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	122.6	178.5	-70.1	0	0	0	0	111.7	C422 V425 T426	C241-C422 WeakPolarHBondContact O-CA 3.36Å; C241-C422 VanDerWaalsContact O-CB 3.24Å; C241-C422 WeakPolarHBondContact O-CB 3.49Å; C241-V425 HydrophobicContact CB-CB 4.02Å; C241-V425 HydrophobicContact CB-CG1 3.58Å; C241-T426 PolarHBondContact N-OG1 3.08Å
242	G	82.8	Confident	92.3	Very high	28 Å²	28	6.8 Å²	6.8	29%	0.289	4%	0.044	S	C	.	.	T	Hydrogen-bonded Turn	trans	137.5	-30.9	178.5	0	0	0	0	0	112.6	F240 L417	F240-G242 PolarHBondContact O-N 3.25Å; G242-L417 WeakPolarHBondContact O-CD1 3.32Å
243	T	87.9	Confident	92.4	Very high	14 Å²	14	7 Å²	7	9%	0.086	5%	0.045	C	C	.	.			trans	-105.1	143.5	173.7	-168	0	0	0	0	111.3	F240 M245 T246 L409	F240-T243 HydrophobicContact CD1-CG2 4.47Å; T243-M245 VanDerWaalsContact C-N 3.3Å; T243-M245 WeakPolarHBondContact CG2-O 3.48Å; T243-M245 PolarHBondContact OG1-O 3.44Å; T243-T246 HydrophobicContact CG2-CG2 3.51Å; T243-L409 PolarHBondContact OG1-N 3.1Å
244	D	87.6	Confident	92.5	Very high	31 Å²	31	8.5 Å²	8.5	17%	0.166	5%	0.052	C	C	.	.	S	Bend	trans	-75	-22.1	173.3	-75.7	-35.3	0	0	0	111.8	L409 G411 R787	D244-L409 PolarHBondContact N-O 3.33Å; D244-G411 PolarHBondContact OD2-N 3.26Å; D244-R787 IonicContact OD1-CZ 3.49Å; D244-R787 IonicContact OD1-NE 2.73Å; D244-R787 PolarHBondContact OD1-NE 2.96Å; D244-R787 IonicContact OD1-NH2 2.7Å; D244-R787 PolarHBondContact OD1-NH2 3.43Å; D244-R787 IonicContact OD2-CZ 3.19Å; D244-R787 IonicContact OD2-NE 3.51Å; D244-R787 PolarHBondContact OD2-NE 3.01Å; D244-R787 IonicContact OD2-NH2 2.66Å
245	M	90.6	Very high	92.6	Very high	17 Å²	17	11.1 Å²	11.1	8%	0.084	6%	0.062	C	C	.	.	S	Bend	trans	-150.3	138.1	172.7	-159.1	91.3	76.4	0	0	111.3	N238 T243 T249 Y285 F379 L409	N238-M245 VanDerWaalsContact OD1-CA 3.32Å; N238-M245 WeakPolarHBondContact OD1-CA 3.27Å; T243-M245 VanDerWaalsContact C-N 3.3Å; T243-M245 WeakPolarHBondContact CG2-O 3.48Å; T243-M245 PolarHBondContact OG1-O 3.44Å; M245-T249 HydrophobicContact CG-CG2 4.41Å; M245-T249 HydrophobicContact SD-CG2 3.7Å; M245-Y285 HydrophobicContact SD-CE1 4.17Å; M245-F379 HydrophobicContact CB-CE1 4.32Å; M245-F379 HydrophobicContact CE-CE1 4.06Å; M245-F379 HydrophobicContact CE-CZ 4.26Å; M245-F379 HydrophobicContact CG-CE1 4.01Å; M245-L409 HydrophobicContact CB-CD2 4.04Å
246	T	94	Very high	92.7	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.061	C	C	.	.			trans	-94.1	151.8	170.7	59.2	0	0	0	0	111.9	V233 S235 N238 F240 T243 G248 T249	V233-T246 HydrophobicContact CB-CG2 3.96Å; V233-T246 HydrophobicContact CG1-CG2 3.43Å; V233-T246 VanDerWaalsContact CG1-CG2 3.43Å; S235-T246 PolarHBondContact O-OG1 3.02Å; N238-T246 WeakPolarHBondContact CA-OG1 3.33Å; N238-T246 PolarHBondContact OD1-N 3.33Å; N238-T246 PolarHBondContact OD1-OG1 3.28Å; F240-T246 HydrophobicContact CB-CG2 4.15Å; T243-T246 HydrophobicContact CG2-CG2 3.51Å; T246-G248 PolarHBondContact O-N 2.73Å; T246-T249 WeakPolarHBondContact O-CB 3.4Å; T246-T249 PolarHBondContact O-N 3.01Å; T246-T249 PolarHBondContact O-OG1 3.08Å; T246-T249 PolarHBondContact OG1-OG1 3.33Å
247	I	95.8	Very high	92.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	117.5	-178.4	-57	166.9	0	0	0	109.4	A98 A104 V233 S235 L383 M387	A98-I247 VanDerWaalsContact CB-O 3.3Å; A98-I247 WeakPolarHBondContact CB-O 3.24Å; A104-I247 HydrophobicContact CB-CD1 4.24Å; V233-I247 PolarHBondContact O-N 3.05Å; S235-I247 CarbonylContact C-O 3.59Å; S235-I247 PolarHBondContact N-O 2.89Å; S235-I247 CarbonylContact O-C 3.54Å; I247-L383 HydrophobicContact CG1-CD2 4.1Å; I247-L383 HydrophobicContact CG1-CG 4.18Å; I247-M387 HydrophobicContact CD1-SD 3.75Å; I247-M387 HydrophobicContact CG1-SD 3.74Å
248	G	95.1	Very high	92.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	108.2	-11.7	178.5	0	0	0	0	0	114.5	Q99 T246 D250 S251 A252 D380	Q99-G248 WeakPolarHBondContact O-CA 3.28Å; Q99-G248 PolarHBondContact O-N 3.24Å; T246-G248 PolarHBondContact O-N 2.73Å; G248-D250 PolarHBondContact O-N 2.97Å; G248-S251 PolarHBondContact O-N 3.32Å; G248-A252 WeakPolarHBondContact O-CB 3.36Å; G248-A252 PolarHBondContact O-N 3.09Å; G248-D380 VanDerWaalsContact CA-OD2 3.26Å; G248-D380 WeakPolarHBondContact CA-OD2 3.38Å; G248-D380 PolarHBondContact N-OD1 2.92Å; G248-D380 PolarHBondContact N-OD2 3.48Å
249	T	95.6	Very high	93	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.2	-44.4	177.7	-64.8	0	0	0	0	111.9	S235 I236 N238 M245 T246 A252 L253 Y285 L286	S235-T249 PolarHBondContact O-OG1 2.85Å; I236-T249 PolarHBondContact O-OG1 2.85Å; N238-T249 HydrophobicContact CB-CG2 3.81Å; N238-T249 WeakPolarHBondContact CB-OG1 3.38Å; M245-T249 HydrophobicContact CG-CG2 4.41Å; M245-T249 HydrophobicContact SD-CG2 3.7Å; T246-T249 WeakPolarHBondContact O-CB 3.4Å; T246-T249 PolarHBondContact O-N 3.01Å; T246-T249 PolarHBondContact O-OG1 3.08Å; T246-T249 PolarHBondContact OG1-OG1 3.33Å; T249-A252 PolarHBondContact O-N 3.35Å; T249-L253 HydrophobicContact CG2-CD1 4.37Å; T249-L253 WeakPolarHBondContact O-CG 3.28Å; T249-L253 PolarHBondContact O-N 2.93Å; T249-Y285 HydrophobicContact CG2-CD1 3.79Å; T249-Y285 HydrophobicContact CG2-CE1 3.58Å; T249-L286 HydrophobicContact CG2-CD2 4.11Å
250	D	96	Very high	93.2	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-69.5	-40.8	-179.1	-178.9	71	0	0	0	111.3	G248 A252 L253 H254 S377 F379 D380	G248-D250 PolarHBondContact O-N 2.97Å; D250-A252 VanDerWaalsContact C-N 3.34Å; D250-A252 PolarHBondContact O-N 3.17Å; D250-L253 WeakPolarHBondContact O-CB 3.18Å; D250-L253 PolarHBondContact O-N 3.32Å; D250-H254 PolarHBondContact O-CD2 3.34Å; D250-H254 PolarHBondContact O-N 3.26Å; D250-H254 IonicContact OD2-CD2 3.23Å; D250-H254 IonicContact OD2-NE2 2.83Å; D250-S377 WeakPolarHBondContact OD2-CB 3.49Å; D250-S377 PolarHBondContact OD2-OG 3.27Å; D250-F379 HydrophobicContact CB-CB 4.46Å; D250-F379 HydrophobicContact CB-CD1 3.95Å; D250-D380 PolarHBondContact N-OD2 3.06Å
251	S	96.8	Very high	93.5	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.021	10%	0.1	C	C	.	.	H	α-helix	trans	-59.4	-41.7	172.6	-60.5	0	0	0	0	112.7	G248 H254 R255 P376 S377 D380	G248-S251 PolarHBondContact O-N 3.32Å; S251-H254 VanDerWaalsContact O-CB 3.32Å; S251-H254 WeakPolarHBondContact O-CB 3.22Å; S251-H254 PolarHBondContact O-N 3.26Å; S251-R255 WeakPolarHBondContact O-CG 3.42Å; S251-R255 PolarHBondContact O-N 2.8Å; S251-R255 VanDerWaalsContact O-N 3.11Å; S251-P376 WeakPolarHBondContact OG-CA 3.47Å; S251-S377 PolarHBondContact OG-N 2.81Å; S251-D380 VanDerWaalsContact CB-OD2 3.23Å; S251-D380 WeakPolarHBondContact CB-OD2 3.4Å; S251-D380 PolarHBondContact N-OD2 3.47Å; S251-D380 PolarHBondContact OG-OD2 3.3Å
252	A	97.1	Very high	93.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.6	-45.2	174.3	0	0	0	0	0	111.6	I236 G248 T249 D250 H254 R255 I256 L286 Q371	I236-A252 HydrophobicContact CB-CB 3.75Å; I236-A252 HydrophobicContact CD1-CB 4.49Å; I236-A252 HydrophobicContact CG2-CB 3.87Å; G248-A252 WeakPolarHBondContact O-CB 3.36Å; G248-A252 PolarHBondContact O-N 3.09Å; T249-A252 PolarHBondContact O-N 3.35Å; D250-A252 VanDerWaalsContact C-N 3.34Å; D250-A252 PolarHBondContact O-N 3.17Å; A252-H254 VanDerWaalsContact C-N 3.26Å; A252-H254 PolarHBondContact O-N 3.16Å; A252-R255 WeakPolarHBondContact O-CB 3.5Å; A252-R255 PolarHBondContact O-N 2.72Å; A252-I256 WeakPolarHBondContact O-CD1 3.47Å; A252-I256 VanDerWaalsContact O-CG1 3.28Å; A252-I256 WeakPolarHBondContact O-CG1 3.19Å; A252-I256 PolarHBondContact O-N 3.12Å; A252-L286 HydrophobicContact CB-CD1 4.39Å; A252-L286 HydrophobicContact CB-CD2 4.17Å; A252-Q371 WeakPolarHBondContact CA-O 3.13Å; A252-Q371 WeakPolarHBondContact CB-O 3.33Å
253	L	97	Very high	94.3	Very high	4 Å²	4	21 Å²	21	2%	0.021	11%	0.112	C	C	.	.	H	α-helix	trans	-57.4	-38.3	172.7	-71	169.8	0	0	0	112.2	T249 D250 R255 I256 I257 Y285 L286 V289 P741	T249-L253 HydrophobicContact CG2-CD1 4.37Å; T249-L253 WeakPolarHBondContact O-CG 3.28Å; T249-L253 PolarHBondContact O-N 2.93Å; D250-L253 WeakPolarHBondContact O-CB 3.18Å; D250-L253 PolarHBondContact O-N 3.32Å; L253-R255 PolarHBondContact O-N 3.41Å; L253-I256 HydrophobicContact CD2-CD1 4.39Å; L253-I256 PolarHBondContact O-N 2.88Å; L253-I257 WeakPolarHBondContact O-CB 3.36Å; L253-I257 WeakPolarHBondContact O-CG1 3.45Å; L253-I257 PolarHBondContact O-N 2.8Å; L253-Y285 HydrophobicContact CD1-CE1 4.44Å; L253-L286 HydrophobicContact CD2-CD2 3.73Å; L253-L286 HydrophobicContact CG-CD2 3.68Å; L253-V289 HydrophobicContact CD1-CB 4.14Å; L253-V289 HydrophobicContact CD1-CG1 3.62Å; L253-V289 HydrophobicContact CD2-CB 3.94Å; L253-V289 HydrophobicContact CD2-CG1 3.92Å; L253-V289 HydrophobicContact CG-CG1 4.42Å; L253-P741 VanDerWaalsContact C-CG 3.47Å; L253-P741 HydrophobicContact CB-CB 3.76Å; L253-P741 HydrophobicContact CB-CG 3.89Å; L253-P741 WeakPolarHBondContact O-CG 3.36Å
254	H	96.8	Very high	94.3	Very high	34 Å²	34	21.7 Å²	21.7	16%	0.157	12%	0.116	C	C	.	.	H	α-helix	trans	-61.4	-41.1	174.2	-95.9	-106.3	0	0	0	112.1	D250 S251 A252 E258 T740 P741	D250-H254 PolarHBondContact O-CD2 3.34Å; D250-H254 PolarHBondContact O-N 3.26Å; D250-H254 IonicContact OD2-CD2 3.23Å; D250-H254 IonicContact OD2-NE2 2.83Å; S251-H254 VanDerWaalsContact O-CB 3.32Å; S251-H254 WeakPolarHBondContact O-CB 3.22Å; S251-H254 PolarHBondContact O-N 3.26Å; A252-H254 VanDerWaalsContact C-N 3.26Å; A252-H254 PolarHBondContact O-N 3.16Å; H254-E258 WeakPolarHBondContact O-CB 3.29Å; H254-E258 PolarHBondContact O-N 2.98Å; H254-T740 VanDerWaalsContact CE1-CG2 3.41Å; H254-T740 WeakPolarHBondContact CE1-CG2 3.4Å; H254-P741 HydrophobicContact CB-CG 4.43Å; H254-P741 VanDerWaalsContact CD2-CD 3.43Å; H254-P741 WeakPolarHBondContact CD2-CD 3.46Å
255	R	96.3	Very high	94.3	Very high	57 Å²	57	24.5 Å²	24.5	22%	0.215	13%	0.134	C	C	.	.	H	α-helix	trans	-67.7	-43.2	175.6	-59.8	-60.8	82.8	-139.2	-9.4	111.6	S251 A252 L253 E258 I259 V370	S251-R255 WeakPolarHBondContact O-CG 3.42Å; S251-R255 PolarHBondContact O-N 2.8Å; S251-R255 VanDerWaalsContact O-N 3.11Å; A252-R255 WeakPolarHBondContact O-CB 3.5Å; A252-R255 PolarHBondContact O-N 2.72Å; L253-R255 PolarHBondContact O-N 3.41Å; R255-E258 IonicContact CZ-OE2 3.25Å; R255-E258 VanDerWaalsContact NH1-CD 3.25Å; R255-E258 IonicContact NH1-OE1 2.78Å; R255-E258 PolarHBondContact NH1-OE1 2.93Å; R255-E258 IonicContact NH1-OE2 3.05Å; R255-E258 PolarHBondContact NH1-OE2 2.89Å; R255-E258 IonicContact NH2-OE2 3.96Å; R255-E258 PolarHBondContact NH2-OE2 3.35Å; R255-I259 WeakPolarHBondContact O-CG1 3.39Å; R255-I259 PolarHBondContact O-N 3.03Å; R255-V370 WeakPolarHBondContact CG-O 3.48Å
256	I	96.6	Very high	94.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.5	-49.9	179	-62.4	156.9	0	0	0	110.3	A252 L253 E258 I259 V260 V278 L286 T290 L367 Q371	A252-I256 WeakPolarHBondContact O-CD1 3.47Å; A252-I256 VanDerWaalsContact O-CG1 3.28Å; A252-I256 WeakPolarHBondContact O-CG1 3.19Å; A252-I256 PolarHBondContact O-N 3.12Å; L253-I256 HydrophobicContact CD2-CD1 4.39Å; L253-I256 PolarHBondContact O-N 2.88Å; I256-E258 PolarHBondContact O-N 3.24Å; I256-I259 PolarHBondContact O-N 2.93Å; I256-V260 HydrophobicContact CG2-CG2 4.04Å; I256-V260 VanDerWaalsContact O-CG2 3.22Å; I256-V260 WeakPolarHBondContact O-CG2 3.42Å; I256-V260 PolarHBondContact O-N 3.31Å; I256-V278 HydrophobicContact CD1-CG1 3.58Å; I256-V278 HydrophobicContact CG1-CG1 4.24Å; I256-V278 HydrophobicContact CG2-CG2 4.16Å; I256-L286 HydrophobicContact CD1-CB 4.14Å; I256-L286 HydrophobicContact CD1-CD1 4.28Å; I256-L286 HydrophobicContact CD1-CD2 4.16Å; I256-L286 HydrophobicContact CD1-CG 4.44Å; I256-T290 HydrophobicContact CG2-CG2 3.52Å; I256-T290 WeakPolarHBondContact CG2-OG1 3.27Å; I256-L367 HydrophobicContact CB-CD2 4.08Å; I256-L367 HydrophobicContact CG1-CD2 3.94Å; I256-L367 HydrophobicContact CG2-CD2 3.9Å; I256-Q371 HydrophobicContact CD1-CG 4.47Å; I256-Q371 HydrophobicContact CG1-CG 3.82Å
257	I	95.6	Very high	94	Very high	5 Å²	5	26.2 Å²	26.2	3%	0.026	15%	0.145	C	C	.	.	H	α-helix	trans	-67.4	-34.1	-176.8	-69.1	-64.5	0	0	0	112.6	L253 I259 V260 D261 T290 C294 P741	L253-I257 WeakPolarHBondContact O-CB 3.36Å; L253-I257 WeakPolarHBondContact O-CG1 3.45Å; L253-I257 PolarHBondContact O-N 2.8Å; I257-I259 VanDerWaalsContact C-N 3.32Å; I257-I259 PolarHBondContact O-N 3.34Å; I257-V260 PolarHBondContact O-N 3.43Å; I257-D261 WeakPolarHBondContact O-CB 3.34Å; I257-D261 PolarHBondContact O-N 3.02Å; I257-T290 HydrophobicContact CD1-CG2 4.19Å; I257-C294 HydrophobicContact CD1-CB 4.45Å; I257-P741 HydrophobicContact CB-CG 4.14Å; I257-P741 HydrophobicContact CG1-CB 4.09Å; I257-P741 HydrophobicContact CG1-CG 3.92Å
258	E	94.5	Very high	93.6	Very high	111 Å²	111	29.9 Å²	29.9	52%	0.519	16%	0.163	S	C	.	.	H	α-helix	trans	-59.4	-43.3	172.3	-174.5	176.8	126.3	0	0	111.7	H254 R255 I256 A262	H254-E258 WeakPolarHBondContact O-CB 3.29Å; H254-E258 PolarHBondContact O-N 2.98Å; R255-E258 IonicContact CZ-OE2 3.25Å; R255-E258 VanDerWaalsContact NH1-CD 3.25Å; R255-E258 IonicContact NH1-OE1 2.78Å; R255-E258 PolarHBondContact NH1-OE1 2.93Å; R255-E258 IonicContact NH1-OE2 3.05Å; R255-E258 PolarHBondContact NH1-OE2 2.89Å; R255-E258 IonicContact NH2-OE2 3.96Å; R255-E258 PolarHBondContact NH2-OE2 3.35Å; I256-E258 PolarHBondContact O-N 3.24Å; E258-A262 WeakPolarHBondContact O-CB 3.45Å; E258-A262 PolarHBondContact O-N 3.12Å
259	I	94.8	Very high	93.3	Very high	43 Å²	43	33.8 Å²	33.8	22%	0.221	19%	0.19	C	C	.	.	H	α-helix	trans	-70.5	-42.1	178.2	-65.6	164.3	0	0	0	111	R255 I256 I257 A262 I263 L367 V370	R255-I259 WeakPolarHBondContact O-CG1 3.39Å; R255-I259 PolarHBondContact O-N 3.03Å; I256-I259 PolarHBondContact O-N 2.93Å; I257-I259 VanDerWaalsContact C-N 3.32Å; I257-I259 PolarHBondContact O-N 3.34Å; I259-A262 PolarHBondContact O-N 2.99Å; I259-I263 HydrophobicContact CG2-CD1 3.68Å; I259-I263 HydrophobicContact CG2-CG1 4.38Å; I259-I263 WeakPolarHBondContact O-CB 3.46Å; I259-I263 VanDerWaalsContact O-CG1 3.28Å; I259-I263 WeakPolarHBondContact O-CG1 3.17Å; I259-I263 PolarHBondContact O-N 3.03Å; I259-L367 HydrophobicContact CB-CD2 4.27Å; I259-L367 HydrophobicContact CD1-CD2 3.92Å; I259-L367 HydrophobicContact CD1-CG 4.08Å; I259-L367 HydrophobicContact CG2-CD1 4.49Å; I259-L367 HydrophobicContact CG2-CD2 4.29Å; I259-L367 HydrophobicContact CG2-CG 4.12Å; I259-V370 HydrophobicContact CD1-CB 4.34Å; I259-V370 HydrophobicContact CD1-CG2 3.37Å
260	V	93.8	Very high	92.9	Very high	1 Å²	1	39 Å²	39	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-62.1	-44.6	177	175.6	0	0	0	0	111	I256 I257 I263 T264 L276 T290 C294 I330	I256-V260 HydrophobicContact CG2-CG2 4.04Å; I256-V260 VanDerWaalsContact O-CG2 3.22Å; I256-V260 WeakPolarHBondContact O-CG2 3.42Å; I256-V260 PolarHBondContact O-N 3.31Å; I257-V260 PolarHBondContact O-N 3.43Å; V260-I263 PolarHBondContact O-N 2.86Å; V260-T264 WeakPolarHBondContact O-CB 3.34Å; V260-T264 PolarHBondContact O-N 3.05Å; V260-T264 PolarHBondContact O-OG1 2.85Å; V260-L276 HydrophobicContact CB-CD1 4.42Å; V260-L276 HydrophobicContact CG1-CD1 4.37Å; V260-L276 HydrophobicContact CG2-CD1 3.73Å; V260-T290 HydrophobicContact CG2-CG2 4.1Å; V260-C294 HydrophobicContact CG1-CB 3.49Å; V260-C294 VanDerWaalsContact CG1-CB 3.49Å; V260-I330 HydrophobicContact CG1-CD1 4.21Å
261	D	92.7	Very high	92.5	Very high	41 Å²	41	42.6 Å²	42.6	22%	0.219	23%	0.231	C	C	.	.	H	α-helix	trans	-62.8	-44.1	177.1	-76.7	-4.7	0	0	0	110.9	I257 T264 T265 R744	I257-D261 WeakPolarHBondContact O-CB 3.34Å; I257-D261 PolarHBondContact O-N 3.02Å; D261-T264 WeakPolarHBondContact O-CB 3.43Å; D261-T264 PolarHBondContact O-N 3.41Å; D261-T265 PolarHBondContact O-N 2.82Å; D261-R744 IonicContact OD1-CZ 3.51Å; D261-R744 IonicContact OD1-NH1 3.69Å; D261-R744 PolarHBondContact OD1-NH1 3.16Å; D261-R744 IonicContact OD1-NH2 3.68Å; D261-R744 IonicContact OD2-CZ 2.76Å; D261-R744 IonicContact OD2-NH1 2.72Å; D261-R744 PolarHBondContact OD2-NH1 2.77Å; D261-R744 IonicContact OD2-NH2 3.98Å; D261-R744 PolarHBondContact OD2-NH2 2.71Å
262	A	92.9	Very high	92.2	Very high	60 Å²	60	45.1 Å²	45.1	50%	0.496	24%	0.24	S	C	.	.	H	α-helix	trans	-59.5	-48.2	175.6	0	0	0	0	0	112	E258 I259 T264 T265	E258-A262 WeakPolarHBondContact O-CB 3.45Å; E258-A262 PolarHBondContact O-N 3.12Å; I259-A262 PolarHBondContact O-N 2.99Å; A262-T264 VanDerWaalsContact C-N 3.32Å; A262-T264 PolarHBondContact O-N 2.9Å; A262-T265 PolarHBondContact O-N 2.84Å; A262-T265 PolarHBondContact O-OG1 3.16Å
263	I	92.2	Very high	92	Very high	20 Å²	20	45.1 Å²	45.1	10%	0.103	24%	0.24	C	C	.	.	H	α-helix	trans	-63.1	-37.4	177.3	-70.4	171	0	0	0	111.6	I259 V260 T265 T266 A267 F274 L276 T365	I259-I263 HydrophobicContact CG2-CD1 3.68Å; I259-I263 HydrophobicContact CG2-CG1 4.38Å; I259-I263 WeakPolarHBondContact O-CB 3.46Å; I259-I263 VanDerWaalsContact O-CG1 3.28Å; I259-I263 WeakPolarHBondContact O-CG1 3.17Å; I259-I263 PolarHBondContact O-N 3.03Å; V260-I263 PolarHBondContact O-N 2.86Å; I263-T265 PolarHBondContact O-N 3.26Å; I263-T266 WeakPolarHBondContact O-CG2 3.34Å; I263-T266 PolarHBondContact O-N 3.43Å; I263-A267 WeakPolarHBondContact O-CB 3.25Å; I263-A267 PolarHBondContact O-N 2.87Å; I263-F274 HydrophobicContact CG2-CB 4.09Å; I263-F274 HydrophobicContact CG2-CD1 3.44Å; I263-F274 VanDerWaalsContact CG2-CD1 3.44Å; I263-F274 HydrophobicContact CG2-CD2 3.82Å; I263-F274 HydrophobicContact CG2-CE1 3.68Å; I263-F274 HydrophobicContact CG2-CE2 4.03Å; I263-F274 HydrophobicContact CG2-CG 3.5Å; I263-F274 VanDerWaalsContact CG2-CG 3.5Å; I263-F274 HydrophobicContact CG2-CZ 3.97Å; I263-L276 HydrophobicContact CD1-CD2 3.57Å; I263-L276 HydrophobicContact CG2-CD2 4.42Å; I263-T365 HydrophobicContact CD1-CG2 4Å
264	T	89.1	Confident	91.9	Very high	28 Å²	28	45.7 Å²	45.7	17%	0.172	24%	0.242	C	C	.	.	H	α-helix	trans	-57.1	-37	-179.6	-64	0	0	0	0	111.7	V260 D261 A262 A267 Q268 L328	V260-T264 WeakPolarHBondContact O-CB 3.34Å; V260-T264 PolarHBondContact O-N 3.05Å; V260-T264 PolarHBondContact O-OG1 2.85Å; D261-T264 WeakPolarHBondContact O-CB 3.43Å; D261-T264 PolarHBondContact O-N 3.41Å; A262-T264 VanDerWaalsContact C-N 3.32Å; A262-T264 PolarHBondContact O-N 2.9Å; T264-A267 PolarHBondContact O-N 2.85Å; T264-Q268 HydrophobicContact CG2-CG 4.48Å; T264-Q268 VanDerWaalsContact O-CG 3.31Å; T264-Q268 WeakPolarHBondContact O-CG 3.4Å; T264-Q268 PolarHBondContact O-N 3.24Å; T264-L328 HydrophobicContact CG2-CD2 4.11Å
265	T	87.6	Confident	91.9	Very high	90 Å²	90	44 Å²	44	55%	0.552	23%	0.234	S	C	*	.	H	α-helix	trans	-64.1	-46.9	178.4	67.8	0	0	0	0	112.8	D261 A262 I263 S269	D261-T265 PolarHBondContact O-N 2.82Å; A262-T265 PolarHBondContact O-N 2.84Å; A262-T265 PolarHBondContact O-OG1 3.16Å; I263-T265 PolarHBondContact O-N 3.26Å; T265-S269 PolarHBondContact O-N 3.26Å; T265-S269 PolarHBondContact O-OG 3.17Å; T265-S269 VanDerWaalsContact O-OG 3.1Å
266	T	90.1	Very high	91.9	Very high	52 Å²	52	41.4 Å²	41.4	32%	0.319	22%	0.224	S	C	.	.	H	α-helix	trans	-72.7	-33	177.7	-176.7	0	0	0	0	112.2	I263 S269 H270 F274	I263-T266 WeakPolarHBondContact O-CG2 3.34Å; I263-T266 PolarHBondContact O-N 3.43Å; T266-S269 PolarHBondContact O-N 3.13Å; T266-H270 PolarHBondContact O-N 2.84Å; T266-H270 VanDerWaalsContact O-N 3.15Å; T266-F274 HydrophobicContact CG2-CZ 4.19Å
267	A	87.5	Confident	91.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.4	-43.6	174.4	0	0	0	0	0	112.3	I263 T264 Q271 R272 F274 L328	I263-A267 WeakPolarHBondContact O-CB 3.25Å; I263-A267 PolarHBondContact O-N 2.87Å; T264-A267 PolarHBondContact O-N 2.85Å; A267-Q271 VanDerWaalsContact O-CA 3.26Å; A267-Q271 WeakPolarHBondContact O-CA 3.39Å; A267-Q271 PolarHBondContact O-N 2.98Å; A267-R272 PolarHBondContact O-N 2.85Å; A267-F274 HydrophobicContact CB-CD2 3.58Å; A267-F274 HydrophobicContact CB-CE2 3.62Å; A267-L328 HydrophobicContact CB-CB 4.15Å
268	Q	86.9	Confident	91.9	Very high	78 Å²	78	43.3 Å²	43.3	36%	0.364	23%	0.234	S	C	.	.	H	α-helix	trans	-65.3	-39.2	176.6	-75.5	176.5	5.2	0	0	113	T264 R327 L328	T264-Q268 HydrophobicContact CG2-CG 4.48Å; T264-Q268 VanDerWaalsContact O-CG 3.31Å; T264-Q268 WeakPolarHBondContact O-CG 3.4Å; T264-Q268 PolarHBondContact O-N 3.24Å; Q268-R327 PolarHBondContact O-NE 3.07Å; Q268-R327 PolarHBondContact O-NH2 3.36Å; Q268-L328 HydrophobicContact CG-CB 4.25Å; Q268-L328 HydrophobicContact CG-CD2 3.38Å; Q268-L328 HydrophobicContact CG-CG 4.42Å; Q268-L328 VanDerWaalsContact NE2-CD2 3.29Å
269	S	88.8	Confident	92	Very high	81 Å²	81	38.9 Å²	38.9	57%	0.566	21%	0.213	S	C	*	.	H	α-helix	trans	-62.2	-54.4	179.1	-62.5	0	0	0	0	111.6	T265 T266 R327	T265-S269 PolarHBondContact O-N 3.26Å; T265-S269 PolarHBondContact O-OG 3.17Å; T265-S269 VanDerWaalsContact O-OG 3.1Å; T266-S269 PolarHBondContact O-N 3.13Å; S269-R327 PolarHBondContact O-NH2 2.72Å
270	H	87.9	Confident	91.8	Very high	110 Å²	110	36.9 Å²	36.9	51%	0.509	20%	0.203	S	C	.	.	H	α-helix	trans	-90.1	0.4	-175.3	-66	-71.8	0	0	0	115	T266 R272	T266-H270 PolarHBondContact O-N 2.84Å; T266-H270 VanDerWaalsContact O-N 3.15Å; H270-R272 HydrophobicContact CB-CG 3.82Å; H270-R272 PolarHBondContact CD2-NH1 3.2Å
271	Q	86.8	Confident	91.6	Very high	76 Å²	76	41 Å²	41	36%	0.355	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	51.4	-172	-46.1	-177.7	26.1	0	0	114.2	A267 R322 R327	A267-Q271 VanDerWaalsContact O-CA 3.26Å; A267-Q271 WeakPolarHBondContact O-CA 3.39Å; A267-Q271 PolarHBondContact O-N 2.98Å; Q271-R322 VanDerWaalsContact O-CZ 3.29Å; Q271-R322 PolarHBondContact O-NH1 2.65Å; Q271-R322 PolarHBondContact O-NH2 2.92Å; Q271-R327 CarbonylContact C-O 3.5Å; Q271-R327 WeakPolarHBondContact CA-O 3.33Å; Q271-R327 WeakPolarHBondContact CB-O 3.38Å; Q271-R327 HydrophobicContact CG-CB 4.32Å
272	R	90.5	Very high	91.5	Very high	57 Å²	57	44.1 Å²	44.1	22%	0.215	23%	0.231	C	C	.	.			trans	-95.9	156.2	-173.6	-76.2	175.3	170.4	145.8	3.7	113.5	A267 H270 F274 N329 D361	A267-R272 PolarHBondContact O-N 2.85Å; H270-R272 HydrophobicContact CB-CG 3.82Å; H270-R272 PolarHBondContact CD2-NH1 3.2Å; R272-F274 HydrophobicContact CB-CD2 3.99Å; R272-F274 HydrophobicContact CB-CE2 3.64Å; R272-N329 PolarHBondContact O-N 3.05Å; R272-D361 HydrophobicContact CG-CB 4.21Å; R272-D361 IonicContact CZ-OD2 3.14Å; R272-D361 IonicContact NE-OD1 3.21Å; R272-D361 IonicContact NE-OD2 3.14Å; R272-D361 PolarHBondContact NE-OD2 2.89Å; R272-D361 IonicContact NH2-OD2 2.67Å; R272-D361 PolarHBondContact NH2-OD2 3.31Å
273	T	92.9	Very high	91.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	131.8	163.8	-56.7	0	0	0	0	108.8	N329 I331 V354 D361 T362 R363	T273-N329 WeakPolarHBondContact CA-O 3.37Å; T273-N329 HydrophobicContact CG2-CB 3.89Å; T273-I331 HydrophobicContact CG2-CD1 4.1Å; T273-V354 HydrophobicContact CG2-CG1 4.3Å; T273-D361 PolarHBondContact N-O 3.24Å; T273-D361 VanDerWaalsContact N-O 3.1Å; T273-T362 HydrophobicContact CG2-CG2 4.07Å; T273-T362 VanDerWaalsContact O-CA 3.29Å; T273-T362 WeakPolarHBondContact O-CA 3.22Å; T273-R363 PolarHBondContact O-N 3.35Å
274	F	95.1	Very high	91.6	Very high	15 Å²	15	40.4 Å²	40.4	7%	0.066	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.2	175.2	-83.5	-94.7	0	0	0	110.8	I263 T266 A267 R272 L276 N329 I331 R363	I263-F274 HydrophobicContact CG2-CB 4.09Å; I263-F274 HydrophobicContact CG2-CD1 3.44Å; I263-F274 VanDerWaalsContact CG2-CD1 3.44Å; I263-F274 HydrophobicContact CG2-CD2 3.82Å; I263-F274 HydrophobicContact CG2-CE1 3.68Å; I263-F274 HydrophobicContact CG2-CE2 4.03Å; I263-F274 HydrophobicContact CG2-CG 3.5Å; I263-F274 VanDerWaalsContact CG2-CG 3.5Å; I263-F274 HydrophobicContact CG2-CZ 3.97Å; T266-F274 HydrophobicContact CG2-CZ 4.19Å; A267-F274 HydrophobicContact CB-CD2 3.58Å; A267-F274 HydrophobicContact CB-CE2 3.62Å; R272-F274 HydrophobicContact CB-CD2 3.99Å; R272-F274 HydrophobicContact CB-CE2 3.64Å; F274-L276 HydrophobicContact CB-CD2 4.14Å; F274-L276 HydrophobicContact CB-CG 4.45Å; F274-L276 HydrophobicContact CD1-CD2 4.34Å; F274-N329 PolarHBondContact N-O 3.34Å; F274-I331 PolarHBondContact O-N 2.95Å; F274-R363 CarbonylContact C-O 3.59Å; F274-R363 WeakPolarHBondContact CA-O 3.36Å; F274-R363 HydrophobicContact CD1-CB 3.87Å; F274-R363 HydrophobicContact CE1-CB 3.65Å; F274-R363 HydrophobicContact CE1-CG 4.3Å; F274-R363 HydrophobicContact CZ-CB 4.15Å; F274-R363 HydrophobicContact CZ-CG 4.32Å
275	V	96.4	Very high	91.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	116.3	170.2	-174.3	0	0	0	0	106.9	I331 V333 I350 T362 R363 V364 T365	V275-I331 WeakPolarHBondContact CA-O 3.41Å; V275-I331 HydrophobicContact CG1-CG2 4.39Å; V275-I331 HydrophobicContact CG2-CB 4.4Å; V275-I331 HydrophobicContact CG2-CD1 4.19Å; V275-V333 HydrophobicContact CG1-CG2 3.56Å; V275-I350 HydrophobicContact CG1-CB 4.41Å; V275-I350 HydrophobicContact CG1-CG2 4.27Å; V275-I350 HydrophobicContact CG2-CB 4.5Å; V275-I350 HydrophobicContact CG2-CG2 3.84Å; V275-T362 HydrophobicContact CG2-CG2 4.01Å; V275-R363 PolarHBondContact N-O 3.14Å; V275-V364 HydrophobicContact CB-CG2 4.07Å; V275-V364 CarbonylContact O-C 3.44Å; V275-V364 WeakPolarHBondContact O-CA 3.09Å; V275-T365 PolarHBondContact O-N 2.85Å
276	L	96.5	Very high	92.2	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	117.2	-173.9	-54.3	-178.6	0	0	0	109.4	V260 I263 F274 I330 I331 I332 V333 T365 L367	V260-L276 HydrophobicContact CB-CD1 4.42Å; V260-L276 HydrophobicContact CG1-CD1 4.37Å; V260-L276 HydrophobicContact CG2-CD1 3.73Å; I263-L276 HydrophobicContact CD1-CD2 3.57Å; I263-L276 HydrophobicContact CG2-CD2 4.42Å; F274-L276 HydrophobicContact CB-CD2 4.14Å; F274-L276 HydrophobicContact CB-CG 4.45Å; F274-L276 HydrophobicContact CD1-CD2 4.34Å; L276-I330 HydrophobicContact CD1-CG2 3.96Å; L276-I331 PolarHBondContact N-O 3.04Å; L276-I332 HydrophobicContact CB-CD1 3.93Å; L276-I332 HydrophobicContact CD1-CD1 3.94Å; L276-I332 HydrophobicContact CG-CD1 4.34Å; L276-V333 PolarHBondContact O-N 2.74Å; L276-T365 WeakPolarHBondContact CA-O 3.4Å; L276-L367 HydrophobicContact CB-CD1 4.25Å
277	E	96.8	Very high	92.5	Very high	45 Å²	45	33 Å²	33	21%	0.21	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122	-179.1	-167.7	-178.6	102.1	0	0	110.6	V333 S347 T365 V366 L367	E277-V333 WeakPolarHBondContact CA-O 3.29Å; E277-S347 WeakPolarHBondContact OE2-CB 3.11Å; E277-S347 PolarHBondContact OE2-OG 2.88Å; E277-S347 VanDerWaalsContact OE2-OG 3.14Å; E277-T365 PolarHBondContact N-O 3.44Å; E277-V366 HydrophobicContact CB-CB 4.42Å; E277-V366 HydrophobicContact CB-CG1 4.4Å; E277-V366 HydrophobicContact CB-CG2 4.1Å; E277-V366 WeakPolarHBondContact OE1-CG1 3.47Å; E277-L367 WeakPolarHBondContact O-CD1 3.41Å; E277-L367 PolarHBondContact O-N 2.82Å; E277-L367 VanDerWaalsContact O-N 3.16Å
278	V	96.7	Very high	92.9	Very high	1 Å²	1	33 Å²	33	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	140.2	-168.5	177.3	0	0	0	0	109	I256 L286 I332 V333 A334 E335	I256-V278 HydrophobicContact CD1-CG1 3.58Å; I256-V278 HydrophobicContact CG1-CG1 4.24Å; I256-V278 HydrophobicContact CG2-CG2 4.16Å; V278-L286 HydrophobicContact CG1-CB 3.75Å; V278-I332 HydrophobicContact CB-CG2 4.45Å; V278-I332 HydrophobicContact CG2-CG2 3.81Å; V278-V333 PolarHBondContact N-O 2.85Å; V278-A334 CarbonylContact O-C 3.58Å; V278-E335 PolarHBondContact O-N 2.88Å
279	M	96.1	Very high	93.3	Very high	17 Å²	17	29.4 Å²	29.4	8%	0.084	14%	0.14	C	C	.	.			trans	-68.9	167.8	178.2	-80.2	178.5	120	0	0	111.8	I236 L286 E335 Q371	I236-M279 HydrophobicContact CD1-CB 4.05Å; I236-M279 HydrophobicContact CD1-SD 4.13Å; M279-L286 WeakPolarHBondContact O-CB 3.24Å; M279-L286 VanDerWaalsContact O-CD1 3.32Å; M279-L286 WeakPolarHBondContact O-CD1 3.21Å; M279-E335 WeakPolarHBondContact CA-OE1 3.43Å; M279-Q371 VanDerWaalsContact CG-NE2 3.33Å; M279-Q371 HydrophobicContact SD-CB 4.34Å
280	G	90.9	Very high	93.6	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.01	11%	0.113	C	C	.	.			trans	157.1	3.1	177.2	0	0	0	0	0	114.2	D237 H282 C283 E335	D237-G280 WeakPolarHBondContact OD1-CA 3.27Å; G280-H282 PolarHBondContact O-N 3.33Å; G280-C283 WeakPolarHBondContact O-CA 3.4Å; G280-C283 VanDerWaalsContact O-CB 3.23Å; G280-C283 WeakPolarHBondContact O-CB 3.32Å; G280-C283 PolarHBondContact O-N 2.89Å; G280-E335 PolarHBondContact N-OE1 3.47Å
281	R	90.3	Very high	93.9	Very high	88 Å²	88	20.3 Å²	20.3	33%	0.332	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	-102.1	-174.8	-170	-161	-57.8	175.5	-9.5	111.6	D190 D237 D239 E335 G336	D190-R281 IonicContact OD1-CZ 3.63Å; D190-R281 IonicContact OD1-NH1 2.7Å; D190-R281 PolarHBondContact OD1-NH1 3.23Å; D190-R281 IonicContact OD1-NH2 3.02Å; D190-R281 IonicContact OD2-NH1 3.55Å; D237-R281 IonicContact OD2-CZ 2.77Å; D237-R281 IonicContact OD2-NE 3.8Å; D237-R281 IonicContact OD2-NH2 3.3Å; D239-R281 IonicContact OD2-CZ 3.58Å; D239-R281 IonicContact OD2-NE 2.86Å; D239-R281 IonicContact OD2-NH1 2.73Å; D239-R281 PolarHBondContact OD2-NH1 3.48Å; R281-E335 PolarHBondContact N-OE1 3.38Å; R281-G336 VanDerWaalsContact O-CA 3.25Å; R281-G336 WeakPolarHBondContact O-CA 3.31Å; R281-G336 PolarHBondContact O-N 2.93Å
282	H	88.8	Confident	94.2	Very high	107 Å²	107	16.9 Å²	16.9	50%	0.495	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	22.7	176.1	-55.2	-55.9	0	0	0	111.7	G280 P302 M433 R445	G280-H282 PolarHBondContact O-N 3.33Å; H282-P302 WeakPolarHBondContact O-CG 3.49Å; H282-M433 HydrophobicContact CB-CE 4.23Å; H282-R445 PolarHBondContact O-NH2 3.3Å
283	C	92.8	Very high	94.3	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.014	6%	0.063	C	C	.	.			trans	-120.9	127	-179.5	-172.4	0	0	0	0	111.1	D237 D239 G280 Y285 E303	D237-C283 WeakPolarHBondContact O-CB 3.47Å; D237-C283 PolarHBondContact O-SG 2.77Å; D239-C283 HydrophobicContact CB-CB 3.78Å; G280-C283 WeakPolarHBondContact O-CA 3.4Å; G280-C283 VanDerWaalsContact O-CB 3.23Å; G280-C283 WeakPolarHBondContact O-CB 3.32Å; G280-C283 PolarHBondContact O-N 2.89Å; C283-Y285 VanDerWaalsContact C-N 3.29Å; C283-Y285 PolarHBondContact O-N 3.06Å; C283-Y285 VanDerWaalsContact SG-CB 3.58Å; C283-E303 VanDerWaalsContact CA-OE1 3.27Å; C283-E303 WeakPolarHBondContact CA-OE1 3.44Å
284	G	94.3	Very high	94.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.07	C	C	.	.			trans	-82.4	1.9	177.5	0	0	0	0	0	114.7	L286 A287 L288 E303	G284-L286 PolarHBondContact O-N 3.39Å; G284-A287 PolarHBondContact O-N 3.41Å; G284-L288 VanDerWaalsContact O-CB 3.31Å; G284-L288 WeakPolarHBondContact O-CB 3.31Å; G284-L288 PolarHBondContact O-N 2.85Å; G284-E303 VanDerWaalsContact CA-OE2 3.29Å; G284-E303 WeakPolarHBondContact CA-OE2 3.32Å; G284-E303 VanDerWaalsContact N-CD 3.31Å; G284-E303 PolarHBondContact N-OE1 2.87Å; G284-E303 PolarHBondContact N-OE2 3.42Å
285	Y	95.1	Very high	93.8	Very high	14 Å²	14	15.8 Å²	15.8	6%	0.055	8%	0.079	C	C	.	.	H	α-helix	trans	-59.3	-48.1	-168.9	-174.4	-91.7	0	0	0	113.1	N238 M245 T249 L253 C283 A287 L288 V289 F449	N238-Y285 HydrophobicContact CB-CD1 3.65Å; N238-Y285 HydrophobicContact CB-CE1 4.23Å; N238-Y285 HydrophobicContact CB-CG 3.87Å; N238-Y285 WeakPolarHBondContact ND2-CE1 3.31Å; N238-Y285 WeakPolarHBondContact ND2-CE2 3.36Å; N238-Y285 VanDerWaalsContact ND2-CZ 3.34Å; M245-Y285 HydrophobicContact SD-CE1 4.17Å; T249-Y285 HydrophobicContact CG2-CD1 3.79Å; T249-Y285 HydrophobicContact CG2-CE1 3.58Å; L253-Y285 HydrophobicContact CD1-CE1 4.44Å; C283-Y285 VanDerWaalsContact C-N 3.29Å; C283-Y285 PolarHBondContact O-N 3.06Å; C283-Y285 VanDerWaalsContact SG-CB 3.58Å; Y285-A287 PolarHBondContact O-N 2.96Å; Y285-L288 PolarHBondContact O-N 3.22Å; Y285-V289 HydrophobicContact CD1-CG2 4.17Å; Y285-V289 HydrophobicContact CD2-CG2 4.4Å; Y285-V289 HydrophobicContact CE1-CG2 3.75Å; Y285-V289 HydrophobicContact CE2-CG2 4.05Å; Y285-V289 HydrophobicContact CG-CG2 4.47Å; Y285-V289 WeakPolarHBondContact O-CG2 3.5Å; Y285-V289 PolarHBondContact O-N 3.46Å; Y285-F449 AromaticContact CD2-CD2 3.92Å; Y285-F449 HydrophobicContact CD2-CD2 3.92Å; Y285-F449 HydrophobicContact CD2-CE2 4.4Å
286	L	96.2	Very high	93.6	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.8	-45.5	178.1	-71.5	-179.6	0	0	0	111.5	I236 T249 A252 L253 I256 V278 M279 G284 T290	I236-L286 HydrophobicContact CD1-CD1 4.35Å; I236-L286 VanDerWaalsContact O-CD1 3.31Å; I236-L286 WeakPolarHBondContact O-CD1 3.29Å; I236-L286 WeakPolarHBondContact O-CG 3.47Å; T249-L286 HydrophobicContact CG2-CD2 4.11Å; A252-L286 HydrophobicContact CB-CD1 4.39Å; A252-L286 HydrophobicContact CB-CD2 4.17Å; L253-L286 HydrophobicContact CD2-CD2 3.73Å; L253-L286 HydrophobicContact CG-CD2 3.68Å; I256-L286 HydrophobicContact CD1-CB 4.14Å; I256-L286 HydrophobicContact CD1-CD1 4.28Å; I256-L286 HydrophobicContact CD1-CD2 4.16Å; I256-L286 HydrophobicContact CD1-CG 4.44Å; V278-L286 HydrophobicContact CG1-CB 3.75Å; M279-L286 WeakPolarHBondContact O-CB 3.24Å; M279-L286 VanDerWaalsContact O-CD1 3.32Å; M279-L286 WeakPolarHBondContact O-CD1 3.21Å; G284-L286 PolarHBondContact O-N 3.39Å; L286-T290 WeakPolarHBondContact O-CB 3.31Å; L286-T290 PolarHBondContact O-N 2.79Å; L286-T290 PolarHBondContact O-OG1 3.28Å
287	A	96.3	Very high	93.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63	-42.8	177.4	0	0	0	0	0	112.4	G284 Y285 S291 V299 I301 I332 A334	G284-A287 PolarHBondContact O-N 3.41Å; Y285-A287 PolarHBondContact O-N 2.96Å; A287-S291 WeakPolarHBondContact O-CB 3.49Å; A287-S291 PolarHBondContact O-N 3.21Å; A287-V299 HydrophobicContact CB-CG2 3.93Å; A287-V299 WeakPolarHBondContact O-CG2 3.44Å; A287-I301 HydrophobicContact CB-CG2 4.18Å; A287-I332 HydrophobicContact CB-CG2 3.82Å; A287-A334 HydrophobicContact CB-CB 3.86Å
288	L	95.4	Very high	93.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-67.5	-47.1	179.5	177.1	55.9	0	0	0	112.7	G284 Y285 T290 S291 L292 I301 F449 N452 W453 Y456	G284-L288 VanDerWaalsContact O-CB 3.31Å; G284-L288 WeakPolarHBondContact O-CB 3.31Å; G284-L288 PolarHBondContact O-N 2.85Å; Y285-L288 PolarHBondContact O-N 3.22Å; L288-T290 VanDerWaalsContact C-N 3.32Å; L288-S291 PolarHBondContact O-N 3.36Å; L288-S291 PolarHBondContact O-OG 3.05Å; L288-L292 PolarHBondContact O-N 2.86Å; L288-L292 VanDerWaalsContact O-N 3.17Å; L288-I301 HydrophobicContact CB-CG2 4.5Å; L288-F449 HydrophobicContact CD2-CD1 4.04Å; L288-F449 HydrophobicContact CD2-CE1 3.74Å; L288-F449 HydrophobicContact CD2-CE2 4.49Å; L288-F449 HydrophobicContact CD2-CZ 3.98Å; L288-N452 HydrophobicContact CD2-CB 3.85Å; L288-N452 HydrophobicContact CG-CB 4.1Å; L288-W453 HydrophobicContact CD1-CE3 3.86Å; L288-W453 HydrophobicContact CD1-CZ3 4.49Å; L288-W453 HydrophobicContact CD2-CB 4.13Å; L288-Y456 HydrophobicContact CD1-CG 4.05Å
289	V	95.3	Very high	93	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.012	8%	0.079	C	C	.	.	H	α-helix	trans	-69	-35.3	177.8	175.9	0	0	0	0	111	L253 Y285 S293 N745	L253-V289 HydrophobicContact CD1-CB 4.14Å; L253-V289 HydrophobicContact CD1-CG1 3.62Å; L253-V289 HydrophobicContact CD2-CB 3.94Å; L253-V289 HydrophobicContact CD2-CG1 3.92Å; L253-V289 HydrophobicContact CG-CG1 4.42Å; Y285-V289 HydrophobicContact CD1-CG2 4.17Å; Y285-V289 HydrophobicContact CD2-CG2 4.4Å; Y285-V289 HydrophobicContact CE1-CG2 3.75Å; Y285-V289 HydrophobicContact CE2-CG2 4.05Å; Y285-V289 HydrophobicContact CG-CG2 4.47Å; Y285-V289 WeakPolarHBondContact O-CG2 3.5Å; Y285-V289 PolarHBondContact O-N 3.46Å; V289-S293 VanDerWaalsContact O-CB 3.24Å; V289-S293 WeakPolarHBondContact O-CB 3.39Å; V289-S293 PolarHBondContact O-N 3.22Å; V289-S293 PolarHBondContact O-OG 3.25Å; V289-N745 HydrophobicContact CG1-CB 4.21Å
290	T	95.4	Very high	93	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-61	-47	171.4	-63.3	0	0	0	0	111.3	I256 I257 V260 L286 L288 L292 S293 C294 I332	I256-T290 HydrophobicContact CG2-CG2 3.52Å; I256-T290 WeakPolarHBondContact CG2-OG1 3.27Å; I257-T290 HydrophobicContact CD1-CG2 4.19Å; V260-T290 HydrophobicContact CG2-CG2 4.1Å; L286-T290 WeakPolarHBondContact O-CB 3.31Å; L286-T290 PolarHBondContact O-N 2.79Å; L286-T290 PolarHBondContact O-OG1 3.28Å; L288-T290 VanDerWaalsContact C-N 3.32Å; T290-L292 VanDerWaalsContact C-N 3.33Å; T290-L292 PolarHBondContact O-N 2.91Å; T290-S293 PolarHBondContact O-N 3.13Å; T290-S293 VanDerWaalsContact O-N 3.1Å; T290-C294 PolarHBondContact O-N 3.16Å; T290-C294 PolarHBondContact O-SG 3.16Å; T290-I332 HydrophobicContact CG2-CD1 3.95Å; T290-I332 HydrophobicContact CG2-CG1 4.21Å; T290-I332 HydrophobicContact CG2-CG2 4.41Å
291	S	94.2	Very high	93.2	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.007	8%	0.075	C	C	.	.	H	α-helix	trans	-63.3	-37.1	-177.1	76.8	0	0	0	0	112.4	A287 L288 G295 A296 Y456	A287-S291 WeakPolarHBondContact O-CB 3.49Å; A287-S291 PolarHBondContact O-N 3.21Å; L288-S291 PolarHBondContact O-N 3.36Å; L288-S291 PolarHBondContact O-OG 3.05Å; S291-G295 CarbonylContact O-C 3.57Å; S291-G295 WeakPolarHBondContact O-CA 3.3Å; S291-G295 PolarHBondContact O-N 3.39Å; S291-A296 PolarHBondContact O-N 3.23Å; S291-Y456 WeakPolarHBondContact OG-CD2 3.44Å; S291-Y456 VanDerWaalsContact OG-CE2 3.29Å; S291-Y456 WeakPolarHBondContact OG-CE2 3.49Å
292	L	92.7	Very high	93.4	Very high	4 Å²	4	10.8 Å²	10.8	2%	0.021	6%	0.061	C	C	.	.	H	α-helix	trans	-65	-47	170	-72.3	171.3	0	0	0	112	L288 T290 G295 N452 V455 Y456 L459 T748	L288-L292 PolarHBondContact O-N 2.86Å; L288-L292 VanDerWaalsContact O-N 3.17Å; T290-L292 VanDerWaalsContact C-N 3.33Å; T290-L292 PolarHBondContact O-N 2.91Å; L292-G295 PolarHBondContact O-N 3.1Å; L292-N452 HydrophobicContact CD1-CB 3.89Å; L292-V455 HydrophobicContact CD2-CG1 4.04Å; L292-Y456 HydrophobicContact CD2-CD2 4.35Å; L292-L459 HydrophobicContact CD2-CD1 4.39Å; L292-T748 HydrophobicContact CD2-CG2 4.48Å
293	S	92.6	Very high	93.5	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-74.5	-26.3	-171.9	-60.9	0	0	0	0	114.4	V289 T290 T531 P741 R744	V289-S293 VanDerWaalsContact O-CB 3.24Å; V289-S293 WeakPolarHBondContact O-CB 3.39Å; V289-S293 PolarHBondContact O-N 3.22Å; V289-S293 PolarHBondContact O-OG 3.25Å; T290-S293 PolarHBondContact O-N 3.13Å; T290-S293 VanDerWaalsContact O-N 3.1Å; S293-T531 WeakPolarHBondContact O-CG2 3.37Å; S293-P741 PolarHBondContact OG-O 2.62Å; S293-R744 WeakPolarHBondContact O-CD 3.43Å
294	C	90.4	Very high	93.4	Very high	23 Å²	23	6.8 Å²	6.8	16%	0.155	5%	0.045	C	C	.	.	H	α-helix	trans	-96.7	-22.7	168.6	68.6	0	0	0	0	113.1	I257 V260 T290	I257-C294 HydrophobicContact CD1-CB 4.45Å; V260-C294 HydrophobicContact CG1-CB 3.49Å; V260-C294 VanDerWaalsContact CG1-CB 3.49Å; T290-C294 PolarHBondContact O-N 3.16Å; T290-C294 PolarHBondContact O-SG 3.16Å
295	G	87.4	Confident	93.3	Very high	25 Å²	25	7 Å²	7	26%	0.258	5%	0.046	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	43.4	-177	0	0	0	0	0	113.9	S291 L292	S291-G295 CarbonylContact O-C 3.57Å; S291-G295 WeakPolarHBondContact O-CA 3.3Å; S291-G295 PolarHBondContact O-N 3.39Å; L292-G295 PolarHBondContact O-N 3.1Å
296	A	91.1	Very high	93	Very high	6 Å²	6	7.1 Å²	7.1	5%	0.05	5%	0.048	C	C	.	.			trans	-62.5	152.6	-173	0	0	0	0	0	115.3	S291 R317 I330 I332	S291-A296 PolarHBondContact O-N 3.23Å; A296-R317 PolarHBondContact O-NH2 2.95Å; A296-I330 HydrophobicContact CB-CB 4.46Å; A296-I330 HydrophobicContact CB-CG2 4.2Å; A296-I330 WeakPolarHBondContact CB-O 3.37Å; A296-I332 HydrophobicContact CB-CG1 3.79Å
297	D	90.1	Very high	92.6	Very high	15 Å²	15	11.1 Å²	11.1	8%	0.08	7%	0.07	C	C	.	.	S	Bend	trans	-79.3	-15.8	176.1	-72.8	-66.7	0	0	0	114.5	R317 L318 T321 N329 I330	D297-R317 VanDerWaalsContact C-CZ 3.48Å; D297-R317 WeakPolarHBondContact O-CD 3.46Å; D297-R317 PolarHBondContact O-NE 3.43Å; D297-R317 PolarHBondContact O-NH1 2.89Å; D297-R317 PolarHBondContact O-NH2 3.4Å; D297-R317 VanDerWaalsContact O-NH2 3.09Å; D297-L318 HydrophobicContact CB-CD2 3.94Å; D297-T321 VanDerWaalsContact OD1-CB 3.3Å; D297-T321 WeakPolarHBondContact OD1-CB 3.46Å; D297-T321 WeakPolarHBondContact OD1-CG2 3.49Å; D297-T321 PolarHBondContact OD1-OG1 3.32Å; D297-N329 WeakPolarHBondContact OD2-CA 3.32Å; D297-N329 PolarHBondContact OD2-ND2 2.85Å; D297-I330 WeakPolarHBondContact CA-O 3.5Å; D297-I330 WeakPolarHBondContact CB-O 3.24Å; D297-I330 PolarHBondContact N-O 2.82Å; D297-I330 PolarHBondContact OD2-N 3.3Å
298	W	92.8	Very high	92.1	Very high	13 Å²	13	16.1 Å²	16.1	5%	0.049	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	155.5	165.8	-154.2	-88.2	0	0	0	110.4	F300 H313 L314 R317 I330 I331 I332 Y456 H461	W298-F300 HydrophobicContact CB-CE2 4.45Å; W298-F300 AromaticContact CD1-CD2 3.54Å; W298-F300 AromaticContact CD1-CE1 3.94Å; W298-F300 AromaticContact CD1-CE2 3.23Å; W298-F300 AromaticContact CD1-CZ 3.45Å; W298-F300 VanDerWaalsContact CD1-CZ 3.45Å; W298-F300 HydrophobicContact CG-CE2 4.02Å; W298-F300 HydrophobicContact CG-CZ 4.28Å; W298-F300 AromaticContact NE1-CE1 3.68Å; W298-F300 AromaticContact NE1-CE2 3.86Å; W298-F300 AromaticContact NE1-CZ 3.57Å; W298-H313 HydrophobicContact CH2-CB 4.06Å; W298-H313 AromaticContact CH2-CD2 3.72Å; W298-H313 AromaticContact CH2-CG 3.62Å; W298-H313 AromaticContact CH2-ND1 3.86Å; W298-H313 HydrophobicContact CZ3-CB 4.5Å; W298-H313 AromaticContact CZ3-CD2 3.64Å; W298-H313 AromaticContact CZ3-CG 3.99Å; W298-L314 HydrophobicContact CB-CD1 3.69Å; W298-L314 HydrophobicContact CD2-CD1 3.92Å; W298-L314 HydrophobicContact CE3-CD1 3.92Å; W298-L314 HydrophobicContact CG-CD1 3.82Å; W298-R317 HydrophobicContact CZ3-CB 4.48Å; W298-I330 PolarHBondContact N-O 2.9Å; W298-I331 HydrophobicContact CB-CG1 4.26Å; W298-I331 HydrophobicContact CB-CG2 4.24Å; W298-I332 PolarHBondContact O-N 3.1Å; W298-Y456 VanDerWaalsContact C-OH 3.29Å; W298-Y456 VanDerWaalsContact CA-OH 3.25Å; W298-Y456 WeakPolarHBondContact CA-OH 3.44Å; W298-H461 AromaticContact CE2-CE1 3.95Å; W298-H461 AromaticContact CE3-CE1 3.84Å; W298-H461 AromaticContact CH2-CE1 3.35Å; W298-H461 WeakPolarHBondContact CH2-CE1 3.49Å; W298-H461 AromaticContact CH2-ND1 3.64Å; W298-H461 AromaticContact CZ2-CE1 3.61Å; W298-H461 AromaticContact CZ3-CE1 3.47Å; W298-H461 VanDerWaalsContact CZ3-CE1 3.47Å; W298-H461 WeakPolarHBondContact CZ3-CE1 3.41Å; W298-H461 AromaticContact CZ3-ND1 3.63Å
299	V	94.9	Very high	91.7	Very high	5 Å²	5	22.2 Å²	22.2	3%	0.03	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	134.6	167.4	74.6	0	0	0	0	109.2	A287 I301 I332 W453 Y456	A287-V299 HydrophobicContact CB-CG2 3.93Å; A287-V299 WeakPolarHBondContact O-CG2 3.44Å; V299-I301 HydrophobicContact CG2-CG2 3.96Å; V299-I332 CarbonylContact C-O 3.53Å; V299-I332 VanDerWaalsContact CA-O 3.27Å; V299-I332 WeakPolarHBondContact CA-O 3.28Å; V299-I332 HydrophobicContact CG2-CB 4.15Å; V299-I332 HydrophobicContact CG2-CG2 4.32Å; V299-W453 HydrophobicContact CG1-CZ3 3.8Å; V299-Y456 HydrophobicContact CB-CE1 4.43Å; V299-Y456 HydrophobicContact CB-CE2 4.31Å; V299-Y456 HydrophobicContact CG1-CD1 3.91Å; V299-Y456 HydrophobicContact CG1-CD2 4.4Å; V299-Y456 HydrophobicContact CG1-CE1 3.46Å; V299-Y456 VanDerWaalsContact CG1-CE1 3.46Å; V299-Y456 HydrophobicContact CG1-CE2 4Å; V299-Y456 HydrophobicContact CG1-CG 4.38Å; V299-Y456 PolarHBondContact N-OH 3.03Å; V299-Y456 VanDerWaalsContact N-OH 3.15Å
300	F	95.4	Very high	91.4	Very high	3 Å²	3	23.6 Å²	23.6	1%	0.013	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123.7	170	-65.6	-91.7	0	0	0	108.9	W298 P306 W310 L314 I331 I332 V333 A334 A337 I345 I350	W298-F300 HydrophobicContact CB-CE2 4.45Å; W298-F300 AromaticContact CD1-CD2 3.54Å; W298-F300 AromaticContact CD1-CE1 3.94Å; W298-F300 AromaticContact CD1-CE2 3.23Å; W298-F300 AromaticContact CD1-CZ 3.45Å; W298-F300 VanDerWaalsContact CD1-CZ 3.45Å; W298-F300 HydrophobicContact CG-CE2 4.02Å; W298-F300 HydrophobicContact CG-CZ 4.28Å; W298-F300 AromaticContact NE1-CE1 3.68Å; W298-F300 AromaticContact NE1-CE2 3.86Å; W298-F300 AromaticContact NE1-CZ 3.57Å; F300-P306 HydrophobicContact CD1-CG 4.16Å; F300-P306 HydrophobicContact CE1-CG 4.08Å; F300-W310 HydrophobicContact CE1-CD2 4.12Å; F300-W310 AromaticContact CE1-CE3 3.6Å; F300-W310 HydrophobicContact CE1-CE3 3.6Å; F300-W310 HydrophobicContact CE1-CH2 4.37Å; F300-W310 AromaticContact CE1-CZ3 3.76Å; F300-W310 HydrophobicContact CE1-CZ3 3.76Å; F300-W310 AromaticContact CZ-CE3 3.6Å; F300-W310 HydrophobicContact CZ-CE3 3.6Å; F300-W310 HydrophobicContact CZ-CH2 4.36Å; F300-W310 AromaticContact CZ-CZ3 3.49Å; F300-W310 HydrophobicContact CZ-CZ3 3.49Å; F300-W310 VanDerWaalsContact CZ-CZ3 3.49Å; F300-L314 HydrophobicContact CZ-CD2 4.27Å; F300-I331 HydrophobicContact CD2-CG2 4.02Å; F300-I331 HydrophobicContact CE2-CG2 3.75Å; F300-I332 PolarHBondContact N-O 2.95Å; F300-V333 HydrophobicContact CB-CG1 4.3Å; F300-V333 HydrophobicContact CD2-CG2 4.12Å; F300-A334 WeakPolarHBondContact O-CB 3.48Å; F300-A334 PolarHBondContact O-N 2.85Å; F300-A337 HydrophobicContact CB-CB 3.82Å; F300-I345 HydrophobicContact CD1-CD1 4.01Å; F300-I345 HydrophobicContact CD1-CG2 4.3Å; F300-I345 HydrophobicContact CE1-CD1 4.26Å; F300-I345 HydrophobicContact CE1-CG2 4.35Å; F300-I350 HydrophobicContact CD2-CD1 3.68Å; F300-I350 HydrophobicContact CE2-CD1 3.49Å; F300-I350 VanDerWaalsContact CE2-CD1 3.49Å; F300-I350 HydrophobicContact CE2-CG1 4.16Å; F300-I350 HydrophobicContact CG-CD1 4.32Å; F300-I350 HydrophobicContact CZ-CD1 4Å; F300-I350 HydrophobicContact CZ-CG1 4.29Å
301	I	95.3	Very high	91.2	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.01	15%	0.151	C	C	.	.			trans	-133.6	143.8	-179.6	57.9	171.3	0	0	0	110.6	A287 L288 V299 E303 C304 F449 W453	A287-I301 HydrophobicContact CB-CG2 4.18Å; L288-I301 HydrophobicContact CB-CG2 4.5Å; V299-I301 HydrophobicContact CG2-CG2 3.96Å; I301-E303 VanDerWaalsContact C-N 3.32Å; I301-E303 PolarHBondContact O-N 3.41Å; I301-C304 HydrophobicContact CD1-CB 4.08Å; I301-C304 HydrophobicContact CG1-CB 4.19Å; I301-C304 CarbonylContact O-C 3.54Å; I301-C304 PolarHBondContact O-N 2.93Å; I301-F449 HydrophobicContact CD1-CE1 4.21Å; I301-F449 HydrophobicContact CD1-CZ 4.28Å; I301-W453 HydrophobicContact CD1-CD2 4.11Å; I301-W453 HydrophobicContact CD1-CE3 3.78Å; I301-W453 HydrophobicContact CD1-CH2 4.13Å; I301-W453 HydrophobicContact CD1-CZ2 4.41Å; I301-W453 HydrophobicContact CD1-CZ3 3.79Å; I301-W453 HydrophobicContact CG1-CH2 4.41Å; I301-W453 HydrophobicContact CG1-CZ3 4.35Å
302	P	94.1	Very high	90.9	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.026	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-31.9	177.9	19.8	-28.3	0	0	0	113.9	H282 C304 P305 G336 M433	H282-P302 WeakPolarHBondContact O-CG 3.49Å; P302-C304 VanDerWaalsContact C-N 3.26Å; P302-C304 PolarHBondContact O-N 3.05Å; P302-P305 WeakPolarHBondContact O-CD 3.43Å; P302-P305 WeakPolarHBondContact O-CG 3.37Å; P302-G336 WeakPolarHBondContact CB-O 3.38Å; P302-M433 HydrophobicContact CB-SD 4.14Å
303	E	92.3	Very high	90.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-14.7	-176.5	-58.9	92.2	159.2	0	0	113.8	C283 G284 I301 M433 L442 R445 F449	C283-E303 VanDerWaalsContact CA-OE1 3.27Å; C283-E303 WeakPolarHBondContact CA-OE1 3.44Å; G284-E303 VanDerWaalsContact CA-OE2 3.29Å; G284-E303 WeakPolarHBondContact CA-OE2 3.32Å; G284-E303 VanDerWaalsContact N-CD 3.31Å; G284-E303 PolarHBondContact N-OE1 2.87Å; G284-E303 PolarHBondContact N-OE2 3.42Å; I301-E303 VanDerWaalsContact C-N 3.32Å; I301-E303 PolarHBondContact O-N 3.41Å; E303-M433 HydrophobicContact CG-SD 4.2Å; E303-L442 HydrophobicContact CB-CD2 3.65Å; E303-L442 HydrophobicContact CB-CG 4.16Å; E303-L442 WeakPolarHBondContact O-CG 3.41Å; E303-R445 HydrophobicContact CG-CG 4.08Å; E303-R445 IonicContact OE1-CZ 3.73Å; E303-R445 IonicContact OE1-NE 2.78Å; E303-R445 PolarHBondContact OE1-NE 3.4Å; E303-R445 IonicContact OE1-NH2 3.28Å; E303-R445 PolarHBondContact OE1-NH2 2.92Å; E303-F449 HydrophobicContact CB-CE1 4.33Å; E303-F449 HydrophobicContact CB-CZ 4.28Å; E303-F449 HydrophobicContact CG-CZ 4.13Å
304	C	90.8	Very high	90.7	Very high	26 Å²	26	35.9 Å²	35.9	18%	0.176	19%	0.191	C	C	.	.	S	Bend	trans	-143.8	78.3	173.4	-152.8	0	0	0	0	109.9	I301 P302 L442 W453	I301-C304 HydrophobicContact CD1-CB 4.08Å; I301-C304 HydrophobicContact CG1-CB 4.19Å; I301-C304 CarbonylContact O-C 3.54Å; I301-C304 PolarHBondContact O-N 2.93Å; P302-C304 VanDerWaalsContact C-N 3.26Å; P302-C304 PolarHBondContact O-N 3.05Å; C304-L442 HydrophobicContact CB-CD1 4.14Å; C304-L442 HydrophobicContact CB-CD2 4.5Å; C304-W453 HydrophobicContact CB-CH2 4.19Å; C304-W453 HydrophobicContact CB-CZ2 3.37Å; C304-W453 WeakPolarHBondContact SG-CZ2 3.27Å; C304-W453 PolarHBondContact SG-NE1 3.11Å; C304-W453 VanDerWaalsContact SG-NE1 3.43Å
305	P	91	Very high	90.7	Very high	4 Å²	4	35.2 Å²	35.2	3%	0.026	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-58.8	142.9	176.4	-26.1	39	0	0	0	110.8	P302 I338 R340 F438	P302-P305 WeakPolarHBondContact O-CD 3.43Å; P302-P305 WeakPolarHBondContact O-CG 3.37Å; P305-I338 WeakPolarHBondContact CB-O 3.32Å; P305-I338 HydrophobicContact CG-CD1 4.23Å; P305-I338 HydrophobicContact CG-CG1 3.99Å; P305-R340 HydrophobicContact CB-CG 4.08Å; P305-F438 VanDerWaalsContact CD-CD1 3.46Å; P305-F438 HydrophobicContact CG-CD1 3.73Å; P305-F438 HydrophobicContact CG-CD2 4.26Å; P305-F438 HydrophobicContact CG-CE1 3.52Å; P305-F438 HydrophobicContact CG-CE2 4.06Å; P305-F438 HydrophobicContact CG-CG 4.11Å; P305-F438 HydrophobicContact CG-CZ 3.7Å
306	P	89.7	Confident	90.8	Very high	16 Å²	16	38 Å²	38	10%	0.104	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-71.8	158.1	-174.2	36.7	-40.5	0	0	0	111	F300 W310 I345	F300-P306 HydrophobicContact CD1-CG 4.16Å; F300-P306 HydrophobicContact CE1-CG 4.08Å; P306-W310 HydrophobicContact CB-CB 3.62Å; P306-W310 HydrophobicContact CB-CG 4Å; P306-W310 HydrophobicContact CG-CB 4.01Å; P306-W310 HydrophobicContact CG-CD2 4.31Å; P306-W310 HydrophobicContact CG-CG 3.8Å; P306-I345 HydrophobicContact CG-CD1 3.79Å
307	D	87.6	Confident	90.6	Very high	85 Å²	85	38.7 Å²	38.7	46%	0.455	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-61	160.1	175.6	-55.5	-75.3	0	0	0	111.9	D309 W310 R340	D307-D309 PolarHBondContact O-N 3.07Å; D307-D309 VanDerWaalsContact O-N 3.11Å; D307-W310 WeakPolarHBondContact O-CB 3.43Å; D307-W310 VanDerWaalsContact O-CD1 3.25Å; D307-W310 PolarHBondContact O-N 3.4Å; D307-R340 IonicContact OD1-CZ 3.72Å; D307-R340 IonicContact OD1-NH1 3.8Å; D307-R340 PolarHBondContact OD1-NH1 2.92Å; D307-R340 VanDerWaalsContact OD1-NH1 3.13Å; D307-R340 IonicContact OD1-NH2 2.83Å; D307-R340 PolarHBondContact OD1-NH2 2.85Å
308	D	84.6	Confident	90.6	Very high	105 Å²	105	38 Å²	38	56%	0.561	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.8	-175.2	-57.2	-59.6	0	0	0	112.8	W310	D308-W310 PolarHBondContact O-N 3.03Å
309	D	87.3	Confident	90.4	Very high	128 Å²	128	39 Å²	39	68%	0.684	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	8.3	179.4	-42.1	-25.5	0	0	0	114.2	D307 E311 E312 H313	D307-D309 PolarHBondContact O-N 3.07Å; D307-D309 VanDerWaalsContact O-N 3.11Å; D309-E311 PolarHBondContact O-N 2.86Å; D309-E311 VanDerWaalsContact O-N 3.07Å; D309-E312 PolarHBondContact O-N 2.91Å; D309-H313 PolarHBondContact O-N 3.43Å
310	W	89.4	Confident	89.9	Confident	30 Å²	30	40.5 Å²	40.5	11%	0.114	20%	0.203	C	C	.	.	H	α-helix	trans	-57.8	-30.5	-167.7	71.3	-89.4	0	0	0	114.4	F300 P306 D307 D308 E312 H313 L314 I345 I350 L353	F300-W310 HydrophobicContact CE1-CD2 4.12Å; F300-W310 AromaticContact CE1-CE3 3.6Å; F300-W310 HydrophobicContact CE1-CE3 3.6Å; F300-W310 HydrophobicContact CE1-CH2 4.37Å; F300-W310 AromaticContact CE1-CZ3 3.76Å; F300-W310 HydrophobicContact CE1-CZ3 3.76Å; F300-W310 AromaticContact CZ-CE3 3.6Å; F300-W310 HydrophobicContact CZ-CE3 3.6Å; F300-W310 HydrophobicContact CZ-CH2 4.36Å; F300-W310 AromaticContact CZ-CZ3 3.49Å; F300-W310 HydrophobicContact CZ-CZ3 3.49Å; F300-W310 VanDerWaalsContact CZ-CZ3 3.49Å; P306-W310 HydrophobicContact CB-CB 3.62Å; P306-W310 HydrophobicContact CB-CG 4Å; P306-W310 HydrophobicContact CG-CB 4.01Å; P306-W310 HydrophobicContact CG-CD2 4.31Å; P306-W310 HydrophobicContact CG-CG 3.8Å; D307-W310 WeakPolarHBondContact O-CB 3.43Å; D307-W310 VanDerWaalsContact O-CD1 3.25Å; D307-W310 PolarHBondContact O-N 3.4Å; D308-W310 PolarHBondContact O-N 3.03Å; W310-E312 VanDerWaalsContact C-N 3.29Å; W310-E312 PolarHBondContact O-N 2.89Å; W310-H313 PolarHBondContact O-N 3.49Å; W310-L314 HydrophobicContact CE3-CB 4.46Å; W310-L314 HydrophobicContact CE3-CD2 4.32Å; W310-L314 HydrophobicContact CZ3-CD2 3.91Å; W310-L314 VanDerWaalsContact O-CB 3.25Å; W310-L314 WeakPolarHBondContact O-CB 3.45Å; W310-L314 PolarHBondContact O-N 2.95Å; W310-I345 HydrophobicContact CH2-CG2 4.07Å; W310-I345 HydrophobicContact CZ2-CD1 4.41Å; W310-I345 HydrophobicContact CZ2-CG2 4.18Å; W310-I350 HydrophobicContact CH2-CG1 4.11Å; W310-I350 HydrophobicContact CZ3-CG1 4.27Å; W310-L353 HydrophobicContact CE3-CD2 4.47Å; W310-L353 HydrophobicContact CH2-CD2 3.89Å; W310-L353 HydrophobicContact CZ3-CD2 3.68Å
311	E	90.8	Very high	89.4	Confident	77 Å²	77	41.6 Å²	41.6	36%	0.36	21%	0.21	S	C	.	.	H	α-helix	trans	-58.7	-43.2	178.2	-67.7	-165.2	-170.1	0	0	111.6	D309 C315 L353 R357	D309-E311 PolarHBondContact O-N 2.86Å; D309-E311 VanDerWaalsContact O-N 3.07Å; E311-C315 WeakPolarHBondContact O-CB 3.35Å; E311-C315 PolarHBondContact O-N 3.4Å; E311-C315 VanDerWaalsContact O-N 3.13Å; E311-C315 PolarHBondContact O-SG 2.9Å; E311-L353 HydrophobicContact CB-CD1 3.98Å; E311-L353 HydrophobicContact CB-CD2 3.87Å; E311-L353 HydrophobicContact CG-CD1 4.09Å; E311-L353 HydrophobicContact CG-CD2 3.79Å; E311-L353 VanDerWaalsContact OE2-CD1 3.26Å; E311-L353 WeakPolarHBondContact OE2-CD1 3.25Å; E311-R357 IonicContact OE2-CZ 3.72Å; E311-R357 IonicContact OE2-NE 3.95Å; E311-R357 IonicContact OE2-NH2 3.65Å; E311-R357 PolarHBondContact OE2-NH2 3.47Å
312	E	89.3	Confident	88.9	Confident	133 Å²	133	44.2 Å²	44.2	62%	0.621	22%	0.22	S	C	*	.	H	α-helix	trans	-75.7	-41.1	178.4	-173.9	173.6	161	0	0	111.2	D309 W310 L314 C315 R316	D309-E312 PolarHBondContact O-N 2.91Å; W310-E312 VanDerWaalsContact C-N 3.29Å; W310-E312 PolarHBondContact O-N 2.89Å; E312-L314 VanDerWaalsContact C-N 3.34Å; E312-L314 PolarHBondContact O-N 3.35Å; E312-C315 PolarHBondContact O-N 3.37Å; E312-R316 WeakPolarHBondContact O-CB 3.24Å; E312-R316 PolarHBondContact O-N 3.14Å
313	H	88.6	Confident	88.4	Confident	53 Å²	53	49.8 Å²	49.8	25%	0.245	25%	0.254	C	S	.	.	H	α-helix	trans	-58.1	-47.5	175.7	-164.3	158.6	0	0	0	111	W298 D309 W310 R316 R317 H461	W298-H313 HydrophobicContact CH2-CB 4.06Å; W298-H313 AromaticContact CH2-CD2 3.72Å; W298-H313 AromaticContact CH2-CG 3.62Å; W298-H313 AromaticContact CH2-ND1 3.86Å; W298-H313 HydrophobicContact CZ3-CB 4.5Å; W298-H313 AromaticContact CZ3-CD2 3.64Å; W298-H313 AromaticContact CZ3-CG 3.99Å; D309-H313 PolarHBondContact O-N 3.43Å; W310-H313 PolarHBondContact O-N 3.49Å; H313-R316 PolarHBondContact CD2-NH2 3.46Å; H313-R316 PolarHBondContact NE2-NH2 3.43Å; H313-R316 VanDerWaalsContact NE2-NH2 3.14Å; H313-R316 PolarHBondContact O-N 3.47Å; H313-R317 WeakPolarHBondContact O-CB 3.39Å; H313-R317 PolarHBondContact O-N 3.13Å; H313-H461 AromaticContact NE2-ND1 3.93Å
314	L	90.9	Very high	87.8	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-58.1	-52.1	175.4	177.7	65.7	0	0	0	110.7	W298 F300 W310 E312 R316 R317 L318 I331 I350 L353 V354	W298-L314 HydrophobicContact CB-CD1 3.69Å; W298-L314 HydrophobicContact CD2-CD1 3.92Å; W298-L314 HydrophobicContact CE3-CD1 3.92Å; W298-L314 HydrophobicContact CG-CD1 3.82Å; F300-L314 HydrophobicContact CZ-CD2 4.27Å; W310-L314 HydrophobicContact CE3-CB 4.46Å; W310-L314 HydrophobicContact CE3-CD2 4.32Å; W310-L314 HydrophobicContact CZ3-CD2 3.91Å; W310-L314 VanDerWaalsContact O-CB 3.25Å; W310-L314 WeakPolarHBondContact O-CB 3.45Å; W310-L314 PolarHBondContact O-N 2.95Å; E312-L314 VanDerWaalsContact C-N 3.34Å; E312-L314 PolarHBondContact O-N 3.35Å; L314-R316 VanDerWaalsContact C-N 3.34Å; L314-R316 PolarHBondContact O-N 3.42Å; L314-R317 PolarHBondContact O-N 2.98Å; L314-R317 VanDerWaalsContact O-N 3.15Å; L314-L318 HydrophobicContact CD1-CD1 3.9Å; L314-L318 HydrophobicContact CD1-CD2 4.39Å; L314-L318 HydrophobicContact CD1-CG 4Å; L314-L318 HydrophobicContact CD2-CD1 4.49Å; L314-L318 HydrophobicContact CG-CD1 3.82Å; L314-L318 HydrophobicContact CG-CG 4.32Å; L314-L318 VanDerWaalsContact O-CG 3.29Å; L314-L318 WeakPolarHBondContact O-CG 3.24Å; L314-L318 PolarHBondContact O-N 3.15Å; L314-I331 HydrophobicContact CD1-CD1 4.12Å; L314-I331 HydrophobicContact CD1-CG1 4.33Å; L314-I331 HydrophobicContact CD2-CD1 4.39Å; L314-I350 HydrophobicContact CD2-CG2 4.12Å; L314-L353 HydrophobicContact CD2-CD2 4.2Å; L314-V354 HydrophobicContact CD2-CG2 4.41Å
315	C	90.7	Very high	87.3	Confident	10 Å²	10	55.6 Å²	55.6	7%	0.068	29%	0.29	C	S	.	.	H	α-helix	trans	-61.1	-42	-177.7	-70.7	0	0	0	0	112.6	E311 E312 S319 L358	E311-C315 WeakPolarHBondContact O-CB 3.35Å; E311-C315 PolarHBondContact O-N 3.4Å; E311-C315 VanDerWaalsContact O-N 3.13Å; E311-C315 PolarHBondContact O-SG 2.9Å; E312-C315 PolarHBondContact O-N 3.37Å; C315-S319 WeakPolarHBondContact O-CB 3.2Å; C315-S319 PolarHBondContact O-N 3.33Å; C315-S319 PolarHBondContact O-OG 2.99Å; C315-L358 HydrophobicContact CB-CD1 4.31Å; C315-L358 HydrophobicContact CB-CD2 4.04Å; C315-L358 HydrophobicContact CB-CG 4.19Å
316	R	89.4	Confident	86.9	Confident	84 Å²	84	57.1 Å²	57.1	32%	0.317	30%	0.301	S	S	.	.	H	α-helix	trans	-61.8	-46.6	173.9	-179	-178.9	54.3	64.2	3.1	111.2	E312 H313 L314 S319 E320 R463	E312-R316 WeakPolarHBondContact O-CB 3.24Å; E312-R316 PolarHBondContact O-N 3.14Å; H313-R316 PolarHBondContact CD2-NH2 3.46Å; H313-R316 PolarHBondContact NE2-NH2 3.43Å; H313-R316 VanDerWaalsContact NE2-NH2 3.14Å; H313-R316 PolarHBondContact O-N 3.47Å; L314-R316 VanDerWaalsContact C-N 3.34Å; L314-R316 PolarHBondContact O-N 3.42Å; R316-S319 WeakPolarHBondContact O-CB 3.45Å; R316-S319 PolarHBondContact O-N 3.48Å; R316-E320 WeakPolarHBondContact CD-OE1 3.47Å; R316-E320 HydrophobicContact CG-CG 4.46Å; R316-E320 VanDerWaalsContact CG-OE1 3.32Å; R316-E320 WeakPolarHBondContact CG-OE1 3.3Å; R316-E320 IonicContact CZ-OE1 3.62Å; R316-E320 IonicContact NE-OE1 3.45Å; R316-E320 IonicContact NH1-OE1 2.75Å; R316-E320 PolarHBondContact NH1-OE1 3.06Å; R316-E320 IonicContact NH1-OE2 2.75Å; R316-E320 WeakPolarHBondContact O-CG 3.22Å; R316-E320 PolarHBondContact O-N 3.4Å; R316-R463 VanDerWaalsContact NH1-NH2 3.16Å
317	R	87.3	Confident	86.6	Confident	19 Å²	19	62 Å²	62	7%	0.072	32%	0.317	C	S	.	.	H	α-helix	trans	-65.8	-45	-177.2	-173.8	179.7	171.6	-165.4	-13.6	112.6	A296 D297 W298 H313 L314 S319 E320 T321 Y456 A460 H461	A296-R317 PolarHBondContact O-NH2 2.95Å; D297-R317 VanDerWaalsContact C-CZ 3.48Å; D297-R317 WeakPolarHBondContact O-CD 3.46Å; D297-R317 PolarHBondContact O-NE 3.43Å; D297-R317 PolarHBondContact O-NH1 2.89Å; D297-R317 PolarHBondContact O-NH2 3.4Å; D297-R317 VanDerWaalsContact O-NH2 3.09Å; W298-R317 HydrophobicContact CZ3-CB 4.48Å; H313-R317 WeakPolarHBondContact O-CB 3.39Å; H313-R317 PolarHBondContact O-N 3.13Å; L314-R317 PolarHBondContact O-N 2.98Å; L314-R317 VanDerWaalsContact O-N 3.15Å; R317-S319 VanDerWaalsContact C-N 3.27Å; R317-S319 PolarHBondContact O-N 3.22Å; R317-E320 PolarHBondContact O-N 3.2Å; R317-T321 PolarHBondContact O-N 3.44Å; R317-T321 PolarHBondContact O-OG1 2.97Å; R317-Y456 PolarHBondContact NH1-OH 2.75Å; R317-A460 VanDerWaalsContact CZ-C 3.49Å; R317-A460 PolarHBondContact NE-O 2.62Å; R317-A460 PolarHBondContact NH2-O 3.21Å; R317-H461 PolarHBondContact NH1-CE1 3.26Å; R317-H461 VanDerWaalsContact NH1-CE1 3.3Å
318	L	89.8	Confident	86.7	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-58.2	-43.3	175.9	-66.2	169.7	0	0	0	110.9	D297 L314 T321 R322 N329 I331 V354 L358 Y360	D297-L318 HydrophobicContact CB-CD2 3.94Å; L314-L318 HydrophobicContact CD1-CD1 3.9Å; L314-L318 HydrophobicContact CD1-CD2 4.39Å; L314-L318 HydrophobicContact CD1-CG 4Å; L314-L318 HydrophobicContact CD2-CD1 4.49Å; L314-L318 HydrophobicContact CG-CD1 3.82Å; L314-L318 HydrophobicContact CG-CG 4.32Å; L314-L318 VanDerWaalsContact O-CG 3.29Å; L314-L318 WeakPolarHBondContact O-CG 3.24Å; L314-L318 PolarHBondContact O-N 3.15Å; L318-T321 PolarHBondContact O-N 3.26Å; L318-R322 WeakPolarHBondContact O-CB 3.22Å; L318-R322 PolarHBondContact O-N 3.03Å; L318-R322 VanDerWaalsContact O-N 3.12Å; L318-N329 HydrophobicContact CD2-CB 3.71Å; L318-I331 HydrophobicContact CD1-CD1 4.09Å; L318-I331 HydrophobicContact CD2-CD1 4.13Å; L318-I331 HydrophobicContact CD2-CG1 4.21Å; L318-V354 HydrophobicContact CD1-CG1 4.31Å; L318-V354 HydrophobicContact CD1-CG2 3.64Å; L318-L358 HydrophobicContact CB-CD1 3.86Å; L318-L358 HydrophobicContact CD1-CD1 4.07Å; L318-Y360 HydrophobicContact CB-CE2 4.42Å
319	S	89.1	Confident	87	Confident	34 Å²	34	54.2 Å²	54.2	24%	0.238	28%	0.275	C	S	.	.	H	α-helix	trans	-62.4	-46	175.1	-55.6	0	0	0	0	112.2	C315 R316 R317 R322 T323 L358	C315-S319 WeakPolarHBondContact O-CB 3.2Å; C315-S319 PolarHBondContact O-N 3.33Å; C315-S319 PolarHBondContact O-OG 2.99Å; R316-S319 WeakPolarHBondContact O-CB 3.45Å; R316-S319 PolarHBondContact O-N 3.48Å; R317-S319 VanDerWaalsContact C-N 3.27Å; R317-S319 PolarHBondContact O-N 3.22Å; S319-R322 PolarHBondContact O-N 3.48Å; S319-T323 WeakPolarHBondContact O-CG2 3.37Å; S319-T323 PolarHBondContact O-N 2.84Å; S319-T323 PolarHBondContact O-OG1 2.99Å; S319-L358 VanDerWaalsContact OG-CD2 3.31Å; S319-L358 WeakPolarHBondContact OG-CD2 3.23Å
320	E	85.5	Confident	87.2	Confident	38 Å²	38	48.4 Å²	48.4	18%	0.178	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-42	176	-77.1	-179.5	-144.8	0	0	113	R316 R317 R322 T323 R324 R463	R316-E320 WeakPolarHBondContact CD-OE1 3.47Å; R316-E320 HydrophobicContact CG-CG 4.46Å; R316-E320 VanDerWaalsContact CG-OE1 3.32Å; R316-E320 WeakPolarHBondContact CG-OE1 3.3Å; R316-E320 IonicContact CZ-OE1 3.62Å; R316-E320 IonicContact NE-OE1 3.45Å; R316-E320 IonicContact NH1-OE1 2.75Å; R316-E320 PolarHBondContact NH1-OE1 3.06Å; R316-E320 IonicContact NH1-OE2 2.75Å; R316-E320 WeakPolarHBondContact O-CG 3.22Å; R316-E320 PolarHBondContact O-N 3.4Å; R317-E320 PolarHBondContact O-N 3.2Å; E320-R322 VanDerWaalsContact C-N 3.25Å; E320-R322 PolarHBondContact O-N 3.19Å; E320-T323 PolarHBondContact O-OG1 3.02Å; E320-R324 WeakPolarHBondContact O-CB 3.13Å; E320-R324 WeakPolarHBondContact O-CD 3.28Å; E320-R324 WeakPolarHBondContact O-CG 3.48Å; E320-R324 PolarHBondContact O-N 3.48Å; E320-R324 VanDerWaalsContact O-N 3.14Å; E320-R324 IonicContact OE2-NH2 3.19Å; E320-R324 PolarHBondContact OE2-NH2 3.19Å; E320-R463 IonicContact OE1-CZ 3.13Å; E320-R463 IonicContact OE1-NH1 2.65Å; E320-R463 IonicContact OE1-NH2 3.45Å
321	T	83.8	Confident	87.5	Confident	26 Å²	26	47 Å²	47	16%	0.16	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-37.5	175.9	-65	0	0	0	0	110.9	D297 R317 L318 S326	D297-T321 VanDerWaalsContact OD1-CB 3.3Å; D297-T321 WeakPolarHBondContact OD1-CB 3.46Å; D297-T321 WeakPolarHBondContact OD1-CG2 3.49Å; D297-T321 PolarHBondContact OD1-OG1 3.32Å; R317-T321 PolarHBondContact O-N 3.44Å; R317-T321 PolarHBondContact O-OG1 2.97Å; L318-T321 PolarHBondContact O-N 3.26Å; T321-S326 WeakPolarHBondContact O-CB 3.17Å; T321-S326 PolarHBondContact O-N 3.29Å; T321-S326 VanDerWaalsContact O-N 3.13Å
322	R	85	Confident	87.8	Confident	57 Å²	57	43.3 Å²	43.3	22%	0.215	22%	0.222	C	C	.	.	H	α-helix	trans	-75.6	-40.8	-178.1	-161.1	159.1	-176.4	147.6	0.7	113.2	Q271 L318 S319 E320 R324 G325	Q271-R322 VanDerWaalsContact O-CZ 3.29Å; Q271-R322 PolarHBondContact O-NH1 2.65Å; Q271-R322 PolarHBondContact O-NH2 2.92Å; L318-R322 WeakPolarHBondContact O-CB 3.22Å; L318-R322 PolarHBondContact O-N 3.03Å; L318-R322 VanDerWaalsContact O-N 3.12Å; S319-R322 PolarHBondContact O-N 3.48Å; E320-R322 VanDerWaalsContact C-N 3.25Å; E320-R322 PolarHBondContact O-N 3.19Å; R322-R324 VanDerWaalsContact C-N 3.27Å; R322-R324 PolarHBondContact O-N 3.4Å; R322-G325 PolarHBondContact O-N 2.9Å
323	T	84.5	Confident	88.1	Confident	120 Å²	120	37 Å²	37	74%	0.736	19%	0.192	S	C	*	.	H	α-helix	trans	-66.3	-27.4	173.2	55.2	0	0	0	0	112.9	S319 E320 G325	S319-T323 WeakPolarHBondContact O-CG2 3.37Å; S319-T323 PolarHBondContact O-N 2.84Å; S319-T323 PolarHBondContact O-OG1 2.99Å; E320-T323 PolarHBondContact O-OG1 3.02Å; T323-G325 PolarHBondContact O-N 3.17Å
324	R	79.9	Confident	88.5	Confident	91 Å²	91	34.6 Å²	34.6	34%	0.343	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	6.1	169.9	-68.2	173.3	-166.2	-177.2	13.9	114.3	E320 R322 S525	E320-R324 WeakPolarHBondContact O-CB 3.13Å; E320-R324 WeakPolarHBondContact O-CD 3.28Å; E320-R324 WeakPolarHBondContact O-CG 3.48Å; E320-R324 PolarHBondContact O-N 3.48Å; E320-R324 VanDerWaalsContact O-N 3.14Å; E320-R324 IonicContact OE2-NH2 3.19Å; E320-R324 PolarHBondContact OE2-NH2 3.19Å; R322-R324 VanDerWaalsContact C-N 3.27Å; R322-R324 PolarHBondContact O-N 3.4Å; R324-S525 PolarHBondContact O-OG 2.8Å
325	G	79.9	Confident	88.7	Confident	58 Å²	58	38.6 Å²	38.6	60%	0.598	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.4	6.9	175	0	0	0	0	0	115.4	R322 T323 R327	R322-G325 PolarHBondContact O-N 2.9Å; T323-G325 PolarHBondContact O-N 3.17Å; G325-R327 PolarHBondContact O-N 3.29Å
326	S	82	Confident	88.8	Confident	35 Å²	35	38.8 Å²	38.8	25%	0.245	20%	0.204	C	C	.	.			trans	-67.9	127.2	169.1	-171.1	0	0	0	0	110	T321 L328	T321-S326 WeakPolarHBondContact O-CB 3.17Å; T321-S326 PolarHBondContact O-N 3.29Å; T321-S326 VanDerWaalsContact O-N 3.13Å; S326-L328 PolarHBondContact OG-N 3.02Å; S326-L328 PolarHBondContact OG-O 2.72Å
327	R	84.5	Confident	89	Confident	120 Å²	120	35 Å²	35	45%	0.453	19%	0.19	S	C	.	.			trans	-77.6	-25.7	174.3	-64.9	-178	62.6	86.7	-3.1	112.7	Q268 S269 Q271 G325	Q268-R327 PolarHBondContact O-NE 3.07Å; Q268-R327 PolarHBondContact O-NH2 3.36Å; S269-R327 PolarHBondContact O-NH2 2.72Å; Q271-R327 CarbonylContact C-O 3.5Å; Q271-R327 WeakPolarHBondContact CA-O 3.33Å; Q271-R327 WeakPolarHBondContact CB-O 3.38Å; Q271-R327 HydrophobicContact CG-CB 4.32Å; G325-R327 PolarHBondContact O-N 3.29Å
328	L	88.8	Confident	89.3	Confident	26 Å²	26	35.8 Å²	35.8	14%	0.136	20%	0.196	C	C	.	.			trans	-116.4	155.1	-170.9	74.9	101.4	0	0	0	110.5	T264 A267 Q268 S326 I330	T264-L328 HydrophobicContact CG2-CD2 4.11Å; A267-L328 HydrophobicContact CB-CB 4.15Å; Q268-L328 HydrophobicContact CG-CB 4.25Å; Q268-L328 HydrophobicContact CG-CD2 3.38Å; Q268-L328 HydrophobicContact CG-CG 4.42Å; Q268-L328 VanDerWaalsContact NE2-CD2 3.29Å; S326-L328 PolarHBondContact OG-N 3.02Å; S326-L328 PolarHBondContact OG-O 2.72Å; L328-I330 HydrophobicContact CD1-CD1 3.77Å; L328-I330 HydrophobicContact CD1-CG1 3.61Å
329	N	90.6	Very high	89.4	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	137.1	161	-64.6	117.1	0	0	0	111.2	R272 T273 F274 D297 L318	R272-N329 PolarHBondContact O-N 3.05Å; T273-N329 WeakPolarHBondContact CA-O 3.37Å; T273-N329 HydrophobicContact CG2-CB 3.89Å; F274-N329 PolarHBondContact N-O 3.34Å; D297-N329 WeakPolarHBondContact OD2-CA 3.32Å; D297-N329 PolarHBondContact OD2-ND2 2.85Å; L318-N329 HydrophobicContact CD2-CB 3.71Å
330	I	92.1	Very high	89.4	Confident	6 Å²	6	40.2 Å²	40.2	3%	0.031	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.5	176	-61.9	174	0	0	0	109.5	V260 L276 A296 D297 W298 L328 I332	V260-I330 HydrophobicContact CG1-CD1 4.21Å; L276-I330 HydrophobicContact CD1-CG2 3.96Å; A296-I330 HydrophobicContact CB-CB 4.46Å; A296-I330 HydrophobicContact CB-CG2 4.2Å; A296-I330 WeakPolarHBondContact CB-O 3.37Å; D297-I330 WeakPolarHBondContact CA-O 3.5Å; D297-I330 WeakPolarHBondContact CB-O 3.24Å; D297-I330 PolarHBondContact N-O 2.82Å; D297-I330 PolarHBondContact OD2-N 3.3Å; W298-I330 PolarHBondContact N-O 2.9Å; L328-I330 HydrophobicContact CD1-CD1 3.77Å; L328-I330 HydrophobicContact CD1-CG1 3.61Å; I330-I332 HydrophobicContact CG2-CD1 3.57Å; I330-I332 HydrophobicContact CG2-CG1 4.23Å
331	I	95.4	Very high	89.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.1	172.1	-63.1	161.8	0	0	0	107	T273 F274 V275 L276 W298 F300 L314 L318 V333 I350 V354	T273-I331 HydrophobicContact CG2-CD1 4.1Å; F274-I331 PolarHBondContact O-N 2.95Å; V275-I331 WeakPolarHBondContact CA-O 3.41Å; V275-I331 HydrophobicContact CG1-CG2 4.39Å; V275-I331 HydrophobicContact CG2-CB 4.4Å; V275-I331 HydrophobicContact CG2-CD1 4.19Å; L276-I331 PolarHBondContact N-O 3.04Å; W298-I331 HydrophobicContact CB-CG1 4.26Å; W298-I331 HydrophobicContact CB-CG2 4.24Å; F300-I331 HydrophobicContact CD2-CG2 4.02Å; F300-I331 HydrophobicContact CE2-CG2 3.75Å; L314-I331 HydrophobicContact CD1-CD1 4.12Å; L314-I331 HydrophobicContact CD1-CG1 4.33Å; L314-I331 HydrophobicContact CD2-CD1 4.39Å; L318-I331 HydrophobicContact CD1-CD1 4.09Å; L318-I331 HydrophobicContact CD2-CD1 4.13Å; L318-I331 HydrophobicContact CD2-CG1 4.21Å; I331-V333 HydrophobicContact CG2-CG2 4.1Å; I331-I350 HydrophobicContact CD1-CG2 3.9Å; I331-I350 HydrophobicContact CG2-CG2 4.25Å; I331-V354 HydrophobicContact CD1-CG2 4.38Å
332	I	96.6	Very high	89.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.2	174.9	-53.2	-58.4	0	0	0	108.8	L276 V278 A287 T290 A296 W298 V299 F300 I330	L276-I332 HydrophobicContact CB-CD1 3.93Å; L276-I332 HydrophobicContact CD1-CD1 3.94Å; L276-I332 HydrophobicContact CG-CD1 4.34Å; V278-I332 HydrophobicContact CB-CG2 4.45Å; V278-I332 HydrophobicContact CG2-CG2 3.81Å; A287-I332 HydrophobicContact CB-CG2 3.82Å; T290-I332 HydrophobicContact CG2-CD1 3.95Å; T290-I332 HydrophobicContact CG2-CG1 4.21Å; T290-I332 HydrophobicContact CG2-CG2 4.41Å; A296-I332 HydrophobicContact CB-CG1 3.79Å; W298-I332 PolarHBondContact O-N 3.1Å; V299-I332 CarbonylContact C-O 3.53Å; V299-I332 VanDerWaalsContact CA-O 3.27Å; V299-I332 WeakPolarHBondContact CA-O 3.28Å; V299-I332 HydrophobicContact CG2-CB 4.15Å; V299-I332 HydrophobicContact CG2-CG2 4.32Å; F300-I332 PolarHBondContact N-O 2.95Å; I330-I332 HydrophobicContact CG2-CD1 3.57Å; I330-I332 HydrophobicContact CG2-CG1 4.23Å
333	V	96.6	Very high	89.9	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	123	-179.1	-170.3	0	0	0	0	108	V275 L276 E277 V278 F300 I331 A337 I350	V275-V333 HydrophobicContact CG1-CG2 3.56Å; L276-V333 PolarHBondContact O-N 2.74Å; E277-V333 WeakPolarHBondContact CA-O 3.29Å; V278-V333 PolarHBondContact N-O 2.85Å; F300-V333 HydrophobicContact CB-CG1 4.3Å; F300-V333 HydrophobicContact CD2-CG2 4.12Å; I331-V333 HydrophobicContact CG2-CG2 4.1Å; V333-A337 HydrophobicContact CG1-CB 3.91Å; V333-I350 HydrophobicContact CG1-CD1 4.32Å; V333-I350 HydrophobicContact CG2-CD1 3.56Å
334	A	96.9	Very high	90.3	Very high	2 Å²	2	46.4 Å²	46.4	2%	0.017	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	142.2	167.2	0	0	0	0	0	109.8	V278 A287 F300 G336 A337	V278-A334 CarbonylContact O-C 3.58Å; A287-A334 HydrophobicContact CB-CB 3.86Å; F300-A334 WeakPolarHBondContact O-CB 3.48Å; F300-A334 PolarHBondContact O-N 2.85Å; A334-G336 PolarHBondContact O-N 3.15Å; A334-G336 VanDerWaalsContact O-N 3.1Å; A334-A337 WeakPolarHBondContact O-CB 3.45Å; A334-A337 PolarHBondContact O-N 2.96Å
335	E	94	Very high	90.9	Very high	84 Å²	84	42.7 Å²	42.7	39%	0.393	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-26.5	178.6	70	-172.3	155.9	0	0	113.4	V278 M279 G280 R281	V278-E335 PolarHBondContact O-N 2.88Å; M279-E335 WeakPolarHBondContact CA-OE1 3.43Å; G280-E335 PolarHBondContact N-OE1 3.47Å; R281-E335 PolarHBondContact N-OE1 3.38Å
336	G	92.8	Very high	91.6	Very high	14 Å²	14	42.7 Å²	42.7	14%	0.144	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	16	173.2	0	0	0	0	0	115.6	R281 P302 A334 I338	R281-G336 VanDerWaalsContact O-CA 3.25Å; R281-G336 WeakPolarHBondContact O-CA 3.31Å; R281-G336 PolarHBondContact O-N 2.93Å; P302-G336 WeakPolarHBondContact CB-O 3.38Å; A334-G336 PolarHBondContact O-N 3.15Å; A334-G336 VanDerWaalsContact O-N 3.1Å; G336-I338 PolarHBondContact O-N 2.92Å
337	A	94.8	Very high	92.2	Very high	3 Å²	3	41.5 Å²	41.5	3%	0.025	22%	0.218	C	C	.	.			trans	-62.2	130.7	-177.9	0	0	0	0	0	112.7	F300 V333 A334 P344 I345	F300-A337 HydrophobicContact CB-CB 3.82Å; V333-A337 HydrophobicContact CG1-CB 3.91Å; A334-A337 WeakPolarHBondContact O-CB 3.45Å; A334-A337 PolarHBondContact O-N 2.96Å; A337-P344 WeakPolarHBondContact O-CA 3.49Å; A337-I345 HydrophobicContact CB-CB 4.46Å; A337-I345 PolarHBondContact O-N 2.99Å
338	I	93.9	Very high	92.6	Very high	37 Å²	37	39.3 Å²	39.3	19%	0.19	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-132.6	161.4	180	55.8	168.2	0	0	0	111.2	P305 G336 K343 I345 F438	P305-I338 WeakPolarHBondContact CB-O 3.32Å; P305-I338 HydrophobicContact CG-CD1 4.23Å; P305-I338 HydrophobicContact CG-CG1 3.99Å; G336-I338 PolarHBondContact O-N 2.92Å; I338-K343 CarbonylContact C-O 3.36Å; I338-K343 VanDerWaalsContact CA-O 3.27Å; I338-K343 WeakPolarHBondContact CA-O 3.28Å; I338-I345 WeakPolarHBondContact O-CD1 3.35Å; I338-F438 HydrophobicContact CD1-CE1 4.3Å
339	D	91.8	Very high	92.8	Very high	29 Å²	29	41.7 Å²	41.7	16%	0.155	23%	0.226	C	C	.	.			trans	-86.8	177.3	164	77.3	3.7	0	0	0	111.8	N341 G342 K343 I345	D339-N341 PolarHBondContact O-N 3.14Å; D339-N341 VanDerWaalsContact OD1-CA 3.23Å; D339-N341 WeakPolarHBondContact OD1-CA 3.29Å; D339-N341 WeakPolarHBondContact OD1-CB 3.49Å; D339-N341 PolarHBondContact OD1-N 2.78Å; D339-G342 PolarHBondContact O-N 3Å; D339-G342 VanDerWaalsContact O-N 3.07Å; D339-G342 PolarHBondContact OD1-N 3.43Å; D339-K343 PolarHBondContact N-O 3.15Å; D339-K343 WeakPolarHBondContact OD1-CB 3.37Å; D339-K343 PolarHBondContact OD1-N 3.37Å; D339-I345 HydrophobicContact CB-CD1 4.1Å; D339-I345 HydrophobicContact CB-CG1 4.26Å
340	R	88.9	Confident	92.9	Very high	98 Å²	98	41.7 Å²	41.7	37%	0.37	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-15	176.8	-72.7	-179	168.2	-177.8	1.3	114.5	P305 D307 K436	P305-R340 HydrophobicContact CB-CG 4.08Å; D307-R340 IonicContact OD1-CZ 3.72Å; D307-R340 IonicContact OD1-NH1 3.8Å; D307-R340 PolarHBondContact OD1-NH1 2.92Å; D307-R340 VanDerWaalsContact OD1-NH1 3.13Å; D307-R340 IonicContact OD1-NH2 2.83Å; D307-R340 PolarHBondContact OD1-NH2 2.85Å; R340-K436 WeakPolarHBondContact O-CD 3.46Å; R340-K436 WeakPolarHBondContact O-CE 3.49Å; R340-K436 PolarHBondContact O-NZ 3.36Å
341	N	87.1	Confident	93	Very high	105 Å²	105	43.7 Å²	43.7	56%	0.561	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-9	176.1	-62.6	-57.6	0	0	0	112.4	D339	D339-N341 PolarHBondContact O-N 3.14Å; D339-N341 VanDerWaalsContact OD1-CA 3.23Å; D339-N341 WeakPolarHBondContact OD1-CA 3.29Å; D339-N341 WeakPolarHBondContact OD1-CB 3.49Å; D339-N341 PolarHBondContact OD1-N 2.78Å
342	G	84.8	Confident	93	Very high	46 Å²	46	47.7 Å²	47.7	47%	0.474	26%	0.256	S	S	.	.	S	Bend	trans	86.7	8.6	-175.5	0	0	0	0	0	113.3	D339	D339-G342 PolarHBondContact O-N 3Å; D339-G342 VanDerWaalsContact O-N 3.07Å; D339-G342 PolarHBondContact OD1-N 3.43Å
343	K	91.2	Very high	92.9	Very high	135 Å²	135	48.4 Å²	48.4	59%	0.587	26%	0.26	S	S	*	.			trans	-77.2	134.3	174.7	-175	-170.1	170	-167.3	0	109	I338 D339	I338-K343 CarbonylContact C-O 3.36Å; I338-K343 VanDerWaalsContact CA-O 3.27Å; I338-K343 WeakPolarHBondContact CA-O 3.28Å; D339-K343 PolarHBondContact N-O 3.15Å; D339-K343 WeakPolarHBondContact OD1-CB 3.37Å; D339-K343 PolarHBondContact OD1-N 3.37Å
344	P	92.9	Very high	92.7	Very high	84 Å²	84	48.4 Å²	48.4	55%	0.545	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-64.2	140.6	175.7	26.8	-34.7	0	0	0	111.6	A337	A337-P344 WeakPolarHBondContact O-CA 3.49Å
345	I	93.8	Very high	92.5	Very high	14 Å²	14	51.5 Å²	51.5	7%	0.072	28%	0.278	C	S	.	.			trans	-103.8	106.5	172.9	-58.8	176.5	0	0	0	107.5	F300 P306 W310 A337 I338 D339 I350	F300-I345 HydrophobicContact CD1-CD1 4.01Å; F300-I345 HydrophobicContact CD1-CG2 4.3Å; F300-I345 HydrophobicContact CE1-CD1 4.26Å; F300-I345 HydrophobicContact CE1-CG2 4.35Å; P306-I345 HydrophobicContact CG-CD1 3.79Å; W310-I345 HydrophobicContact CH2-CG2 4.07Å; W310-I345 HydrophobicContact CZ2-CD1 4.41Å; W310-I345 HydrophobicContact CZ2-CG2 4.18Å; A337-I345 HydrophobicContact CB-CB 4.46Å; A337-I345 PolarHBondContact O-N 2.99Å; I338-I345 WeakPolarHBondContact O-CD1 3.35Å; D339-I345 HydrophobicContact CB-CD1 4.1Å; D339-I345 HydrophobicContact CB-CG1 4.26Å; I345-I350 HydrophobicContact CG2-CD1 3.83Å; I345-I350 HydrophobicContact CG2-CG1 3.94Å
346	T	93.8	Very high	92.5	Very high	58 Å²	58	56.6 Å²	56.6	36%	0.356	30%	0.299	S	S	.	.			trans	-86.4	156.5	-177.3	77.2	0	0	0	0	112.5	E348 D349 I350	T346-E348 PolarHBondContact O-N 2.95Å; T346-D349 WeakPolarHBondContact CB-OD2 3.47Å; T346-D349 WeakPolarHBondContact CG2-OD2 3.35Å; T346-D349 PolarHBondContact N-OD2 3.02Å; T346-D349 PolarHBondContact O-N 2.68Å; T346-D349 PolarHBondContact OG1-N 3.3Å; T346-D349 VanDerWaalsContact OG1-N 3.11Å; T346-D349 PolarHBondContact OG1-OD2 3.09Å; T346-I350 PolarHBondContact O-N 3.32Å
347	S	94	Very high	92.5	Very high	9 Å²	9	62 Å²	62	6%	0.063	32%	0.315	C	S	.	.	H	α-helix	trans	-60.5	-30.4	174.2	63.3	0	0	0	0	113.1	E277 K351 V364	E277-S347 WeakPolarHBondContact OE2-CB 3.11Å; E277-S347 PolarHBondContact OE2-OG 2.88Å; E277-S347 VanDerWaalsContact OE2-OG 3.14Å; S347-K351 PolarHBondContact O-N 3.01Å; S347-K351 VanDerWaalsContact O-N 3.11Å; S347-V364 WeakPolarHBondContact O-CG2 3.41Å; S347-V364 WeakPolarHBondContact OG-CG1 3.48Å
348	E	93.7	Very high	92.3	Very high	75 Å²	75	63.8 Å²	63.8	35%	0.35	32%	0.324	S	S	.	.	H	α-helix	trans	-78.3	-34.7	-179.8	-174	55.4	-147.5	0	0	111.8	T346 K351 N352	T346-E348 PolarHBondContact O-N 2.95Å; E348-K351 PolarHBondContact O-N 2.88Å; E348-K351 IonicContact OE1-NZ 3.36Å; E348-K351 PolarHBondContact OE1-NZ 3.38Å; E348-K351 IonicContact OE2-NZ 2.92Å; E348-K351 PolarHBondContact OE2-NZ 2.6Å; E348-N352 WeakPolarHBondContact O-CB 3.35Å; E348-N352 PolarHBondContact O-N 2.93Å; E348-N352 PolarHBondContact O-ND2 2.79Å; E348-N352 PolarHBondContact OE1-ND2 3.48Å; E348-N352 PolarHBondContact OE1-OD1 3.1Å
349	D	92.4	Very high	92.1	Very high	75 Å²	75	65 Å²	65	40%	0.401	35%	0.345	S	S	.	.	H	α-helix	trans	-58.6	-48	170.2	-64.6	-50	0	0	0	110.9	T346 K351 N352 L353	T346-D349 WeakPolarHBondContact CB-OD2 3.47Å; T346-D349 WeakPolarHBondContact CG2-OD2 3.35Å; T346-D349 PolarHBondContact N-OD2 3.02Å; T346-D349 PolarHBondContact O-N 2.68Å; T346-D349 PolarHBondContact OG1-N 3.3Å; T346-D349 VanDerWaalsContact OG1-N 3.11Å; T346-D349 PolarHBondContact OG1-OD2 3.09Å; D349-K351 VanDerWaalsContact C-N 3.34Å; D349-K351 PolarHBondContact O-N 3.21Å; D349-N352 PolarHBondContact O-N 3.25Å; D349-L353 VanDerWaalsContact O-CB 3.32Å; D349-L353 WeakPolarHBondContact O-CB 3.47Å; D349-L353 PolarHBondContact O-N 3.2Å
350	I	93.6	Very high	92.1	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-60.9	-42.5	177.6	-65.1	162.7	0	0	0	111	V275 F300 W310 L314 I331 V333 I345 T346 L353 V354	V275-I350 HydrophobicContact CG1-CB 4.41Å; V275-I350 HydrophobicContact CG1-CG2 4.27Å; V275-I350 HydrophobicContact CG2-CB 4.5Å; V275-I350 HydrophobicContact CG2-CG2 3.84Å; F300-I350 HydrophobicContact CD2-CD1 3.68Å; F300-I350 HydrophobicContact CE2-CD1 3.49Å; F300-I350 VanDerWaalsContact CE2-CD1 3.49Å; F300-I350 HydrophobicContact CE2-CG1 4.16Å; F300-I350 HydrophobicContact CG-CD1 4.32Å; F300-I350 HydrophobicContact CZ-CD1 4Å; F300-I350 HydrophobicContact CZ-CG1 4.29Å; W310-I350 HydrophobicContact CH2-CG1 4.11Å; W310-I350 HydrophobicContact CZ3-CG1 4.27Å; L314-I350 HydrophobicContact CD2-CG2 4.12Å; I331-I350 HydrophobicContact CD1-CG2 3.9Å; I331-I350 HydrophobicContact CG2-CG2 4.25Å; V333-I350 HydrophobicContact CG1-CD1 4.32Å; V333-I350 HydrophobicContact CG2-CD1 3.56Å; I345-I350 HydrophobicContact CG2-CD1 3.83Å; I345-I350 HydrophobicContact CG2-CG1 3.94Å; T346-I350 PolarHBondContact O-N 3.32Å; I350-L353 WeakPolarHBondContact O-CB 3.35Å; I350-L353 PolarHBondContact O-N 3.25Å; I350-V354 WeakPolarHBondContact O-CG2 3.16Å; I350-V354 PolarHBondContact O-N 3.07Å
351	K	94.9	Very high	92.3	Very high	49 Å²	49	63.9 Å²	63.9	21%	0.213	34%	0.344	C	S	.	.	H	α-helix	trans	-62.1	-48.2	175.6	161.2	167.6	155.7	-87.9	0	111.8	S347 E348 D349 L353 V354 V355 T362 V364	S347-K351 PolarHBondContact O-N 3.01Å; S347-K351 VanDerWaalsContact O-N 3.11Å; E348-K351 PolarHBondContact O-N 2.88Å; E348-K351 IonicContact OE1-NZ 3.36Å; E348-K351 PolarHBondContact OE1-NZ 3.38Å; E348-K351 IonicContact OE2-NZ 2.92Å; E348-K351 PolarHBondContact OE2-NZ 2.6Å; D349-K351 VanDerWaalsContact C-N 3.34Å; D349-K351 PolarHBondContact O-N 3.21Å; K351-L353 VanDerWaalsContact C-N 3.3Å; K351-L353 PolarHBondContact O-N 2.92Å; K351-V354 PolarHBondContact O-N 3.42Å; K351-V355 HydrophobicContact CG-CG2 4.43Å; K351-V355 WeakPolarHBondContact O-CB 3.34Å; K351-V355 VanDerWaalsContact O-CG2 3.29Å; K351-V355 WeakPolarHBondContact O-CG2 3.47Å; K351-V355 PolarHBondContact O-N 2.99Å; K351-T362 HydrophobicContact CB-CG2 4.05Å; K351-T362 HydrophobicContact CG-CG2 4.1Å; K351-V364 HydrophobicContact CB-CG2 3.73Å; K351-V364 HydrophobicContact CD-CB 4.44Å; K351-V364 HydrophobicContact CD-CG2 3.64Å; K351-V364 HydrophobicContact CG-CG2 4.33Å
352	N	94.6	Very high	92.6	Very high	83 Å²	83	59 Å²	59	44%	0.444	32%	0.318	S	S	.	.	H	α-helix	trans	-63.9	-37.8	-179.9	-73.1	-43.3	0	0	0	111.8	E348 D349 K356	E348-N352 WeakPolarHBondContact O-CB 3.35Å; E348-N352 PolarHBondContact O-N 2.93Å; E348-N352 PolarHBondContact O-ND2 2.79Å; E348-N352 PolarHBondContact OE1-ND2 3.48Å; E348-N352 PolarHBondContact OE1-OD1 3.1Å; D349-N352 PolarHBondContact O-N 3.25Å; N352-K356 WeakPolarHBondContact O-CB 3.37Å; N352-K356 PolarHBondContact O-N 3.44Å
353	L	93.8	Very high	93.1	Very high	16 Å²	16	62.7 Å²	62.7	8%	0.084	32%	0.317	C	S	.	.	H	α-helix	trans	-58.5	-53.5	172.1	175.7	67	0	0	0	112.2	W310 E311 L314 D349 I350 K351 K356 R357	W310-L353 HydrophobicContact CE3-CD2 4.47Å; W310-L353 HydrophobicContact CH2-CD2 3.89Å; W310-L353 HydrophobicContact CZ3-CD2 3.68Å; E311-L353 HydrophobicContact CB-CD1 3.98Å; E311-L353 HydrophobicContact CB-CD2 3.87Å; E311-L353 HydrophobicContact CG-CD1 4.09Å; E311-L353 HydrophobicContact CG-CD2 3.79Å; E311-L353 VanDerWaalsContact OE2-CD1 3.26Å; E311-L353 WeakPolarHBondContact OE2-CD1 3.25Å; L314-L353 HydrophobicContact CD2-CD2 4.2Å; D349-L353 VanDerWaalsContact O-CB 3.32Å; D349-L353 WeakPolarHBondContact O-CB 3.47Å; D349-L353 PolarHBondContact O-N 3.2Å; I350-L353 WeakPolarHBondContact O-CB 3.35Å; I350-L353 PolarHBondContact O-N 3.25Å; K351-L353 VanDerWaalsContact C-N 3.3Å; K351-L353 PolarHBondContact O-N 2.92Å; L353-K356 PolarHBondContact O-N 2.91Å; L353-R357 HydrophobicContact CD1-CG 3.98Å; L353-R357 VanDerWaalsContact CD1-NE 3.26Å; L353-R357 WeakPolarHBondContact O-CB 3.42Å; L353-R357 PolarHBondContact O-N 3.34Å
354	V	92.7	Very high	93.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.9	-41.9	-178	173.3	0	0	0	0	111.3	T273 L314 L318 I331 I350 K351 L358 G359 Y360 T362	T273-V354 HydrophobicContact CG2-CG1 4.3Å; L314-V354 HydrophobicContact CD2-CG2 4.41Å; L318-V354 HydrophobicContact CD1-CG1 4.31Å; L318-V354 HydrophobicContact CD1-CG2 3.64Å; I331-V354 HydrophobicContact CD1-CG2 4.38Å; I350-V354 WeakPolarHBondContact O-CG2 3.16Å; I350-V354 PolarHBondContact O-N 3.07Å; K351-V354 PolarHBondContact O-N 3.42Å; V354-L358 HydrophobicContact CG1-CD1 4.42Å; V354-L358 WeakPolarHBondContact O-CA 3.49Å; V354-L358 WeakPolarHBondContact O-CB 3.29Å; V354-L358 PolarHBondContact O-N 3.43Å; V354-G359 PolarHBondContact O-N 2.81Å; V354-Y360 HydrophobicContact CG1-CD2 4.39Å; V354-T362 HydrophobicContact CB-CG2 4.46Å; V354-T362 HydrophobicContact CG1-CG2 4.45Å; V354-T362 VanDerWaalsContact CG1-OG1 3.28Å; V354-T362 WeakPolarHBondContact CG1-OG1 3.29Å
355	V	94.1	Very high	93.4	Very high	67 Å²	67	56.4 Å²	56.4	41%	0.406	29%	0.289	S	S	.	.	H	α-helix	trans	-63.1	-46.4	175.8	172.8	0	0	0	0	110.9	K351 G359	K351-V355 HydrophobicContact CG-CG2 4.43Å; K351-V355 WeakPolarHBondContact O-CB 3.34Å; K351-V355 VanDerWaalsContact O-CG2 3.29Å; K351-V355 WeakPolarHBondContact O-CG2 3.47Å; K351-V355 PolarHBondContact O-N 2.99Å; V355-G359 VanDerWaalsContact O-CA 3.27Å; V355-G359 WeakPolarHBondContact O-CA 3.14Å; V355-G359 PolarHBondContact O-N 3.2Å
356	K	93.9	Very high	93.5	Very high	191 Å²	191	59.6 Å²	59.6	83%	0.83	31%	0.309	S	S	*	.	H	α-helix	trans	-70.8	-40.3	-176.8	-175.1	179.4	177.8	-176.4	0	113.5	N352 L353	N352-K356 WeakPolarHBondContact O-CB 3.37Å; N352-K356 PolarHBondContact O-N 3.44Å; L353-K356 PolarHBondContact O-N 2.91Å
357	R	93	Very high	93.5	Very high	127 Å²	127	57.5 Å²	57.5	48%	0.479	30%	0.295	S	S	.	.	H	α-helix	trans	-89.6	-33.6	-176.4	-68.4	-168.5	-175	-145.2	10.9	113.9	E311 L353	E311-R357 IonicContact OE2-CZ 3.72Å; E311-R357 IonicContact OE2-NE 3.95Å; E311-R357 IonicContact OE2-NH2 3.65Å; E311-R357 PolarHBondContact OE2-NH2 3.47Å; L353-R357 HydrophobicContact CD1-CG 3.98Å; L353-R357 VanDerWaalsContact CD1-NE 3.26Å; L353-R357 WeakPolarHBondContact O-CB 3.42Å; L353-R357 PolarHBondContact O-N 3.34Å
358	L	90.1	Very high	93.4	Very high	42 Å²	42	58 Å²	58	22%	0.22	30%	0.301	C	S	.	.	H	α-helix	trans	-114.3	-15.6	-175.2	-59.7	-175.2	0	0	0	114.7	C315 L318 S319 V354 Y360	C315-L358 HydrophobicContact CB-CD1 4.31Å; C315-L358 HydrophobicContact CB-CD2 4.04Å; C315-L358 HydrophobicContact CB-CG 4.19Å; L318-L358 HydrophobicContact CB-CD1 3.86Å; L318-L358 HydrophobicContact CD1-CD1 4.07Å; S319-L358 VanDerWaalsContact OG-CD2 3.31Å; S319-L358 WeakPolarHBondContact OG-CD2 3.23Å; V354-L358 HydrophobicContact CG1-CD1 4.42Å; V354-L358 WeakPolarHBondContact O-CA 3.49Å; V354-L358 WeakPolarHBondContact O-CB 3.29Å; V354-L358 PolarHBondContact O-N 3.43Å; L358-Y360 HydrophobicContact CB-CD1 3.94Å; L358-Y360 HydrophobicContact CB-CD2 4.2Å; L358-Y360 HydrophobicContact CB-CE1 4.01Å; L358-Y360 HydrophobicContact CB-CE2 4.29Å; L358-Y360 HydrophobicContact CB-CG 4.02Å; L358-Y360 HydrophobicContact CD1-CD2 4.02Å; L358-Y360 HydrophobicContact CD1-CE2 3.73Å; L358-Y360 VanDerWaalsContact O-CD1 3.24Å; L358-Y360 WeakPolarHBondContact O-CD1 3.35Å; L358-Y360 WeakPolarHBondContact O-CE1 3.32Å; L358-Y360 PolarHBondContact O-N 2.83Å
359	G	90.2	Very high	93.3	Very high	62 Å²	62	61.1 Å²	61.1	64%	0.639	32%	0.316	S	S	*	.			trans	68.9	15.2	-177.6	0	0	0	0	0	114.9	V354 V355	V354-G359 PolarHBondContact O-N 2.81Å; V355-G359 VanDerWaalsContact O-CA 3.27Å; V355-G359 WeakPolarHBondContact O-CA 3.14Å; V355-G359 PolarHBondContact O-N 3.2Å
360	Y	91.1	Very high	93.4	Very high	44 Å²	44	61.1 Å²	61.1	17%	0.173	32%	0.318	C	S	.	.			trans	-78.9	137.3	-177.7	-65.2	-3.6	0	0	0	111.7	L318 V354 L358 T362	L318-Y360 HydrophobicContact CB-CE2 4.42Å; V354-Y360 HydrophobicContact CG1-CD2 4.39Å; L358-Y360 HydrophobicContact CB-CD1 3.94Å; L358-Y360 HydrophobicContact CB-CD2 4.2Å; L358-Y360 HydrophobicContact CB-CE1 4.01Å; L358-Y360 HydrophobicContact CB-CE2 4.29Å; L358-Y360 HydrophobicContact CB-CG 4.02Å; L358-Y360 HydrophobicContact CD1-CD2 4.02Å; L358-Y360 HydrophobicContact CD1-CE2 3.73Å; L358-Y360 VanDerWaalsContact O-CD1 3.24Å; L358-Y360 WeakPolarHBondContact O-CD1 3.35Å; L358-Y360 WeakPolarHBondContact O-CE1 3.32Å; L358-Y360 PolarHBondContact O-N 2.83Å; Y360-T362 PolarHBondContact O-N 2.9Å; Y360-T362 PolarHBondContact O-OG1 3.03Å
361	D	91.8	Very high	93.4	Very high	59 Å²	59	61.1 Å²	61.1	32%	0.316	32%	0.318	S	S	.	.			trans	-62	100.6	170.6	-177.6	6.9	0	0	0	109.4	R272 T273 R363	R272-D361 HydrophobicContact CG-CB 4.21Å; R272-D361 IonicContact CZ-OD2 3.14Å; R272-D361 IonicContact NE-OD1 3.21Å; R272-D361 IonicContact NE-OD2 3.14Å; R272-D361 PolarHBondContact NE-OD2 2.89Å; R272-D361 IonicContact NH2-OD2 2.67Å; R272-D361 PolarHBondContact NH2-OD2 3.31Å; T273-D361 PolarHBondContact N-O 3.24Å; T273-D361 VanDerWaalsContact N-O 3.1Å; D361-R363 IonicContact OD1-CZ 3.79Å; D361-R363 IonicContact OD1-NE 2.91Å; D361-R363 PolarHBondContact OD1-NE 3.21Å; D361-R363 IonicContact OD1-NH2 3.48Å; D361-R363 PolarHBondContact OD1-NH2 3.43Å; D361-R363 IonicContact OD2-NH2 2.74Å
362	T	93.7	Very high	93.2	Very high	4 Å²	4	60.3 Å²	60.3	3%	0.025	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131.3	-169.6	-55.3	0	0	0	0	110.6	T273 V275 K351 V354 Y360	T273-T362 HydrophobicContact CG2-CG2 4.07Å; T273-T362 VanDerWaalsContact O-CA 3.29Å; T273-T362 WeakPolarHBondContact O-CA 3.22Å; V275-T362 HydrophobicContact CG2-CG2 4.01Å; K351-T362 HydrophobicContact CB-CG2 4.05Å; K351-T362 HydrophobicContact CG-CG2 4.1Å; V354-T362 HydrophobicContact CB-CG2 4.46Å; V354-T362 HydrophobicContact CG1-CG2 4.45Å; V354-T362 VanDerWaalsContact CG1-OG1 3.28Å; V354-T362 WeakPolarHBondContact CG1-OG1 3.29Å; Y360-T362 PolarHBondContact O-N 2.9Å; Y360-T362 PolarHBondContact O-OG1 3.03Å
363	R	94.9	Very high	92.9	Very high	122 Å²	122	57.9 Å²	57.9	46%	0.46	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	140.9	-178.9	-56.7	-63.3	160.7	170.7	-5.6	110.6	T273 F274 V275 D361	T273-R363 PolarHBondContact O-N 3.35Å; F274-R363 CarbonylContact C-O 3.59Å; F274-R363 WeakPolarHBondContact CA-O 3.36Å; F274-R363 HydrophobicContact CD1-CB 3.87Å; F274-R363 HydrophobicContact CE1-CB 3.65Å; F274-R363 HydrophobicContact CE1-CG 4.3Å; F274-R363 HydrophobicContact CZ-CB 4.15Å; F274-R363 HydrophobicContact CZ-CG 4.32Å; V275-R363 PolarHBondContact N-O 3.14Å; D361-R363 IonicContact OD1-CZ 3.79Å; D361-R363 IonicContact OD1-NE 2.91Å; D361-R363 PolarHBondContact OD1-NE 3.21Å; D361-R363 IonicContact OD1-NH2 3.48Å; D361-R363 PolarHBondContact OD1-NH2 3.43Å; D361-R363 IonicContact OD2-NH2 2.74Å
364	V	95.9	Very high	92.7	Very high	45 Å²	45	59.1 Å²	59.1	27%	0.273	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	135.2	172.1	168.7	0	0	0	0	108.1	V275 S347 K351 V366	V275-V364 HydrophobicContact CB-CG2 4.07Å; V275-V364 CarbonylContact O-C 3.44Å; V275-V364 WeakPolarHBondContact O-CA 3.09Å; S347-V364 WeakPolarHBondContact O-CG2 3.41Å; S347-V364 WeakPolarHBondContact OG-CG1 3.48Å; K351-V364 HydrophobicContact CB-CG2 3.73Å; K351-V364 HydrophobicContact CD-CB 4.44Å; K351-V364 HydrophobicContact CD-CG2 3.64Å; K351-V364 HydrophobicContact CG-CG2 4.33Å; V364-V366 HydrophobicContact CG1-CG2 4.15Å
365	T	95.3	Very high	92.7	Very high	43 Å²	43	63 Å²	63	26%	0.264	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	112.2	166.7	-54.6	0	0	0	0	108.6	I263 V275 L276 E277	I263-T365 HydrophobicContact CD1-CG2 4Å; V275-T365 PolarHBondContact O-N 2.85Å; L276-T365 WeakPolarHBondContact CA-O 3.4Å; E277-T365 PolarHBondContact N-O 3.44Å
366	V	95.7	Very high	92.8	Very high	81 Å²	81	60 Å²	60	49%	0.491	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	116.8	168.5	-178.8	0	0	0	0	107.7	E277 V364	E277-V366 HydrophobicContact CB-CB 4.42Å; E277-V366 HydrophobicContact CB-CG1 4.4Å; E277-V366 HydrophobicContact CB-CG2 4.1Å; E277-V366 WeakPolarHBondContact OE1-CG1 3.47Å; V364-V366 HydrophobicContact CG1-CG2 4.15Å
367	L	93.8	Very high	92.9	Very high	13 Å²	13	51.2 Å²	51.2	7%	0.068	29%	0.293	C	S	.	.			trans	-71.4	-41.8	-178.1	-80.8	73.5	0	0	0	110.8	I256 I259 L276 E277 V370 Q371	I256-L367 HydrophobicContact CB-CD2 4.08Å; I256-L367 HydrophobicContact CG1-CD2 3.94Å; I256-L367 HydrophobicContact CG2-CD2 3.9Å; I259-L367 HydrophobicContact CB-CD2 4.27Å; I259-L367 HydrophobicContact CD1-CD2 3.92Å; I259-L367 HydrophobicContact CD1-CG 4.08Å; I259-L367 HydrophobicContact CG2-CD1 4.49Å; I259-L367 HydrophobicContact CG2-CD2 4.29Å; I259-L367 HydrophobicContact CG2-CG 4.12Å; L276-L367 HydrophobicContact CB-CD1 4.25Å; E277-L367 WeakPolarHBondContact O-CD1 3.41Å; E277-L367 PolarHBondContact O-N 2.82Å; E277-L367 VanDerWaalsContact O-N 3.16Å; L367-V370 HydrophobicContact CB-CG2 4.14Å; L367-V370 WeakPolarHBondContact O-CG2 3.26Å; L367-Q371 HydrophobicContact CB-CG 4.04Å; L367-Q371 HydrophobicContact CD2-CG 4.25Å
368	G	92.5	Very high	93.1	Very high	19 Å²	19	45.2 Å²	45.2	20%	0.196	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	57.4	-146.1	-179.6	0	0	0	0	0	113.5	V370 Q371	G368-V370 PolarHBondContact O-N 3.04Å; G368-Q371 WeakPolarHBondContact O-CG 3.28Å; G368-Q371 PolarHBondContact O-N 2.92Å; G368-Q371 PolarHBondContact O-NE2 3.41Å
369	H	91.9	Very high	93.4	Very high	141 Å²	141	44.9 Å²	44.9	65%	0.653	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-67.5	-7.4	-167.2	-67.9	83.9	0	0	0	115.8	Q371 R372 G373	H369-Q371 PolarHBondContact O-N 3.47Å; H369-R372 PolarHBondContact O-N 2.73Å; H369-G373 PolarHBondContact O-N 3.38Å
370	V	93.7	Very high	93.7	Very high	75 Å²	75	42 Å²	42	46%	0.455	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-57.3	-21.9	170	-53.6	0	0	0	0	112.4	R255 I259 L367 G368	R255-V370 WeakPolarHBondContact CG-O 3.48Å; I259-V370 HydrophobicContact CD1-CB 4.34Å; I259-V370 HydrophobicContact CD1-CG2 3.37Å; L367-V370 HydrophobicContact CB-CG2 4.14Å; L367-V370 WeakPolarHBondContact O-CG2 3.26Å; G368-V370 PolarHBondContact O-N 3.04Å
371	Q	93.8	Very high	93.9	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-73	-25.2	176.8	-62.6	170	90.9	0	0	113.2	Q99 I236 A252 I256 M279 L367 G368 H369	Q99-Q371 PolarHBondContact NE2-O 3.13Å; I236-Q371 HydrophobicContact CD1-CB 4.3Å; A252-Q371 WeakPolarHBondContact CA-O 3.13Å; A252-Q371 WeakPolarHBondContact CB-O 3.33Å; I256-Q371 HydrophobicContact CD1-CG 4.47Å; I256-Q371 HydrophobicContact CG1-CG 3.82Å; M279-Q371 VanDerWaalsContact CG-NE2 3.33Å; M279-Q371 HydrophobicContact SD-CB 4.34Å; L367-Q371 HydrophobicContact CB-CG 4.04Å; L367-Q371 HydrophobicContact CD2-CG 4.25Å; G368-Q371 WeakPolarHBondContact O-CG 3.28Å; G368-Q371 PolarHBondContact O-N 2.92Å; G368-Q371 PolarHBondContact O-NE2 3.41Å; H369-Q371 PolarHBondContact O-N 3.47Å
372	R	91.1	Very high	94	Very high	33 Å²	33	37.6 Å²	37.6	13%	0.125	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-23.6	174.4	-66.2	-178.9	179.6	-88.2	-8.4	113	D97 Q99 I236 D237 H369	D97-R372 PolarHBondContact O-NH1 2.88Å; Q99-R372 WeakPolarHBondContact CG-O 3.47Å; Q99-R372 PolarHBondContact NE2-O 3.25Å; Q99-R372 VanDerWaalsContact NE2-O 3.17Å; I236-R372 HydrophobicContact CD1-CG 3.62Å; I236-R372 HydrophobicContact CG1-CG 4.3Å; I236-R372 HydrophobicContact CG2-CG 4.41Å; D237-R372 IonicContact OD1-NH2 3.7Å; D237-R372 IonicContact OD2-NH2 2.82Å; H369-R372 PolarHBondContact O-N 2.73Å
373	G	87.3	Confident	94.1	Very high	32 Å²	32	37.7 Å²	37.7	33%	0.33	22%	0.217	S	C	.	.			trans	-81.5	174.2	-179.3	0	0	0	0	0	115	Q99 H369	Q99-G373 PolarHBondContact NE2-O 3.2Å; H369-G373 PolarHBondContact O-N 3.38Å
374	G	90.4	Very high	94	Very high	42 Å²	42	31.9 Å²	31.9	43%	0.433	20%	0.196	S	C	.	.	S	Bend	trans	91.3	176.5	175.5	0	0	0	0	0	114.7	G151	G151-G374 WeakPolarHBondContact CA-O 3.39Å
375	T	93.2	Very high	94	Very high	82 Å²	82	29.8 Å²	29.8	50%	0.503	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-75.4	139.5	178.9	56.9	0	0	0	0	110.7	Q149	Q149-T375 WeakPolarHBondContact O-CG2 3.46Å
376	P	95.8	Very high	93.8	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.013	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-63.9	147	176.9	24.3	-32	0	0	0	112.4	Q99 L148 S251 D380 R381	Q99-P376 HydrophobicContact CB-CB 3.87Å; L148-P376 WeakPolarHBondContact O-CG 3.5Å; S251-P376 WeakPolarHBondContact OG-CA 3.47Å; P376-D380 HydrophobicContact CB-CB 4.39Å; P376-R381 HydrophobicContact CB-CG 3.99Å; P376-R381 HydrophobicContact CG-CG 3.79Å; P376-R381 PolarHBondContact O-NE 3.38Å; P376-R381 PolarHBondContact O-NH2 3.45Å
377	S	96.6	Very high	93.7	Very high	7 Å²	7	25.6 Å²	25.6	5%	0.049	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-63	162.7	171.1	77.5	0	0	0	0	111	D250 S251 F379 D380 R381 N618	D250-S377 WeakPolarHBondContact OD2-CB 3.49Å; D250-S377 PolarHBondContact OD2-OG 3.27Å; S251-S377 PolarHBondContact OG-N 2.81Å; S377-F379 PolarHBondContact O-N 2.87Å; S377-F379 PolarHBondContact OG-N 2.88Å; S377-D380 PolarHBondContact O-N 3.28Å; S377-D380 PolarHBondContact OG-N 3.01Å; S377-R381 VanDerWaalsContact O-CG 3.3Å; S377-R381 WeakPolarHBondContact O-CG 3.3Å; S377-R381 PolarHBondContact O-N 3.17Å; S377-R381 VanDerWaalsContact O-N 3.15Å; S377-N618 WeakPolarHBondContact CA-OD1 3.45Å
378	A	96.4	Very high	93.7	Very high	1 Å²	1	25 Å²	25	1%	0.008	15%	0.15	C	C	.	.	H	α-helix	trans	-61.8	-36.9	176	0	0	0	0	0	111.7	R381 I382 L617 N618 C621 A658	A378-R381 PolarHBondContact O-N 3.12Å; A378-I382 WeakPolarHBondContact O-CD1 3.42Å; A378-I382 WeakPolarHBondContact O-CG1 3.42Å; A378-I382 PolarHBondContact O-N 3.12Å; A378-L617 HydrophobicContact CB-CD1 4.45Å; A378-L617 HydrophobicContact CB-CD2 4.06Å; A378-L617 HydrophobicContact CB-CG 3.66Å; A378-N618 PolarHBondContact N-OD1 2.87Å; A378-C621 HydrophobicContact CB-CB 4.03Å; A378-A658 HydrophobicContact CB-CB 4.08Å
379	F	95.4	Very high	93.7	Very high	36 Å²	36	24.6 Å²	24.6	16%	0.158	14%	0.144	C	C	.	.	H	α-helix	trans	-58.9	-52.5	176.1	-175.1	-90.7	0	0	0	111.6	M245 D250 S377 R381 I382 L383 L409	M245-F379 HydrophobicContact CB-CE1 4.32Å; M245-F379 HydrophobicContact CE-CE1 4.06Å; M245-F379 HydrophobicContact CE-CZ 4.26Å; M245-F379 HydrophobicContact CG-CE1 4.01Å; D250-F379 HydrophobicContact CB-CB 4.46Å; D250-F379 HydrophobicContact CB-CD1 3.95Å; S377-F379 PolarHBondContact O-N 2.87Å; S377-F379 PolarHBondContact OG-N 2.88Å; F379-R381 VanDerWaalsContact C-N 3.33Å; F379-R381 PolarHBondContact O-N 3.17Å; F379-I382 PolarHBondContact O-N 3.31Å; F379-L383 HydrophobicContact CE1-CB 4.42Å; F379-L383 HydrophobicContact CE1-CD2 3.92Å; F379-L383 VanDerWaalsContact O-CB 3.3Å; F379-L383 WeakPolarHBondContact O-CB 3.33Å; F379-L383 PolarHBondContact O-N 3.31Å; F379-L409 HydrophobicContact CZ-CD2 3.95Å
380	D	96.3	Very high	93.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.6	-32.9	-179.3	-80.5	-44	0	0	0	113.1	G248 D250 S251 P376 S377 G384	G248-D380 VanDerWaalsContact CA-OD2 3.26Å; G248-D380 WeakPolarHBondContact CA-OD2 3.38Å; G248-D380 PolarHBondContact N-OD1 2.92Å; G248-D380 PolarHBondContact N-OD2 3.48Å; D250-D380 PolarHBondContact N-OD2 3.06Å; S251-D380 VanDerWaalsContact CB-OD2 3.23Å; S251-D380 WeakPolarHBondContact CB-OD2 3.4Å; S251-D380 PolarHBondContact N-OD2 3.47Å; S251-D380 PolarHBondContact OG-OD2 3.3Å; P376-D380 HydrophobicContact CB-CB 4.39Å; S377-D380 PolarHBondContact O-N 3.28Å; S377-D380 PolarHBondContact OG-N 3.01Å; D380-G384 PolarHBondContact O-N 2.99Å
381	R	96.3	Very high	93.7	Very high	3 Å²	3	16.1 Å²	16.1	1%	0.011	10%	0.099	C	C	.	.	H	α-helix	trans	-64.5	-43.2	173	-67.2	177.1	-153.8	-155.3	2.3	112	L148 P376 S377 A378 F379 S385 C621 D625 A658	L148-R381 WeakPolarHBondContact O-CD 3.16Å; L148-R381 WeakPolarHBondContact O-CG 3.36Å; L148-R381 PolarHBondContact O-NE 2.89Å; P376-R381 HydrophobicContact CB-CG 3.99Å; P376-R381 HydrophobicContact CG-CG 3.79Å; P376-R381 PolarHBondContact O-NE 3.38Å; P376-R381 PolarHBondContact O-NH2 3.45Å; S377-R381 VanDerWaalsContact O-CG 3.3Å; S377-R381 WeakPolarHBondContact O-CG 3.3Å; S377-R381 PolarHBondContact O-N 3.17Å; S377-R381 VanDerWaalsContact O-N 3.15Å; A378-R381 PolarHBondContact O-N 3.12Å; F379-R381 VanDerWaalsContact C-N 3.33Å; F379-R381 PolarHBondContact O-N 3.17Å; R381-S385 VanDerWaalsContact O-CB 3.25Å; R381-S385 WeakPolarHBondContact O-CB 3.35Å; R381-S385 PolarHBondContact O-N 3.19Å; R381-S385 PolarHBondContact O-OG 2.82Å; R381-C621 PolarHBondContact NH1-SG 2.73Å; R381-D625 IonicContact CZ-OD2 3.76Å; R381-D625 VanDerWaalsContact NH1-CG 3.28Å; R381-D625 IonicContact NH1-OD1 3.62Å; R381-D625 PolarHBondContact NH1-OD1 2.84Å; R381-D625 IonicContact NH1-OD2 2.87Å; R381-D625 PolarHBondContact NH1-OD2 2.77Å; R381-D625 IonicContact NH2-OD2 2.67Å; R381-D625 PolarHBondContact NH2-OD2 2.85Å; R381-A658 HydrophobicContact CB-CB 4.37Å; R381-A658 WeakPolarHBondContact CD-O 3.32Å
382	I	94.8	Very high	93.7	Very high	9 Å²	9	16.1 Å²	16.1	5%	0.046	10%	0.099	C	C	.	.	H	α-helix	trans	-68.7	-46.1	177	-72.6	155.9	0	0	0	110.2	A378 F379 S385 R386 L617 M654 L657 A658	A378-I382 WeakPolarHBondContact O-CD1 3.42Å; A378-I382 WeakPolarHBondContact O-CG1 3.42Å; A378-I382 PolarHBondContact O-N 3.12Å; F379-I382 PolarHBondContact O-N 3.31Å; I382-S385 PolarHBondContact O-N 3.18Å; I382-R386 HydrophobicContact CG2-CG 4.25Å; I382-R386 WeakPolarHBondContact O-CB 3.27Å; I382-R386 VanDerWaalsContact O-CG 3.26Å; I382-R386 WeakPolarHBondContact O-CG 3.47Å; I382-R386 PolarHBondContact O-N 3.45Å; I382-L617 HydrophobicContact CD1-CD2 3.78Å; I382-M654 HydrophobicContact CD1-CB 4.25Å; I382-M654 HydrophobicContact CD1-CE 3.91Å; I382-M654 HydrophobicContact CG1-CE 4.5Å; I382-M654 HydrophobicContact CG2-CE 3.92Å; I382-L657 HydrophobicContact CG1-CD2 4.33Å; I382-L657 HydrophobicContact CG1-CG 4.35Å; I382-L657 HydrophobicContact CG2-CD2 4.13Å; I382-A658 HydrophobicContact CD1-CB 3.9Å; I382-A658 HydrophobicContact CG1-CB 3.85Å
383	L	94.4	Very high	93.7	Very high	6 Å²	6	15.1 Å²	15.1	3%	0.031	10%	0.096	C	C	.	.	H	α-helix	trans	-58.4	-54.5	179.5	-178.3	63.2	0	0	0	110.8	I247 F379 S385 R386 M387 L409	I247-L383 HydrophobicContact CG1-CD2 4.1Å; I247-L383 HydrophobicContact CG1-CG 4.18Å; F379-L383 HydrophobicContact CE1-CB 4.42Å; F379-L383 HydrophobicContact CE1-CD2 3.92Å; F379-L383 VanDerWaalsContact O-CB 3.3Å; F379-L383 WeakPolarHBondContact O-CB 3.33Å; F379-L383 PolarHBondContact O-N 3.31Å; L383-S385 VanDerWaalsContact C-N 3.31Å; L383-S385 PolarHBondContact O-N 2.99Å; L383-R386 PolarHBondContact O-N 3.17Å; L383-M387 HydrophobicContact CD1-CE 3.67Å; L383-M387 HydrophobicContact CD1-CG 4.26Å; L383-M387 HydrophobicContact CD1-SD 3.81Å; L383-M387 HydrophobicContact CD2-SD 4.43Å; L383-M387 HydrophobicContact CG-CE 4.17Å; L383-M387 HydrophobicContact CG-SD 3.79Å; L383-M387 WeakPolarHBondContact O-CB 3.4Å; L383-M387 WeakPolarHBondContact O-CG 3.41Å; L383-M387 PolarHBondContact O-N 3Å; L383-L409 HydrophobicContact CD1-CB 4.11Å; L383-L409 HydrophobicContact CD1-CD1 4.04Å; L383-L409 HydrophobicContact CD1-CD2 4.05Å; L383-L409 HydrophobicContact CD1-CG 4.3Å
384	G	94.2	Very high	93.8	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59	-41.2	176.4	0	0	0	0	0	112.3	A104 D380 G388	A104-G384 VanDerWaalsContact CA-O 3.27Å; A104-G384 WeakPolarHBondContact CA-O 3.41Å; D380-G384 PolarHBondContact O-N 2.99Å; G384-G388 PolarHBondContact O-N 3.48Å
385	S	94.1	Very high	93.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64.5	-42.9	177.4	-60.9	0	0	0	0	112.8	A107 R381 I382 L383 V389	A107-S385 VanDerWaalsContact CB-O 3.32Å; A107-S385 WeakPolarHBondContact CB-O 3.35Å; R381-S385 VanDerWaalsContact O-CB 3.25Å; R381-S385 WeakPolarHBondContact O-CB 3.35Å; R381-S385 PolarHBondContact O-N 3.19Å; R381-S385 PolarHBondContact O-OG 2.82Å; I382-S385 PolarHBondContact O-N 3.18Å; L383-S385 VanDerWaalsContact C-N 3.31Å; L383-S385 PolarHBondContact O-N 2.99Å; S385-V389 WeakPolarHBondContact O-CG2 3.42Å; S385-V389 PolarHBondContact O-N 2.97Å
386	R	92.4	Very high	93.6	Very high	34 Å²	34	8.4 Å²	8.4	13%	0.128	4%	0.041	C	C	.	.	H	α-helix	trans	-65.9	-47.9	177.2	-70.8	171	68.3	-177.3	4.4	111.3	I382 L383 G388 V389 E390 N412 L816	I382-R386 HydrophobicContact CG2-CG 4.25Å; I382-R386 WeakPolarHBondContact O-CB 3.27Å; I382-R386 VanDerWaalsContact O-CG 3.26Å; I382-R386 WeakPolarHBondContact O-CG 3.47Å; I382-R386 PolarHBondContact O-N 3.45Å; L383-R386 PolarHBondContact O-N 3.17Å; R386-G388 VanDerWaalsContact C-N 3.33Å; R386-G388 PolarHBondContact O-N 2.74Å; R386-V389 PolarHBondContact O-N 3.43Å; R386-E390 PolarHBondContact O-N 2.72Å; R386-E390 VanDerWaalsContact O-N 3.12Å; R386-N412 PolarHBondContact NH1-O 2.87Å; R386-N412 PolarHBondContact NH1-OD1 2.91Å; R386-N412 VanDerWaalsContact NH1-OD1 3.09Å; R386-N412 PolarHBondContact NH2-O 2.81Å; R386-L816 HydrophobicContact CG-CD2 4.37Å
387	M	93	Very high	93.2	Very high	3 Å²	3	11.2 Å²	11.2	2%	0.015	5%	0.054	C	C	.	.	H	α-helix	trans	-62.6	-38.6	178.3	-76.2	176.5	160	0	0	112.3	L232 I247 L383 E390 A391 V407 L409	L232-M387 HydrophobicContact CD1-CB 4.39Å; L232-M387 HydrophobicContact CD2-CB 3.87Å; I247-M387 HydrophobicContact CD1-SD 3.75Å; I247-M387 HydrophobicContact CG1-SD 3.74Å; L383-M387 HydrophobicContact CD1-CE 3.67Å; L383-M387 HydrophobicContact CD1-CG 4.26Å; L383-M387 HydrophobicContact CD1-SD 3.81Å; L383-M387 HydrophobicContact CD2-SD 4.43Å; L383-M387 HydrophobicContact CG-CE 4.17Å; L383-M387 HydrophobicContact CG-SD 3.79Å; L383-M387 WeakPolarHBondContact O-CB 3.4Å; L383-M387 WeakPolarHBondContact O-CG 3.41Å; L383-M387 PolarHBondContact O-N 3Å; M387-E390 PolarHBondContact O-N 2.63Å; M387-A391 VanDerWaalsContact O-CB 3.3Å; M387-A391 WeakPolarHBondContact O-CB 3.29Å; M387-A391 PolarHBondContact O-N 3.1Å; M387-V407 HydrophobicContact CB-CG1 4.29Å; M387-V407 HydrophobicContact CG-CG1 4.02Å; M387-L409 HydrophobicContact CE-CB 4.01Å
388	G	94.1	Very high	92.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-69.1	-32.4	177	0	0	0	0	0	114.2	G384 R386 V392	G384-G388 PolarHBondContact O-N 3.48Å; R386-G388 VanDerWaalsContact C-N 3.33Å; R386-G388 PolarHBondContact O-N 2.74Å; G388-V392 PolarHBondContact O-N 3.42Å
389	V	92.3	Very high	92	Very high	10 Å²	10	14.2 Å²	14.2	6%	0.061	7%	0.074	C	C	.	.	H	α-helix	trans	-65.2	-51.7	171.3	175.5	0	0	0	0	109.8	A107 V111 S385 R386 A391 V392 M393 I819	A107-V389 HydrophobicContact CB-CG2 4.42Å; V111-V389 HydrophobicContact CG1-CG1 4.45Å; V111-V389 HydrophobicContact CG2-CB 4.19Å; V111-V389 HydrophobicContact CG2-CG1 4.24Å; V111-V389 HydrophobicContact CG2-CG2 3.67Å; S385-V389 WeakPolarHBondContact O-CG2 3.42Å; S385-V389 PolarHBondContact O-N 2.97Å; R386-V389 PolarHBondContact O-N 3.43Å; V389-A391 VanDerWaalsContact C-N 3.29Å; V389-A391 PolarHBondContact O-N 3.26Å; V389-V392 PolarHBondContact O-N 2.92Å; V389-V392 VanDerWaalsContact O-N 3.14Å; V389-M393 PolarHBondContact O-N 3.49Å; V389-I819 HydrophobicContact CG1-CD1 4.48Å; V389-I819 HydrophobicContact CG1-CG1 4.47Å; V389-I819 HydrophobicContact CG2-CG2 3.71Å
390	E	91.9	Very high	91.3	Very high	38 Å²	38	16 Å²	16	18%	0.178	9%	0.09	C	C	.	.	H	α-helix	trans	-61.6	-37	-179.1	-170.1	57	-135.5	0	0	112.1	R386 M387 V392 M393 A394 V407 A414 R416 A836	R386-E390 PolarHBondContact O-N 2.72Å; R386-E390 VanDerWaalsContact O-N 3.12Å; M387-E390 PolarHBondContact O-N 2.63Å; E390-V392 VanDerWaalsContact C-N 3.32Å; E390-V392 PolarHBondContact O-N 2.94Å; E390-M393 PolarHBondContact O-N 2.66Å; E390-A394 WeakPolarHBondContact O-CB 3.49Å; E390-A394 PolarHBondContact O-N 3.2Å; E390-V407 HydrophobicContact CB-CG1 3.89Å; E390-V407 HydrophobicContact CB-CG2 4.31Å; E390-V407 HydrophobicContact CG-CG1 3.77Å; E390-V407 HydrophobicContact CG-CG2 4.14Å; E390-A414 HydrophobicContact CG-CB 4.49Å; E390-R416 IonicContact OE1-CZ 2.65Å; E390-R416 IonicContact OE1-NE 2.74Å; E390-R416 PolarHBondContact OE1-NE 3.05Å; E390-R416 IonicContact OE1-NH2 2.66Å; E390-R416 PolarHBondContact OE1-NH2 2.83Å; E390-A836 WeakPolarHBondContact OE1-CB 3.45Å
391	A	93.9	Very high	90.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64.8	-34.1	176.8	0	0	0	0	0	113.2	V230 L232 M387 V389 L395 V407	V230-A391 HydrophobicContact CB-CB 4.43Å; V230-A391 HydrophobicContact CG1-CB 3.65Å; L232-A391 HydrophobicContact CD1-CB 4.27Å; L232-A391 HydrophobicContact CD2-CB 3.96Å; L232-A391 HydrophobicContact CG-CB 4.27Å; M387-A391 VanDerWaalsContact O-CB 3.3Å; M387-A391 WeakPolarHBondContact O-CB 3.29Å; M387-A391 PolarHBondContact O-N 3.1Å; V389-A391 VanDerWaalsContact C-N 3.29Å; V389-A391 PolarHBondContact O-N 3.26Å; A391-L395 WeakPolarHBondContact O-CB 3.43Å; A391-L395 VanDerWaalsContact O-CG 3.28Å; A391-L395 WeakPolarHBondContact O-CG 3.46Å; A391-L395 PolarHBondContact O-N 3.15Å; A391-V407 HydrophobicContact CB-CG2 4.11Å
392	V	93.6	Very high	89.9	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-68.8	-44	173.7	172.7	0	0	0	0	110.5	I89 V108 V111 G388 V389 E390 A394 L395 L396	I89-V392 HydrophobicContact CD1-CG1 4.13Å; V108-V392 HydrophobicContact CB-CG2 4.2Å; V108-V392 HydrophobicContact CG1-CG2 3.96Å; V108-V392 HydrophobicContact CG2-CG2 4.4Å; V108-V392 WeakPolarHBondContact O-CG2 3.24Å; V111-V392 HydrophobicContact CB-CB 4.24Å; V111-V392 HydrophobicContact CB-CG1 4.32Å; V111-V392 HydrophobicContact CB-CG2 4.2Å; V111-V392 HydrophobicContact CG1-CB 3.91Å; V111-V392 HydrophobicContact CG1-CG1 3.8Å; V111-V392 HydrophobicContact CG1-CG2 4.43Å; G388-V392 PolarHBondContact O-N 3.42Å; V389-V392 PolarHBondContact O-N 2.92Å; V389-V392 VanDerWaalsContact O-N 3.14Å; E390-V392 VanDerWaalsContact C-N 3.32Å; E390-V392 PolarHBondContact O-N 2.94Å; V392-A394 PolarHBondContact O-N 3.41Å; V392-L395 PolarHBondContact O-N 3.35Å; V392-L396 HydrophobicContact CG1-CD1 3.56Å; V392-L396 HydrophobicContact CG1-CG 4.13Å; V392-L396 WeakPolarHBondContact O-CB 3.46Å; V392-L396 VanDerWaalsContact O-CG 3.22Å; V392-L396 WeakPolarHBondContact O-CG 3.49Å; V392-L396 PolarHBondContact O-N 2.9Å
393	M	90.3	Very high	89.4	Confident	12 Å²	12	27.6 Å²	27.6	6%	0.059	16%	0.156	C	C	.	.	H	α-helix	trans	-60	-47.7	176.6	-60.4	-58.5	140.6	0	0	111	V111 T115 V389 E390 L395 L396 E397 L830	V111-M393 HydrophobicContact CG1-CE 3.37Å; T115-M393 HydrophobicContact CG2-CE 3.97Å; V389-M393 PolarHBondContact O-N 3.49Å; E390-M393 PolarHBondContact O-N 2.66Å; M393-L395 VanDerWaalsContact C-N 3.33Å; M393-L395 PolarHBondContact O-N 2.76Å; M393-L396 PolarHBondContact O-N 3.46Å; M393-L396 VanDerWaalsContact O-N 3.15Å; M393-E397 WeakPolarHBondContact O-CB 3.42Å; M393-E397 WeakPolarHBondContact O-CG 3.35Å; M393-E397 PolarHBondContact O-N 3.22Å; M393-L830 HydrophobicContact CE-CD2 3.32Å; M393-L830 HydrophobicContact SD-CD2 3.76Å
394	A	90.1	Very high	89	Confident	8 Å²	8	27.5 Å²	27.5	7%	0.066	16%	0.157	C	C	.	.	H	α-helix	trans	-60	-35.8	176.6	0	0	0	0	0	114.1	V230 E390 V392 G398	V230-A394 HydrophobicContact CG2-CB 3.74Å; E390-A394 WeakPolarHBondContact O-CB 3.49Å; E390-A394 PolarHBondContact O-N 3.2Å; V392-A394 PolarHBondContact O-N 3.41Å; A394-G398 PolarHBondContact O-N 2.91Å
395	L	91.6	Very high	88.9	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-71.4	-40.3	173.9	-75.8	171.8	0	0	0	112.3	I89 N183 C185 N228 V230 A391 V392 M393 G398	I89-L395 HydrophobicContact CG2-CD1 3.88Å; N183-L395 HydrophobicContact CB-CB 4.23Å; N183-L395 HydrophobicContact CB-CD1 4.28Å; N183-L395 HydrophobicContact CB-CD2 4.04Å; N183-L395 HydrophobicContact CB-CG 4.41Å; N183-L395 PolarHBondContact OD1-O 3.03Å; N183-L395 VanDerWaalsContact OD1-O 3.09Å; C185-L395 HydrophobicContact CB-CD1 4.04Å; N228-L395 HydrophobicContact CB-CD2 3.9Å; N228-L395 PolarHBondContact ND2-O 3.01Å; N228-L395 VanDerWaalsContact ND2-O 3.17Å; V230-L395 HydrophobicContact CB-CD2 4.05Å; V230-L395 HydrophobicContact CB-CG 4Å; V230-L395 HydrophobicContact CG2-CD2 3.65Å; V230-L395 HydrophobicContact CG2-CG 3.63Å; A391-L395 WeakPolarHBondContact O-CB 3.43Å; A391-L395 VanDerWaalsContact O-CG 3.28Å; A391-L395 WeakPolarHBondContact O-CG 3.46Å; A391-L395 PolarHBondContact O-N 3.15Å; V392-L395 PolarHBondContact O-N 3.35Å; M393-L395 VanDerWaalsContact C-N 3.33Å; M393-L395 PolarHBondContact O-N 2.76Å; L395-G398 PolarHBondContact O-N 3.21Å
396	L	88.8	Confident	88.8	Confident	6 Å²	6	27.8 Å²	27.8	3%	0.031	16%	0.159	C	C	.	.	H	α-helix	trans	-74.6	-31.3	-176.7	-67	175.4	0	0	0	113.1	L83 K87 I89 T115 A117 V392 M393	L83-L396 HydrophobicContact CB-CD1 4.23Å; K87-L396 HydrophobicContact CB-CD2 4.39Å; K87-L396 HydrophobicContact CD-CD2 3.63Å; K87-L396 PolarHBondContact NZ-O 3.22Å; I89-L396 HydrophobicContact CD1-CD2 4.31Å; T115-L396 HydrophobicContact CG2-CD1 3.92Å; T115-L396 WeakPolarHBondContact OG1-CD1 3.45Å; A117-L396 HydrophobicContact CB-CD2 4.49Å; V392-L396 HydrophobicContact CG1-CD1 3.56Å; V392-L396 HydrophobicContact CG1-CG 4.13Å; V392-L396 WeakPolarHBondContact O-CB 3.46Å; V392-L396 VanDerWaalsContact O-CG 3.22Å; V392-L396 WeakPolarHBondContact O-CG 3.49Å; V392-L396 PolarHBondContact O-N 2.9Å; M393-L396 PolarHBondContact O-N 3.46Å; M393-L396 VanDerWaalsContact O-N 3.15Å
397	E	87	Confident	88.8	Confident	61 Å²	61	26.2 Å²	26.2	29%	0.285	15%	0.153	S	C	.	.	S	Bend	trans	-81.4	-13.2	172.7	-67.4	169.5	-176.7	0	0	113	M393 T399 R416 H835	M393-E397 WeakPolarHBondContact O-CB 3.42Å; M393-E397 WeakPolarHBondContact O-CG 3.35Å; M393-E397 PolarHBondContact O-N 3.22Å; E397-T399 PolarHBondContact O-N 2.75Å; E397-R416 IonicContact OE1-NH2 2.72Å; E397-R416 IonicContact OE2-CZ 2.72Å; E397-R416 IonicContact OE2-NH1 2.61Å; E397-R416 PolarHBondContact OE2-NH1 2.86Å; E397-R416 IonicContact OE2-NH2 3.42Å; E397-R416 PolarHBondContact OE2-NH2 3.37Å; E397-H835 IonicContact OE1-ND1 2.62Å
398	G	83.8	Confident	88.7	Confident	10 Å²	10	26 Å²	26	10%	0.103	15%	0.152	C	C	.	.			trans	-66.3	125.2	-172.9	0	0	0	0	0	114.1	N228 A394 L395	N228-G398 PolarHBondContact ND2-O 3.4Å; A394-G398 PolarHBondContact O-N 2.91Å; L395-G398 PolarHBondContact O-N 3.21Å
399	T	83.1	Confident	88.4	Confident	62 Å²	62	26.5 Å²	26.5	38%	0.38	16%	0.155	S	C	.	.			trans	-103.6	167.2	173.7	68.1	0	0	0	0	111.4	E397 D401 T402	E397-T399 PolarHBondContact O-N 2.75Å; T399-D401 PolarHBondContact O-N 3.43Å; T399-T402 PolarHBondContact N-OG1 3.36Å; T399-T402 VanDerWaalsContact N-OG1 3.12Å; T399-T402 VanDerWaalsContact O-CB 3.3Å; T399-T402 WeakPolarHBondContact O-CB 3.05Å; T399-T402 PolarHBondContact O-N 3.21Å; T399-T402 PolarHBondContact OG1-N 3.23Å; T399-T402 PolarHBondContact OG1-OG1 2.91Å
400	P	80.4	Confident	87.9	Confident	74 Å²	74	26.9 Å²	26.9	48%	0.481	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-40.1	174.1	-27.7	35.8	0	0	0	113.7	Y226 T402	Y226-P400 HydrophobicContact CD1-CG 3.81Å; Y226-P400 HydrophobicContact CD2-CG 4.28Å; Y226-P400 HydrophobicContact CE1-CG 4.1Å; Y226-P400 HydrophobicContact CG-CB 4.47Å; Y226-P400 HydrophobicContact CG-CG 3.91Å; P400-T402 VanDerWaalsContact C-N 3.3Å; P400-T402 PolarHBondContact O-N 3.39Å
401	D	81.9	Confident	87.4	Confident	149 Å²	149	25.7 Å²	25.7	80%	0.797	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-14.3	-179.9	-50.4	-62.6	0	0	0	113.7	T399	T399-D401 PolarHBondContact O-N 3.43Å
402	T	81.9	Confident	86.7	Confident	47 Å²	47	26.3 Å²	26.3	29%	0.288	16%	0.159	S	C	.	.	S	Bend	trans	-69.2	125	178.7	-59.2	0	0	0	0	109	R200 T399 P400	R200-T402 PolarHBondContact NH1-O 3.35Å; R200-T402 PolarHBondContact NH2-O 3.18Å; T399-T402 PolarHBondContact N-OG1 3.36Å; T399-T402 VanDerWaalsContact N-OG1 3.12Å; T399-T402 VanDerWaalsContact O-CB 3.3Å; T399-T402 WeakPolarHBondContact O-CB 3.05Å; T399-T402 PolarHBondContact O-N 3.21Å; T399-T402 PolarHBondContact OG1-N 3.23Å; T399-T402 PolarHBondContact OG1-OG1 2.91Å; P400-T402 VanDerWaalsContact C-N 3.3Å; P400-T402 PolarHBondContact O-N 3.39Å
403	P	84.1	Confident	86.1	Confident	58 Å²	58	31.3 Å²	31.3	38%	0.377	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-69	155.5	176	28.8	-35	0	0	0	111.2	C405 L838	P403-C405 PolarHBondContact O-N 3.46Å; P403-L838 HydrophobicContact CG-CD1 4.39Å; P403-L838 HydrophobicContact CG-CD2 3.45Å; P403-L838 VanDerWaalsContact CG-CD2 3.45Å
404	A	87.4	Confident	85.8	Confident	5 Å²	5	32 Å²	32	4%	0.041	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-61.3	130	173.6	0	0	0	0	0	109	D197 I229 L419	D197-A404 WeakPolarHBondContact OD1-CB 3.49Å; I229-A404 HydrophobicContact CB-CB 4.43Å; A404-L419 HydrophobicContact CB-CB 4.32Å; A404-L419 HydrophobicContact CB-CD1 4.43Å; A404-L419 VanDerWaalsContact O-CB 3.3Å; A404-L419 WeakPolarHBondContact O-CB 3.18Å; A404-L419 PolarHBondContact O-N 3.12Å
405	C	91.1	Very high	85.6	Confident	6 Å²	6	32.2 Å²	32.2	4%	0.041	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	156.3	-175.2	75.7	0	0	0	0	112.6	V230 G231 P403 L417 L838	V230-C405 WeakPolarHBondContact CA-O 3.4Å; G231-C405 PolarHBondContact N-O 2.93Å; P403-C405 PolarHBondContact O-N 3.46Å; C405-L417 CarbonylContact C-O 3.58Å; C405-L417 WeakPolarHBondContact CA-O 3.45Å; C405-L417 WeakPolarHBondContact CB-O 3.4Å; C405-L838 HydrophobicContact CB-CD1 3.78Å
406	V	92.6	Very high	85.6	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.7	171	169.4	0	0	0	0	108.4	L193 G231 V233 F240 S408 L417 L419	L193-V406 HydrophobicContact CD1-CG2 4.05Å; G231-V406 VanDerWaalsContact O-CA 3.28Å; G231-V406 WeakPolarHBondContact O-CA 3.39Å; V233-V406 HydrophobicContact CG2-CG1 3.55Å; F240-V406 HydrophobicContact CE1-CG1 3.92Å; F240-V406 HydrophobicContact CZ-CG1 4.25Å; F240-V406 HydrophobicContact CZ-CG2 4.09Å; V406-S408 PolarHBondContact O-N 3.07Å; V406-L417 PolarHBondContact N-O 3.44Å; V406-L417 PolarHBondContact O-N 2.89Å; V406-L419 HydrophobicContact CG2-CB 3.87Å; V406-L419 HydrophobicContact CG2-CD1 3.94Å; V406-L419 HydrophobicContact CG2-CG 3.7Å
407	V	92.4	Very high	85.6	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	119.4	169.1	-170.6	0	0	0	0	108.2	V230 G231 L232 M387 E390 A391 A414 V415	V230-V407 HydrophobicContact CG1-CG2 3.81Å; G231-V407 PolarHBondContact O-N 3.18Å; L232-V407 HydrophobicContact CD2-CB 3.58Å; L232-V407 HydrophobicContact CD2-CG2 3.83Å; M387-V407 HydrophobicContact CB-CG1 4.29Å; M387-V407 HydrophobicContact CG-CG1 4.02Å; E390-V407 HydrophobicContact CB-CG1 3.89Å; E390-V407 HydrophobicContact CB-CG2 4.31Å; E390-V407 HydrophobicContact CG-CG1 3.77Å; E390-V407 HydrophobicContact CG-CG2 4.14Å; A391-V407 HydrophobicContact CB-CG2 4.11Å; V407-A414 HydrophobicContact CG1-CB 4.24Å; V407-V415 WeakPolarHBondContact CA-O 3.46Å
408	S	89.4	Confident	85.8	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	158.8	-177	-65.4	0	0	0	0	111.1	V406 A414 V415	V406-S408 PolarHBondContact O-N 3.07Å; S408-A414 WeakPolarHBondContact O-CA 3.26Å; S408-V415 PolarHBondContact N-O 2.8Å; S408-V415 PolarHBondContact O-N 3.27Å
409	L	88.1	Confident	86	Confident	10 Å²	10	30.4 Å²	30.4	5%	0.052	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125	169.2	-174.6	69.7	0	0	0	109.4	T243 D244 M245 F379 L383 M387 G411	T243-L409 PolarHBondContact OG1-N 3.1Å; D244-L409 PolarHBondContact N-O 3.33Å; M245-L409 HydrophobicContact CB-CD2 4.04Å; F379-L409 HydrophobicContact CZ-CD2 3.95Å; L383-L409 HydrophobicContact CD1-CB 4.11Å; L383-L409 HydrophobicContact CD1-CD1 4.04Å; L383-L409 HydrophobicContact CD1-CD2 4.05Å; L383-L409 HydrophobicContact CD1-CG 4.3Å; M387-L409 HydrophobicContact CE-CB 4.01Å; L409-G411 WeakPolarHBondContact CG-O 3.34Å
410	S	82.6	Confident	86	Confident	18 Å²	18	31.4 Å²	31.4	13%	0.126	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	103.4	174.6	176	0	0	0	0	108.6	N412 Q413 K844	S410-N412 PolarHBondContact O-N 3.27Å; S410-Q413 PolarHBondContact N-O 3.07Å; S410-Q413 PolarHBondContact O-N 3.35Å; S410-Q413 VanDerWaalsContact O-N 3.08Å; S410-K844 PolarHBondContact OG-NZ 2.86Å
411	G	81.4	Confident	86.3	Confident	13 Å²	13	30.2 Å²	30.2	13%	0.134	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	-112.7	-166.6	0	0	0	0	0	111.2	D244 L409 K786	D244-G411 PolarHBondContact OD2-N 3.26Å; L409-G411 WeakPolarHBondContact CG-O 3.34Å; G411-K786 CarbonylContact C-O 3.58Å; G411-K786 WeakPolarHBondContact CA-O 3.19Å
412	N	78.4	Confident	86.6	Confident	13 Å²	13	23.1 Å²	23.1	7%	0.07	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	14.9	175.1	-166.9	17.1	0	0	0	113.4	R386 S410 F609 K786 W812	R386-N412 PolarHBondContact NH1-O 2.87Å; R386-N412 PolarHBondContact NH1-OD1 2.91Å; R386-N412 VanDerWaalsContact NH1-OD1 3.09Å; R386-N412 PolarHBondContact NH2-O 2.81Å; S410-N412 PolarHBondContact O-N 3.27Å; N412-F609 HydrophobicContact CB-CE2 4.12Å; N412-K786 PolarHBondContact N-O 2.68Å; N412-K786 VanDerWaalsContact N-O 3.13Å; N412-W812 VanDerWaalsContact ND2-CH2 3.3Å; N412-W812 WeakPolarHBondContact ND2-CH2 3.28Å; N412-W812 WeakPolarHBondContact ND2-CZ2 3.46Å; N412-W812 VanDerWaalsContact ND2-CZ3 3.31Å; N412-W812 WeakPolarHBondContact ND2-CZ3 3.42Å
413	Q	80.7	Confident	86.8	Confident	104 Å²	104	21 Å²	21	49%	0.486	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	143.2	179.5	-67.9	-179.5	-54.2	0	0	110.8	S410	S410-Q413 PolarHBondContact N-O 3.07Å; S410-Q413 PolarHBondContact O-N 3.35Å; S410-Q413 VanDerWaalsContact O-N 3.08Å
414	A	84.3	Confident	86.9	Confident	26 Å²	26	22.8 Å²	22.8	22%	0.215	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	135.4	168	0	0	0	0	0	108	E390 V407 S408	E390-A414 HydrophobicContact CG-CB 4.49Å; V407-A414 HydrophobicContact CG1-CB 4.24Å; S408-A414 WeakPolarHBondContact O-CA 3.26Å
415	V	87.5	Confident	86.9	Confident	13 Å²	13	23.4 Å²	23.4	8%	0.079	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	151.1	-179	-63.8	0	0	0	0	110.3	V407 S408 L417	V407-V415 WeakPolarHBondContact CA-O 3.46Å; S408-V415 PolarHBondContact N-O 2.8Å; S408-V415 PolarHBondContact O-N 3.27Å; V415-L417 HydrophobicContact CG2-CD2 4.12Å; V415-L417 HydrophobicContact CG2-CG 4.24Å
416	R	90.6	Very high	86.7	Confident	26 Å²	26	23.6 Å²	23.6	10%	0.098	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	120.9	176.4	-55.2	-178.9	-167.6	171.6	3.9	109.2	E390 E397 A836 L838 E839	E390-R416 IonicContact OE1-CZ 2.65Å; E390-R416 IonicContact OE1-NE 2.74Å; E390-R416 PolarHBondContact OE1-NE 3.05Å; E390-R416 IonicContact OE1-NH2 2.66Å; E390-R416 PolarHBondContact OE1-NH2 2.83Å; E397-R416 IonicContact OE1-NH2 2.72Å; E397-R416 IonicContact OE2-CZ 2.72Å; E397-R416 IonicContact OE2-NH1 2.61Å; E397-R416 PolarHBondContact OE2-NH1 2.86Å; E397-R416 IonicContact OE2-NH2 3.42Å; E397-R416 PolarHBondContact OE2-NH2 3.37Å; R416-A836 WeakPolarHBondContact CD-O 3.23Å; R416-A836 HydrophobicContact CG-CB 4.21Å; R416-L838 HydrophobicContact CB-CD1 4.42Å; R416-E839 PolarHBondContact O-N 3.42Å
417	L	89.9	Confident	86.5	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.01	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	146.3	178.8	-56.9	-177.4	0	0	0	110.8	G242 C405 V406 V415 L419 E839 I841	G242-L417 WeakPolarHBondContact O-CD1 3.32Å; C405-L417 CarbonylContact C-O 3.58Å; C405-L417 WeakPolarHBondContact CA-O 3.45Å; C405-L417 WeakPolarHBondContact CB-O 3.4Å; V406-L417 PolarHBondContact N-O 3.44Å; V406-L417 PolarHBondContact O-N 2.89Å; V415-L417 HydrophobicContact CG2-CD2 4.12Å; V415-L417 HydrophobicContact CG2-CG 4.24Å; L417-L419 PolarHBondContact O-N 3.19Å; L417-E839 HydrophobicContact CD2-CB 3.79Å; L417-E839 WeakPolarHBondContact CD2-O 3.26Å; L417-I841 HydrophobicContact CD1-CG1 4.41Å
418	P	89.6	Confident	86.4	Confident	11 Å²	11	30.8 Å²	30.8	7%	0.071	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	123.1	171.6	-17.6	28	0	0	0	110.8	M420 E421 C422 L838 E839	P418-M420 VanDerWaalsContact C-N 3.32Å; P418-M420 PolarHBondContact O-N 2.79Å; P418-E421 HydrophobicContact CB-CB 4.24Å; P418-E421 HydrophobicContact CB-CG 4.01Å; P418-E421 HydrophobicContact CG-CG 4.31Å; P418-E421 PolarHBondContact O-N 2.68Å; P418-C422 PolarHBondContact O-N 3.21Å; P418-C422 PolarHBondContact O-SG 3.38Å; P418-L838 HydrophobicContact CG-CD2 3.96Å; P418-L838 HydrophobicContact CG-CG 4.19Å; P418-E839 WeakPolarHBondContact CD-O 3.43Å
419	L	88	Confident	86.3	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-57.8	-45	-173.3	-178.3	158.7	0	0	0	111.6	L193 D197 A404 V406 L417 E421 C422 V423	L193-L419 HydrophobicContact CB-CD1 4.16Å; L193-L419 HydrophobicContact CB-CG 4.42Å; D197-L419 HydrophobicContact CB-CD2 3.78Å; A404-L419 HydrophobicContact CB-CB 4.32Å; A404-L419 HydrophobicContact CB-CD1 4.43Å; A404-L419 VanDerWaalsContact O-CB 3.3Å; A404-L419 WeakPolarHBondContact O-CB 3.18Å; A404-L419 PolarHBondContact O-N 3.12Å; V406-L419 HydrophobicContact CG2-CB 3.87Å; V406-L419 HydrophobicContact CG2-CD1 3.94Å; V406-L419 HydrophobicContact CG2-CG 3.7Å; L417-L419 PolarHBondContact O-N 3.19Å; L419-E421 PolarHBondContact O-N 3.24Å; L419-C422 WeakPolarHBondContact O-CB 3.44Å; L419-C422 PolarHBondContact O-N 3.31Å; L419-V423 HydrophobicContact CD2-CG2 3.84Å; L419-V423 WeakPolarHBondContact O-CG2 3.39Å; L419-V423 PolarHBondContact O-N 2.72Å
420	M	83.3	Confident	86.3	Confident	83 Å²	83	32.9 Å²	32.9	41%	0.409	17%	0.172	S	C	.	.	H	α-helix	trans	-71.1	-26.4	-177.1	-74.2	-61	-75.2	0	0	114	D197 P418 Q424	D197-M420 HydrophobicContact CB-CG 4.4Å; D197-M420 HydrophobicContact CB-SD 4.18Å; D197-M420 VanDerWaalsContact CG-CG 3.5Å; D197-M420 WeakPolarHBondContact OD2-CG 3.34Å; D197-M420 VanDerWaalsContact OD2-SD 3.36Å; P418-M420 VanDerWaalsContact C-N 3.32Å; P418-M420 PolarHBondContact O-N 2.79Å; M420-Q424 VanDerWaalsContact O-CB 3.3Å; M420-Q424 WeakPolarHBondContact O-CB 3.43Å; M420-Q424 PolarHBondContact O-N 3.11Å
421	E	87.5	Confident	86.8	Confident	49 Å²	49	37.3 Å²	37.3	23%	0.229	19%	0.189	C	C	.	.	H	α-helix	trans	-66.1	-46.7	169.9	-71.3	-174.8	-163.4	0	0	110.7	P418 L419 V423 Q424 V425 H840 I841	P418-E421 HydrophobicContact CB-CB 4.24Å; P418-E421 HydrophobicContact CB-CG 4.01Å; P418-E421 HydrophobicContact CG-CG 4.31Å; P418-E421 PolarHBondContact O-N 2.68Å; L419-E421 PolarHBondContact O-N 3.24Å; E421-V423 PolarHBondContact O-N 2.89Å; E421-Q424 PolarHBondContact O-N 2.91Å; E421-V425 WeakPolarHBondContact O-CG2 3.49Å; E421-V425 PolarHBondContact O-N 3.21Å; E421-H840 IonicContact OE1-CE1 2.69Å; E421-H840 IonicContact OE1-CG 2.85Å; E421-H840 IonicContact OE1-ND1 3.45Å; E421-H840 PolarHBondContact OE1-ND1 2.88Å; E421-H840 IonicContact OE2-ND1 2.62Å; E421-I841 HydrophobicContact CB-CD1 3.86Å; E421-I841 HydrophobicContact CB-CG1 4.31Å; E421-I841 PolarHBondContact OE2-N 3.15Å
422	C	86.9	Confident	87.3	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.2	-46.2	177	-59	0	0	0	0	112	F240 C241 P418 L419 T426 I841	F240-C422 HydrophobicContact CD1-CB 4.34Å; F240-C422 HydrophobicContact CE1-CB 3.36Å; F240-C422 HydrophobicContact CE2-CB 4.17Å; F240-C422 HydrophobicContact CZ-CB 3.25Å; C241-C422 WeakPolarHBondContact O-CA 3.36Å; C241-C422 VanDerWaalsContact O-CB 3.24Å; C241-C422 WeakPolarHBondContact O-CB 3.49Å; P418-C422 PolarHBondContact O-N 3.21Å; P418-C422 PolarHBondContact O-SG 3.38Å; L419-C422 WeakPolarHBondContact O-CB 3.44Å; L419-C422 PolarHBondContact O-N 3.31Å; C422-T426 WeakPolarHBondContact O-CB 3.3Å; C422-T426 PolarHBondContact O-N 3.49Å; C422-T426 PolarHBondContact O-OG1 3.43Å; C422-I841 HydrophobicContact CB-CD1 4.29Å
423	V	86.4	Confident	87.7	Confident	4 Å²	4	37.1 Å²	37.1	2%	0.024	19%	0.185	C	C	.	.	H	α-helix	trans	-65.1	-42.2	179.4	169.1	0	0	0	0	111.3	T194 F240 L419 E421 T426 K427	T194-V423 HydrophobicContact CG2-CG1 4.46Å; T194-V423 WeakPolarHBondContact OG1-CG1 3.14Å; F240-V423 HydrophobicContact CE2-CG2 4.09Å; L419-V423 HydrophobicContact CD2-CG2 3.84Å; L419-V423 WeakPolarHBondContact O-CG2 3.39Å; L419-V423 PolarHBondContact O-N 2.72Å; E421-V423 PolarHBondContact O-N 2.89Å; V423-T426 PolarHBondContact O-N 3.05Å; V423-K427 HydrophobicContact CG1-CD 4.3Å; V423-K427 WeakPolarHBondContact O-CG 3.22Å; V423-K427 PolarHBondContact O-N 3.43Å
424	Q	87.1	Confident	88.1	Confident	94 Å²	94	39.2 Å²	39.2	44%	0.439	20%	0.195	S	C	.	.	H	α-helix	trans	-63.7	-49.5	177.9	-174.7	56.7	46.4	0	0	111.3	M420 E421 T426 K427 D428	M420-Q424 VanDerWaalsContact O-CB 3.3Å; M420-Q424 WeakPolarHBondContact O-CB 3.43Å; M420-Q424 PolarHBondContact O-N 3.11Å; E421-Q424 PolarHBondContact O-N 2.91Å; Q424-T426 PolarHBondContact O-N 3.11Å; Q424-K427 WeakPolarHBondContact O-CB 3.2Å; Q424-K427 PolarHBondContact O-N 3.28Å; Q424-D428 PolarHBondContact NE2-OD1 3.44Å; Q424-D428 PolarHBondContact O-N 3.15Å
425	V	87.1	Confident	88.5	Confident	18 Å²	18	42.4 Å²	42.4	11%	0.109	21%	0.205	C	C	.	.	H	α-helix	trans	-59.8	-34.6	177.7	177.5	0	0	0	0	111.5	C241 E421 D428 V429 L444	C241-V425 HydrophobicContact CB-CB 4.02Å; C241-V425 HydrophobicContact CB-CG1 3.58Å; E421-V425 WeakPolarHBondContact O-CG2 3.49Å; E421-V425 PolarHBondContact O-N 3.21Å; V425-D428 PolarHBondContact O-N 3.06Å; V425-V429 PolarHBondContact O-N 2.73Å; V425-L444 HydrophobicContact CG1-CD2 4.4Å
426	T	87.3	Confident	88.7	Confident	11 Å²	11	46.9 Å²	46.9	7%	0.067	22%	0.224	C	C	.	.	H	α-helix	trans	-66	-41	175.3	-56.2	0	0	0	0	111.9	C241 C422 V423 Q424 V429	C241-T426 PolarHBondContact N-OG1 3.08Å; C422-T426 WeakPolarHBondContact O-CB 3.3Å; C422-T426 PolarHBondContact O-N 3.49Å; C422-T426 PolarHBondContact O-OG1 3.43Å; V423-T426 PolarHBondContact O-N 3.05Å; Q424-T426 PolarHBondContact O-N 3.11Å; T426-V429 PolarHBondContact O-N 3.24Å
427	K	88.1	Confident	88.8	Confident	100 Å²	100	50.1 Å²	50.1	44%	0.435	24%	0.238	S	C	.	.	H	α-helix	trans	-66.3	-36.8	173.6	-69.6	170.8	-179	172.8	0	112.2	V423 Q424 V429 T430 K431	V423-K427 HydrophobicContact CG1-CD 4.3Å; V423-K427 WeakPolarHBondContact O-CG 3.22Å; V423-K427 PolarHBondContact O-N 3.43Å; Q424-K427 WeakPolarHBondContact O-CB 3.2Å; Q424-K427 PolarHBondContact O-N 3.28Å; K427-V429 VanDerWaalsContact C-N 3.26Å; K427-V429 PolarHBondContact O-N 3Å; K427-T430 PolarHBondContact O-N 3.32Å; K427-T430 VanDerWaalsContact O-N 3.17Å; K427-K431 PolarHBondContact O-N 2.89Å
428	D	89.9	Confident	88.8	Confident	51 Å²	51	51.2 Å²	51.2	27%	0.273	24%	0.243	S	C	.	.	H	α-helix	trans	-62.4	-32.7	177.3	-60.1	-27.6	0	0	0	111.8	Q424 V425 A432 L444	Q424-D428 PolarHBondContact NE2-OD1 3.44Å; Q424-D428 PolarHBondContact O-N 3.15Å; V425-D428 PolarHBondContact O-N 3.06Å; D428-A432 VanDerWaalsContact O-CB 3.3Å; D428-A432 WeakPolarHBondContact O-CB 3.41Å; D428-A432 PolarHBondContact O-N 2.89Å; D428-L444 HydrophobicContact CB-CD1 4.07Å
429	V	88.4	Confident	88.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-49.6	172	-179.9	0	0	0	0	111	V425 T426 K427 K431 A432 M433 A441 L444	V425-V429 PolarHBondContact O-N 2.73Å; T426-V429 PolarHBondContact O-N 3.24Å; K427-V429 VanDerWaalsContact C-N 3.26Å; K427-V429 PolarHBondContact O-N 3Å; V429-K431 PolarHBondContact O-N 3.38Å; V429-A432 PolarHBondContact O-N 3.1Å; V429-M433 HydrophobicContact CG1-CE 4.14Å; V429-M433 HydrophobicContact CG1-SD 4.48Å; V429-M433 WeakPolarHBondContact O-CG 3.35Å; V429-M433 PolarHBondContact O-N 3Å; V429-A441 HydrophobicContact CG1-CB 4.26Å; V429-L444 HydrophobicContact CG2-CB 3.52Å; V429-L444 HydrophobicContact CG2-CD1 4.25Å
430	T	88.1	Confident	88.9	Confident	54 Å²	54	60.5 Å²	60.5	33%	0.331	29%	0.289	S	S	.	.	H	α-helix	trans	-60.4	-47.1	179.4	-54.4	0	0	0	0	110.8	K427 A432 M433 E434	K427-T430 PolarHBondContact O-N 3.32Å; K427-T430 VanDerWaalsContact O-N 3.17Å; T430-A432 VanDerWaalsContact C-N 3.34Å; T430-A432 PolarHBondContact O-N 2.94Å; T430-M433 PolarHBondContact O-N 3.38Å; T430-M433 VanDerWaalsContact O-N 3.13Å; T430-E434 WeakPolarHBondContact O-CG 3.21Å; T430-E434 PolarHBondContact O-N 3.33Å
431	K	91.9	Very high	89.2	Confident	111 Å²	111	56.6 Å²	56.6	48%	0.483	27%	0.27	S	S	.	.	H	α-helix	trans	-58.7	-42.9	175.4	-178.1	178.1	173.4	-179	0	112.4	K427 V429 M433 E434 E435	K427-K431 PolarHBondContact O-N 2.89Å; V429-K431 PolarHBondContact O-N 3.38Å; K431-M433 VanDerWaalsContact C-N 3.32Å; K431-M433 PolarHBondContact O-N 3.17Å; K431-E434 PolarHBondContact O-N 3.42Å; K431-E435 WeakPolarHBondContact CE-OE1 3.36Å; K431-E435 HydrophobicContact CG-CG 4.4Å; K431-E435 IonicContact NZ-OE1 2.7Å; K431-E435 WeakPolarHBondContact O-CB 3.2Å; K431-E435 WeakPolarHBondContact O-CG 3.24Å; K431-E435 PolarHBondContact O-N 2.79Å
432	A	91.5	Very high	89.2	Confident	4 Å²	4	54.7 Å²	54.7	3%	0.033	26%	0.261	C	S	.	.	H	α-helix	trans	-63.6	-36	176.6	0	0	0	0	0	112.3	D428 V429 T430 K436 K437 E440 A441 L444	D428-A432 VanDerWaalsContact O-CB 3.3Å; D428-A432 WeakPolarHBondContact O-CB 3.41Å; D428-A432 PolarHBondContact O-N 2.89Å; V429-A432 PolarHBondContact O-N 3.1Å; T430-A432 VanDerWaalsContact C-N 3.34Å; T430-A432 PolarHBondContact O-N 2.94Å; A432-K436 PolarHBondContact O-N 2.88Å; A432-K437 HydrophobicContact CB-CB 4.35Å; A432-K437 CarbonylContact O-C 3.56Å; A432-K437 WeakPolarHBondContact O-CA 3.44Å; A432-K437 PolarHBondContact O-N 2.99Å; A432-E440 HydrophobicContact CB-CB 4.37Å; A432-E440 HydrophobicContact CB-CG 4.47Å; A432-A441 HydrophobicContact CB-CB 4.17Å; A432-L444 HydrophobicContact CB-CD1 4.31Å
433	M	88.3	Confident	89.2	Confident	18 Å²	18	61.2 Å²	61.2	9%	0.089	29%	0.29	C	S	.	.	H	α-helix	trans	-69.5	-41.8	174	-66.2	-174.5	-59.9	0	0	112.2	H282 P302 E303 V429 T430 K431 K436 A441	H282-M433 HydrophobicContact CB-CE 4.23Å; P302-M433 HydrophobicContact CB-SD 4.14Å; E303-M433 HydrophobicContact CG-SD 4.2Å; V429-M433 HydrophobicContact CG1-CE 4.14Å; V429-M433 HydrophobicContact CG1-SD 4.48Å; V429-M433 WeakPolarHBondContact O-CG 3.35Å; V429-M433 PolarHBondContact O-N 3Å; T430-M433 PolarHBondContact O-N 3.38Å; T430-M433 VanDerWaalsContact O-N 3.13Å; K431-M433 VanDerWaalsContact C-N 3.32Å; K431-M433 PolarHBondContact O-N 3.17Å; M433-K436 PolarHBondContact O-N 2.99Å; M433-K436 VanDerWaalsContact O-N 3.1Å; M433-A441 HydrophobicContact CG-CB 3.68Å
434	E	89.1	Confident	89.3	Confident	148 Å²	148	61.9 Å²	61.9	69%	0.692	29%	0.293	S	S	*	.	H	α-helix	trans	-62.8	-41.1	175.1	-70.8	171.9	177.6	0	0	112.2	T430 K431 K436	T430-E434 WeakPolarHBondContact O-CG 3.21Å; T430-E434 PolarHBondContact O-N 3.33Å; K431-E434 PolarHBondContact O-N 3.42Å; E434-K436 PolarHBondContact O-N 2.9Å
435	E	92.7	Very high	89.2	Confident	92 Å²	92	59.2 Å²	59.2	43%	0.43	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	5.7	174.2	-68.3	-177.7	-177.9	0	0	113.6	K431 K437	K431-E435 WeakPolarHBondContact CE-OE1 3.36Å; K431-E435 HydrophobicContact CG-CG 4.4Å; K431-E435 IonicContact NZ-OE1 2.7Å; K431-E435 WeakPolarHBondContact O-CB 3.2Å; K431-E435 WeakPolarHBondContact O-CG 3.24Å; K431-E435 PolarHBondContact O-N 2.79Å; E435-K437 HydrophobicContact CB-CD 4.25Å; E435-K437 HydrophobicContact CB-CG 4.23Å; E435-K437 PolarHBondContact O-N 3.35Å; E435-K437 VanDerWaalsContact OE2-CE 3.25Å; E435-K437 WeakPolarHBondContact OE2-CE 3.14Å; E435-K437 IonicContact OE2-NZ 3.68Å; E435-K437 PolarHBondContact OE2-NZ 3.34Å
436	K	91.6	Very high	89	Confident	108 Å²	108	59.3 Å²	59.3	47%	0.47	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	21.2	-178.6	-54.6	-176.5	175.9	-168.2	0	115.2	R340 A432 M433 E434 F438	R340-K436 WeakPolarHBondContact O-CD 3.46Å; R340-K436 WeakPolarHBondContact O-CE 3.49Å; R340-K436 PolarHBondContact O-NZ 3.36Å; A432-K436 PolarHBondContact O-N 2.88Å; M433-K436 PolarHBondContact O-N 2.99Å; M433-K436 VanDerWaalsContact O-N 3.1Å; E434-K436 PolarHBondContact O-N 2.9Å; K436-F438 VanDerWaalsContact C-N 3.3Å; K436-F438 HydrophobicContact CB-CE2 3.85Å; K436-F438 HydrophobicContact CB-CZ 4.04Å; K436-F438 HydrophobicContact CG-CE2 4.4Å; K436-F438 HydrophobicContact CG-CZ 4.23Å; K436-F438 VanDerWaalsContact O-CD2 3.32Å; K436-F438 WeakPolarHBondContact O-CD2 3.49Å; K436-F438 PolarHBondContact O-N 3.49Å; K436-F438 VanDerWaalsContact O-N 3.16Å
437	K	91.8	Very high	88.7	Confident	94 Å²	94	64.8 Å²	64.8	41%	0.409	30%	0.303	S	S	.	.			trans	-88	59.5	176.7	-61.8	176.6	-177.4	165.4	0	111.3	A432 E435 D439 E440 A441	A432-K437 HydrophobicContact CB-CB 4.35Å; A432-K437 CarbonylContact O-C 3.56Å; A432-K437 WeakPolarHBondContact O-CA 3.44Å; A432-K437 PolarHBondContact O-N 2.99Å; E435-K437 HydrophobicContact CB-CD 4.25Å; E435-K437 HydrophobicContact CB-CG 4.23Å; E435-K437 PolarHBondContact O-N 3.35Å; E435-K437 VanDerWaalsContact OE2-CE 3.25Å; E435-K437 WeakPolarHBondContact OE2-CE 3.14Å; E435-K437 IonicContact OE2-NZ 3.68Å; E435-K437 PolarHBondContact OE2-NZ 3.34Å; K437-D439 VanDerWaalsContact C-N 3.31Å; K437-D439 PolarHBondContact O-N 3.01Å; K437-E440 HydrophobicContact CB-CB 4.07Å; K437-E440 WeakPolarHBondContact CD-OE2 3.37Å; K437-E440 WeakPolarHBondContact O-CA 3.43Å; K437-E440 WeakPolarHBondContact O-CB 3.44Å; K437-E440 PolarHBondContact O-N 2.65Å; K437-A441 PolarHBondContact O-N 2.83Å; K437-A441 VanDerWaalsContact O-N 3.1Å
438	F	90.5	Very high	88.4	Confident	25 Å²	25	61.8 Å²	61.8	11%	0.11	29%	0.294	C	S	.	.	H	α-helix	trans	-59.5	-36.2	-172.8	-56.3	-63.3	0	0	0	113.9	P305 I338 K436 E440 A441 L442	P305-F438 VanDerWaalsContact CD-CD1 3.46Å; P305-F438 HydrophobicContact CG-CD1 3.73Å; P305-F438 HydrophobicContact CG-CD2 4.26Å; P305-F438 HydrophobicContact CG-CE1 3.52Å; P305-F438 HydrophobicContact CG-CE2 4.06Å; P305-F438 HydrophobicContact CG-CG 4.11Å; P305-F438 HydrophobicContact CG-CZ 3.7Å; I338-F438 HydrophobicContact CD1-CE1 4.3Å; K436-F438 VanDerWaalsContact C-N 3.3Å; K436-F438 HydrophobicContact CB-CE2 3.85Å; K436-F438 HydrophobicContact CB-CZ 4.04Å; K436-F438 HydrophobicContact CG-CE2 4.4Å; K436-F438 HydrophobicContact CG-CZ 4.23Å; K436-F438 VanDerWaalsContact O-CD2 3.32Å; K436-F438 WeakPolarHBondContact O-CD2 3.49Å; K436-F438 PolarHBondContact O-N 3.49Å; K436-F438 VanDerWaalsContact O-N 3.16Å; F438-E440 VanDerWaalsContact C-N 3.26Å; F438-E440 PolarHBondContact O-N 3.04Å; F438-A441 PolarHBondContact O-N 3.27Å; F438-L442 WeakPolarHBondContact O-CG 3.31Å; F438-L442 PolarHBondContact O-N 2.57Å
439	D	89.1	Confident	88.3	Confident	113 Å²	113	59.7 Å²	59.7	60%	0.604	28%	0.283	S	S	*	.	H	α-helix	trans	-65.4	-26.8	174.7	-71	-38	0	0	0	113.5	K437 K443	K437-D439 VanDerWaalsContact C-N 3.31Å; K437-D439 PolarHBondContact O-N 3.01Å; D439-K443 WeakPolarHBondContact O-CD 3.11Å; D439-K443 VanDerWaalsContact O-CG 3.27Å; D439-K443 WeakPolarHBondContact O-CG 3.42Å; D439-K443 PolarHBondContact O-N 3.43Å
440	E	90	Very high	88.3	Confident	94 Å²	94	62 Å²	62	44%	0.439	29%	0.294	S	S	.	.	H	α-helix	trans	-76.8	-44.9	173.1	-170.6	172.5	-178.2	0	0	110.3	A432 K437 F438 L442 K443 L444	A432-E440 HydrophobicContact CB-CB 4.37Å; A432-E440 HydrophobicContact CB-CG 4.47Å; K437-E440 HydrophobicContact CB-CB 4.07Å; K437-E440 WeakPolarHBondContact CD-OE2 3.37Å; K437-E440 WeakPolarHBondContact O-CA 3.43Å; K437-E440 WeakPolarHBondContact O-CB 3.44Å; K437-E440 PolarHBondContact O-N 2.65Å; F438-E440 VanDerWaalsContact C-N 3.26Å; F438-E440 PolarHBondContact O-N 3.04Å; E440-L442 VanDerWaalsContact C-N 3.32Å; E440-L442 PolarHBondContact O-N 3.21Å; E440-K443 WeakPolarHBondContact O-CB 3.44Å; E440-K443 PolarHBondContact O-N 3.47Å; E440-L444 HydrophobicContact CG-CD1 4.16Å; E440-L444 HydrophobicContact CG-CG 4.36Å; E440-L444 VanDerWaalsContact O-CG 3.32Å; E440-L444 WeakPolarHBondContact O-CG 3.43Å; E440-L444 PolarHBondContact O-N 2.93Å
441	A	89.3	Confident	88.3	Confident	0 Å²	0	63 Å²	63	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-55.2	-44.3	174.8	0	0	0	0	0	112.4	V429 A432 M433 K437 F438 K443 L444 R445	V429-A441 HydrophobicContact CG1-CB 4.26Å; A432-A441 HydrophobicContact CB-CB 4.17Å; M433-A441 HydrophobicContact CG-CB 3.68Å; K437-A441 PolarHBondContact O-N 2.83Å; K437-A441 VanDerWaalsContact O-N 3.1Å; F438-A441 PolarHBondContact O-N 3.27Å; A441-K443 PolarHBondContact O-N 3.08Å; A441-L444 PolarHBondContact O-N 3.08Å; A441-R445 WeakPolarHBondContact O-CG 3.38Å; A441-R445 PolarHBondContact O-N 3.21Å
442	L	88.1	Confident	88.2	Confident	9 Å²	9	57.8 Å²	57.8	5%	0.047	28%	0.275	C	S	.	.	H	α-helix	trans	-60.1	-40.9	174.4	-74.2	170.2	0	0	0	113	E303 C304 F438 E440 F449 M450	E303-L442 HydrophobicContact CB-CD2 3.65Å; E303-L442 HydrophobicContact CB-CG 4.16Å; E303-L442 WeakPolarHBondContact O-CG 3.41Å; C304-L442 HydrophobicContact CB-CD1 4.14Å; C304-L442 HydrophobicContact CB-CD2 4.5Å; F438-L442 WeakPolarHBondContact O-CG 3.31Å; F438-L442 PolarHBondContact O-N 2.57Å; E440-L442 VanDerWaalsContact C-N 3.32Å; E440-L442 PolarHBondContact O-N 3.21Å; L442-F449 HydrophobicContact CD2-CD1 3.91Å; L442-F449 HydrophobicContact CD2-CE1 3.58Å; L442-M450 WeakPolarHBondContact O-CG 2.94Å
443	K	88.1	Confident	88.1	Confident	138 Å²	138	58.5 Å²	58.5	60%	0.6	28%	0.277	S	S	*	.	H	α-helix	trans	-68.3	-38.9	176.9	-71.3	165.9	-171.6	169.7	0	111.7	D439 E440 A441 G446 M450	D439-K443 WeakPolarHBondContact O-CD 3.11Å; D439-K443 VanDerWaalsContact O-CG 3.27Å; D439-K443 WeakPolarHBondContact O-CG 3.42Å; D439-K443 PolarHBondContact O-N 3.43Å; E440-K443 WeakPolarHBondContact O-CB 3.44Å; E440-K443 PolarHBondContact O-N 3.47Å; A441-K443 PolarHBondContact O-N 3.08Å; K443-G446 WeakPolarHBondContact O-CA 3.31Å; K443-G446 PolarHBondContact O-N 3.18Å; K443-M450 HydrophobicContact CB-SD 4.32Å; K443-M450 HydrophobicContact CG-SD 3.78Å
444	L	87.1	Confident	88.2	Confident	18 Å²	18	63 Å²	63	9%	0.094	30%	0.298	C	S	.	.	H	α-helix	trans	-67.9	-34.7	178.5	-68.2	174.6	0	0	0	112.6	V425 D428 V429 A432 E440 A441 G446	V425-L444 HydrophobicContact CG1-CD2 4.4Å; D428-L444 HydrophobicContact CB-CD1 4.07Å; V429-L444 HydrophobicContact CG2-CB 3.52Å; V429-L444 HydrophobicContact CG2-CD1 4.25Å; A432-L444 HydrophobicContact CB-CD1 4.31Å; E440-L444 HydrophobicContact CG-CD1 4.16Å; E440-L444 HydrophobicContact CG-CG 4.36Å; E440-L444 VanDerWaalsContact O-CG 3.32Å; E440-L444 WeakPolarHBondContact O-CG 3.43Å; E440-L444 PolarHBondContact O-N 2.93Å; A441-L444 PolarHBondContact O-N 3.08Å; L444-G446 PolarHBondContact O-N 3.45Å
445	R	85.1	Confident	88.1	Confident	37 Å²	37	56.8 Å²	56.8	14%	0.14	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.4	168	-72.1	-67.8	-168.1	-137.3	-6.8	113.6	D239 H282 E303 A441 F449	D239-R445 PolarHBondContact O-NH1 3.03Å; H282-R445 PolarHBondContact O-NH2 3.3Å; E303-R445 HydrophobicContact CG-CG 4.08Å; E303-R445 IonicContact OE1-CZ 3.73Å; E303-R445 IonicContact OE1-NE 2.78Å; E303-R445 PolarHBondContact OE1-NE 3.4Å; E303-R445 IonicContact OE1-NH2 3.28Å; E303-R445 PolarHBondContact OE1-NH2 2.92Å; A441-R445 WeakPolarHBondContact O-CG 3.38Å; A441-R445 PolarHBondContact O-N 3.21Å; R445-F449 HydrophobicContact CB-CB 3.83Å; R445-F449 HydrophobicContact CB-CD1 4.35Å; R445-F449 HydrophobicContact CB-CD2 3.94Å; R445-F449 HydrophobicContact CB-CG 3.79Å; R445-F449 HydrophobicContact CG-CD2 4.12Å; R445-F449 HydrophobicContact CG-CE2 4.34Å; R445-F449 HydrophobicContact CG-CG 4.34Å
446	G	83.3	Confident	88	Confident	20 Å²	20	52.7 Å²	52.7	21%	0.206	25%	0.251	C	S	.	.			trans	92.1	169.3	170.3	0	0	0	0	0	115.6	K443 L444 S448 F449 M450	K443-G446 WeakPolarHBondContact O-CA 3.31Å; K443-G446 PolarHBondContact O-N 3.18Å; L444-G446 PolarHBondContact O-N 3.45Å; G446-S448 VanDerWaalsContact C-N 3.3Å; G446-S448 PolarHBondContact O-N 3.41Å; G446-F449 WeakPolarHBondContact O-CB 3.34Å; G446-F449 PolarHBondContact O-N 3.38Å; G446-F449 VanDerWaalsContact O-N 3.12Å; G446-M450 PolarHBondContact O-N 3.08Å
447	R	81.1	Confident	87.7	Confident	126 Å²	126	51.6 Å²	51.6	48%	0.475	25%	0.246	S	C	.	.	H	α-helix	trans	-60.1	-32.1	-169	-63.2	-168.5	-168.4	142.7	10	114.5	M450 N451 E848	R447-M450 HydrophobicContact CB-CE 4.43Å; R447-M450 HydrophobicContact CG-CE 4.01Å; R447-M450 PolarHBondContact O-N 2.74Å; R447-N451 VanDerWaalsContact O-CB 3.29Å; R447-N451 WeakPolarHBondContact O-CB 3.3Å; R447-N451 PolarHBondContact O-N 2.94Å; R447-N451 PolarHBondContact O-ND2 3.15Å; R447-E848 IonicContact CZ-OE2 2.66Å; R447-E848 IonicContact NH1-OE2 3.66Å; R447-E848 PolarHBondContact NH1-OE2 3.37Å; R447-E848 IonicContact NH2-OE2 3.78Å; R447-E848 PolarHBondContact NH2-OE2 3.41Å
448	S	82.1	Confident	87.4	Confident	37 Å²	37	49.8 Å²	49.8	26%	0.259	24%	0.24	S	C	.	.	H	α-helix	trans	-64.3	-41.9	178.3	-166	0	0	0	0	111.5	G446 N452	G446-S448 VanDerWaalsContact C-N 3.3Å; G446-S448 PolarHBondContact O-N 3.41Å; S448-N452 PolarHBondContact O-N 3.18Å; S448-N452 VanDerWaalsContact O-N 3.14Å; S448-N452 PolarHBondContact O-ND2 2.89Å; S448-N452 PolarHBondContact O-OD1 3.13Å
449	F	88.1	Confident	87	Confident	7 Å²	7	49.3 Å²	49.3	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-65.1	-50.3	175.3	-164.6	-69.6	0	0	0	111	Y285 L288 I301 E303 L442 R445 G446 N451 N452 W453	Y285-F449 AromaticContact CD2-CD2 3.92Å; Y285-F449 HydrophobicContact CD2-CD2 3.92Å; Y285-F449 HydrophobicContact CD2-CE2 4.4Å; L288-F449 HydrophobicContact CD2-CD1 4.04Å; L288-F449 HydrophobicContact CD2-CE1 3.74Å; L288-F449 HydrophobicContact CD2-CE2 4.49Å; L288-F449 HydrophobicContact CD2-CZ 3.98Å; I301-F449 HydrophobicContact CD1-CE1 4.21Å; I301-F449 HydrophobicContact CD1-CZ 4.28Å; E303-F449 HydrophobicContact CB-CE1 4.33Å; E303-F449 HydrophobicContact CB-CZ 4.28Å; E303-F449 HydrophobicContact CG-CZ 4.13Å; L442-F449 HydrophobicContact CD2-CD1 3.91Å; L442-F449 HydrophobicContact CD2-CE1 3.58Å; R445-F449 HydrophobicContact CB-CB 3.83Å; R445-F449 HydrophobicContact CB-CD1 4.35Å; R445-F449 HydrophobicContact CB-CD2 3.94Å; R445-F449 HydrophobicContact CB-CG 3.79Å; R445-F449 HydrophobicContact CG-CD2 4.12Å; R445-F449 HydrophobicContact CG-CE2 4.34Å; R445-F449 HydrophobicContact CG-CG 4.34Å; G446-F449 WeakPolarHBondContact O-CB 3.34Å; G446-F449 PolarHBondContact O-N 3.38Å; G446-F449 VanDerWaalsContact O-N 3.12Å; F449-N451 PolarHBondContact O-N 2.7Å; F449-N452 WeakPolarHBondContact O-CB 3.38Å; F449-N452 PolarHBondContact O-N 3.05Å; F449-N452 VanDerWaalsContact O-N 3.13Å; F449-W453 PolarHBondContact O-N 2.74Å
450	M	88.2	Confident	86.3	Confident	48 Å²	48	44.6 Å²	44.6	24%	0.236	22%	0.215	C	C	.	.	H	α-helix	trans	-57.7	-46.6	178.5	-66.7	-170.1	-68.9	0	0	112.2	L442 K443 G446 R447 N452 W453 E454	L442-M450 WeakPolarHBondContact O-CG 2.94Å; K443-M450 HydrophobicContact CB-SD 4.32Å; K443-M450 HydrophobicContact CG-SD 3.78Å; G446-M450 PolarHBondContact O-N 3.08Å; R447-M450 HydrophobicContact CB-CE 4.43Å; R447-M450 HydrophobicContact CG-CE 4.01Å; R447-M450 PolarHBondContact O-N 2.74Å; M450-N452 VanDerWaalsContact C-N 3.3Å; M450-N452 PolarHBondContact O-N 3.41Å; M450-W453 WeakPolarHBondContact O-CA 3.25Å; M450-W453 WeakPolarHBondContact O-CB 3.36Å; M450-W453 PolarHBondContact O-N 3.14Å; M450-E454 WeakPolarHBondContact O-CG 3.44Å; M450-E454 PolarHBondContact O-N 2.87Å
451	N	86.8	Confident	85.3	Confident	77 Å²	77	42.5 Å²	42.5	41%	0.412	21%	0.206	S	C	.	.	H	α-helix	trans	-60.5	-38	176.9	-71.2	-22.1	0	0	0	112.4	R447 F449 V455	R447-N451 VanDerWaalsContact O-CB 3.29Å; R447-N451 WeakPolarHBondContact O-CB 3.3Å; R447-N451 PolarHBondContact O-N 2.94Å; R447-N451 PolarHBondContact O-ND2 3.15Å; F449-N451 PolarHBondContact O-N 2.7Å; N451-V455 WeakPolarHBondContact O-CB 3.33Å; N451-V455 VanDerWaalsContact O-CG2 3.27Å; N451-V455 WeakPolarHBondContact O-CG2 3.37Å; N451-V455 PolarHBondContact O-N 3.23Å; N451-V455 VanDerWaalsContact O-N 3.13Å
452	N	89.9	Confident	84.2	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.3	-40.8	174.2	-66.2	-8.4	0	0	0	110.8	L288 L292 S448 F449 M450 Y456 K749	L288-N452 HydrophobicContact CD2-CB 3.85Å; L288-N452 HydrophobicContact CG-CB 4.1Å; L292-N452 HydrophobicContact CD1-CB 3.89Å; S448-N452 PolarHBondContact O-N 3.18Å; S448-N452 VanDerWaalsContact O-N 3.14Å; S448-N452 PolarHBondContact O-ND2 2.89Å; S448-N452 PolarHBondContact O-OD1 3.13Å; F449-N452 WeakPolarHBondContact O-CB 3.38Å; F449-N452 PolarHBondContact O-N 3.05Å; F449-N452 VanDerWaalsContact O-N 3.13Å; M450-N452 VanDerWaalsContact C-N 3.3Å; M450-N452 PolarHBondContact O-N 3.41Å; N452-Y456 VanDerWaalsContact O-CB 3.31Å; N452-Y456 WeakPolarHBondContact O-CB 3.26Å; N452-Y456 PolarHBondContact O-N 3.45Å; N452-K749 WeakPolarHBondContact OD1-CD 3.38Å; N452-K749 WeakPolarHBondContact OD1-CE 3.42Å; N452-K749 PolarHBondContact OD1-NZ 3.25Å
453	W	91	Very high	83.3	Confident	20 Å²	20	51.7 Å²	51.7	8%	0.076	25%	0.247	C	C	.	.	H	α-helix	trans	-67.4	-40.9	179.9	-176.4	-134.7	0	0	0	112.9	L288 V299 I301 C304 F449 M450 Y456 K457	L288-W453 HydrophobicContact CD1-CE3 3.86Å; L288-W453 HydrophobicContact CD1-CZ3 4.49Å; L288-W453 HydrophobicContact CD2-CB 4.13Å; V299-W453 HydrophobicContact CG1-CZ3 3.8Å; I301-W453 HydrophobicContact CD1-CD2 4.11Å; I301-W453 HydrophobicContact CD1-CE3 3.78Å; I301-W453 HydrophobicContact CD1-CH2 4.13Å; I301-W453 HydrophobicContact CD1-CZ2 4.41Å; I301-W453 HydrophobicContact CD1-CZ3 3.79Å; I301-W453 HydrophobicContact CG1-CH2 4.41Å; I301-W453 HydrophobicContact CG1-CZ3 4.35Å; C304-W453 HydrophobicContact CB-CH2 4.19Å; C304-W453 HydrophobicContact CB-CZ2 3.37Å; C304-W453 WeakPolarHBondContact SG-CZ2 3.27Å; C304-W453 PolarHBondContact SG-NE1 3.11Å; C304-W453 VanDerWaalsContact SG-NE1 3.43Å; F449-W453 PolarHBondContact O-N 2.74Å; M450-W453 WeakPolarHBondContact O-CA 3.25Å; M450-W453 WeakPolarHBondContact O-CB 3.36Å; M450-W453 PolarHBondContact O-N 3.14Å; W453-Y456 AromaticContact CE3-CD1 3.89Å; W453-Y456 HydrophobicContact CE3-CD1 3.89Å; W453-Y456 HydrophobicContact CE3-CG 4.46Å; W453-Y456 HydrophobicContact CH2-CD1 4.39Å; W453-Y456 AromaticContact CZ3-CD1 3.52Å; W453-Y456 HydrophobicContact CZ3-CD1 3.52Å; W453-Y456 HydrophobicContact CZ3-CE1 4Å; W453-Y456 HydrophobicContact CZ3-CG 4.41Å; W453-Y456 PolarHBondContact O-N 3.34Å; W453-K457 HydrophobicContact CD2-CD 4.44Å; W453-K457 HydrophobicContact CD2-CG 4.38Å; W453-K457 VanDerWaalsContact CE2-CE 3.42Å; W453-K457 HydrophobicContact CZ2-CD 4.31Å; W453-K457 VanDerWaalsContact CZ2-CE 3.47Å; W453-K457 HydrophobicContact CZ2-CG 4.3Å; W453-K457 WeakPolarHBondContact O-CB 3.19Å; W453-K457 WeakPolarHBondContact O-CG 3.25Å; W453-K457 PolarHBondContact O-N 2.79Å
454	E	89.1	Confident	82.1	Confident	111 Å²	111	47 Å²	47	52%	0.519	23%	0.231	S	C	.	.	H	α-helix	trans	-65.2	-47.8	174.7	-72.4	174	-171.4	0	0	112	M450 Y456 K457 L458	M450-E454 WeakPolarHBondContact O-CG 3.44Å; M450-E454 PolarHBondContact O-N 2.87Å; E454-Y456 VanDerWaalsContact C-N 3.29Å; E454-Y456 PolarHBondContact O-N 2.92Å; E454-K457 PolarHBondContact O-N 3.09Å; E454-L458 WeakPolarHBondContact O-CG 3.48Å; E454-L458 PolarHBondContact O-N 3.48Å
455	V	87	Confident	80.9	Confident	19 Å²	19	49.1 Å²	49.1	12%	0.115	25%	0.245	C	C	.	.	H	α-helix	trans	-62.7	-38.4	176.3	171.8	0	0	0	0	110.9	L292 N451 L459 T748 A752	L292-V455 HydrophobicContact CD2-CG1 4.04Å; N451-V455 WeakPolarHBondContact O-CB 3.33Å; N451-V455 VanDerWaalsContact O-CG2 3.27Å; N451-V455 WeakPolarHBondContact O-CG2 3.37Å; N451-V455 PolarHBondContact O-N 3.23Å; N451-V455 VanDerWaalsContact O-N 3.13Å; V455-L459 HydrophobicContact CG1-CD1 3.85Å; V455-L459 WeakPolarHBondContact O-CB 3.28Å; V455-L459 WeakPolarHBondContact O-CG 3.48Å; V455-L459 PolarHBondContact O-N 3.08Å; V455-L459 VanDerWaalsContact O-N 3.08Å; V455-T748 HydrophobicContact CG1-CG2 4.29Å; V455-A752 HydrophobicContact CG1-CB 4.12Å; V455-A752 HydrophobicContact CG2-CB 4.27Å
456	Y	90.3	Very high	79.7	Confident	5 Å²	5	54.9 Å²	54.9	2%	0.02	28%	0.284	C	S	.	.	H	α-helix	trans	-59.9	-55.6	170.9	178.5	-94	0	0	0	110	L288 S291 L292 W298 V299 R317 N452 W453 E454 L458 L459 A460 H461	L288-Y456 HydrophobicContact CD1-CG 4.05Å; S291-Y456 WeakPolarHBondContact OG-CD2 3.44Å; S291-Y456 VanDerWaalsContact OG-CE2 3.29Å; S291-Y456 WeakPolarHBondContact OG-CE2 3.49Å; L292-Y456 HydrophobicContact CD2-CD2 4.35Å; W298-Y456 VanDerWaalsContact C-OH 3.29Å; W298-Y456 VanDerWaalsContact CA-OH 3.25Å; W298-Y456 WeakPolarHBondContact CA-OH 3.44Å; V299-Y456 HydrophobicContact CB-CE1 4.43Å; V299-Y456 HydrophobicContact CB-CE2 4.31Å; V299-Y456 HydrophobicContact CG1-CD1 3.91Å; V299-Y456 HydrophobicContact CG1-CD2 4.4Å; V299-Y456 HydrophobicContact CG1-CE1 3.46Å; V299-Y456 VanDerWaalsContact CG1-CE1 3.46Å; V299-Y456 HydrophobicContact CG1-CE2 4Å; V299-Y456 HydrophobicContact CG1-CG 4.38Å; V299-Y456 PolarHBondContact N-OH 3.03Å; V299-Y456 VanDerWaalsContact N-OH 3.15Å; R317-Y456 PolarHBondContact NH1-OH 2.75Å; N452-Y456 VanDerWaalsContact O-CB 3.31Å; N452-Y456 WeakPolarHBondContact O-CB 3.26Å; N452-Y456 PolarHBondContact O-N 3.45Å; W453-Y456 AromaticContact CE3-CD1 3.89Å; W453-Y456 HydrophobicContact CE3-CD1 3.89Å; W453-Y456 HydrophobicContact CE3-CG 4.46Å; W453-Y456 HydrophobicContact CH2-CD1 4.39Å; W453-Y456 AromaticContact CZ3-CD1 3.52Å; W453-Y456 HydrophobicContact CZ3-CD1 3.52Å; W453-Y456 HydrophobicContact CZ3-CE1 4Å; W453-Y456 HydrophobicContact CZ3-CG 4.41Å; W453-Y456 PolarHBondContact O-N 3.34Å; E454-Y456 VanDerWaalsContact C-N 3.29Å; E454-Y456 PolarHBondContact O-N 2.92Å; Y456-L458 VanDerWaalsContact C-N 3.28Å; Y456-L458 PolarHBondContact O-N 2.96Å; Y456-L459 PolarHBondContact O-N 3.17Å; Y456-L459 VanDerWaalsContact O-N 3.08Å; Y456-A460 HydrophobicContact CD1-CB 3.91Å; Y456-A460 HydrophobicContact CD2-CB 4.21Å; Y456-A460 HydrophobicContact CE1-CB 3.45Å; Y456-A460 VanDerWaalsContact CE1-CB 3.45Å; Y456-A460 HydrophobicContact CE2-CB 3.8Å; Y456-A460 HydrophobicContact CG-CB 4.24Å; Y456-A460 WeakPolarHBondContact O-CB 3.42Å; Y456-A460 PolarHBondContact O-N 3.13Å; Y456-H461 AromaticContact CE1-NE2 3.52Å
457	K	86.9	Confident	78.4	Confident	86 Å²	86	57.5 Å²	57.5	37%	0.374	30%	0.3	S	S	.	.	H	α-helix	trans	-51.1	-45.8	-178.8	-87.5	177.8	163.4	173.1	0	112.7	W453 E454 H461 V462	W453-K457 HydrophobicContact CD2-CD 4.44Å; W453-K457 HydrophobicContact CD2-CG 4.38Å; W453-K457 VanDerWaalsContact CE2-CE 3.42Å; W453-K457 HydrophobicContact CZ2-CD 4.31Å; W453-K457 VanDerWaalsContact CZ2-CE 3.47Å; W453-K457 HydrophobicContact CZ2-CG 4.3Å; W453-K457 WeakPolarHBondContact O-CB 3.19Å; W453-K457 WeakPolarHBondContact O-CG 3.25Å; W453-K457 PolarHBondContact O-N 2.79Å; E454-K457 PolarHBondContact O-N 3.09Å; K457-H461 PolarHBondContact O-N 3.28Å; K457-V462 PolarHBondContact O-N 3.45Å
458	L	84.6	Confident	77.3	Confident	55 Å²	55	59.5 Å²	59.5	29%	0.288	31%	0.311	S	S	.	.	H	α-helix	trans	-60.2	-55.9	175.4	-68.9	171.7	0	0	0	111.9	E454 Y456 A460 V462 I496 I499	E454-L458 WeakPolarHBondContact O-CG 3.48Å; E454-L458 PolarHBondContact O-N 3.48Å; Y456-L458 VanDerWaalsContact C-N 3.28Å; Y456-L458 PolarHBondContact O-N 2.96Å; L458-A460 PolarHBondContact O-N 3.25Å; L458-V462 HydrophobicContact CD2-CG2 4.2Å; L458-I496 HydrophobicContact CB-CD1 3.8Å; L458-I496 HydrophobicContact CD1-CD1 4.41Å; L458-I499 WeakPolarHBondContact O-CD1 3.38Å
459	L	81.4	Confident	75.4	Confident	15 Å²	15	62.9 Å²	62.9	8%	0.079	34%	0.335	C	S	.	.	H	α-helix	trans	-68.6	-19.9	-177.2	-69.2	173.1	0	0	0	114.2	L292 V455 Y456 R495 I496 T748	L292-L459 HydrophobicContact CD2-CD1 4.39Å; V455-L459 HydrophobicContact CG1-CD1 3.85Å; V455-L459 WeakPolarHBondContact O-CB 3.28Å; V455-L459 WeakPolarHBondContact O-CG 3.48Å; V455-L459 PolarHBondContact O-N 3.08Å; V455-L459 VanDerWaalsContact O-N 3.08Å; Y456-L459 PolarHBondContact O-N 3.17Å; Y456-L459 VanDerWaalsContact O-N 3.08Å; L459-R495 HydrophobicContact CD2-CB 3.71Å; L459-I496 HydrophobicContact CD2-CD1 3.69Å; L459-I496 HydrophobicContact CD2-CG1 3.9Å; L459-I496 HydrophobicContact CG-CD1 4.07Å; L459-T748 HydrophobicContact CD1-CG2 3.56Å
460	A	75.3	Confident	73.8	Confident	14 Å²	14	65.5 Å²	65.5	12%	0.116	36%	0.364	C	S	.	.	H	α-helix	trans	-102.7	-56.5	-169.3	0	0	0	0	0	113.4	R317 Y456 L458	R317-A460 VanDerWaalsContact CZ-C 3.49Å; R317-A460 PolarHBondContact NE-O 2.62Å; R317-A460 PolarHBondContact NH2-O 3.21Å; Y456-A460 HydrophobicContact CD1-CB 3.91Å; Y456-A460 HydrophobicContact CD2-CB 4.21Å; Y456-A460 HydrophobicContact CE1-CB 3.45Å; Y456-A460 VanDerWaalsContact CE1-CB 3.45Å; Y456-A460 HydrophobicContact CE2-CB 3.8Å; Y456-A460 HydrophobicContact CG-CB 4.24Å; Y456-A460 WeakPolarHBondContact O-CB 3.42Å; Y456-A460 PolarHBondContact O-N 3.13Å; L458-A460 PolarHBondContact O-N 3.25Å
461	H	68.3	Low	72.9	Confident	51 Å²	51	65.6 Å²	65.6	24%	0.236	37%	0.369	C	S	.	.	H	α-helix	trans	-103.7	-24	-168.6	-58.8	-81.1	0	0	0	113.6	W298 H313 R317 Y456 K457	W298-H461 AromaticContact CE2-CE1 3.95Å; W298-H461 AromaticContact CE3-CE1 3.84Å; W298-H461 AromaticContact CH2-CE1 3.35Å; W298-H461 WeakPolarHBondContact CH2-CE1 3.49Å; W298-H461 AromaticContact CH2-ND1 3.64Å; W298-H461 AromaticContact CZ2-CE1 3.61Å; W298-H461 AromaticContact CZ3-CE1 3.47Å; W298-H461 VanDerWaalsContact CZ3-CE1 3.47Å; W298-H461 WeakPolarHBondContact CZ3-CE1 3.41Å; W298-H461 AromaticContact CZ3-ND1 3.63Å; H313-H461 AromaticContact NE2-ND1 3.93Å; R317-H461 PolarHBondContact NH1-CE1 3.26Å; R317-H461 VanDerWaalsContact NH1-CE1 3.3Å; Y456-H461 AromaticContact CE1-NE2 3.52Å; K457-H461 PolarHBondContact O-N 3.28Å
462	V	67	Low	73	Confident	65 Å²	65	63.4 Å²	63.4	39%	0.394	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-79	129.6	-177.5	-172.1	0	0	0	0	110.4	K457 L458 I499	K457-V462 PolarHBondContact O-N 3.45Å; L458-V462 HydrophobicContact CD2-CG2 4.2Å; V462-I499 HydrophobicContact CB-CG2 4.1Å; V462-I499 HydrophobicContact CG1-CG2 3.58Å
463	R	68.1	Low	73.2	Confident	137 Å²	137	63.7 Å²	63.7	52%	0.517	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-86.8	144.4	177.4	-54.1	-171	-163.6	-176.8	9	110.2	R316 E320	R316-R463 VanDerWaalsContact NH1-NH2 3.16Å; E320-R463 IonicContact OE1-CZ 3.13Å; E320-R463 IonicContact OE1-NH1 2.65Å; E320-R463 IonicContact OE1-NH2 3.45Å
464	P	63.8	Low	73.4	Confident	40 Å²	40	62.8 Å²	62.8	26%	0.26	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-54.5	138.5	160.9	-23.4	34.6	0	0	0	110.7	W524	P464-W524 HydrophobicContact CG-CE3 4.12Å; P464-W524 HydrophobicContact CG-CZ3 4.29Å
465	P	62.3	Low	73.7	Confident	62 Å²	62	57.5 Å²	57.5	40%	0.403	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-63.5	141.8	177.7	25.6	-34	0	0	0	111	S467 I499	P465-S467 VanDerWaalsContact C-N 3.33Å; P465-I499 VanDerWaalsContact CD-O 3.26Å; P465-I499 WeakPolarHBondContact CD-O 3.28Å
466	V	59.7	Low	74.3	Confident	158 Å²	158	56.6 Å²	56.6	96%	0.958	33%	0.325	S	S	*	.	S	Bend	trans	-73.5	-28.2	-178.2	-175.4	0	0	0	0	111.5
467	S	55.6	Low	74.6	Confident	75 Å²	75	56.4 Å²	56.4	52%	0.524	32%	0.324	S	S	.	.	S	Bend	trans	-99.4	133.3	175.8	52.4	0	0	0	0	111.9	P465 S469	P465-S467 VanDerWaalsContact C-N 3.33Å; S467-S469 PolarHBondContact O-N 3.01Å; S467-S469 VanDerWaalsContact O-N 3.07Å
468	K	56.9	Low	75.1	Confident	167 Å²	167	52.3 Å²	52.3	73%	0.726	31%	0.306	S	S	*	.			trans	-77.9	25.1	175.3	-62.9	-172.2	175.4	-170.8	0	113.7	G470 S471	K468-G470 PolarHBondContact O-N 2.96Å; K468-S471 PolarHBondContact O-N 3.32Å
469	S	42.5	Very low	75.7	Confident	109 Å²	109	49.7 Å²	49.7	76%	0.762	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	99.3	-172.1	-60.5	0	0	0	0	110.8	S467	S467-S469 PolarHBondContact O-N 3.01Å; S467-S469 VanDerWaalsContact O-N 3.07Å
470	G	55.5	Low	76.4	Confident	62 Å²	62	49 Å²	49	64%	0.639	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.1	19.8	-179.2	0	0	0	0	0	115.4	K468 H472	K468-G470 PolarHBondContact O-N 2.96Å; G470-H472 PolarHBondContact O-N 3.26Å
471	S	69.9	Low	77.3	Confident	49 Å²	49	49.6 Å²	49.6	34%	0.343	30%	0.295	S	S	.	.			trans	-66.8	111.6	-176.7	66.3	0	0	0	0	113.2	K468 G501	K468-S471 PolarHBondContact O-N 3.32Å; S471-G501 WeakPolarHBondContact CA-O 3.39Å; S471-G501 WeakPolarHBondContact CB-O 3.2Å
472	H	87.9	Confident	78.5	Confident	31 Å²	31	49.1 Å²	49.1	14%	0.144	30%	0.296	C	S	.	.			trans	-80.5	153.1	165.2	-61.9	-70.7	0	0	0	110.8	G470 N502 R503 Q562 I762	G470-H472 PolarHBondContact O-N 3.26Å; H472-N502 WeakPolarHBondContact CB-OD1 3.29Å; H472-N502 PolarHBondContact N-OD1 2.97Å; H472-N502 CarbonylContact O-C 3.53Å; H472-N502 VanDerWaalsContact O-CA 3.32Å; H472-N502 WeakPolarHBondContact O-CA 3.18Å; H472-N502 WeakPolarHBondContact O-CB 3.37Å; H472-R503 PolarHBondContact O-N 2.59Å; H472-Q562 PolarHBondContact ND1-OE1 3.1Å; H472-I762 HydrophobicContact CB-CD1 4.32Å; H472-I762 HydrophobicContact CB-CG2 4.08Å; H472-I762 VanDerWaalsContact CE1-CG2 3.47Å; H472-I762 WeakPolarHBondContact CE1-CG2 3.13Å; H472-I762 VanDerWaalsContact CG-CG2 3.43Å; H472-I762 WeakPolarHBondContact ND1-CG2 3.5Å
473	T	93.1	Very high	79.9	Confident	7 Å²	7	46.1 Å²	46.1	4%	0.043	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	114.8	176.6	-45.1	0	0	0	0	110.9	R503 L505 N560 Q562 G563	T473-R503 CarbonylContact C-O 3.58Å; T473-R503 VanDerWaalsContact CA-O 3.28Å; T473-R503 WeakPolarHBondContact CA-O 3.21Å; T473-R503 HydrophobicContact CG2-CG 4.46Å; T473-L505 HydrophobicContact CG2-CD1 3.48Å; T473-L505 VanDerWaalsContact CG2-CD1 3.48Å; T473-L505 HydrophobicContact CG2-CG 3.75Å; T473-N560 WeakPolarHBondContact CB-O 3.42Å; T473-N560 PolarHBondContact OG1-O 3.01Å; T473-Q562 WeakPolarHBondContact O-CA 3.04Å; T473-Q562 VanDerWaalsContact O-CB 3.29Å; T473-Q562 WeakPolarHBondContact O-CB 3.41Å; T473-Q562 PolarHBondContact O-N 3.3Å; T473-G563 PolarHBondContact O-N 2.88Å
474	V	95.4	Very high	81.1	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.7	177	-176.8	0	0	0	0	109.9	R503 V504 L505 G563 V565 M755 M758 I762	V474-R503 PolarHBondContact N-O 3.05Å; V474-V504 WeakPolarHBondContact O-CA 3.37Å; V474-L505 PolarHBondContact O-N 3.02Å; V474-G563 WeakPolarHBondContact CA-O 3.33Å; V474-V565 HydrophobicContact CG1-CG2 4.08Å; V474-M755 HydrophobicContact CB-CE 4.03Å; V474-M755 HydrophobicContact CG1-CE 3.95Å; V474-M755 HydrophobicContact CG1-SD 3.83Å; V474-M755 HydrophobicContact CG2-CE 4.03Å; V474-M758 HydrophobicContact CG1-CG 4.05Å; V474-M758 HydrophobicContact CG2-CG 4.07Å; V474-I762 HydrophobicContact CG2-CD1 3.77Å
475	A	97	Very high	82.5	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	141.6	174.8	0	0	0	0	0	111	L505 V507 I561 G563 L564 V565	A475-L505 CarbonylContact C-O 3.6Å; A475-L505 VanDerWaalsContact CA-O 3.3Å; A475-L505 WeakPolarHBondContact CA-O 3.45Å; A475-L505 HydrophobicContact CB-CB 4.41Å; A475-V507 HydrophobicContact CB-CG2 4.12Å; A475-I561 HydrophobicContact CB-CD1 4Å; A475-I561 HydrophobicContact CB-CG1 4.32Å; A475-I561 HydrophobicContact CB-CG2 3.74Å; A475-G563 PolarHBondContact N-O 3.45Å; A475-L564 HydrophobicContact CB-CD1 3.84Å; A475-L564 CarbonylContact O-C 3.56Å; A475-L564 WeakPolarHBondContact O-CA 3.31Å; A475-V565 PolarHBondContact O-N 3.18Å
476	V	97.7	Very high	84.2	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	138.5	171.5	63.9	0	0	0	0	111.3	V490 T493 V494 V504 L505 V506 V507 V565 I567	V476-V490 HydrophobicContact CG1-CG1 4.22Å; V476-V490 HydrophobicContact CG2-CG2 4.28Å; V476-T493 HydrophobicContact CB-CG2 4.01Å; V476-T493 HydrophobicContact CG2-CG2 3.94Å; V476-V494 HydrophobicContact CG1-CG2 4.13Å; V476-V504 HydrophobicContact CG1-CG1 4.45Å; V476-L505 PolarHBondContact N-O 3.1Å; V476-V506 HydrophobicContact CG1-CB 4.42Å; V476-V506 HydrophobicContact CG1-CG1 3.64Å; V476-V506 WeakPolarHBondContact O-CA 3.36Å; V476-V507 PolarHBondContact O-N 3.18Å; V476-V565 VanDerWaalsContact CA-O 3.31Å; V476-V565 WeakPolarHBondContact CA-O 3.49Å; V476-V565 HydrophobicContact CB-CB 4.23Å; V476-V565 HydrophobicContact CG2-CB 4.05Å; V476-V565 HydrophobicContact CG2-CG1 4.1Å; V476-I567 HydrophobicContact CG2-CD1 3.71Å
477	M	97.4	Very high	85.9	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	156.2	-178.6	71.9	179.8	166.9	0	0	113.3	V479 V507 F511 L514 L564 V565 I566 I567	M477-V479 HydrophobicContact CE-CG2 4.48Å; M477-V479 HydrophobicContact CG-CG2 4.25Å; M477-V479 HydrophobicContact SD-CG2 4.37Å; M477-V507 HydrophobicContact CB-CB 3.79Å; M477-V507 HydrophobicContact CB-CG2 4.15Å; M477-F511 HydrophobicContact CE-CD1 3.62Å; M477-F511 HydrophobicContact CE-CE1 3.28Å; M477-F511 HydrophobicContact CE-CE2 4.33Å; M477-F511 HydrophobicContact CE-CG 4.31Å; M477-F511 HydrophobicContact CE-CZ 3.69Å; M477-F511 HydrophobicContact SD-CD1 4.33Å; M477-L514 HydrophobicContact CE-CD2 4.35Å; M477-L514 HydrophobicContact SD-CD2 4.28Å; M477-L564 HydrophobicContact CE-CD1 3.96Å; M477-L564 HydrophobicContact CE-CD2 3.79Å; M477-L564 HydrophobicContact CE-CG 4.1Å; M477-L564 HydrophobicContact SD-CD1 4.42Å; M477-V565 PolarHBondContact N-O 3.22Å; M477-I566 HydrophobicContact CE-CB 4.48Å; M477-I566 HydrophobicContact CE-CD1 3.85Å; M477-I566 HydrophobicContact CE-CG1 3.81Å; M477-I566 HydrophobicContact CE-CG2 4.05Å; M477-I566 HydrophobicContact CG-CG2 4.32Å; M477-I567 PolarHBondContact O-N 2.83Å
478	N	97.9	Very high	87.8	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134.9	177.1	-65.1	-11	0	0	0	110.8	M486 V490 G510 S536 I567	N478-M486 HydrophobicContact CB-SD 4.48Å; N478-V490 WeakPolarHBondContact OD1-CG2 3.36Å; N478-G510 VanDerWaalsContact O-CA 3.3Å; N478-G510 WeakPolarHBondContact O-CA 3.47Å; N478-S536 PolarHBondContact ND2-OG 3.12Å; N478-I567 CarbonylContact C-O 3.56Å; N478-I567 VanDerWaalsContact CA-O 3.26Å; N478-I567 WeakPolarHBondContact CA-O 3.17Å; N478-I567 WeakPolarHBondContact OD1-CB 3.44Å
479	V	97.4	Very high	89.7	Confident	0 Å²	0	15.7 Å²	15.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	140.4	-175.9	179.4	0	0	0	0	111.4	M477 F511 T540 I566 I567 G568 G569 E571 A572	M477-V479 HydrophobicContact CE-CG2 4.48Å; M477-V479 HydrophobicContact CG-CG2 4.25Å; M477-V479 HydrophobicContact SD-CG2 4.37Å; V479-F511 HydrophobicContact CB-CE2 4.48Å; V479-F511 HydrophobicContact CG1-CD2 3.96Å; V479-F511 HydrophobicContact CG1-CE2 3.93Å; V479-F511 HydrophobicContact CG2-CD2 3.83Å; V479-F511 HydrophobicContact CG2-CE2 3.84Å; V479-T540 VanDerWaalsContact C-OG1 3.28Å; V479-T540 WeakPolarHBondContact CA-OG1 3.44Å; V479-T540 PolarHBondContact N-OG1 3.07Å; V479-I566 HydrophobicContact CB-CG2 4.17Å; V479-I566 HydrophobicContact CG2-CG2 3.72Å; V479-I567 PolarHBondContact N-O 3.13Å; V479-G568 WeakPolarHBondContact O-CA 3.32Å; V479-G569 PolarHBondContact O-N 3.39Å; V479-E571 HydrophobicContact CG1-CB 3.97Å; V479-A572 HydrophobicContact CB-CB 4.01Å; V479-A572 HydrophobicContact CG1-CB 4.27Å
480	G	95.1	Very high	92.3	Very high	2 Å²	2	10.5 Å²	10.5	2%	0.021	8%	0.081	C	C	.	.	S	Bend	trans	96.9	-153	-178.6	0	0	0	0	0	113.1	T540 K541	G480-T540 PolarHBondContact N-OG1 3.34Å; G480-T540 WeakPolarHBondContact O-CG2 3.4Å; G480-T540 PolarHBondContact O-OG1 3.28Å; G480-K541 PolarHBondContact N-O 3.26Å
481	A	94.1	Very high	94.2	Very high	26 Å²	26	8 Å²	8	22%	0.215	5%	0.052	C	C	.	.	S	Bend	trans	-78.8	147.3	174.6	0	0	0	0	0	111.2	M486	A481-M486 VanDerWaalsContact O-CE 3.23Å; A481-M486 WeakPolarHBondContact O-CE 3.41Å
482	P	94.7	Very high	95.4	Very high	41 Å²	41	5.6 Å²	5.6	27%	0.266	4%	0.035	S	C	.	.			trans	-63.8	139.2	176.7	27.2	-34.2	0	0	0	111.3	T540	P482-T540 HydrophobicContact CB-CG2 4.01Å; P482-T540 HydrophobicContact CG-CG2 4.47Å
483	A	94.7	Very high	95.7	Very high	1 Å²	1	4.1 Å²	4.1	1%	0.008	3%	0.028	C	C	.	.			trans	-133.5	138.6	176.2	0	0	0	0	0	109.7	G485 M486 V611	A483-G485 PolarHBondContact O-N 3.02Å; A483-M486 HydrophobicContact CB-CE 4.09Å; A483-M486 HydrophobicContact CB-CG 4.31Å; A483-M486 HydrophobicContact CB-SD 4.41Å; A483-M486 PolarHBondContact N-SD 3.4Å; A483-M486 VanDerWaalsContact N-SD 3.45Å; A483-M486 VanDerWaalsContact O-CG 3.3Å; A483-M486 WeakPolarHBondContact O-CG 3.35Å; A483-M486 PolarHBondContact O-N 3.14Å; A483-V611 WeakPolarHBondContact CB-O 3.36Å
484	A	93.8	Very high	95.8	Very high	1 Å²	1	3.8 Å²	3.8	1%	0.008	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	130.7	178.5	0	0	0	0	0	110.3	V611 G612 T615 P739	A484-V611 WeakPolarHBondContact O-CG1 3.45Å; A484-G612 WeakPolarHBondContact O-CA 3.46Å; A484-G612 PolarHBondContact O-N 3.12Å; A484-T615 HydrophobicContact CB-CG2 3.67Å; A484-P739 HydrophobicContact CB-CB 3.89Å
485	G	94.4	Very high	95.6	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.3	-13.5	-175.8	0	0	0	0	0	115	A483 N487 A488 A489 V611 A747	A483-G485 PolarHBondContact O-N 3.02Å; G485-N487 PolarHBondContact O-N 3.42Å; G485-A488 WeakPolarHBondContact O-CB 3.48Å; G485-A488 PolarHBondContact O-N 3.49Å; G485-A489 PolarHBondContact O-N 3.42Å; G485-A489 VanDerWaalsContact O-N 3.09Å; G485-V611 VanDerWaalsContact C-CG1 3.48Å; G485-A747 VanDerWaalsContact O-CB 3.3Å; G485-A747 WeakPolarHBondContact O-CB 3.48Å
486	M	96.5	Very high	95.4	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-51.1	-44.2	171.3	-76	-179.6	162.9	0	0	112	N478 A481 A483 A488 A489 V490 I567 A598	N478-M486 HydrophobicContact CB-SD 4.48Å; A481-M486 VanDerWaalsContact O-CE 3.23Å; A481-M486 WeakPolarHBondContact O-CE 3.41Å; A483-M486 HydrophobicContact CB-CE 4.09Å; A483-M486 HydrophobicContact CB-CG 4.31Å; A483-M486 HydrophobicContact CB-SD 4.41Å; A483-M486 PolarHBondContact N-SD 3.4Å; A483-M486 VanDerWaalsContact N-SD 3.45Å; A483-M486 VanDerWaalsContact O-CG 3.3Å; A483-M486 WeakPolarHBondContact O-CG 3.35Å; A483-M486 PolarHBondContact O-N 3.14Å; M486-A488 VanDerWaalsContact C-N 3.3Å; M486-A488 PolarHBondContact O-N 3.24Å; M486-A489 PolarHBondContact O-N 3.34Å; M486-V490 WeakPolarHBondContact O-CG2 3.42Å; M486-V490 PolarHBondContact O-N 3.39Å; M486-I567 HydrophobicContact CB-CG2 4.36Å; M486-I567 HydrophobicContact CG-CG2 4.02Å; M486-A598 HydrophobicContact CE-CB 3.77Å; M486-A598 HydrophobicContact CG-CB 3.89Å
487	N	96.5	Very high	95.1	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-64.2	-31.2	178.1	-59.1	-38.6	0	0	0	113.3	G485 R491 W530 Q533 G534 G535 K537	G485-N487 PolarHBondContact O-N 3.42Å; N487-R491 VanDerWaalsContact O-CB 3.29Å; N487-R491 WeakPolarHBondContact O-CB 3.48Å; N487-R491 PolarHBondContact O-N 3.35Å; N487-W530 HydrophobicContact CB-CB 4.21Å; N487-W530 HydrophobicContact CB-CE3 4.2Å; N487-W530 WeakPolarHBondContact CB-O 3.3Å; N487-Q533 PolarHBondContact ND2-O 3.1Å; N487-G534 PolarHBondContact ND2-O 2.93Å; N487-G535 PolarHBondContact ND2-O 3.22Å; N487-G535 VanDerWaalsContact ND2-O 3.1Å; N487-K537 PolarHBondContact OD1-N 3.4Å
488	A	95.8	Very high	94.8	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-72.4	-38.9	175.7	0	0	0	0	0	111.6	G485 M486 R491 S492 T531 A747	G485-A488 WeakPolarHBondContact O-CB 3.48Å; G485-A488 PolarHBondContact O-N 3.49Å; M486-A488 VanDerWaalsContact C-N 3.3Å; M486-A488 PolarHBondContact O-N 3.24Å; A488-R491 PolarHBondContact O-N 3.19Å; A488-S492 WeakPolarHBondContact O-CB 3.4Å; A488-S492 PolarHBondContact O-N 3.35Å; A488-T531 HydrophobicContact CB-CG2 3.97Å; A488-A747 HydrophobicContact CB-CB 3.94Å
489	A	96.6	Very high	94.3	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-61.7	-51.8	171.1	0	0	0	0	0	111.1	G485 M486 R491 S492 T493 I567 A747	G485-A489 PolarHBondContact O-N 3.42Å; G485-A489 VanDerWaalsContact O-N 3.09Å; M486-A489 PolarHBondContact O-N 3.34Å; A489-R491 VanDerWaalsContact C-N 3.33Å; A489-R491 PolarHBondContact O-N 2.93Å; A489-S492 PolarHBondContact O-N 2.7Å; A489-S492 VanDerWaalsContact O-N 3.16Å; A489-T493 WeakPolarHBondContact O-CB 3.44Å; A489-T493 PolarHBondContact O-N 3.26Å; A489-T493 PolarHBondContact O-OG1 3.07Å; A489-I567 HydrophobicContact CB-CD1 3.75Å; A489-I567 HydrophobicContact CB-CG1 4.24Å; A489-I567 HydrophobicContact CB-CG2 4.26Å; A489-A747 WeakPolarHBondContact CA-O 3.2Å; A489-A747 HydrophobicContact CB-CB 4.03Å
490	V	97.1	Very high	93.8	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-54.1	-48.4	175.6	175.2	0	0	0	0	111.1	V476 N478 M486 S492 T493 V494 V527 W530 L538 I567	V476-V490 HydrophobicContact CG1-CG1 4.22Å; V476-V490 HydrophobicContact CG2-CG2 4.28Å; N478-V490 WeakPolarHBondContact OD1-CG2 3.36Å; M486-V490 WeakPolarHBondContact O-CG2 3.42Å; M486-V490 PolarHBondContact O-N 3.39Å; V490-S492 VanDerWaalsContact C-N 3.33Å; V490-S492 PolarHBondContact O-N 2.95Å; V490-T493 PolarHBondContact O-N 3.36Å; V490-V494 HydrophobicContact CG1-CG2 4.18Å; V490-V494 WeakPolarHBondContact O-CG2 3.08Å; V490-V494 PolarHBondContact O-N 2.8Å; V490-V527 HydrophobicContact CG1-CG1 4.4Å; V490-W530 HydrophobicContact CB-CE3 4.46Å; V490-W530 HydrophobicContact CB-CZ3 4.36Å; V490-W530 HydrophobicContact CG1-CE3 4.22Å; V490-W530 HydrophobicContact CG1-CZ3 3.79Å; V490-L538 HydrophobicContact CG1-CD1 4.07Å; V490-L538 HydrophobicContact CG2-CD1 3.92Å; V490-I567 HydrophobicContact CB-CD1 4.38Å; V490-I567 HydrophobicContact CG2-CD1 3.54Å
491	R	95.3	Very high	93.4	Very high	8 Å²	8	11.9 Å²	11.9	3%	0.03	7%	0.069	C	C	.	.	H	α-helix	trans	-57	-44.9	178.5	175	-177.8	170.6	-82.5	6.5	112.6	N487 A488 A489 R495 V527 W530 T531	N487-R491 VanDerWaalsContact O-CB 3.29Å; N487-R491 WeakPolarHBondContact O-CB 3.48Å; N487-R491 PolarHBondContact O-N 3.35Å; A488-R491 PolarHBondContact O-N 3.19Å; A489-R491 VanDerWaalsContact C-N 3.33Å; A489-R491 PolarHBondContact O-N 2.93Å; R491-R495 WeakPolarHBondContact O-CB 3.3Å; R491-R495 WeakPolarHBondContact O-CG 3.41Å; R491-R495 PolarHBondContact O-N 3.48Å; R491-V527 HydrophobicContact CB-CB 3.96Å; R491-V527 HydrophobicContact CB-CG2 4.3Å; R491-V527 WeakPolarHBondContact CD-O 3.31Å; R491-V527 HydrophobicContact CG-CB 3.97Å; R491-V527 HydrophobicContact CG-CG2 3.9Å; R491-W530 HydrophobicContact CB-CB 4.27Å; R491-T531 WeakPolarHBondContact CD-OG1 3.5Å; R491-T531 PolarHBondContact NE-OG1 2.87Å
492	S	94.7	Very high	93.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-67.2	-46.8	-179.3	-165	0	0	0	0	111.1	A488 A489 V490 V494 R495 I496 T748 A752	A488-S492 WeakPolarHBondContact O-CB 3.4Å; A488-S492 PolarHBondContact O-N 3.35Å; A489-S492 PolarHBondContact O-N 2.7Å; A489-S492 VanDerWaalsContact O-N 3.16Å; V490-S492 VanDerWaalsContact C-N 3.33Å; V490-S492 PolarHBondContact O-N 2.95Å; S492-V494 PolarHBondContact O-N 3.28Å; S492-R495 PolarHBondContact O-N 3.41Å; S492-I496 WeakPolarHBondContact O-CB 3.44Å; S492-I496 WeakPolarHBondContact O-CG1 3.3Å; S492-I496 PolarHBondContact O-N 2.97Å; S492-T748 VanDerWaalsContact CB-O 3.28Å; S492-T748 WeakPolarHBondContact CB-O 3.26Å; S492-T748 PolarHBondContact OG-O 2.78Å; S492-A752 PolarHBondContact OG-N 2.76Å
493	T	95.4	Very high	93.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-53.6	-51.8	174.1	-60	0	0	0	0	111.6	V476 A489 V490 G497 V565 G751 M755	V476-T493 HydrophobicContact CB-CG2 4.01Å; V476-T493 HydrophobicContact CG2-CG2 3.94Å; A489-T493 WeakPolarHBondContact O-CB 3.44Å; A489-T493 PolarHBondContact O-N 3.26Å; A489-T493 PolarHBondContact O-OG1 3.07Å; V490-T493 PolarHBondContact O-N 3.36Å; T493-G497 PolarHBondContact O-N 2.92Å; T493-V565 HydrophobicContact CG2-CB 4.08Å; T493-V565 HydrophobicContact CG2-CG1 3.99Å; T493-V565 HydrophobicContact CG2-CG2 3.98Å; T493-G751 VanDerWaalsContact OG1-CA 3.31Å; T493-G751 WeakPolarHBondContact OG1-CA 3.49Å; T493-M755 HydrophobicContact CG2-CG 3.56Å; T493-M755 HydrophobicContact CG2-SD 3.5Å; T493-M755 WeakPolarHBondContact CG2-SD 3.01Å; T493-M755 WeakPolarHBondContact O-CG 3.18Å
494	V	94.6	Very high	93	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61.3	-48.8	178.8	172.4	0	0	0	0	111.6	V476 V490 S492 G497 L498 V504 V506 A522 V527	V476-V494 HydrophobicContact CG1-CG2 4.13Å; V490-V494 HydrophobicContact CG1-CG2 4.18Å; V490-V494 WeakPolarHBondContact O-CG2 3.08Å; V490-V494 PolarHBondContact O-N 2.8Å; S492-V494 PolarHBondContact O-N 3.28Å; V494-G497 PolarHBondContact O-N 2.73Å; V494-L498 HydrophobicContact CG1-CD1 3.85Å; V494-L498 HydrophobicContact CG1-CG 4.42Å; V494-L498 VanDerWaalsContact O-CG 3.29Å; V494-L498 WeakPolarHBondContact O-CG 3.19Å; V494-L498 PolarHBondContact O-N 3.19Å; V494-V504 HydrophobicContact CB-CG1 4.4Å; V494-V504 HydrophobicContact CG2-CG1 3.88Å; V494-V506 HydrophobicContact CG2-CG1 4.18Å; V494-A522 HydrophobicContact CG1-CB 3.9Å; V494-A522 HydrophobicContact CG2-CB 4.09Å; V494-V527 HydrophobicContact CB-CG1 3.92Å; V494-V527 HydrophobicContact CB-CG2 4.19Å; V494-V527 HydrophobicContact CG1-CG1 4.05Å; V494-V527 HydrophobicContact CG1-CG2 4.02Å; V494-V527 HydrophobicContact CG2-CG1 3.88Å
495	R	91.8	Very high	93.2	Very high	31 Å²	31	13.4 Å²	13.4	12%	0.117	6%	0.064	C	C	.	.	H	α-helix	trans	-64.3	-44.7	-177.6	-75.5	-173.9	174.8	-150.4	-2	112.9	L459 R491 S492 L498 I499 W524 V527	L459-R495 HydrophobicContact CD2-CB 3.71Å; R491-R495 WeakPolarHBondContact O-CB 3.3Å; R491-R495 WeakPolarHBondContact O-CG 3.41Å; R491-R495 PolarHBondContact O-N 3.48Å; S492-R495 PolarHBondContact O-N 3.41Å; R495-L498 PolarHBondContact O-N 2.82Å; R495-I499 WeakPolarHBondContact O-CB 3.42Å; R495-I499 WeakPolarHBondContact O-CD1 3.44Å; R495-I499 VanDerWaalsContact O-CG1 3.29Å; R495-I499 WeakPolarHBondContact O-CG1 3.14Å; R495-I499 PolarHBondContact O-N 2.79Å; R495-W524 HydrophobicContact CB-CE3 4.49Å; R495-W524 HydrophobicContact CB-CZ3 4.04Å; R495-W524 HydrophobicContact CG-CE3 4.06Å; R495-W524 HydrophobicContact CG-CH2 4.31Å; R495-W524 HydrophobicContact CG-CZ3 3.95Å; R495-V527 HydrophobicContact CG-CG2 4.09Å
496	I	91.8	Very high	93.3	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.01	6%	0.064	C	C	.	.	H	α-helix	trans	-66.8	-38.5	178.5	-64.5	-60.4	0	0	0	111.1	L458 L459 S492 I499 Q500 A752 M755 N756	L458-I496 HydrophobicContact CB-CD1 3.8Å; L458-I496 HydrophobicContact CD1-CD1 4.41Å; L459-I496 HydrophobicContact CD2-CD1 3.69Å; L459-I496 HydrophobicContact CD2-CG1 3.9Å; L459-I496 HydrophobicContact CG-CD1 4.07Å; S492-I496 WeakPolarHBondContact O-CB 3.44Å; S492-I496 WeakPolarHBondContact O-CG1 3.3Å; S492-I496 PolarHBondContact O-N 2.97Å; I496-I499 HydrophobicContact CD1-CD1 4.24Å; I496-I499 PolarHBondContact O-N 3.2Å; I496-Q500 WeakPolarHBondContact O-CG 3.41Å; I496-Q500 PolarHBondContact O-N 3.25Å; I496-A752 HydrophobicContact CG1-CB 3.93Å; I496-M755 HydrophobicContact CB-CB 4.16Å; I496-M755 HydrophobicContact CG2-CB 3.72Å; I496-N756 WeakPolarHBondContact CG2-OD1 3.2Å
497	G	91.4	Very high	93.3	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-58.6	-48.4	172.6	0	0	0	0	0	112.9	T493 V494 I499 Q500 G501 N502	T493-G497 PolarHBondContact O-N 2.92Å; V494-G497 PolarHBondContact O-N 2.73Å; G497-I499 PolarHBondContact O-N 2.82Å; G497-Q500 PolarHBondContact O-N 3.32Å; G497-Q500 VanDerWaalsContact O-N 3.15Å; G497-G501 PolarHBondContact O-N 3.28Å; G497-N502 WeakPolarHBondContact O-CB 3.46Å; G497-N502 PolarHBondContact O-N 3.45Å
498	L	90.4	Very high	93.4	Very high	34 Å²	34	15.7 Å²	15.7	18%	0.178	8%	0.075	C	C	.	.	H	α-helix	trans	-63.8	-37.8	176.7	-66.8	171.4	0	0	0	112.5	V494 R495 Q500 G501 V504 W524	V494-L498 HydrophobicContact CG1-CD1 3.85Å; V494-L498 HydrophobicContact CG1-CG 4.42Å; V494-L498 VanDerWaalsContact O-CG 3.29Å; V494-L498 WeakPolarHBondContact O-CG 3.19Å; V494-L498 PolarHBondContact O-N 3.19Å; R495-L498 PolarHBondContact O-N 2.82Å; L498-Q500 VanDerWaalsContact C-N 3.27Å; L498-Q500 PolarHBondContact O-N 3.39Å; L498-G501 PolarHBondContact O-N 3.35Å; L498-G501 VanDerWaalsContact O-N 3.11Å; L498-V504 HydrophobicContact CD2-CG2 4.46Å; L498-V504 HydrophobicContact CG-CG2 4.33Å; L498-W524 HydrophobicContact CD1-CB 4.31Å
499	I	88.4	Confident	93.3	Very high	19 Å²	19	17.8 Å²	17.8	10%	0.097	9%	0.086	C	C	.	.	H	α-helix	trans	-62.9	-34.1	174.1	-75.8	158.9	0	0	0	111.7	L458 V462 P465 R495 I496 G497 G501 W524	L458-I499 WeakPolarHBondContact O-CD1 3.38Å; V462-I499 HydrophobicContact CB-CG2 4.1Å; V462-I499 HydrophobicContact CG1-CG2 3.58Å; P465-I499 VanDerWaalsContact CD-O 3.26Å; P465-I499 WeakPolarHBondContact CD-O 3.28Å; R495-I499 WeakPolarHBondContact O-CB 3.42Å; R495-I499 WeakPolarHBondContact O-CD1 3.44Å; R495-I499 VanDerWaalsContact O-CG1 3.29Å; R495-I499 WeakPolarHBondContact O-CG1 3.14Å; R495-I499 PolarHBondContact O-N 2.79Å; I496-I499 HydrophobicContact CD1-CD1 4.24Å; I496-I499 PolarHBondContact O-N 3.2Å; G497-I499 PolarHBondContact O-N 2.82Å; I499-G501 PolarHBondContact O-N 2.92Å; I499-W524 HydrophobicContact CD1-CH2 4.24Å; I499-W524 HydrophobicContact CD1-CZ3 3.97Å; I499-W524 HydrophobicContact CG1-CZ3 4.03Å
500	Q	87.3	Confident	93.3	Very high	67 Å²	67	17.8 Å²	17.8	31%	0.313	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-0.8	176.1	-69.6	169	-5.8	0	0	113.5	I496 G497 L498 N502 N756 S759	I496-Q500 WeakPolarHBondContact O-CG 3.41Å; I496-Q500 PolarHBondContact O-N 3.25Å; G497-Q500 PolarHBondContact O-N 3.32Å; G497-Q500 VanDerWaalsContact O-N 3.15Å; L498-Q500 VanDerWaalsContact C-N 3.27Å; L498-Q500 PolarHBondContact O-N 3.39Å; Q500-N502 VanDerWaalsContact C-N 3.31Å; Q500-N756 PolarHBondContact NE2-OD1 2.58Å; Q500-S759 PolarHBondContact OE1-OG 3.4Å
501	G	87	Confident	93.2	Very high	20 Å²	20	18 Å²	18	21%	0.206	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	8.8	-176.5	0	0	0	0	0	114.6	S471 G497 L498 I499	S471-G501 WeakPolarHBondContact CA-O 3.39Å; S471-G501 WeakPolarHBondContact CB-O 3.2Å; G497-G501 PolarHBondContact O-N 3.28Å; L498-G501 PolarHBondContact O-N 3.35Å; L498-G501 VanDerWaalsContact O-N 3.11Å; I499-G501 PolarHBondContact O-N 2.92Å
502	N	89.1	Confident	93.2	Very high	9 Å²	9	20 Å²	20	5%	0.048	10%	0.097	C	C	.	.			trans	-75.4	147.5	177.2	-65.7	-38.3	0	0	0	111.3	H472 G497 Q500 V504 S759	H472-N502 WeakPolarHBondContact CB-OD1 3.29Å; H472-N502 PolarHBondContact N-OD1 2.97Å; H472-N502 CarbonylContact O-C 3.53Å; H472-N502 VanDerWaalsContact O-CA 3.32Å; H472-N502 WeakPolarHBondContact O-CA 3.18Å; H472-N502 WeakPolarHBondContact O-CB 3.37Å; G497-N502 WeakPolarHBondContact O-CB 3.46Å; G497-N502 PolarHBondContact O-N 3.45Å; Q500-N502 VanDerWaalsContact C-N 3.31Å; N502-V504 PolarHBondContact O-N 2.88Å; N502-S759 PolarHBondContact ND2-OG 3.14Å
503	R	91.9	Very high	93.2	Very high	89 Å²	89	20 Å²	20	34%	0.336	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	114.2	167.4	-176.3	-177.2	-174.9	-138.6	-3.2	108.1	H472 T473 V474 E521	H472-R503 PolarHBondContact O-N 2.59Å; T473-R503 CarbonylContact C-O 3.58Å; T473-R503 VanDerWaalsContact CA-O 3.28Å; T473-R503 WeakPolarHBondContact CA-O 3.21Å; T473-R503 HydrophobicContact CG2-CG 4.46Å; V474-R503 PolarHBondContact N-O 3.05Å; R503-E521 HydrophobicContact CG-CG 4.4Å; R503-E521 IonicContact CZ-OE2 3.89Å; R503-E521 IonicContact NE-OE1 3.02Å; R503-E521 IonicContact NE-OE2 3.95Å; R503-E521 PolarHBondContact NE-OE2 2.91Å; R503-E521 IonicContact NH2-OE2 2.73Å; R503-E521 PolarHBondContact NH2-OE2 3.27Å
504	V	94.3	Very high	93.2	Very high	1 Å²	1	20 Å²	20	1%	0.006	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.3	-179.3	-169.3	0	0	0	0	110.7	V474 V476 V494 L498 N502 A522	V474-V504 WeakPolarHBondContact O-CA 3.37Å; V476-V504 HydrophobicContact CG1-CG1 4.45Å; V494-V504 HydrophobicContact CB-CG1 4.4Å; V494-V504 HydrophobicContact CG2-CG1 3.88Å; L498-V504 HydrophobicContact CD2-CG2 4.46Å; L498-V504 HydrophobicContact CG-CG2 4.33Å; N502-V504 PolarHBondContact O-N 2.88Å; V504-A522 PolarHBondContact O-N 3.46Å
505	L	96.6	Very high	93.3	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	143.4	173.1	-58.1	-178.5	0	0	0	109.4	T473 V474 A475 V476 I519 E520 E521 F559 I561	T473-L505 HydrophobicContact CG2-CD1 3.48Å; T473-L505 VanDerWaalsContact CG2-CD1 3.48Å; T473-L505 HydrophobicContact CG2-CG 3.75Å; V474-L505 PolarHBondContact O-N 3.02Å; A475-L505 CarbonylContact C-O 3.6Å; A475-L505 VanDerWaalsContact CA-O 3.3Å; A475-L505 WeakPolarHBondContact CA-O 3.45Å; A475-L505 HydrophobicContact CB-CB 4.41Å; V476-L505 PolarHBondContact N-O 3.1Å; L505-I519 HydrophobicContact CB-CG2 3.75Å; L505-I519 HydrophobicContact CD1-CG2 3.93Å; L505-I519 HydrophobicContact CD2-CG2 4.44Å; L505-I519 HydrophobicContact CG-CG2 4.25Å; L505-E520 CarbonylContact C-O 3.48Å; L505-E520 WeakPolarHBondContact CA-O 3.17Å; L505-E521 HydrophobicContact CD2-CB 3.91Å; L505-E521 HydrophobicContact CD2-CG 4.17Å; L505-F559 HydrophobicContact CD1-CB 3.98Å; L505-I561 HydrophobicContact CD1-CG1 4.2Å
506	V	96.9	Very high	93.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	138.8	168.7	-65.1	0	0	0	0	108.9	V476 V494 I519 E520 A522 Y526 L538	V476-V506 HydrophobicContact CG1-CB 4.42Å; V476-V506 HydrophobicContact CG1-CG1 3.64Å; V476-V506 WeakPolarHBondContact O-CA 3.36Å; V494-V506 HydrophobicContact CG2-CG1 4.18Å; V506-I519 WeakPolarHBondContact O-CA 3.37Å; V506-E520 HydrophobicContact CG2-CG 3.36Å; V506-E520 PolarHBondContact N-O 2.96Å; V506-E520 PolarHBondContact O-N 3.31Å; V506-A522 HydrophobicContact CG1-CB 3.63Å; V506-A522 HydrophobicContact CG2-CB 4.34Å; V506-Y526 HydrophobicContact CG1-CE1 4.28Å; V506-Y526 HydrophobicContact CG2-CE1 4.07Å; V506-L538 HydrophobicContact CB-CD1 4.17Å; V506-L538 HydrophobicContact CB-CD2 3.68Å; V506-L538 HydrophobicContact CG1-CD1 4.38Å; V506-L538 HydrophobicContact CG1-CD2 4.09Å; V506-L538 HydrophobicContact CG2-CD2 3.96Å
507	V	97.4	Very high	93.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	127	178.1	-162.8	0	0	0	0	109	A475 V476 M477 L514 I519	A475-V507 HydrophobicContact CB-CG2 4.12Å; V476-V507 PolarHBondContact O-N 3.18Å; M477-V507 HydrophobicContact CB-CB 3.79Å; M477-V507 HydrophobicContact CB-CG2 4.15Å; V507-L514 HydrophobicContact CG1-CB 3.84Å; V507-L514 HydrophobicContact CG1-CD1 4.23Å; V507-L514 HydrophobicContact CG2-CD1 4.36Å; V507-I519 HydrophobicContact CB-CG1 4.46Å; V507-I519 HydrophobicContact CG1-CG1 3.95Å; V507-I519 HydrophobicContact CG2-CG1 4.19Å
508	H	96.8	Very high	93.8	Very high	48 Å²	48	30.2 Å²	30.2	22%	0.222	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	156.4	176.4	-62.3	-79.5	0	0	0	111.6	G510 G513 Q518 E520 L538	H508-G510 PolarHBondContact O-N 3.08Å; H508-G513 VanDerWaalsContact O-CA 3.26Å; H508-G513 WeakPolarHBondContact O-CA 3.34Å; H508-Q518 HydrophobicContact CB-CB 4.26Å; H508-Q518 PolarHBondContact N-O 3.07Å; H508-E520 IonicContact CE1-OE1 2.78Å; H508-E520 PolarHBondContact CE1-OE1 3.39Å; H508-E520 VanDerWaalsContact CE1-OE1 3.25Å; H508-E520 VanDerWaalsContact NE2-CD 3.31Å; H508-E520 WeakPolarHBondContact NE2-CG 3.4Å; H508-E520 IonicContact NE2-OE1 2.75Å; H508-E520 PolarHBondContact NE2-OE1 3.48Å; H508-L538 CarbonylContact C-O 3.41Å; H508-L538 WeakPolarHBondContact CA-O 3.28Å; H508-L538 WeakPolarHBondContact CB-O 3.2Å; H508-L538 PolarHBondContact ND1-O 2.94Å
509	D	95.3	Very high	94.1	Very high	44 Å²	44	29.7 Å²	29.7	24%	0.235	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	20.1	170.5	-82.7	-2.9	0	0	0	116	L538 K541	D509-L538 PolarHBondContact N-O 3.12Å; D509-K541 HydrophobicContact CB-CD 3.97Å; D509-K541 HydrophobicContact CB-CG 4.38Å; D509-K541 VanDerWaalsContact CG-CE 3.43Å; D509-K541 WeakPolarHBondContact OD2-CE 3.22Å; D509-K541 IonicContact OD2-NZ 2.72Å; D509-K541 PolarHBondContact OD2-NZ 2.99Å
510	G	95.1	Very high	94.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	-139.3	178.6	0	0	0	0	0	113.3	N478 H508 E512 G513 L514	N478-G510 VanDerWaalsContact O-CA 3.3Å; N478-G510 WeakPolarHBondContact O-CA 3.47Å; H508-G510 PolarHBondContact O-N 3.08Å; G510-E512 VanDerWaalsContact C-N 3.26Å; G510-E512 PolarHBondContact O-N 3.43Å; G510-G513 PolarHBondContact O-N 3.49Å; G510-L514 PolarHBondContact O-N 2.92Å
511	F	96.4	Very high	94.7	Very high	3 Å²	3	34 Å²	34	1%	0.013	17%	0.169	C	C	.	.	H	α-helix	trans	-61.4	-29.5	-177	-68.1	-69.5	0	0	0	114.2	M477 V479 L514 A515 T543 P545 I552 I566 L579	M477-F511 HydrophobicContact CE-CD1 3.62Å; M477-F511 HydrophobicContact CE-CE1 3.28Å; M477-F511 HydrophobicContact CE-CE2 4.33Å; M477-F511 HydrophobicContact CE-CG 4.31Å; M477-F511 HydrophobicContact CE-CZ 3.69Å; M477-F511 HydrophobicContact SD-CD1 4.33Å; V479-F511 HydrophobicContact CB-CE2 4.48Å; V479-F511 HydrophobicContact CG1-CD2 3.96Å; V479-F511 HydrophobicContact CG1-CE2 3.93Å; V479-F511 HydrophobicContact CG2-CD2 3.83Å; V479-F511 HydrophobicContact CG2-CE2 3.84Å; F511-L514 HydrophobicContact CD1-CD2 4.44Å; F511-L514 PolarHBondContact O-N 2.97Å; F511-A515 PolarHBondContact O-N 3.07Å; F511-T543 WeakPolarHBondContact CD2-O 3.35Å; F511-P545 HydrophobicContact CB-CB 4.46Å; F511-P545 HydrophobicContact CD1-CB 3.63Å; F511-P545 HydrophobicContact CD1-CG 4.02Å; F511-P545 HydrophobicContact CD2-CG 4.44Å; F511-P545 HydrophobicContact CE1-CB 3.85Å; F511-P545 HydrophobicContact CE1-CG 3.8Å; F511-P545 HydrophobicContact CE2-CG 4.26Å; F511-P545 HydrophobicContact CG-CB 4.03Å; F511-P545 HydrophobicContact CG-CG 4.31Å; F511-P545 HydrophobicContact CZ-CB 4.45Å; F511-P545 HydrophobicContact CZ-CG 3.93Å; F511-I552 HydrophobicContact CD1-CD1 4.39Å; F511-I566 HydrophobicContact CE1-CD1 4.48Å; F511-I566 HydrophobicContact CZ-CD1 4Å; F511-L579 HydrophobicContact CE1-CD1 4.03Å; F511-L579 HydrophobicContact CE1-CD2 4.49Å; F511-L579 HydrophobicContact CE1-CG 4.33Å; F511-L579 HydrophobicContact CZ-CD1 4.3Å
512	E	95.2	Very high	95	Very high	51 Å²	51	33.2 Å²	33.2	24%	0.238	16%	0.159	C	C	.	.	H	α-helix	trans	-68.8	-42.8	177.2	-165.8	-162	131.2	0	0	111.5	G510 A515 K516 K541 T543	G510-E512 VanDerWaalsContact C-N 3.26Å; G510-E512 PolarHBondContact O-N 3.43Å; E512-A515 PolarHBondContact O-N 3.35Å; E512-K516 HydrophobicContact CG-CD 4.34Å; E512-K516 WeakPolarHBondContact O-CB 3.26Å; E512-K516 WeakPolarHBondContact O-CG 3.47Å; E512-K516 PolarHBondContact O-N 2.89Å; E512-K516 WeakPolarHBondContact OE1-CE 3.37Å; E512-K516 IonicContact OE1-NZ 2.68Å; E512-K516 PolarHBondContact OE1-NZ 3.31Å; E512-K541 HydrophobicContact CB-CD 4.29Å; E512-K541 IonicContact OE1-NZ 2.63Å; E512-K541 PolarHBondContact OE1-NZ 3.28Å; E512-K541 WeakPolarHBondContact OE2-CD 3.4Å; E512-K541 WeakPolarHBondContact OE2-CE 3.24Å; E512-K541 IonicContact OE2-NZ 2.66Å; E512-K541 PolarHBondContact OE2-NZ 3.24Å; E512-T543 HydrophobicContact CB-CG2 4.19Å
513	G	94.9	Very high	94.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-70.6	-32.3	174.5	0	0	0	0	0	112.3	H508 G510 K516 G517 Q518	H508-G513 VanDerWaalsContact O-CA 3.26Å; H508-G513 WeakPolarHBondContact O-CA 3.34Å; G510-G513 PolarHBondContact O-N 3.49Å; G513-K516 CarbonylContact O-C 3.38Å; G513-K516 PolarHBondContact O-N 2.63Å; G513-G517 PolarHBondContact O-N 2.73Å; G513-Q518 PolarHBondContact O-N 2.71Å
514	L	95.7	Very high	94.6	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-59.7	-45.4	170.6	-172.3	51.6	0	0	0	111.6	M477 V507 G510 F511 K516 G517 I519 I552 N555 I561	M477-L514 HydrophobicContact CE-CD2 4.35Å; M477-L514 HydrophobicContact SD-CD2 4.28Å; V507-L514 HydrophobicContact CG1-CB 3.84Å; V507-L514 HydrophobicContact CG1-CD1 4.23Å; V507-L514 HydrophobicContact CG2-CD1 4.36Å; G510-L514 PolarHBondContact O-N 2.92Å; F511-L514 HydrophobicContact CD1-CD2 4.44Å; F511-L514 PolarHBondContact O-N 2.97Å; L514-K516 VanDerWaalsContact C-N 3.34Å; L514-G517 PolarHBondContact O-N 3.49Å; L514-I519 HydrophobicContact CD1-CD1 3.94Å; L514-I552 HydrophobicContact CB-CG1 4.49Å; L514-I552 HydrophobicContact CD2-CG1 4.42Å; L514-I552 HydrophobicContact CD2-CG2 3.81Å; L514-I552 HydrophobicContact CG-CG1 4.17Å; L514-I552 HydrophobicContact CG-CG2 4.11Å; L514-N555 PolarHBondContact O-ND2 3.23Å; L514-I561 HydrophobicContact CD1-CD1 4.12Å
515	A	95.7	Very high	94.3	Very high	15 Å²	15	35.7 Å²	35.7	12%	0.124	19%	0.19	C	C	.	.	H	α-helix	trans	-65.4	-35.7	175	0	0	0	0	0	112.5	F511 E512 G517 Q551 I552 N555	F511-A515 PolarHBondContact O-N 3.07Å; E512-A515 PolarHBondContact O-N 3.35Å; A515-G517 VanDerWaalsContact C-N 3.34Å; A515-Q551 HydrophobicContact CB-CB 4.05Å; A515-Q551 WeakPolarHBondContact O-CB 3.41Å; A515-I552 HydrophobicContact CB-CG1 4.02Å; A515-N555 PolarHBondContact O-ND2 3.41Å
516	K	95.8	Very high	93.9	Very high	131 Å²	131	38.9 Å²	38.9	57%	0.57	20%	0.203	S	C	*	.	H	α-helix	trans	-81.5	-6.5	177.9	-71.1	173.9	175.7	-179.6	0	114.6	E512 G513 L514 Q518	E512-K516 HydrophobicContact CG-CD 4.34Å; E512-K516 WeakPolarHBondContact O-CB 3.26Å; E512-K516 WeakPolarHBondContact O-CG 3.47Å; E512-K516 PolarHBondContact O-N 2.89Å; E512-K516 WeakPolarHBondContact OE1-CE 3.37Å; E512-K516 IonicContact OE1-NZ 2.68Å; E512-K516 PolarHBondContact OE1-NZ 3.31Å; G513-K516 CarbonylContact O-C 3.38Å; G513-K516 PolarHBondContact O-N 2.63Å; L514-K516 VanDerWaalsContact C-N 3.34Å; K516-Q518 VanDerWaalsContact C-N 3.34Å; K516-Q518 HydrophobicContact CB-CG 4.06Å
517	G	93.8	Very high	93.6	Very high	19 Å²	19	38.9 Å²	38.9	20%	0.196	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	25.1	-176.2	0	0	0	0	0	114.2	G513 L514 A515 I519 N555	G513-G517 PolarHBondContact O-N 2.73Å; L514-G517 PolarHBondContact O-N 3.49Å; A515-G517 VanDerWaalsContact C-N 3.34Å; G517-I519 PolarHBondContact O-N 2.82Å; G517-N555 PolarHBondContact N-ND2 2.93Å
518	Q	95.8	Very high	93	Very high	81 Å²	81	40.6 Å²	40.6	38%	0.379	22%	0.22	S	C	.	.			trans	-77.8	69.8	175.6	-65.2	179.8	-26.8	0	0	110.4	H508 G513 K516	H508-Q518 HydrophobicContact CB-CB 4.26Å; H508-Q518 PolarHBondContact N-O 3.07Å; G513-Q518 PolarHBondContact O-N 2.71Å; K516-Q518 VanDerWaalsContact C-N 3.34Å; K516-Q518 HydrophobicContact CB-CG 4.06Å
519	I	96.1	Very high	92.4	Very high	23 Å²	23	40.1 Å²	40.1	12%	0.118	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.8	-174	-59.5	162.1	0	0	0	109.2	L505 V506 V507 L514 G517 F559 I561	L505-I519 HydrophobicContact CB-CG2 3.75Å; L505-I519 HydrophobicContact CD1-CG2 3.93Å; L505-I519 HydrophobicContact CD2-CG2 4.44Å; L505-I519 HydrophobicContact CG-CG2 4.25Å; V506-I519 WeakPolarHBondContact O-CA 3.37Å; V507-I519 HydrophobicContact CB-CG1 4.46Å; V507-I519 HydrophobicContact CG1-CG1 3.95Å; V507-I519 HydrophobicContact CG2-CG1 4.19Å; L514-I519 HydrophobicContact CD1-CD1 3.94Å; G517-I519 PolarHBondContact O-N 2.82Å; I519-F559 HydrophobicContact CB-CD1 4.37Å; I519-F559 HydrophobicContact CB-CE1 4.11Å; I519-F559 HydrophobicContact CB-CE2 4.39Å; I519-F559 HydrophobicContact CB-CZ 4.11Å; I519-F559 HydrophobicContact CD1-CB 4.48Å; I519-F559 HydrophobicContact CD1-CD1 4.46Å; I519-F559 HydrophobicContact CD1-CD2 3.42Å; I519-F559 VanDerWaalsContact CD1-CD2 3.42Å; I519-F559 HydrophobicContact CD1-CE2 3.6Å; I519-F559 HydrophobicContact CD1-CG 3.89Å; I519-F559 HydrophobicContact CD1-CZ 4.2Å; I519-F559 HydrophobicContact CG1-CE2 4.45Å; I519-F559 HydrophobicContact CG2-CD1 4.26Å; I519-F559 HydrophobicContact CG2-CE1 4.41Å; I519-I561 HydrophobicContact CD1-CD1 4.17Å
520	E	95.3	Very high	92.3	Very high	79 Å²	79	39 Å²	39	37%	0.369	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	160.1	173	66.2	179.5	175.2	0	0	111.9	L505 V506 H508 Y526	L505-E520 CarbonylContact C-O 3.48Å; L505-E520 WeakPolarHBondContact CA-O 3.17Å; V506-E520 HydrophobicContact CG2-CG 3.36Å; V506-E520 PolarHBondContact N-O 2.96Å; V506-E520 PolarHBondContact O-N 3.31Å; H508-E520 IonicContact CE1-OE1 2.78Å; H508-E520 PolarHBondContact CE1-OE1 3.39Å; H508-E520 VanDerWaalsContact CE1-OE1 3.25Å; H508-E520 VanDerWaalsContact NE2-CD 3.31Å; H508-E520 WeakPolarHBondContact NE2-CG 3.4Å; H508-E520 IonicContact NE2-OE1 2.75Å; H508-E520 PolarHBondContact NE2-OE1 3.48Å; E520-Y526 WeakPolarHBondContact OE1-CE2 3.2Å; E520-Y526 PolarHBondContact OE1-OH 2.83Å
521	E	94.3	Very high	92	Very high	99 Å²	99	39.1 Å²	39.1	46%	0.463	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	121.5	-179.2	-174	167.6	157.6	0	0	110.7	R503 L505	R503-E521 HydrophobicContact CG-CG 4.4Å; R503-E521 IonicContact CZ-OE2 3.89Å; R503-E521 IonicContact NE-OE1 3.02Å; R503-E521 IonicContact NE-OE2 3.95Å; R503-E521 PolarHBondContact NE-OE2 2.91Å; R503-E521 IonicContact NH2-OE2 2.73Å; R503-E521 PolarHBondContact NH2-OE2 3.27Å; L505-E521 HydrophobicContact CD2-CB 3.91Å; L505-E521 HydrophobicContact CD2-CG 4.17Å
522	A	92.6	Very high	91.6	Very high	2 Å²	2	39.8 Å²	39.8	2%	0.017	23%	0.229	C	C	.	.			trans	-93.5	110.1	-172.3	0	0	0	0	0	112.2	V494 V504 V506 Y526	V494-A522 HydrophobicContact CG1-CB 3.9Å; V494-A522 HydrophobicContact CG2-CB 4.09Å; V504-A522 PolarHBondContact O-N 3.46Å; V506-A522 HydrophobicContact CG1-CB 3.63Å; V506-A522 HydrophobicContact CG2-CB 4.34Å; A522-Y526 HydrophobicContact CB-CD1 3.84Å; A522-Y526 HydrophobicContact CB-CE1 4.32Å; A522-Y526 HydrophobicContact CB-CG 4.35Å
523	G	87.4	Confident	91.4	Very high	37 Å²	37	40.8 Å²	40.8	38%	0.381	23%	0.234	S	C	.	.			trans	-79.6	172.1	171.5	0	0	0	0	0	114	S525 Y526	G523-S525 VanDerWaalsContact C-N 3.31Å; G523-S525 PolarHBondContact O-N 3.36Å; G523-Y526 VanDerWaalsContact O-CB 3.32Å; G523-Y526 WeakPolarHBondContact O-CB 3.13Å; G523-Y526 PolarHBondContact O-N 2.62Å; G523-Y526 VanDerWaalsContact O-N 3.17Å
524	W	86.3	Confident	91.3	Very high	46 Å²	46	42.1 Å²	42.1	17%	0.174	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-41.6	-178.9	-178.4	-91	0	0	0	113.9	P464 R495 L498 I499	P464-W524 HydrophobicContact CG-CE3 4.12Å; P464-W524 HydrophobicContact CG-CZ3 4.29Å; R495-W524 HydrophobicContact CB-CE3 4.49Å; R495-W524 HydrophobicContact CB-CZ3 4.04Å; R495-W524 HydrophobicContact CG-CE3 4.06Å; R495-W524 HydrophobicContact CG-CH2 4.31Å; R495-W524 HydrophobicContact CG-CZ3 3.95Å; L498-W524 HydrophobicContact CD1-CB 4.31Å; I499-W524 HydrophobicContact CD1-CH2 4.24Å; I499-W524 HydrophobicContact CD1-CZ3 3.97Å; I499-W524 HydrophobicContact CG1-CZ3 4.03Å
525	S	86.1	Confident	91.1	Very high	69 Å²	69	43.6 Å²	43.6	48%	0.483	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-16.6	-177.2	-52	0	0	0	0	113.3	R324 G523 V527 G528	R324-S525 PolarHBondContact O-OG 2.8Å; G523-S525 VanDerWaalsContact C-N 3.31Å; G523-S525 PolarHBondContact O-N 3.36Å; S525-V527 PolarHBondContact O-N 2.83Å; S525-G528 PolarHBondContact O-N 2.89Å
526	Y	89.1	Confident	91.1	Very high	69 Å²	69	44.2 Å²	44.2	27%	0.271	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-45.9	178.8	174.9	-90.9	0	0	0	111.6	V506 E520 A522 G523 G528 W530 L538	V506-Y526 HydrophobicContact CG1-CE1 4.28Å; V506-Y526 HydrophobicContact CG2-CE1 4.07Å; E520-Y526 WeakPolarHBondContact OE1-CE2 3.2Å; E520-Y526 PolarHBondContact OE1-OH 2.83Å; A522-Y526 HydrophobicContact CB-CD1 3.84Å; A522-Y526 HydrophobicContact CB-CE1 4.32Å; A522-Y526 HydrophobicContact CB-CG 4.35Å; G523-Y526 VanDerWaalsContact O-CB 3.32Å; G523-Y526 WeakPolarHBondContact O-CB 3.13Å; G523-Y526 PolarHBondContact O-N 2.62Å; G523-Y526 VanDerWaalsContact O-N 3.17Å; Y526-G528 PolarHBondContact O-N 2.78Å; Y526-W530 HydrophobicContact CD1-CH2 4.19Å; Y526-W530 HydrophobicContact CD1-CZ2 4.03Å; Y526-W530 AromaticContact CE1-CH2 3.34Å; Y526-W530 HydrophobicContact CE1-CH2 3.34Å; Y526-W530 AromaticContact CE1-CZ2 3.48Å; Y526-W530 HydrophobicContact CE1-CZ2 3.48Å; Y526-W530 VanDerWaalsContact CE1-CZ2 3.48Å; Y526-W530 HydrophobicContact CE1-CZ3 4.31Å; Y526-W530 AromaticContact CZ-CH2 3.83Å; Y526-W530 AromaticContact CZ-CZ2 3.85Å; Y526-W530 PolarHBondContact O-NE1 2.93Å; Y526-L538 HydrophobicContact CE1-CD2 4.49Å
527	V	89.8	Confident	91.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	19.5	174.3	-61.5	0	0	0	0	113.7	V490 R491 V494 R495 S525 G529 W530	V490-V527 HydrophobicContact CG1-CG1 4.4Å; R491-V527 HydrophobicContact CB-CB 3.96Å; R491-V527 HydrophobicContact CB-CG2 4.3Å; R491-V527 WeakPolarHBondContact CD-O 3.31Å; R491-V527 HydrophobicContact CG-CB 3.97Å; R491-V527 HydrophobicContact CG-CG2 3.9Å; V494-V527 HydrophobicContact CB-CG1 3.92Å; V494-V527 HydrophobicContact CB-CG2 4.19Å; V494-V527 HydrophobicContact CG1-CG1 4.05Å; V494-V527 HydrophobicContact CG1-CG2 4.02Å; V494-V527 HydrophobicContact CG2-CG1 3.88Å; R495-V527 HydrophobicContact CG-CG2 4.09Å; S525-V527 PolarHBondContact O-N 2.83Å; V527-G529 PolarHBondContact O-N 2.93Å; V527-W530 HydrophobicContact CB-CD2 4.34Å; V527-W530 HydrophobicContact CB-CG 4.41Å; V527-W530 HydrophobicContact CG1-CD2 4.35Å; V527-W530 HydrophobicContact CG1-CE3 4.23Å; V527-W530 HydrophobicContact CG1-CZ3 4.4Å
528	G	86.1	Confident	91.1	Very high	35 Å²	35	42.5 Å²	42.5	36%	0.361	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	124.3	179.3	0	0	0	0	0	112.2	S525 Y526 W530	S525-G528 PolarHBondContact O-N 2.89Å; Y526-G528 PolarHBondContact O-N 2.78Å; G528-W530 VanDerWaalsContact C-N 3.27Å; G528-W530 PolarHBondContact O-N 3.37Å
529	G	84.7	Confident	91.1	Very high	39 Å²	39	39.7 Å²	39.7	40%	0.402	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	7.3	178.4	0	0	0	0	0	116	V527 T531 Q533	V527-G529 PolarHBondContact O-N 2.93Å; G529-T531 VanDerWaalsContact C-N 3.31Å; G529-T531 PolarHBondContact O-N 3.29Å; G529-Q533 PolarHBondContact O-NE2 2.95Å; G529-Q533 VanDerWaalsContact O-NE2 3.16Å
530	W	91.8	Very high	91	Very high	21 Å²	21	39.9 Å²	39.9	8%	0.08	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-71.3	-19.4	-177.4	-77.1	33.8	0	0	0	114.3	N487 V490 R491 Y526 V527 G528 G532 Q533 K537 L538	N487-W530 HydrophobicContact CB-CB 4.21Å; N487-W530 HydrophobicContact CB-CE3 4.2Å; N487-W530 WeakPolarHBondContact CB-O 3.3Å; V490-W530 HydrophobicContact CB-CE3 4.46Å; V490-W530 HydrophobicContact CB-CZ3 4.36Å; V490-W530 HydrophobicContact CG1-CE3 4.22Å; V490-W530 HydrophobicContact CG1-CZ3 3.79Å; R491-W530 HydrophobicContact CB-CB 4.27Å; Y526-W530 HydrophobicContact CD1-CH2 4.19Å; Y526-W530 HydrophobicContact CD1-CZ2 4.03Å; Y526-W530 AromaticContact CE1-CH2 3.34Å; Y526-W530 HydrophobicContact CE1-CH2 3.34Å; Y526-W530 AromaticContact CE1-CZ2 3.48Å; Y526-W530 HydrophobicContact CE1-CZ2 3.48Å; Y526-W530 VanDerWaalsContact CE1-CZ2 3.48Å; Y526-W530 HydrophobicContact CE1-CZ3 4.31Å; Y526-W530 AromaticContact CZ-CH2 3.83Å; Y526-W530 AromaticContact CZ-CZ2 3.85Å; Y526-W530 PolarHBondContact O-NE1 2.93Å; V527-W530 HydrophobicContact CB-CD2 4.34Å; V527-W530 HydrophobicContact CB-CG 4.41Å; V527-W530 HydrophobicContact CG1-CD2 4.35Å; V527-W530 HydrophobicContact CG1-CE3 4.23Å; V527-W530 HydrophobicContact CG1-CZ3 4.4Å; G528-W530 VanDerWaalsContact C-N 3.27Å; G528-W530 PolarHBondContact O-N 3.37Å; W530-G532 VanDerWaalsContact C-N 3.33Å; W530-G532 PolarHBondContact O-N 3.41Å; W530-Q533 PolarHBondContact O-N 3.47Å; W530-K537 HydrophobicContact CD2-CB 4.19Å; W530-K537 HydrophobicContact CD2-CG 4.13Å; W530-K537 HydrophobicContact CE3-CB 3.91Å; W530-K537 HydrophobicContact CE3-CG 4.27Å; W530-K537 HydrophobicContact CH2-CB 3.43Å; W530-K537 VanDerWaalsContact CH2-CB 3.43Å; W530-K537 HydrophobicContact CH2-CG 4.32Å; W530-K537 HydrophobicContact CZ2-CB 3.74Å; W530-K537 HydrophobicContact CZ2-CG 4.19Å; W530-K537 HydrophobicContact CZ3-CB 3.53Å; W530-K537 HydrophobicContact CZ3-CG 4.35Å; W530-L538 HydrophobicContact CH2-CD2 3.85Å; W530-L538 HydrophobicContact CH2-CG 4.49Å; W530-L538 HydrophobicContact CZ3-CD2 4.13Å; W530-L538 HydrophobicContact CZ3-CG 4.34Å
531	T	88.8	Confident	90.9	Very high	2 Å²	2	39 Å²	39	1%	0.012	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-58.4	-41	-173.7	-30.7	0	0	0	0	113.2	S293 A488 R491 G529 R744	S293-T531 WeakPolarHBondContact O-CG2 3.37Å; A488-T531 HydrophobicContact CB-CG2 3.97Å; R491-T531 WeakPolarHBondContact CD-OG1 3.5Å; R491-T531 PolarHBondContact NE-OG1 2.87Å; G529-T531 VanDerWaalsContact C-N 3.31Å; G529-T531 PolarHBondContact O-N 3.29Å; T531-R744 HydrophobicContact CG2-CB 4.32Å; T531-R744 HydrophobicContact CG2-CG 4.48Å; T531-R744 WeakPolarHBondContact O-CG 3.49Å
532	G	88.1	Confident	90.9	Very high	17 Å²	17	41.4 Å²	41.4	18%	0.175	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-90	6.5	-178.1	0	0	0	0	0	115.2	W530 R744	W530-G532 VanDerWaalsContact C-N 3.33Å; W530-G532 PolarHBondContact O-N 3.41Å; G532-R744 VanDerWaalsContact CA-NH1 3.33Å
533	Q	91.9	Very high	91	Very high	71 Å²	71	43.6 Å²	43.6	33%	0.332	26%	0.262	S	S	.	.			trans	-100.9	129	-173.3	-60.8	-174.6	20.1	0	0	111.4	N487 G529 W530	N487-Q533 PolarHBondContact ND2-O 3.1Å; G529-Q533 PolarHBondContact O-NE2 2.95Å; G529-Q533 VanDerWaalsContact O-NE2 3.16Å; W530-Q533 PolarHBondContact O-N 3.47Å
534	G	91.9	Very high	91.3	Very high	29 Å²	29	45 Å²	45	30%	0.299	26%	0.26	S	S	.	.			trans	-73.6	177.9	173.2	0	0	0	0	0	114.3	N487 G737	N487-G534 PolarHBondContact ND2-O 2.93Å; G534-G737 VanDerWaalsContact CA-O 3.24Å; G534-G737 WeakPolarHBondContact CA-O 3.29Å
535	G	92.4	Very high	91.7	Very high	32 Å²	32	42.8 Å²	42.8	33%	0.33	25%	0.252	S	S	.	.	S	Bend	trans	65.9	-156	-179.6	0	0	0	0	0	113.8	N487	N487-G535 PolarHBondContact ND2-O 3.22Å; N487-G535 VanDerWaalsContact ND2-O 3.1Å
536	S	94.9	Very high	92	Very high	27 Å²	27	44.1 Å²	44.1	19%	0.189	25%	0.249	C	C	.	.			trans	-123.8	118.8	174.8	179.5	0	0	0	0	110.8	N478 G539	N478-S536 PolarHBondContact ND2-OG 3.12Å; S536-G539 PolarHBondContact O-N 3.17Å; S536-G539 PolarHBondContact OG-N 2.89Å; S536-G539 PolarHBondContact OG-O 2.93Å
537	K	95.3	Very high	92.1	Very high	113 Å²	113	50.5 Å²	50.5	49%	0.491	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-26.1	174.2	-78.4	-65	-170.9	-178.7	0	114	N487 W530 G539	N487-K537 PolarHBondContact OD1-N 3.4Å; W530-K537 HydrophobicContact CD2-CB 4.19Å; W530-K537 HydrophobicContact CD2-CG 4.13Å; W530-K537 HydrophobicContact CE3-CB 3.91Å; W530-K537 HydrophobicContact CE3-CG 4.27Å; W530-K537 HydrophobicContact CH2-CB 3.43Å; W530-K537 VanDerWaalsContact CH2-CB 3.43Å; W530-K537 HydrophobicContact CH2-CG 4.32Å; W530-K537 HydrophobicContact CZ2-CB 3.74Å; W530-K537 HydrophobicContact CZ2-CG 4.19Å; W530-K537 HydrophobicContact CZ3-CB 3.53Å; W530-K537 HydrophobicContact CZ3-CG 4.35Å; K537-G539 PolarHBondContact O-N 3.1Å
538	L	94.9	Very high	92.2	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.01	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-6.3	174.2	-58.6	-175.4	0	0	0	112.6	V490 V506 H508 D509 Y526 W530	V490-L538 HydrophobicContact CG1-CD1 4.07Å; V490-L538 HydrophobicContact CG2-CD1 3.92Å; V506-L538 HydrophobicContact CB-CD1 4.17Å; V506-L538 HydrophobicContact CB-CD2 3.68Å; V506-L538 HydrophobicContact CG1-CD1 4.38Å; V506-L538 HydrophobicContact CG1-CD2 4.09Å; V506-L538 HydrophobicContact CG2-CD2 3.96Å; H508-L538 CarbonylContact C-O 3.41Å; H508-L538 WeakPolarHBondContact CA-O 3.28Å; H508-L538 WeakPolarHBondContact CB-O 3.2Å; H508-L538 PolarHBondContact ND1-O 2.94Å; D509-L538 PolarHBondContact N-O 3.12Å; Y526-L538 HydrophobicContact CE1-CD2 4.49Å; W530-L538 HydrophobicContact CH2-CD2 3.85Å; W530-L538 HydrophobicContact CH2-CG 4.49Å; W530-L538 HydrophobicContact CZ3-CD2 4.13Å; W530-L538 HydrophobicContact CZ3-CG 4.34Å
539	G	94.4	Very high	92.6	Very high	21 Å²	21	51.1 Å²	51.1	22%	0.216	28%	0.275	C	S	.	.			trans	74.6	169	-158	0	0	0	0	0	110.8	S536 K537	S536-G539 PolarHBondContact O-N 3.17Å; S536-G539 PolarHBondContact OG-N 2.89Å; S536-G539 PolarHBondContact OG-O 2.93Å; K537-G539 PolarHBondContact O-N 3.1Å
540	T	94.6	Very high	93	Very high	27 Å²	27	55.6 Å²	55.6	17%	0.166	29%	0.286	C	S	.	.			trans	-163.4	139.5	175.4	-178.9	0	0	0	0	109.4	V479 G480 P482	V479-T540 VanDerWaalsContact C-OG1 3.28Å; V479-T540 WeakPolarHBondContact CA-OG1 3.44Å; V479-T540 PolarHBondContact N-OG1 3.07Å; G480-T540 PolarHBondContact N-OG1 3.34Å; G480-T540 WeakPolarHBondContact O-CG2 3.4Å; G480-T540 PolarHBondContact O-OG1 3.28Å; P482-T540 HydrophobicContact CB-CG2 4.01Å; P482-T540 HydrophobicContact CG-CG2 4.47Å
541	K	94	Very high	93.1	Very high	60 Å²	60	58.6 Å²	58.6	26%	0.261	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-137.8	157.7	-178.6	-68	-176.6	174.6	162.4	0	111.1	G480 D509 E512 T543	G480-K541 PolarHBondContact N-O 3.26Å; D509-K541 HydrophobicContact CB-CD 3.97Å; D509-K541 HydrophobicContact CB-CG 4.38Å; D509-K541 VanDerWaalsContact CG-CE 3.43Å; D509-K541 WeakPolarHBondContact OD2-CE 3.22Å; D509-K541 IonicContact OD2-NZ 2.72Å; D509-K541 PolarHBondContact OD2-NZ 2.99Å; E512-K541 HydrophobicContact CB-CD 4.29Å; E512-K541 IonicContact OE1-NZ 2.63Å; E512-K541 PolarHBondContact OE1-NZ 3.28Å; E512-K541 WeakPolarHBondContact OE2-CD 3.4Å; E512-K541 WeakPolarHBondContact OE2-CE 3.24Å; E512-K541 IonicContact OE2-NZ 2.66Å; E512-K541 PolarHBondContact OE2-NZ 3.24Å; K541-T543 VanDerWaalsContact C-N 3.28Å; K541-T543 HydrophobicContact CB-CG2 4.36Å; K541-T543 PolarHBondContact O-N 2.85Å
542	R	93.8	Very high	93.4	Very high	150 Å²	150	58.5 Å²	58.5	57%	0.566	30%	0.3	S	S	*	.			trans	-88.2	12.5	177.7	-63.5	-176.6	-176	-160.1	6.3	113.5	E571	R542-E571 HydrophobicContact CB-CG 3.94Å; R542-E571 WeakPolarHBondContact CD-OE1 3.47Å; R542-E571 HydrophobicContact CG-CG 4.24Å; R542-E571 IonicContact NE-OE1 2.73Å
543	T	93.9	Very high	93.7	Very high	49 Å²	49	58.1 Å²	58.1	30%	0.301	30%	0.295	S	S	.	.			trans	-70.7	132	179.2	48.4	0	0	0	0	111	F511 E512 K541	F511-T543 WeakPolarHBondContact CD2-O 3.35Å; E512-T543 HydrophobicContact CB-CG2 4.19Å; K541-T543 VanDerWaalsContact C-N 3.28Å; K541-T543 HydrophobicContact CB-CG2 4.36Å; K541-T543 PolarHBondContact O-N 2.85Å
544	L	95.3	Very high	93.8	Very high	65 Å²	65	57.4 Å²	57.4	34%	0.34	30%	0.301	S	S	.	.			trans	-97.1	148.3	178.5	-62.9	176.3	0	0	0	111.3	K546 E571 T574 E578	L544-K546 PolarHBondContact O-N 3.28Å; L544-E571 HydrophobicContact CD2-CB 4.19Å; L544-E571 HydrophobicContact CD2-CG 4.47Å; L544-E571 WeakPolarHBondContact CD2-O 3.43Å; L544-T574 HydrophobicContact CD1-CG2 4.08Å; L544-T574 HydrophobicContact CD2-CG2 4.2Å; L544-E578 WeakPolarHBondContact CB-OE2 3.41Å
545	P	94	Very high	94	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.006	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-71.6	-23.6	-171	27.5	-35.5	0	0	0	115.7	F511 K547 S548 F549 I552 E578 L579	F511-P545 HydrophobicContact CB-CB 4.46Å; F511-P545 HydrophobicContact CD1-CB 3.63Å; F511-P545 HydrophobicContact CD1-CG 4.02Å; F511-P545 HydrophobicContact CD2-CG 4.44Å; F511-P545 HydrophobicContact CE1-CB 3.85Å; F511-P545 HydrophobicContact CE1-CG 3.8Å; F511-P545 HydrophobicContact CE2-CG 4.26Å; F511-P545 HydrophobicContact CG-CB 4.03Å; F511-P545 HydrophobicContact CG-CG 4.31Å; F511-P545 HydrophobicContact CZ-CB 4.45Å; F511-P545 HydrophobicContact CZ-CG 3.93Å; P545-K547 PolarHBondContact O-N 3.44Å; P545-S548 CarbonylContact O-C 3.52Å; P545-S548 PolarHBondContact O-N 2.86Å; P545-F549 HydrophobicContact CB-CD1 4.22Å; P545-F549 HydrophobicContact CB-CE1 3.89Å; P545-F549 HydrophobicContact CG-CE1 4.16Å; P545-F549 WeakPolarHBondContact O-CD1 3.32Å; P545-F549 PolarHBondContact O-N 3.12Å; P545-I552 HydrophobicContact CB-CD1 3.61Å; P545-E578 WeakPolarHBondContact CD-OE2 3.24Å; P545-E578 HydrophobicContact CG-CB 3.88Å; P545-E578 WeakPolarHBondContact CG-OE2 3.42Å; P545-L579 HydrophobicContact CB-CD2 4.45Å; P545-L579 HydrophobicContact CG-CD2 4.49Å; P545-L579 HydrophobicContact CG-CG 4.36Å
546	K	92.1	Very high	94.1	Very high	97 Å²	97	55.6 Å²	55.6	42%	0.422	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-57.7	-25.8	-170.2	-177.4	166.8	-166.6	160.9	0	115.8	L544 S548 F549 E578 E581	L544-K546 PolarHBondContact O-N 3.28Å; K546-S548 VanDerWaalsContact C-N 3.3Å; K546-F549 HydrophobicContact CB-CE1 4.45Å; K546-F549 HydrophobicContact CB-CE2 4.07Å; K546-F549 HydrophobicContact CB-CZ 3.87Å; K546-F549 HydrophobicContact CG-CE2 3.93Å; K546-F549 HydrophobicContact CG-CZ 4.19Å; K546-E578 HydrophobicContact CB-CB 4.37Å; K546-E578 HydrophobicContact CB-CG 4.1Å; K546-E578 WeakPolarHBondContact CB-OE2 3.04Å; K546-E578 HydrophobicContact CD-CG 4.36Å; K546-E578 PolarHBondContact N-OE2 2.8Å; K546-E581 IonicContact NZ-OE1 3.24Å; K546-E581 PolarHBondContact NZ-OE1 3.27Å; K546-E581 IonicContact NZ-OE2 2.74Å; K546-E581 PolarHBondContact NZ-OE2 3.31Å
547	K	91.1	Very high	94	Very high	202 Å²	202	58.5 Å²	58.5	88%	0.878	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-80.8	-6.9	175.9	-64.4	-171.2	-175.9	-173.9	0	114.3	P545	P545-K547 PolarHBondContact O-N 3.44Å
548	S	92.6	Very high	93.9	Very high	35 Å²	35	60.3 Å²	60.3	25%	0.245	30%	0.301	C	S	.	.			trans	-139.5	22.6	-170.2	-60.8	0	0	0	0	113.6	P545 K546 E550 Q551 I552	P545-S548 CarbonylContact O-C 3.52Å; P545-S548 PolarHBondContact O-N 2.86Å; K546-S548 VanDerWaalsContact C-N 3.3Å; S548-E550 VanDerWaalsContact C-N 3.28Å; S548-E550 PolarHBondContact O-N 3.14Å; S548-Q551 VanDerWaalsContact CB-OE1 3.22Å; S548-Q551 PolarHBondContact O-N 2.72Å; S548-Q551 VanDerWaalsContact O-N 3.14Å; S548-Q551 PolarHBondContact OG-OE1 3.31Å; S548-I552 WeakPolarHBondContact O-CB 3.44Å; S548-I552 VanDerWaalsContact O-CG1 3.29Å; S548-I552 WeakPolarHBondContact O-CG1 3.46Å; S548-I552 PolarHBondContact O-N 2.98Å
549	F	93.4	Very high	93.8	Very high	13 Å²	13	62.3 Å²	62.3	6%	0.057	31%	0.31	C	S	.	.	H	α-helix	trans	-54.7	-41.2	-179.3	-71.8	-33.2	0	0	0	112.9	P545 K546 Q551 I552 S553 E578 F586 L589	P545-F549 HydrophobicContact CB-CD1 4.22Å; P545-F549 HydrophobicContact CB-CE1 3.89Å; P545-F549 HydrophobicContact CG-CE1 4.16Å; P545-F549 WeakPolarHBondContact O-CD1 3.32Å; P545-F549 PolarHBondContact O-N 3.12Å; K546-F549 HydrophobicContact CB-CE1 4.45Å; K546-F549 HydrophobicContact CB-CE2 4.07Å; K546-F549 HydrophobicContact CB-CZ 3.87Å; K546-F549 HydrophobicContact CG-CE2 3.93Å; K546-F549 HydrophobicContact CG-CZ 4.19Å; F549-Q551 PolarHBondContact O-N 2.91Å; F549-I552 PolarHBondContact O-N 2.79Å; F549-S553 WeakPolarHBondContact O-CB 3.42Å; F549-S553 PolarHBondContact O-N 3.05Å; F549-S553 PolarHBondContact O-OG 2.69Å; F549-E578 HydrophobicContact CE1-CB 4.49Å; F549-E578 HydrophobicContact CZ-CB 4.12Å; F549-E578 WeakPolarHBondContact CZ-O 3.45Å; F549-F586 HydrophobicContact CB-CD2 3.88Å; F549-F586 HydrophobicContact CB-CE2 3.54Å; F549-F586 HydrophobicContact CB-CZ 4.22Å; F549-F586 HydrophobicContact CD2-CE2 4.31Å; F549-F586 HydrophobicContact CG-CD2 4.5Å; F549-F586 HydrophobicContact CG-CE2 4.36Å; F549-L589 HydrophobicContact CB-CD1 4.48Å; F549-L589 HydrophobicContact CD1-CD1 3.94Å; F549-L589 HydrophobicContact CE1-CD1 4.33Å; F549-L589 HydrophobicContact CG-CD1 4.21Å
550	E	93.3	Very high	93.8	Very high	133 Å²	133	65.5 Å²	65.5	62%	0.621	32%	0.322	S	S	*	.	H	α-helix	trans	-59.4	-42.2	177.4	-64.9	176.1	178.3	0	0	113.2	S548 S553 A554 F586	S548-E550 VanDerWaalsContact C-N 3.28Å; S548-E550 PolarHBondContact O-N 3.14Å; E550-S553 PolarHBondContact O-OG 3.45Å; E550-S553 VanDerWaalsContact O-OG 3.08Å; E550-A554 VanDerWaalsContact O-CB 3.26Å; E550-A554 WeakPolarHBondContact O-CB 3.32Å; E550-A554 PolarHBondContact O-N 2.61Å; E550-A554 VanDerWaalsContact O-N 3.15Å; E550-F586 HydrophobicContact CG-CE1 4.13Å; E550-F586 HydrophobicContact CG-CZ 3.8Å
551	Q	95.3	Very high	93.7	Very high	85 Å²	85	64.5 Å²	64.5	40%	0.397	32%	0.316	S	S	.	.	H	α-helix	trans	-77	-32.6	178.6	-57.3	92.5	31.6	0	0	111.5	A515 S548 F549 N555	A515-Q551 HydrophobicContact CB-CB 4.05Å; A515-Q551 WeakPolarHBondContact O-CB 3.41Å; S548-Q551 VanDerWaalsContact CB-OE1 3.22Å; S548-Q551 PolarHBondContact O-N 2.72Å; S548-Q551 VanDerWaalsContact O-N 3.14Å; S548-Q551 PolarHBondContact OG-OE1 3.31Å; F549-Q551 PolarHBondContact O-N 2.91Å; Q551-N555 WeakPolarHBondContact O-CB 3.23Å; Q551-N555 PolarHBondContact O-N 2.93Å; Q551-N555 PolarHBondContact O-ND2 3.27Å
552	I	94.5	Very high	93.7	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-67.9	-46.5	176	-69.8	169.2	0	0	0	110.8	F511 L514 A515 P545 S548 F549 N555 I556 L589	F511-I552 HydrophobicContact CD1-CD1 4.39Å; L514-I552 HydrophobicContact CB-CG1 4.49Å; L514-I552 HydrophobicContact CD2-CG1 4.42Å; L514-I552 HydrophobicContact CD2-CG2 3.81Å; L514-I552 HydrophobicContact CG-CG1 4.17Å; L514-I552 HydrophobicContact CG-CG2 4.11Å; A515-I552 HydrophobicContact CB-CG1 4.02Å; P545-I552 HydrophobicContact CB-CD1 3.61Å; S548-I552 WeakPolarHBondContact O-CB 3.44Å; S548-I552 VanDerWaalsContact O-CG1 3.29Å; S548-I552 WeakPolarHBondContact O-CG1 3.46Å; S548-I552 PolarHBondContact O-N 2.98Å; F549-I552 PolarHBondContact O-N 2.79Å; I552-N555 PolarHBondContact O-N 2.79Å; I552-I556 HydrophobicContact CG2-CD1 3.73Å; I552-I556 HydrophobicContact CG2-CG1 4.47Å; I552-I556 WeakPolarHBondContact O-CB 3.45Å; I552-I556 VanDerWaalsContact O-CG1 3.31Å; I552-I556 WeakPolarHBondContact O-CG1 3.29Å; I552-I556 PolarHBondContact O-N 2.9Å; I552-L589 HydrophobicContact CG2-CD2 4.04Å
553	S	93.9	Very high	93.8	Very high	9 Å²	9	55.9 Å²	55.9	6%	0.063	28%	0.283	C	S	.	.	H	α-helix	trans	-63.6	-45.3	176.8	58.8	0	0	0	0	111.3	F549 E550 N555 I556 T557	F549-S553 WeakPolarHBondContact O-CB 3.42Å; F549-S553 PolarHBondContact O-N 3.05Å; F549-S553 PolarHBondContact O-OG 2.69Å; E550-S553 PolarHBondContact O-OG 3.45Å; E550-S553 VanDerWaalsContact O-OG 3.08Å; S553-N555 VanDerWaalsContact C-N 3.32Å; S553-N555 PolarHBondContact O-N 3.29Å; S553-I556 PolarHBondContact O-N 2.85Å; S553-T557 PolarHBondContact O-N 3.14Å; S553-T557 PolarHBondContact O-OG1 3.28Å
554	A	94.6	Very high	93.9	Very high	56 Å²	56	53.7 Å²	53.7	46%	0.463	27%	0.269	S	S	.	.	H	α-helix	trans	-57	-42.6	174.3	0	0	0	0	0	112.5	E550 K558	E550-A554 VanDerWaalsContact O-CB 3.26Å; E550-A554 WeakPolarHBondContact O-CB 3.32Å; E550-A554 PolarHBondContact O-N 2.61Å; E550-A554 VanDerWaalsContact O-N 3.15Å; A554-K558 VanDerWaalsContact O-CB 3.23Å; A554-K558 WeakPolarHBondContact O-CB 3.24Å; A554-K558 PolarHBondContact O-N 2.79Å
555	N	95.9	Very high	94.1	Very high	16 Å²	16	50.6 Å²	50.6	9%	0.086	25%	0.253	C	S	.	.	H	α-helix	trans	-74.1	-35.5	177.2	-76	-39.1	0	0	0	113.2	L514 A515 G517 Q551 I552 S553 T557 K558 F559	L514-N555 PolarHBondContact O-ND2 3.23Å; A515-N555 PolarHBondContact O-ND2 3.41Å; G517-N555 PolarHBondContact N-ND2 2.93Å; Q551-N555 WeakPolarHBondContact O-CB 3.23Å; Q551-N555 PolarHBondContact O-N 2.93Å; Q551-N555 PolarHBondContact O-ND2 3.27Å; I552-N555 PolarHBondContact O-N 2.79Å; S553-N555 VanDerWaalsContact C-N 3.32Å; S553-N555 PolarHBondContact O-N 3.29Å; N555-T557 VanDerWaalsContact C-N 3.3Å; N555-T557 PolarHBondContact O-N 2.91Å; N555-K558 PolarHBondContact O-N 3.49Å; N555-F559 HydrophobicContact CB-CD2 4.28Å; N555-F559 WeakPolarHBondContact O-CD2 3.44Å; N555-F559 PolarHBondContact O-N 3.05Å
556	I	94.3	Very high	94.3	Very high	7 Å²	7	50.6 Å²	50.6	4%	0.036	25%	0.253	C	S	.	.	H	α-helix	trans	-56.5	-47	172.2	-76.7	164.7	0	0	0	110.2	I552 S553 N560 I561 E588 L589 I591	I552-I556 HydrophobicContact CG2-CD1 3.73Å; I552-I556 HydrophobicContact CG2-CG1 4.47Å; I552-I556 WeakPolarHBondContact O-CB 3.45Å; I552-I556 VanDerWaalsContact O-CG1 3.31Å; I552-I556 WeakPolarHBondContact O-CG1 3.29Å; I552-I556 PolarHBondContact O-N 2.9Å; S553-I556 PolarHBondContact O-N 2.85Å; I556-N560 CarbonylContact O-C 3.57Å; I556-N560 VanDerWaalsContact O-CA 3.31Å; I556-N560 WeakPolarHBondContact O-CA 3.48Å; I556-N560 PolarHBondContact O-N 3.32Å; I556-I561 HydrophobicContact CB-CB 4.47Å; I556-I561 HydrophobicContact CG1-CB 4.33Å; I556-I561 HydrophobicContact CG1-CD1 4.28Å; I556-I561 HydrophobicContact CG2-CB 4.24Å; I556-I561 PolarHBondContact O-N 3.27Å; I556-E588 HydrophobicContact CG2-CB 4.37Å; I556-L589 HydrophobicContact CD1-CD2 3.73Å; I556-I591 HydrophobicContact CD1-CD1 4.15Å; I556-I591 HydrophobicContact CG1-CD1 4.47Å; I556-I591 HydrophobicContact CG2-CD1 4.37Å
557	T	93	Very high	94.6	Very high	88 Å²	88	46 Å²	46	54%	0.54	23%	0.233	S	C	.	.	H	α-helix	trans	-65.9	-48.5	175.3	-63.9	0	0	0	0	112.2	S553 N555 F559 N560 E588	S553-T557 PolarHBondContact O-N 3.14Å; S553-T557 PolarHBondContact O-OG1 3.28Å; N555-T557 VanDerWaalsContact C-N 3.3Å; N555-T557 PolarHBondContact O-N 2.91Å; T557-F559 VanDerWaalsContact C-N 3.33Å; T557-F559 PolarHBondContact O-N 3.27Å; T557-N560 PolarHBondContact O-N 3.43Å; T557-E588 WeakPolarHBondContact OG1-CG 3.33Å
558	K	93.9	Very high	94.8	Very high	151 Å²	151	36.3 Å²	36.3	66%	0.657	19%	0.191	S	C	*	.	H	α-helix	trans	-57.2	-41.4	-179	178.5	-176.6	174.3	-175.7	0	113.4	A554 N555	A554-K558 VanDerWaalsContact O-CB 3.23Å; A554-K558 WeakPolarHBondContact O-CB 3.24Å; A554-K558 PolarHBondContact O-N 2.79Å; N555-K558 PolarHBondContact O-N 3.49Å
559	F	92.8	Very high	95	Very high	43 Å²	43	34.8 Å²	34.8	19%	0.189	18%	0.181	C	C	.	.	H	α-helix	trans	-93.1	-0.1	179	-69.6	-85.7	0	0	0	112.9	L505 I519 N555 T557 I561	L505-F559 HydrophobicContact CD1-CB 3.98Å; I519-F559 HydrophobicContact CB-CD1 4.37Å; I519-F559 HydrophobicContact CB-CE1 4.11Å; I519-F559 HydrophobicContact CB-CE2 4.39Å; I519-F559 HydrophobicContact CB-CZ 4.11Å; I519-F559 HydrophobicContact CD1-CB 4.48Å; I519-F559 HydrophobicContact CD1-CD1 4.46Å; I519-F559 HydrophobicContact CD1-CD2 3.42Å; I519-F559 VanDerWaalsContact CD1-CD2 3.42Å; I519-F559 HydrophobicContact CD1-CE2 3.6Å; I519-F559 HydrophobicContact CD1-CG 3.89Å; I519-F559 HydrophobicContact CD1-CZ 4.2Å; I519-F559 HydrophobicContact CG1-CE2 4.45Å; I519-F559 HydrophobicContact CG2-CD1 4.26Å; I519-F559 HydrophobicContact CG2-CE1 4.41Å; N555-F559 HydrophobicContact CB-CD2 4.28Å; N555-F559 WeakPolarHBondContact O-CD2 3.44Å; N555-F559 PolarHBondContact O-N 3.05Å; T557-F559 VanDerWaalsContact C-N 3.33Å; T557-F559 PolarHBondContact O-N 3.27Å; F559-I561 VanDerWaalsContact C-N 3.34Å; F559-I561 HydrophobicContact CB-CD1 4.31Å; F559-I561 HydrophobicContact CB-CG1 3.98Å; F559-I561 PolarHBondContact O-N 3.16Å
560	N	92.7	Very high	95.1	Very high	88 Å²	88	34.4 Å²	34.4	47%	0.471	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	51.4	-174.3	-178.2	25.4	0	0	0	111.5	T473 I556 T557 Q562	T473-N560 WeakPolarHBondContact CB-O 3.42Å; T473-N560 PolarHBondContact OG1-O 3.01Å; I556-N560 CarbonylContact O-C 3.57Å; I556-N560 VanDerWaalsContact O-CA 3.31Å; I556-N560 WeakPolarHBondContact O-CA 3.48Å; I556-N560 PolarHBondContact O-N 3.32Å; T557-N560 PolarHBondContact O-N 3.43Å; N560-Q562 PolarHBondContact OD1-NE2 3.3Å; N560-Q562 VanDerWaalsContact OD1-NE2 3.15Å
561	I	94.2	Very high	95.3	Very high	6 Å²	6	28.8 Å²	28.8	3%	0.031	15%	0.153	C	C	.	.			trans	-73.4	125	178.3	-60	175.4	0	0	0	108.5	A475 L505 L514 I519 I556 F559 G563 I591	A475-I561 HydrophobicContact CB-CD1 4Å; A475-I561 HydrophobicContact CB-CG1 4.32Å; A475-I561 HydrophobicContact CB-CG2 3.74Å; L505-I561 HydrophobicContact CD1-CG1 4.2Å; L514-I561 HydrophobicContact CD1-CD1 4.12Å; I519-I561 HydrophobicContact CD1-CD1 4.17Å; I556-I561 HydrophobicContact CB-CB 4.47Å; I556-I561 HydrophobicContact CG1-CB 4.33Å; I556-I561 HydrophobicContact CG1-CD1 4.28Å; I556-I561 HydrophobicContact CG2-CB 4.24Å; I556-I561 PolarHBondContact O-N 3.27Å; F559-I561 VanDerWaalsContact C-N 3.34Å; F559-I561 HydrophobicContact CB-CD1 4.31Å; F559-I561 HydrophobicContact CB-CG1 3.98Å; F559-I561 PolarHBondContact O-N 3.16Å; I561-G563 WeakPolarHBondContact CG2-O 3.29Å; I561-I591 HydrophobicContact CG2-CD1 3.96Å
562	Q	94	Very high	95.4	Very high	29 Å²	29	24.7 Å²	24.7	14%	0.136	13%	0.134	C	C	.	.			trans	-114	-12.5	-170.9	-76.9	-175.1	0.3	0	0	113.4	H472 T473 N560 P592 I771	H472-Q562 PolarHBondContact ND1-OE1 3.1Å; T473-Q562 WeakPolarHBondContact O-CA 3.04Å; T473-Q562 VanDerWaalsContact O-CB 3.29Å; T473-Q562 WeakPolarHBondContact O-CB 3.41Å; T473-Q562 PolarHBondContact O-N 3.3Å; N560-Q562 PolarHBondContact OD1-NE2 3.3Å; N560-Q562 VanDerWaalsContact OD1-NE2 3.15Å; Q562-P592 WeakPolarHBondContact O-CD 3.48Å; Q562-I771 HydrophobicContact CB-CD1 3.39Å; Q562-I771 HydrophobicContact CG-CD1 3.61Å
563	G	95.2	Very high	95.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	157.8	170.8	0	0	0	0	0	111	T473 V474 A475 I561 P592	T473-G563 PolarHBondContact O-N 2.88Å; V474-G563 WeakPolarHBondContact CA-O 3.33Å; A475-G563 PolarHBondContact N-O 3.45Å; I561-G563 WeakPolarHBondContact CG2-O 3.29Å; G563-P592 VanDerWaalsContact CA-O 3.3Å; G563-P592 WeakPolarHBondContact CA-O 3.29Å
564	L	96.9	Very high	95.6	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.021	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	122.8	-169.2	-174.9	64.4	0	0	0	112.5	A475 M477 I566 L579 I591 P592 F593 V594 M758	A475-L564 HydrophobicContact CB-CD1 3.84Å; A475-L564 CarbonylContact O-C 3.56Å; A475-L564 WeakPolarHBondContact O-CA 3.31Å; M477-L564 HydrophobicContact CE-CD1 3.96Å; M477-L564 HydrophobicContact CE-CD2 3.79Å; M477-L564 HydrophobicContact CE-CG 4.1Å; M477-L564 HydrophobicContact SD-CD1 4.42Å; L564-I566 HydrophobicContact CD2-CD1 4.07Å; L564-I566 HydrophobicContact CD2-CG1 4.24Å; L564-I566 HydrophobicContact CG-CD1 4.35Å; L564-I566 HydrophobicContact CG-CG1 3.98Å; L564-L579 HydrophobicContact CD2-CD1 3.95Å; L564-I591 HydrophobicContact CB-CD1 4.17Å; L564-P592 PolarHBondContact N-O 3.39Å; L564-F593 HydrophobicContact CB-CB 3.89Å; L564-F593 CarbonylContact O-C 3.57Å; L564-F593 WeakPolarHBondContact O-CA 3.46Å; L564-F593 WeakPolarHBondContact O-CB 3.26Å; L564-V594 PolarHBondContact O-N 3.2Å; L564-M758 WeakPolarHBondContact O-CE 3.49Å
565	V	98	Very high	95.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	115.9	176	-178.3	0	0	0	0	109.1	V474 A475 V476 M477 T493 I567 V594 I596 M755 M758	V474-V565 HydrophobicContact CG1-CG2 4.08Å; A475-V565 PolarHBondContact O-N 3.18Å; V476-V565 VanDerWaalsContact CA-O 3.31Å; V476-V565 WeakPolarHBondContact CA-O 3.49Å; V476-V565 HydrophobicContact CB-CB 4.23Å; V476-V565 HydrophobicContact CG2-CB 4.05Å; V476-V565 HydrophobicContact CG2-CG1 4.1Å; M477-V565 PolarHBondContact N-O 3.22Å; T493-V565 HydrophobicContact CG2-CB 4.08Å; T493-V565 HydrophobicContact CG2-CG1 3.99Å; T493-V565 HydrophobicContact CG2-CG2 3.98Å; V565-I567 HydrophobicContact CG1-CG1 4.38Å; V565-V594 HydrophobicContact CB-CG1 4.35Å; V565-V594 HydrophobicContact CG1-CG1 4.2Å; V565-V594 HydrophobicContact CG2-CG1 3.93Å; V565-I596 HydrophobicContact CG1-CD1 3.95Å; V565-M755 HydrophobicContact CG2-SD 3.85Å; V565-M758 HydrophobicContact CG2-CE 4.03Å
566	I	98.1	Very high	95.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	116.1	-175.4	-40.7	-176	0	0	0	108.3	M477 V479 F511 L564 A572 L579 F593 V594 V595 I596	M477-I566 HydrophobicContact CE-CB 4.48Å; M477-I566 HydrophobicContact CE-CD1 3.85Å; M477-I566 HydrophobicContact CE-CG1 3.81Å; M477-I566 HydrophobicContact CE-CG2 4.05Å; M477-I566 HydrophobicContact CG-CG2 4.32Å; V479-I566 HydrophobicContact CB-CG2 4.17Å; V479-I566 HydrophobicContact CG2-CG2 3.72Å; F511-I566 HydrophobicContact CE1-CD1 4.48Å; F511-I566 HydrophobicContact CZ-CD1 4Å; L564-I566 HydrophobicContact CD2-CD1 4.07Å; L564-I566 HydrophobicContact CD2-CG1 4.24Å; L564-I566 HydrophobicContact CG-CD1 4.35Å; L564-I566 HydrophobicContact CG-CG1 3.98Å; I566-A572 HydrophobicContact CG2-CB 3.8Å; I566-L579 HydrophobicContact CD1-CD1 3.92Å; I566-F593 HydrophobicContact CD1-CD2 4.2Å; I566-V594 PolarHBondContact N-O 2.78Å; I566-V595 HydrophobicContact CB-CG2 4.37Å; I566-V595 HydrophobicContact CD1-CG2 4.45Å; I566-V595 CarbonylContact O-C 3.58Å; I566-V595 VanDerWaalsContact O-CA 3.27Å; I566-V595 WeakPolarHBondContact O-CA 3.13Å; I566-I596 PolarHBondContact O-N 3.12Å
567	I	98.3	Very high	95.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	118.3	179.9	-61.5	157.1	0	0	0	107.9	V476 M477 N478 V479 M486 A489 V490 V565 I596 A598	V476-I567 HydrophobicContact CG2-CD1 3.71Å; M477-I567 PolarHBondContact O-N 2.83Å; N478-I567 CarbonylContact C-O 3.56Å; N478-I567 VanDerWaalsContact CA-O 3.26Å; N478-I567 WeakPolarHBondContact CA-O 3.17Å; N478-I567 WeakPolarHBondContact OD1-CB 3.44Å; V479-I567 PolarHBondContact N-O 3.13Å; M486-I567 HydrophobicContact CB-CG2 4.36Å; M486-I567 HydrophobicContact CG-CG2 4.02Å; A489-I567 HydrophobicContact CB-CD1 3.75Å; A489-I567 HydrophobicContact CB-CG1 4.24Å; A489-I567 HydrophobicContact CB-CG2 4.26Å; V490-I567 HydrophobicContact CB-CD1 4.38Å; V490-I567 HydrophobicContact CG2-CD1 3.54Å; V565-I567 HydrophobicContact CG1-CG1 4.38Å; I567-I596 HydrophobicContact CG1-CB 4.08Å; I567-I596 HydrophobicContact CG1-CD1 4.01Å; I567-I596 HydrophobicContact CG1-CG1 4.49Å; I567-A598 HydrophobicContact CG2-CB 3.73Å
568	G	97	Very high	95.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.1	-179.8	-174.5	0	0	0	0	0	118	V479 I596 P597 A598	V479-G568 WeakPolarHBondContact O-CA 3.32Å; G568-I596 PolarHBondContact N-O 3.09Å; G568-P597 CarbonylContact O-C 3.57Å; G568-P597 WeakPolarHBondContact O-CA 3.35Å; G568-A598 CarbonylContact C-O 3.53Å; G568-A598 PolarHBondContact O-N 3.47Å
569	G	96	Very high	96	Very high	3 Å²	3	13.2 Å²	13.2	3%	0.031	7%	0.068	C	C	.	.	S	Bend	trans	-83.4	-151.9	-177.9	0	0	0	0	0	113	V479 E571 A572 Y573 A598	V479-G569 PolarHBondContact O-N 3.39Å; G569-E571 PolarHBondContact O-N 3.2Å; G569-A572 WeakPolarHBondContact O-CB 3.25Å; G569-A572 PolarHBondContact O-N 3.01Å; G569-Y573 PolarHBondContact O-N 3.06Å; G569-A598 WeakPolarHBondContact CA-O 3.5Å; G569-A598 PolarHBondContact N-O 3.35Å
570	F	96.4	Very high	96	Very high	5 Å²	5	12.5 Å²	12.5	2%	0.022	7%	0.065	C	C	.	.	H	α-helix	trans	-57.6	-36.1	-179.7	-162.3	-87.4	0	0	0	112.6	A572 Y573 T574 P605 T801 F803 R806	F570-A572 VanDerWaalsContact C-N 3.26Å; F570-A572 PolarHBondContact O-N 2.88Å; F570-Y573 HydrophobicContact CD2-CD1 4.43Å; F570-Y573 HydrophobicContact CE2-CD1 4.27Å; F570-Y573 HydrophobicContact CE2-CE1 4.47Å; F570-Y573 HydrophobicContact CZ-CD1 4.43Å; F570-Y573 WeakPolarHBondContact O-CB 3.44Å; F570-Y573 PolarHBondContact O-N 2.87Å; F570-Y573 VanDerWaalsContact O-N 3.15Å; F570-T574 WeakPolarHBondContact CD1-OG1 3.46Å; F570-T574 VanDerWaalsContact CE1-OG1 3.3Å; F570-T574 WeakPolarHBondContact CE1-OG1 3.29Å; F570-T574 PolarHBondContact O-N 3.36Å; F570-T574 PolarHBondContact O-OG1 2.62Å; F570-T574 VanDerWaalsContact O-OG1 3.12Å; F570-P605 HydrophobicContact CE2-CG 4.35Å; F570-T801 HydrophobicContact CE2-CG2 3.77Å; F570-T801 HydrophobicContact CZ-CG2 3.59Å; F570-F803 HydrophobicContact CE1-CD1 4.2Å; F570-F803 HydrophobicContact CZ-CD1 4.02Å; F570-F803 HydrophobicContact CZ-CE1 4.39Å; F570-R806 HydrophobicContact CD1-CB 3.87Å; F570-R806 HydrophobicContact CD1-CG 3.89Å; F570-R806 HydrophobicContact CD2-CB 3.99Å; F570-R806 WeakPolarHBondContact CD2-O 3.47Å; F570-R806 HydrophobicContact CE1-CB 3.86Å; F570-R806 HydrophobicContact CE1-CG 3.74Å; F570-R806 VanDerWaalsContact CE2-C 3.48Å; F570-R806 HydrophobicContact CE2-CB 3.99Å; F570-R806 HydrophobicContact CG-CB 3.93Å; F570-R806 HydrophobicContact CG-CG 4.45Å; F570-R806 HydrophobicContact CZ-CB 3.92Å; F570-R806 HydrophobicContact CZ-CG 4.18Å
571	E	96.4	Very high	96.1	Very high	14 Å²	14	12.3 Å²	12.3	7%	0.065	6%	0.062	C	C	.	.	H	α-helix	trans	-61	-30.3	173.8	-70.7	85.8	173	0	0	113.8	V479 R542 L544 G569 G575 R806	V479-E571 HydrophobicContact CG1-CB 3.97Å; R542-E571 HydrophobicContact CB-CG 3.94Å; R542-E571 WeakPolarHBondContact CD-OE1 3.47Å; R542-E571 HydrophobicContact CG-CG 4.24Å; R542-E571 IonicContact NE-OE1 2.73Å; L544-E571 HydrophobicContact CD2-CB 4.19Å; L544-E571 HydrophobicContact CD2-CG 4.47Å; L544-E571 WeakPolarHBondContact CD2-O 3.43Å; G569-E571 PolarHBondContact O-N 3.2Å; E571-G575 PolarHBondContact O-N 2.78Å; E571-R806 IonicContact OE1-CZ 2.86Å; E571-R806 IonicContact OE1-NH1 2.65Å; E571-R806 PolarHBondContact OE1-NH1 3.29Å; E571-R806 IonicContact OE1-NH2 2.72Å; E571-R806 PolarHBondContact OE1-NH2 2.88Å; E571-R806 IonicContact OE2-CZ 2.84Å; E571-R806 IonicContact OE2-NH2 3.25Å; E571-R806 PolarHBondContact OE2-NH2 2.92Å
572	A	96.7	Very high	96	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-71.5	-39	175	0	0	0	0	0	111.4	V479 I566 G569 F570 G576 V595	V479-A572 HydrophobicContact CB-CB 4.01Å; V479-A572 HydrophobicContact CG1-CB 4.27Å; I566-A572 HydrophobicContact CG2-CB 3.8Å; G569-A572 WeakPolarHBondContact O-CB 3.25Å; G569-A572 PolarHBondContact O-N 3.01Å; F570-A572 VanDerWaalsContact C-N 3.26Å; F570-A572 PolarHBondContact O-N 2.88Å; A572-G576 PolarHBondContact O-N 3.08Å; A572-V595 HydrophobicContact CB-CG1 3.91Å
573	Y	96.8	Very high	96	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-67.4	-48.5	175.1	166.5	-113.2	0	0	0	112.1	G569 F570 G575 G576 L577 P605 V781 V794 L797 Q798 T801 F803	G569-Y573 PolarHBondContact O-N 3.06Å; F570-Y573 HydrophobicContact CD2-CD1 4.43Å; F570-Y573 HydrophobicContact CE2-CD1 4.27Å; F570-Y573 HydrophobicContact CE2-CE1 4.47Å; F570-Y573 HydrophobicContact CZ-CD1 4.43Å; F570-Y573 WeakPolarHBondContact O-CB 3.44Å; F570-Y573 PolarHBondContact O-N 2.87Å; F570-Y573 VanDerWaalsContact O-N 3.15Å; Y573-G575 VanDerWaalsContact C-N 3.33Å; Y573-G575 PolarHBondContact O-N 2.87Å; Y573-G576 WeakPolarHBondContact O-CA 3.39Å; Y573-G576 PolarHBondContact O-N 3.11Å; Y573-G576 VanDerWaalsContact O-N 3.12Å; Y573-L577 HydrophobicContact CE1-CD1 3.95Å; Y573-L577 HydrophobicContact CE2-CD1 4.13Å; Y573-L577 HydrophobicContact CE2-CG 4.38Å; Y573-L577 PolarHBondContact O-N 3.43Å; Y573-P605 HydrophobicContact CD1-CG 4.21Å; Y573-P605 HydrophobicContact CE1-CB 4.41Å; Y573-P605 HydrophobicContact CE1-CG 3.77Å; Y573-V781 HydrophobicContact CD2-CG2 3.77Å; Y573-V781 HydrophobicContact CE2-CG2 4.3Å; Y573-V794 HydrophobicContact CD2-CB 4.48Å; Y573-V794 HydrophobicContact CD2-CG1 4.31Å; Y573-V794 HydrophobicContact CE2-CB 4.19Å; Y573-V794 HydrophobicContact CE2-CG1 4.46Å; Y573-L797 HydrophobicContact CE2-CB 3.9Å; Y573-L797 HydrophobicContact CE2-CD1 4.26Å; Y573-L797 WeakPolarHBondContact OH-CB 3.42Å; Y573-L797 PolarHBondContact OH-O 3.2Å; Y573-Q798 PolarHBondContact OH-N 2.94Å; Y573-T801 HydrophobicContact CE1-CG2 3.96Å; Y573-T801 PolarHBondContact OH-OG1 3.02Å; Y573-F803 HydrophobicContact CE1-CE1 4.27Å; Y573-F803 HydrophobicContact CE1-CZ 4.38Å
574	T	96.6	Very high	95.8	Very high	27 Å²	27	19.8 Å²	19.8	17%	0.166	9%	0.093	C	C	.	.	H	α-helix	trans	-61.1	-41.1	173.4	-51.7	0	0	0	0	111.5	L544 F570 G576 L577 E578	L544-T574 HydrophobicContact CD1-CG2 4.08Å; L544-T574 HydrophobicContact CD2-CG2 4.2Å; F570-T574 WeakPolarHBondContact CD1-OG1 3.46Å; F570-T574 VanDerWaalsContact CE1-OG1 3.3Å; F570-T574 WeakPolarHBondContact CE1-OG1 3.29Å; F570-T574 PolarHBondContact O-N 3.36Å; F570-T574 PolarHBondContact O-OG1 2.62Å; F570-T574 VanDerWaalsContact O-OG1 3.12Å; T574-G576 VanDerWaalsContact C-N 3.3Å; T574-G576 PolarHBondContact O-N 2.88Å; T574-L577 WeakPolarHBondContact O-CB 3.46Å; T574-L577 PolarHBondContact O-N 2.97Å; T574-L577 VanDerWaalsContact O-N 3.16Å; T574-E578 PolarHBondContact O-N 3.35Å
575	G	95.9	Very high	95.5	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.4	-36.7	173.4	0	0	0	0	0	112.9	E571 Y573 E578 L579	E571-G575 PolarHBondContact O-N 2.78Å; Y573-G575 VanDerWaalsContact C-N 3.33Å; Y573-G575 PolarHBondContact O-N 2.87Å; G575-E578 PolarHBondContact O-N 3.47Å; G575-L579 VanDerWaalsContact O-CG 3.32Å; G575-L579 WeakPolarHBondContact O-CG 3.48Å; G575-L579 PolarHBondContact O-N 3.44Å
576	G	95.8	Very high	95.2	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.2	-43.5	170.8	0	0	0	0	0	113.2	A572 Y573 T574 L579 M580 F593	A572-G576 PolarHBondContact O-N 3.08Å; Y573-G576 WeakPolarHBondContact O-CA 3.39Å; Y573-G576 PolarHBondContact O-N 3.11Å; Y573-G576 VanDerWaalsContact O-N 3.12Å; T574-G576 VanDerWaalsContact C-N 3.3Å; T574-G576 PolarHBondContact O-N 2.88Å; G576-L579 PolarHBondContact O-N 3.39Å; G576-M580 WeakPolarHBondContact O-CG 3.28Å; G576-M580 PolarHBondContact O-N 2.92Å; G576-M580 VanDerWaalsContact O-N 3.08Å; G576-F593 WeakPolarHBondContact O-CZ 3.49Å
577	L	95.9	Very high	94.8	Very high	24 Å²	24	31.6 Å²	31.6	13%	0.126	15%	0.15	C	C	.	.	H	α-helix	trans	-61.6	-43.6	173.6	-76.8	167	0	0	0	112.2	Y573 T574 M580 E581 V794 F803	Y573-L577 HydrophobicContact CE1-CD1 3.95Å; Y573-L577 HydrophobicContact CE2-CD1 4.13Å; Y573-L577 HydrophobicContact CE2-CG 4.38Å; Y573-L577 PolarHBondContact O-N 3.43Å; T574-L577 WeakPolarHBondContact O-CB 3.46Å; T574-L577 PolarHBondContact O-N 2.97Å; T574-L577 VanDerWaalsContact O-N 3.16Å; L577-M580 WeakPolarHBondContact O-CB 3.5Å; L577-M580 PolarHBondContact O-N 3.03Å; L577-E581 PolarHBondContact O-N 3.12Å; L577-V794 HydrophobicContact CD2-CB 4.1Å; L577-V794 HydrophobicContact CD2-CG2 4.03Å; L577-V794 WeakPolarHBondContact CD2-O 3.3Å; L577-V794 HydrophobicContact CG-CB 4.25Å; L577-V794 HydrophobicContact CG-CG2 4.39Å; L577-F803 HydrophobicContact CD1-CE1 3.68Å; L577-F803 HydrophobicContact CD1-CZ 3.64Å
578	E	95.9	Very high	94.4	Very high	28 Å²	28	35 Å²	35	13%	0.131	17%	0.166	C	C	.	.	H	α-helix	trans	-63	-40.8	175.2	-73.2	-174.1	176.9	0	0	111.9	L544 P545 K546 F549 T574 G575 M580 E581 G582	L544-E578 WeakPolarHBondContact CB-OE2 3.41Å; P545-E578 WeakPolarHBondContact CD-OE2 3.24Å; P545-E578 HydrophobicContact CG-CB 3.88Å; P545-E578 WeakPolarHBondContact CG-OE2 3.42Å; K546-E578 HydrophobicContact CB-CB 4.37Å; K546-E578 HydrophobicContact CB-CG 4.1Å; K546-E578 WeakPolarHBondContact CB-OE2 3.04Å; K546-E578 HydrophobicContact CD-CG 4.36Å; K546-E578 PolarHBondContact N-OE2 2.8Å; F549-E578 HydrophobicContact CE1-CB 4.49Å; F549-E578 HydrophobicContact CZ-CB 4.12Å; F549-E578 WeakPolarHBondContact CZ-O 3.45Å; T574-E578 PolarHBondContact O-N 3.35Å; G575-E578 PolarHBondContact O-N 3.47Å; E578-M580 VanDerWaalsContact C-N 3.31Å; E578-M580 PolarHBondContact O-N 3.46Å; E578-E581 WeakPolarHBondContact O-CB 3.43Å; E578-E581 PolarHBondContact O-N 3.3Å; E578-E581 VanDerWaalsContact O-N 3.15Å; E578-G582 PolarHBondContact O-N 2.94Å
579	L	95.3	Very high	94.1	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.031	17%	0.167	C	C	.	.	H	α-helix	trans	-59	-41	173.3	-72.8	173.8	0	0	0	111.9	F511 P545 L564 I566 G575 G576 E581 G582 R583 L589 F593	F511-L579 HydrophobicContact CE1-CD1 4.03Å; F511-L579 HydrophobicContact CE1-CD2 4.49Å; F511-L579 HydrophobicContact CE1-CG 4.33Å; F511-L579 HydrophobicContact CZ-CD1 4.3Å; P545-L579 HydrophobicContact CB-CD2 4.45Å; P545-L579 HydrophobicContact CG-CD2 4.49Å; P545-L579 HydrophobicContact CG-CG 4.36Å; L564-L579 HydrophobicContact CD2-CD1 3.95Å; I566-L579 HydrophobicContact CD1-CD1 3.92Å; G575-L579 VanDerWaalsContact O-CG 3.32Å; G575-L579 WeakPolarHBondContact O-CG 3.48Å; G575-L579 PolarHBondContact O-N 3.44Å; G576-L579 PolarHBondContact O-N 3.39Å; L579-E581 VanDerWaalsContact C-N 3.35Å; L579-G582 PolarHBondContact O-N 3.11Å; L579-R583 WeakPolarHBondContact O-CG 3.3Å; L579-R583 PolarHBondContact O-N 2.87Å; L579-L589 HydrophobicContact CD2-CD2 4.06Å; L579-F593 HydrophobicContact CB-CE1 4.06Å; L579-F593 HydrophobicContact CB-CZ 4.47Å; L579-F593 HydrophobicContact CD1-CD1 4.33Å; L579-F593 HydrophobicContact CD1-CG 4.44Å
580	M	94.6	Very high	93.9	Very high	28 Å²	28	35.1 Å²	35.1	14%	0.138	17%	0.166	C	C	.	.	H	α-helix	trans	-64.2	-37	174.7	-65.9	-64.6	-71	0	0	112.7	G576 L577 E578 R583 F593 V794 T795	G576-M580 WeakPolarHBondContact O-CG 3.28Å; G576-M580 PolarHBondContact O-N 2.92Å; G576-M580 VanDerWaalsContact O-N 3.08Å; L577-M580 WeakPolarHBondContact O-CB 3.5Å; L577-M580 PolarHBondContact O-N 3.03Å; E578-M580 VanDerWaalsContact C-N 3.31Å; E578-M580 PolarHBondContact O-N 3.46Å; M580-R583 VanDerWaalsContact SD-CZ 3.52Å; M580-R583 PolarHBondContact SD-NH1 2.94Å; M580-F593 HydrophobicContact CG-CE1 3.95Å; M580-F593 HydrophobicContact CG-CZ 3.81Å; M580-F593 HydrophobicContact SD-CE1 3.63Å; M580-F593 HydrophobicContact SD-CZ 3.94Å; M580-V794 HydrophobicContact CG-CG2 3.5Å; M580-T795 HydrophobicContact CB-CG2 4.46Å; M580-T795 HydrophobicContact CE-CG2 4.25Å; M580-T795 HydrophobicContact CG-CG2 4.42Å
581	E	93.4	Very high	93.8	Very high	85 Å²	85	35.5 Å²	35.5	40%	0.397	17%	0.168	S	C	.	.	H	α-helix	trans	-66.2	-43.8	173.9	-168.5	-171.9	173.3	0	0	111.1	K546 L577 E578 L579 R583 K584	K546-E581 IonicContact NZ-OE1 3.24Å; K546-E581 PolarHBondContact NZ-OE1 3.27Å; K546-E581 IonicContact NZ-OE2 2.74Å; K546-E581 PolarHBondContact NZ-OE2 3.31Å; L577-E581 PolarHBondContact O-N 3.12Å; E578-E581 WeakPolarHBondContact O-CB 3.43Å; E578-E581 PolarHBondContact O-N 3.3Å; E578-E581 VanDerWaalsContact O-N 3.15Å; L579-E581 VanDerWaalsContact C-N 3.35Å; E581-R583 VanDerWaalsContact C-N 3.28Å; E581-R583 PolarHBondContact O-N 3Å; E581-K584 PolarHBondContact O-N 3.38Å
582	G	92.6	Very high	93.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.8	-25.1	-179.1	0	0	0	0	0	114.7	E578 L579 K584 Q585 F586	E578-G582 PolarHBondContact O-N 2.94Å; L579-G582 PolarHBondContact O-N 3.11Å; G582-K584 PolarHBondContact O-N 3.43Å; G582-K584 VanDerWaalsContact O-N 3.07Å; G582-Q585 PolarHBondContact O-N 3.38Å; G582-F586 PolarHBondContact O-N 2.94Å
583	R	93.6	Very high	93.8	Very high	6 Å²	6	35 Å²	35	2%	0.023	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-19.9	173.5	-75.1	177.8	178.8	-177.7	-3.1	114.5	L579 M580 E581 Q585 L589 I591 A773 S778	L579-R583 WeakPolarHBondContact O-CG 3.3Å; L579-R583 PolarHBondContact O-N 2.87Å; M580-R583 VanDerWaalsContact SD-CZ 3.52Å; M580-R583 PolarHBondContact SD-NH1 2.94Å; E581-R583 VanDerWaalsContact C-N 3.28Å; E581-R583 PolarHBondContact O-N 3Å; R583-Q585 VanDerWaalsContact C-N 3.28Å; R583-L589 HydrophobicContact CG-CB 4.04Å; R583-L589 WeakPolarHBondContact CG-O 3.2Å; R583-L589 PolarHBondContact NE-O 3.44Å; R583-I591 PolarHBondContact NH2-O 3.35Å; R583-A773 PolarHBondContact NE-O 2.82Å; R583-A773 PolarHBondContact NH1-O 2.75Å; R583-A773 PolarHBondContact NH2-O 3.31Å; R583-S778 PolarHBondContact NH1-OG 2.94Å; R583-S778 PolarHBondContact NH2-OG 3.04Å
584	K	90.9	Very high	93.9	Very high	185 Å²	185	35 Å²	35	80%	0.804	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-16.3	173.7	-60.7	-179.8	-177.3	176.8	0	113.5	E581 G582	E581-K584 PolarHBondContact O-N 3.38Å; G582-K584 PolarHBondContact O-N 3.43Å; G582-K584 VanDerWaalsContact O-N 3.07Å
585	Q	91.2	Very high	93.9	Very high	135 Å²	135	33.7 Å²	33.7	63%	0.631	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.4	-30.8	-173.4	-62.4	176.7	3.5	0	0	112.3	G582 R583	G582-Q585 PolarHBondContact O-N 3.38Å; R583-Q585 VanDerWaalsContact C-N 3.28Å
586	F	91.4	Very high	94	Very high	43 Å²	43	33.7 Å²	33.7	19%	0.189	16%	0.158	C	C	.	.			trans	-131.7	113.7	-175.7	-60.6	-82.4	0	0	0	110.7	F549 E550 G582 E588 L589	F549-F586 HydrophobicContact CB-CD2 3.88Å; F549-F586 HydrophobicContact CB-CE2 3.54Å; F549-F586 HydrophobicContact CB-CZ 4.22Å; F549-F586 HydrophobicContact CD2-CE2 4.31Å; F549-F586 HydrophobicContact CG-CD2 4.5Å; F549-F586 HydrophobicContact CG-CE2 4.36Å; E550-F586 HydrophobicContact CG-CE1 4.13Å; E550-F586 HydrophobicContact CG-CZ 3.8Å; G582-F586 PolarHBondContact O-N 2.94Å; F586-E588 PolarHBondContact O-N 3.35Å; F586-L589 HydrophobicContact CB-CB 4.49Å; F586-L589 HydrophobicContact CB-CD1 3.95Å; F586-L589 HydrophobicContact CB-CG 3.85Å; F586-L589 HydrophobicContact CD2-CD1 4.11Å; F586-L589 HydrophobicContact CG-CD1 4.39Å; F586-L589 PolarHBondContact O-N 3.35Å; F586-L589 VanDerWaalsContact O-N 3.1Å
587	D	89.9	Confident	94.1	Very high	74 Å²	74	33.7 Å²	33.7	40%	0.396	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-59.6	-28.4	176.3	-111.2	29.7	0	0	0	111.3	L589 C590 R770	D587-L589 PolarHBondContact O-N 2.66Å; D587-C590 VanDerWaalsContact O-CB 3.27Å; D587-C590 WeakPolarHBondContact O-CB 3.46Å; D587-C590 PolarHBondContact O-N 3.16Å; D587-C590 VanDerWaalsContact O-N 3.15Å; D587-R770 IonicContact OD2-CZ 3.73Å; D587-R770 VanDerWaalsContact OD2-CZ 3.25Å; D587-R770 IonicContact OD2-NH1 3.15Å; D587-R770 PolarHBondContact OD2-NH1 3.3Å; D587-R770 IonicContact OD2-NH2 2.79Å; D587-R770 PolarHBondContact OD2-NH2 2.88Å
588	E	89.8	Confident	94.2	Very high	73 Å²	73	32.6 Å²	32.6	34%	0.341	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-65.6	-24.6	177.9	-59.1	73.4	-163	0	0	112.9	I556 T557 F586 C590	I556-E588 HydrophobicContact CG2-CB 4.37Å; T557-E588 WeakPolarHBondContact OG1-CG 3.33Å; F586-E588 PolarHBondContact O-N 3.35Å; E588-C590 VanDerWaalsContact C-N 3.26Å
589	L	90.8	Very high	94.2	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-81.7	-6.2	177.2	-59.6	-179.2	0	0	0	112.5	F549 I552 I556 L579 R583 F586 D587 I591	F549-L589 HydrophobicContact CB-CD1 4.48Å; F549-L589 HydrophobicContact CD1-CD1 3.94Å; F549-L589 HydrophobicContact CE1-CD1 4.33Å; F549-L589 HydrophobicContact CG-CD1 4.21Å; I552-L589 HydrophobicContact CG2-CD2 4.04Å; I556-L589 HydrophobicContact CD1-CD2 3.73Å; L579-L589 HydrophobicContact CD2-CD2 4.06Å; R583-L589 HydrophobicContact CG-CB 4.04Å; R583-L589 WeakPolarHBondContact CG-O 3.2Å; R583-L589 PolarHBondContact NE-O 3.44Å; F586-L589 HydrophobicContact CB-CB 4.49Å; F586-L589 HydrophobicContact CB-CD1 3.95Å; F586-L589 HydrophobicContact CB-CG 3.85Å; F586-L589 HydrophobicContact CD2-CD1 4.11Å; F586-L589 HydrophobicContact CG-CD1 4.39Å; F586-L589 PolarHBondContact O-N 3.35Å; F586-L589 VanDerWaalsContact O-N 3.1Å; D587-L589 PolarHBondContact O-N 2.66Å; L589-I591 PolarHBondContact O-N 3.02Å
590	C	92.8	Very high	94.3	Very high	1 Å²	1	32 Å²	32	1%	0.007	15%	0.151	C	C	.	.			trans	-77.3	45	174	-64.2	0	0	0	0	112.2	D587 E588 F772 A773	D587-C590 VanDerWaalsContact O-CB 3.27Å; D587-C590 WeakPolarHBondContact O-CB 3.46Å; D587-C590 PolarHBondContact O-N 3.16Å; D587-C590 VanDerWaalsContact O-N 3.15Å; E588-C590 VanDerWaalsContact C-N 3.26Å; C590-F772 HydrophobicContact CB-CD2 3.67Å; C590-F772 HydrophobicContact CB-CE2 3.72Å; C590-F772 HydrophobicContact CB-CG 4.32Å; C590-F772 HydrophobicContact CB-CZ 4.4Å; C590-A773 CarbonylContact C-O 3.5Å; C590-A773 WeakPolarHBondContact CA-O 3.14Å; C590-A773 PolarHBondContact O-N 3.38Å
591	I	93.8	Very high	94.3	Very high	13 Å²	13	31.4 Å²	31.4	7%	0.067	15%	0.149	C	C	.	.	S	Bend	trans	-103	146.9	169.3	59.3	170.8	0	0	0	110.2	I556 I561 L564 R583 L589	I556-I591 HydrophobicContact CD1-CD1 4.15Å; I556-I591 HydrophobicContact CG1-CD1 4.47Å; I556-I591 HydrophobicContact CG2-CD1 4.37Å; I561-I591 HydrophobicContact CG2-CD1 3.96Å; L564-I591 HydrophobicContact CB-CD1 4.17Å; R583-I591 PolarHBondContact NH2-O 3.35Å; L589-I591 PolarHBondContact O-N 3.02Å
592	P	96.1	Very high	94.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.132	C	C	.	.			trans	-64.2	137.9	173.7	26.6	-33.9	0	0	0	110.9	Q562 G563 L564 M758 K761 I762 A773 S778	Q562-P592 WeakPolarHBondContact O-CD 3.48Å; G563-P592 VanDerWaalsContact CA-O 3.3Å; G563-P592 WeakPolarHBondContact CA-O 3.29Å; L564-P592 PolarHBondContact N-O 3.39Å; P592-M758 HydrophobicContact CB-SD 4.01Å; P592-M758 HydrophobicContact CG-SD 3.91Å; P592-K761 HydrophobicContact CB-CB 4.14Å; P592-I762 HydrophobicContact CG-CG1 3.62Å; P592-A773 HydrophobicContact CB-CB 4.45Å; P592-S778 CarbonylContact C-O 3.57Å; P592-S778 VanDerWaalsContact CA-O 3.28Å; P592-S778 WeakPolarHBondContact CA-O 3.33Å
593	F	97	Very high	94.6	Very high	3 Å²	3	28.3 Å²	28.3	1%	0.013	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	152.6	174.3	75	-96.7	0	0	0	112.5	L564 I566 G576 L579 M580 V595 W757 S778 G779 C780 V794	L564-F593 HydrophobicContact CB-CB 3.89Å; L564-F593 CarbonylContact O-C 3.57Å; L564-F593 WeakPolarHBondContact O-CA 3.46Å; L564-F593 WeakPolarHBondContact O-CB 3.26Å; I566-F593 HydrophobicContact CD1-CD2 4.2Å; G576-F593 WeakPolarHBondContact O-CZ 3.49Å; L579-F593 HydrophobicContact CB-CE1 4.06Å; L579-F593 HydrophobicContact CB-CZ 4.47Å; L579-F593 HydrophobicContact CD1-CD1 4.33Å; L579-F593 HydrophobicContact CD1-CG 4.44Å; M580-F593 HydrophobicContact CG-CE1 3.95Å; M580-F593 HydrophobicContact CG-CZ 3.81Å; M580-F593 HydrophobicContact SD-CE1 3.63Å; M580-F593 HydrophobicContact SD-CZ 3.94Å; F593-V595 HydrophobicContact CD2-CG2 4.33Å; F593-V595 HydrophobicContact CE2-CG2 4.23Å; F593-W757 WeakPolarHBondContact O-CH2 3.47Å; F593-S778 PolarHBondContact N-O 3.4Å; F593-G779 VanDerWaalsContact CZ-CA 3.49Å; F593-G779 WeakPolarHBondContact O-CA 3.44Å; F593-C780 PolarHBondContact O-N 2.98Å; F593-C780 VanDerWaalsContact O-N 3.16Å; F593-V794 HydrophobicContact CE2-CG1 4.05Å; F593-V794 HydrophobicContact CZ-CG1 4.39Å; F593-V794 HydrophobicContact CZ-CG2 4.06Å
594	V	97.7	Very high	94.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	133.3	175.1	61	0	0	0	0	111.2	L564 V565 I566 A754 W757 M758 C780 L782 F791	L564-V594 PolarHBondContact O-N 3.2Å; V565-V594 HydrophobicContact CB-CG1 4.35Å; V565-V594 HydrophobicContact CG1-CG1 4.2Å; V565-V594 HydrophobicContact CG2-CG1 3.93Å; I566-V594 PolarHBondContact N-O 2.78Å; V594-A754 HydrophobicContact CG1-CB 3.83Å; V594-A754 HydrophobicContact CG2-CB 4.49Å; V594-W757 HydrophobicContact CB-CE3 4.07Å; V594-W757 HydrophobicContact CB-CH2 4.48Å; V594-W757 HydrophobicContact CB-CZ3 3.74Å; V594-W757 HydrophobicContact CG1-CE3 4.42Å; V594-W757 HydrophobicContact CG1-CZ3 4.35Å; V594-M758 HydrophobicContact CB-CE 4.37Å; V594-M758 HydrophobicContact CG1-CE 3.72Å; V594-C780 CarbonylContact C-O 3.56Å; V594-C780 VanDerWaalsContact CA-O 3.29Å; V594-C780 WeakPolarHBondContact CA-O 3.02Å; V594-L782 HydrophobicContact CG2-CB 3.73Å; V594-F791 HydrophobicContact CG2-CD1 4.13Å; V594-F791 HydrophobicContact CG2-CE1 3.97Å
595	V	98.1	Very high	94.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.4	173.2	-177.8	0	0	0	0	109.3	I566 A572 F593 C780 V781 L782	I566-V595 HydrophobicContact CB-CG2 4.37Å; I566-V595 HydrophobicContact CD1-CG2 4.45Å; I566-V595 CarbonylContact O-C 3.58Å; I566-V595 VanDerWaalsContact O-CA 3.27Å; I566-V595 WeakPolarHBondContact O-CA 3.13Å; A572-V595 HydrophobicContact CB-CG1 3.91Å; F593-V595 HydrophobicContact CD2-CG2 4.33Å; F593-V595 HydrophobicContact CE2-CG2 4.23Å; V595-C780 PolarHBondContact N-O 3.32Å; V595-V781 HydrophobicContact CB-CG2 4.25Å; V595-V781 WeakPolarHBondContact O-CA 3.4Å; V595-L782 PolarHBondContact O-N 3.24Å
596	I	98.1	Very high	94.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	113.7	169.8	-64.1	173.6	0	0	0	107.9	V565 I566 I567 G568 A598 M750 A754	V565-I596 HydrophobicContact CG1-CD1 3.95Å; I566-I596 PolarHBondContact O-N 3.12Å; I567-I596 HydrophobicContact CG1-CB 4.08Å; I567-I596 HydrophobicContact CG1-CD1 4.01Å; I567-I596 HydrophobicContact CG1-CG1 4.49Å; G568-I596 PolarHBondContact N-O 3.09Å; I596-A598 PolarHBondContact O-N 2.91Å; I596-M750 HydrophobicContact CD1-CB 4.38Å; I596-M750 HydrophobicContact CG2-CB 3.87Å; I596-M750 HydrophobicContact CG2-CE 4.35Å; I596-M750 HydrophobicContact CG2-CG 4.47Å; I596-A754 HydrophobicContact CD1-CB 3.78Å; I596-A754 HydrophobicContact CG1-CB 4.23Å
597	P	97.7	Very high	94.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	116	177.5	-27.5	37.4	0	0	0	112.8	G568 V604 S610 V611 V781 L782	G568-P597 CarbonylContact O-C 3.57Å; G568-P597 WeakPolarHBondContact O-CA 3.35Å; P597-V604 HydrophobicContact CB-CB 3.98Å; P597-V604 HydrophobicContact CB-CG1 4Å; P597-V604 HydrophobicContact CB-CG2 4.28Å; P597-V604 HydrophobicContact CG-CB 4.38Å; P597-V604 HydrophobicContact CG-CG1 3.91Å; P597-S610 WeakPolarHBondContact O-CA 3.29Å; P597-V611 PolarHBondContact O-N 2.78Å; P597-V781 HydrophobicContact CG-CG1 3.64Å; P597-L782 WeakPolarHBondContact CD-O 3.24Å
598	A	97.5	Very high	94.9	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.053	C	C	.	.	B	Isolated β-bridge	trans	-139	103	177.3	0	0	0	0	0	110.5	M486 I567 G568 G569 I596 V611	M486-A598 HydrophobicContact CE-CB 3.77Å; M486-A598 HydrophobicContact CG-CB 3.89Å; I567-A598 HydrophobicContact CG2-CB 3.73Å; G568-A598 CarbonylContact C-O 3.53Å; G568-A598 PolarHBondContact O-N 3.47Å; G569-A598 WeakPolarHBondContact CA-O 3.5Å; G569-A598 PolarHBondContact N-O 3.35Å; I596-A598 PolarHBondContact O-N 2.91Å; A598-V611 CarbonylContact C-O 3.46Å; A598-V611 VanDerWaalsContact CA-O 3.3Å; A598-V611 WeakPolarHBondContact CA-O 3.45Å; A598-V611 HydrophobicContact CB-CB 3.92Å; A598-V611 HydrophobicContact CB-CG1 4.49Å
599	T	96.8	Very high	95.1	Very high	14 Å²	14	7.1 Å²	7.1	9%	0.086	4%	0.041	C	C	.	.			trans	-163.5	147.9	-178.7	175.8	0	0	0	0	109.2	S601 N603 V604 S610 V611	T599-S601 VanDerWaalsContact C-N 3.3Å; T599-S601 PolarHBondContact OG1-N 2.79Å; T599-N603 PolarHBondContact OG1-OD1 3.26Å; T599-V604 HydrophobicContact CG2-CG2 3.84Å; T599-S610 VanDerWaalsContact CG2-OG 3.29Å; T599-S610 WeakPolarHBondContact CG2-OG 3.26Å; T599-S610 PolarHBondContact O-OG 3.08Å; T599-V611 PolarHBondContact N-O 3.4Å
600	V	96.2	Very high	95.3	Very high	9 Å²	9	7 Å²	7	6%	0.055	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-30.5	172.3	-61.2	0	0	0	0	112.1	N602 A616 L651 Q735	V600-N602 VanDerWaalsContact C-N 3.3Å; V600-N602 PolarHBondContact O-N 2.81Å; V600-A616 HydrophobicContact CB-CB 3.76Å; V600-A616 HydrophobicContact CG1-CB 3.88Å; V600-L651 HydrophobicContact CB-CD1 4.34Å; V600-L651 HydrophobicContact CG2-CD1 4.44Å; V600-L651 WeakPolarHBondContact O-CD1 3.43Å; V600-L651 WeakPolarHBondContact O-CD2 3.37Å; V600-L651 WeakPolarHBondContact O-CG 3.42Å; V600-Q735 HydrophobicContact CG1-CG 4.34Å
601	S	95.7	Very high	95.5	Very high	15 Å²	15	7 Å²	7	11%	0.105	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-12.9	-171	-52	0	0	0	0	114.8	T599 N603 G645 C648	T599-S601 VanDerWaalsContact C-N 3.3Å; T599-S601 PolarHBondContact OG1-N 2.79Å; S601-N603 VanDerWaalsContact C-N 3.27Å; S601-N603 PolarHBondContact O-N 3.17Å; S601-G645 WeakPolarHBondContact CB-O 3.46Å; S601-G645 WeakPolarHBondContact OG-CA 3.32Å; S601-G645 PolarHBondContact OG-O 3.31Å; S601-C648 PolarHBondContact O-SG 3.28Å
602	N	96.3	Very high	95.7	Very high	8 Å²	8	6.3 Å²	6.3	4%	0.043	4%	0.038	C	C	.	.			trans	49.8	43.2	-171.6	-156.4	32	0	0	0	114.1	V600 D608 F609 S610 A613 Y650	V600-N602 VanDerWaalsContact C-N 3.3Å; V600-N602 PolarHBondContact O-N 2.81Å; N602-D608 PolarHBondContact ND2-O 3.15Å; N602-F609 VanDerWaalsContact OD1-C 3.27Å; N602-F609 VanDerWaalsContact OD1-CA 3.25Å; N602-F609 WeakPolarHBondContact OD1-CA 3.32Å; N602-S610 WeakPolarHBondContact CA-OG 3.34Å; N602-S610 PolarHBondContact OD1-N 2.91Å; N602-S610 PolarHBondContact OD1-OG 3.16Å; N602-A613 HydrophobicContact CB-CB 4.16Å; N602-Y650 HydrophobicContact CB-CD1 3.46Å; N602-Y650 VanDerWaalsContact CB-CD1 3.46Å; N602-Y650 HydrophobicContact CB-CD2 4.26Å; N602-Y650 HydrophobicContact CB-CE1 3.84Å; N602-Y650 HydrophobicContact CB-CG 3.7Å; N602-Y650 WeakPolarHBondContact ND2-CE2 3.49Å
603	N	95.6	Very high	95.7	Very high	11 Å²	11	6.4 Å²	6.4	6%	0.059	4%	0.038	C	C	.	.			trans	-109.9	15.7	-171.4	75.4	-50.3	0	0	0	114.5	T599 S601 C648 R806 I807	T599-N603 PolarHBondContact OG1-OD1 3.26Å; S601-N603 VanDerWaalsContact C-N 3.27Å; S601-N603 PolarHBondContact O-N 3.17Å; N603-C648 HydrophobicContact CB-CB 3.81Å; N603-R806 PolarHBondContact ND2-O 3.45Å; N603-I807 HydrophobicContact CB-CG2 4.37Å
604	V	95.1	Very high	95.7	Very high	2 Å²	2	6.8 Å²	6.8	1%	0.012	4%	0.04	C	C	.	.			trans	-92	123.5	-179.9	-179.4	0	0	0	0	109.8	P597 T599	P597-V604 HydrophobicContact CB-CB 3.98Å; P597-V604 HydrophobicContact CB-CG1 4Å; P597-V604 HydrophobicContact CB-CG2 4.28Å; P597-V604 HydrophobicContact CG-CB 4.38Å; P597-V604 HydrophobicContact CG-CG1 3.91Å; T599-V604 HydrophobicContact CG2-CG2 3.84Å
605	P	93.8	Very high	95.7	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	149.4	176.4	-27	36.4	0	0	0	113.5	F570 Y573 L797 T801 P808	F570-P605 HydrophobicContact CE2-CG 4.35Å; Y573-P605 HydrophobicContact CD1-CG 4.21Å; Y573-P605 HydrophobicContact CE1-CB 4.41Å; Y573-P605 HydrophobicContact CE1-CG 3.77Å; P605-L797 HydrophobicContact CB-CB 4.27Å; P605-T801 HydrophobicContact CG-CG2 4.01Å; P605-T801 WeakPolarHBondContact CG-OG1 3.01Å; P605-P808 HydrophobicContact CG-CG 4.45Å
606	G	90.3	Very high	95.6	Very high	7 Å²	7	6.9 Å²	6.9	7%	0.072	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	84	-0.4	175.9	0	0	0	0	0	116	Q792	G606-Q792 PolarHBondContact O-NE2 3.34Å
607	S	92.4	Very high	95.6	Very high	13 Å²	13	7.1 Å²	7.1	9%	0.091	4%	0.042	C	C	.	.			trans	-136.3	132.7	176.3	-159.1	0	0	0	0	112.5	F609 G783 M784	S607-F609 WeakPolarHBondContact CB-O 3.2Å; S607-F609 PolarHBondContact O-N 2.97Å; S607-F609 PolarHBondContact OG-O 2.96Å; S607-G783 WeakPolarHBondContact OG-CA 3.37Å; S607-M784 CarbonylContact C-O 3.54Å; S607-M784 WeakPolarHBondContact CA-O 3.25Å; S607-M784 PolarHBondContact OG-N 3.04Å
608	D	91.9	Very high	95.5	Very high	28 Å²	28	7.8 Å²	7.8	15%	0.15	5%	0.046	C	C	.	.	S	Bend	trans	-67.7	-27.3	173.7	-68.4	-22.7	0	0	0	112	N602 M784 R785 K786 W812	N602-D608 PolarHBondContact ND2-O 3.15Å; D608-M784 WeakPolarHBondContact CB-O 3.31Å; D608-M784 PolarHBondContact N-O 3.01Å; D608-R785 WeakPolarHBondContact OD2-CA 3.49Å; D608-K786 PolarHBondContact OD2-N 2.89Å; D608-W812 PolarHBondContact O-NE1 2.99Å
609	F	93.5	Very high	95.5	Very high	21 Å²	21	9.5 Å²	9.5	9%	0.092	6%	0.056	C	C	.	.			trans	-137.5	144.4	-179.8	-62	-82	0	0	0	111.4	N412 N602 S607 F746 M784 W812	N412-F609 HydrophobicContact CB-CE2 4.12Å; N602-F609 VanDerWaalsContact OD1-C 3.27Å; N602-F609 VanDerWaalsContact OD1-CA 3.25Å; N602-F609 WeakPolarHBondContact OD1-CA 3.32Å; S607-F609 WeakPolarHBondContact CB-O 3.2Å; S607-F609 PolarHBondContact O-N 2.97Å; S607-F609 PolarHBondContact OG-O 2.96Å; F609-F746 HydrophobicContact CB-CE1 4.42Å; F609-F746 HydrophobicContact CB-CZ 4.38Å; F609-M784 HydrophobicContact CD2-CE 3.69Å; F609-M784 HydrophobicContact CD2-SD 3.95Å; F609-M784 HydrophobicContact CE2-CE 3.69Å; F609-W812 HydrophobicContact CE1-CH2 4.28Å; F609-W812 AromaticContact CE1-CZ2 3.75Å; F609-W812 HydrophobicContact CE1-CZ2 3.75Å; F609-W812 HydrophobicContact CE2-CZ2 4.39Å; F609-W812 HydrophobicContact CZ-CH2 4.04Å; F609-W812 AromaticContact CZ-CZ2 3.66Å; F609-W812 HydrophobicContact CZ-CZ2 3.66Å
610	S	95.9	Very high	95.5	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.014	5%	0.052	C	C	.	.			trans	-121.2	148	170.5	58.9	0	0	0	0	111.4	P597 T599 N602 G612 A613	P597-S610 WeakPolarHBondContact O-CA 3.29Å; T599-S610 VanDerWaalsContact CG2-OG 3.29Å; T599-S610 WeakPolarHBondContact CG2-OG 3.26Å; T599-S610 PolarHBondContact O-OG 3.08Å; N602-S610 WeakPolarHBondContact CA-OG 3.34Å; N602-S610 PolarHBondContact OD1-N 2.91Å; N602-S610 PolarHBondContact OD1-OG 3.16Å; S610-G612 PolarHBondContact O-N 2.85Å; S610-A613 VanDerWaalsContact O-CB 3.29Å; S610-A613 WeakPolarHBondContact O-CB 3.44Å; S610-A613 PolarHBondContact O-N 3.45Å; S610-A613 VanDerWaalsContact O-N 3.17Å
611	V	97.1	Very high	95.4	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.05	C	C	.	.	B	Isolated β-bridge	trans	-58.8	126.4	177.8	176	0	0	0	0	110.2	A483 A484 G485 P597 A598 T599 F746 A747	A483-V611 WeakPolarHBondContact CB-O 3.36Å; A484-V611 WeakPolarHBondContact O-CG1 3.45Å; G485-V611 VanDerWaalsContact C-CG1 3.48Å; P597-V611 PolarHBondContact O-N 2.78Å; A598-V611 CarbonylContact C-O 3.46Å; A598-V611 VanDerWaalsContact CA-O 3.3Å; A598-V611 WeakPolarHBondContact CA-O 3.45Å; A598-V611 HydrophobicContact CB-CB 3.92Å; A598-V611 HydrophobicContact CB-CG1 4.49Å; T599-V611 PolarHBondContact N-O 3.4Å; V611-F746 HydrophobicContact CG2-CD1 3.79Å; V611-F746 HydrophobicContact CG2-CE1 4.14Å; V611-A747 HydrophobicContact CG1-CB 3.8Å; V611-A747 HydrophobicContact CG2-CB 3.89Å
612	G	96.3	Very high	95.4	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.5	-9.5	179.9	0	0	0	0	0	114.6	A484 S610 A616 D743	A484-G612 WeakPolarHBondContact O-CA 3.46Å; A484-G612 PolarHBondContact O-N 3.12Å; S610-G612 PolarHBondContact O-N 2.85Å; G612-A616 WeakPolarHBondContact O-CB 3.48Å; G612-A616 PolarHBondContact O-N 3.15Å; G612-A616 VanDerWaalsContact O-N 3.08Å; G612-D743 WeakPolarHBondContact CA-OD2 3.29Å; G612-D743 PolarHBondContact N-OD1 3.47Å; G612-D743 PolarHBondContact N-OD2 3.2Å
613	A	96.6	Very high	95.3	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.008	7%	0.067	C	C	.	.	H	α-helix	trans	-70.2	-36.1	179.3	0	0	0	0	0	112.3	N602 S610 L617 Y650	N602-A613 HydrophobicContact CB-CB 4.16Å; S610-A613 VanDerWaalsContact O-CB 3.29Å; S610-A613 WeakPolarHBondContact O-CB 3.44Å; S610-A613 PolarHBondContact O-N 3.45Å; S610-A613 VanDerWaalsContact O-N 3.17Å; A613-L617 VanDerWaalsContact O-CB 3.26Å; A613-L617 WeakPolarHBondContact O-CB 3.14Å; A613-L617 PolarHBondContact O-N 2.96Å; A613-Y650 HydrophobicContact CB-CE1 4.05Å
614	D	97.1	Very high	95.2	Very high	11 Å²	11	10.8 Å²	10.8	6%	0.059	6%	0.064	C	C	.	.	H	α-helix	trans	-72.3	-39.3	176.6	176.4	71.6	0	0	0	112	A616 L617 N618 T740 F742	D614-A616 VanDerWaalsContact C-N 3.32Å; D614-A616 PolarHBondContact O-N 3Å; D614-L617 PolarHBondContact O-N 2.99Å; D614-N618 VanDerWaalsContact CG-ND2 3.34Å; D614-N618 WeakPolarHBondContact O-CB 3.45Å; D614-N618 PolarHBondContact O-N 3.47Å; D614-N618 PolarHBondContact O-ND2 2.88Å; D614-N618 PolarHBondContact OD1-ND2 3.42Å; D614-N618 VanDerWaalsContact OD1-ND2 3.08Å; D614-N618 PolarHBondContact OD2-ND2 3.38Å; D614-N618 VanDerWaalsContact OD2-ND2 3.1Å; D614-T740 WeakPolarHBondContact OD2-CB 3.3Å; D614-T740 WeakPolarHBondContact OD2-CG2 3.34Å; D614-T740 PolarHBondContact OD2-OG1 2.8Å; D614-F742 HydrophobicContact CB-CB 4.43Å; D614-F742 HydrophobicContact CB-CD1 3.81Å; D614-F742 HydrophobicContact CB-CG 4.38Å
615	T	97.3	Very high	95.2	Very high	3 Å²	3	11.7 Å²	11.7	2%	0.018	7%	0.069	C	C	.	.	H	α-helix	trans	-61.2	-41.6	173.3	-55.8	0	0	0	0	111.8	A484 T619 P739 T740 D743	A484-T615 HydrophobicContact CB-CG2 3.67Å; T615-T619 WeakPolarHBondContact O-CB 3.25Å; T615-T619 PolarHBondContact O-N 3.07Å; T615-T619 VanDerWaalsContact O-N 3.11Å; T615-T619 PolarHBondContact O-OG1 3.35Å; T615-P739 WeakPolarHBondContact OG1-CA 3.4Å; T615-T740 HydrophobicContact CG2-CG2 4.29Å; T615-T740 PolarHBondContact OG1-N 3.01Å; T615-T740 PolarHBondContact OG1-OG1 3.48Å; T615-D743 VanDerWaalsContact CB-OD2 3.29Å; T615-D743 WeakPolarHBondContact CB-OD2 3.3Å; T615-D743 PolarHBondContact N-OD2 3.26Å; T615-D743 PolarHBondContact OG1-OD2 3.31Å
616	A	97.2	Very high	95.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.3	-48.5	174	0	0	0	0	0	111.8	V600 G612 D614 N618 T619 I620 L651 Q734	V600-A616 HydrophobicContact CB-CB 3.76Å; V600-A616 HydrophobicContact CG1-CB 3.88Å; G612-A616 WeakPolarHBondContact O-CB 3.48Å; G612-A616 PolarHBondContact O-N 3.15Å; G612-A616 VanDerWaalsContact O-N 3.08Å; D614-A616 VanDerWaalsContact C-N 3.32Å; D614-A616 PolarHBondContact O-N 3Å; A616-N618 PolarHBondContact O-N 3.14Å; A616-T619 WeakPolarHBondContact O-CB 3.4Å; A616-T619 PolarHBondContact O-N 2.94Å; A616-T619 VanDerWaalsContact O-N 3.12Å; A616-I620 VanDerWaalsContact O-CG1 3.32Å; A616-I620 WeakPolarHBondContact O-CG1 3.27Å; A616-I620 PolarHBondContact O-N 3.22Å; A616-L651 HydrophobicContact CB-CD1 4.37Å; A616-L651 HydrophobicContact CB-CD2 3.88Å; A616-Q734 WeakPolarHBondContact CA-O 3.05Å; A616-Q734 WeakPolarHBondContact CB-O 3.27Å
617	L	96.6	Very high	95.1	Very high	4 Å²	4	20.3 Å²	20.3	2%	0.021	10%	0.101	C	C	.	.	H	α-helix	trans	-59.7	-45.7	180	179	60.7	0	0	0	112.7	A378 I382 A613 D614 T619 I620 C621 M654 A655	A378-L617 HydrophobicContact CB-CD1 4.45Å; A378-L617 HydrophobicContact CB-CD2 4.06Å; A378-L617 HydrophobicContact CB-CG 3.66Å; I382-L617 HydrophobicContact CD1-CD2 3.78Å; A613-L617 VanDerWaalsContact O-CB 3.26Å; A613-L617 WeakPolarHBondContact O-CB 3.14Å; A613-L617 PolarHBondContact O-N 2.96Å; D614-L617 PolarHBondContact O-N 2.99Å; L617-T619 VanDerWaalsContact C-N 3.31Å; L617-T619 PolarHBondContact O-N 3.46Å; L617-I620 PolarHBondContact O-N 3.09Å; L617-C621 VanDerWaalsContact O-CB 3.28Å; L617-C621 WeakPolarHBondContact O-CB 3.31Å; L617-C621 PolarHBondContact O-N 2.93Å; L617-M654 HydrophobicContact CD1-CB 3.78Å; L617-M654 HydrophobicContact CD2-CB 4.1Å; L617-A655 HydrophobicContact CD1-CB 3.81Å; L617-A655 VanDerWaalsContact CD1-N 3.26Å
618	N	97.3	Very high	95	Very high	14 Å²	14	20.7 Å²	20.7	8%	0.075	10%	0.1	C	C	.	.	H	α-helix	trans	-62.5	-36.5	174.5	-84.6	-75	0	0	0	112.3	S377 A378 D614 A616 C621 T622 T740	S377-N618 WeakPolarHBondContact CA-OD1 3.45Å; A378-N618 PolarHBondContact N-OD1 2.87Å; D614-N618 VanDerWaalsContact CG-ND2 3.34Å; D614-N618 WeakPolarHBondContact O-CB 3.45Å; D614-N618 PolarHBondContact O-N 3.47Å; D614-N618 PolarHBondContact O-ND2 2.88Å; D614-N618 PolarHBondContact OD1-ND2 3.42Å; D614-N618 VanDerWaalsContact OD1-ND2 3.08Å; D614-N618 PolarHBondContact OD2-ND2 3.38Å; D614-N618 VanDerWaalsContact OD2-ND2 3.1Å; A616-N618 PolarHBondContact O-N 3.14Å; N618-C621 PolarHBondContact O-N 2.96Å; N618-T622 WeakPolarHBondContact O-CB 3.44Å; N618-T622 PolarHBondContact O-N 2.65Å; N618-T622 PolarHBondContact O-OG1 3.42Å; N618-T740 HydrophobicContact CB-CG2 4.26Å
619	T	96.3	Very high	94.8	Very high	36 Å²	36	26.3 Å²	26.3	22%	0.221	13%	0.126	C	C	.	.	H	α-helix	trans	-69.5	-41.9	177.9	-55.4	0	0	0	0	111.9	T615 A616 L617 T623 M733	T615-T619 WeakPolarHBondContact O-CB 3.25Å; T615-T619 PolarHBondContact O-N 3.07Å; T615-T619 VanDerWaalsContact O-N 3.11Å; T615-T619 PolarHBondContact O-OG1 3.35Å; A616-T619 WeakPolarHBondContact O-CB 3.4Å; A616-T619 PolarHBondContact O-N 2.94Å; A616-T619 VanDerWaalsContact O-N 3.12Å; L617-T619 VanDerWaalsContact C-N 3.31Å; L617-T619 PolarHBondContact O-N 3.46Å; T619-T623 WeakPolarHBondContact O-CB 3.42Å; T619-T623 PolarHBondContact O-N 2.87Å; T619-T623 VanDerWaalsContact O-N 3.12Å; T619-T623 PolarHBondContact O-OG1 3.4Å; T619-M733 WeakPolarHBondContact CG2-O 3.17Å
620	I	96.4	Very high	94.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.6	-49.8	172.9	-61.1	161.4	0	0	0	109.6	A616 L617 T622 T623 C624 T643 L651 A655 L697 L730 Q734	A616-I620 VanDerWaalsContact O-CG1 3.32Å; A616-I620 WeakPolarHBondContact O-CG1 3.27Å; A616-I620 PolarHBondContact O-N 3.22Å; L617-I620 PolarHBondContact O-N 3.09Å; I620-T622 PolarHBondContact O-N 2.92Å; I620-T623 CarbonylContact O-C 3.59Å; I620-T623 PolarHBondContact O-N 3.06Å; I620-C624 PolarHBondContact O-N 3.45Å; I620-C624 PolarHBondContact O-SG 3.36Å; I620-T643 HydrophobicContact CD1-CG2 4.1Å; I620-T643 HydrophobicContact CG1-CG2 4.48Å; I620-T643 HydrophobicContact CG2-CG2 3.98Å; I620-L651 HydrophobicContact CD1-CB 3.89Å; I620-L651 HydrophobicContact CD1-CD1 4.22Å; I620-L651 HydrophobicContact CD1-CD2 4.01Å; I620-L651 HydrophobicContact CD1-CG 4.26Å; I620-A655 HydrophobicContact CB-CB 4.08Å; I620-A655 HydrophobicContact CG2-CB 3.45Å; I620-A655 VanDerWaalsContact CG2-CB 3.45Å; I620-L697 HydrophobicContact CG2-CD2 4.23Å; I620-L730 HydrophobicContact CB-CD1 4.21Å; I620-L730 HydrophobicContact CG1-CD1 3.91Å; I620-L730 HydrophobicContact CG2-CD1 3.88Å; I620-Q734 HydrophobicContact CD1-CG 4.28Å; I620-Q734 HydrophobicContact CG1-CG 3.79Å
621	C	95.2	Very high	93.9	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.014	14%	0.142	C	C	.	.	H	α-helix	trans	-58.3	-48.3	-178.3	-163.1	0	0	0	0	112.1	A378 R381 L617 N618 T623 C624 D625	A378-C621 HydrophobicContact CB-CB 4.03Å; R381-C621 PolarHBondContact NH1-SG 2.73Å; L617-C621 VanDerWaalsContact O-CB 3.28Å; L617-C621 WeakPolarHBondContact O-CB 3.31Å; L617-C621 PolarHBondContact O-N 2.93Å; N618-C621 PolarHBondContact O-N 2.96Å; C621-T623 VanDerWaalsContact C-N 3.26Å; C621-T623 PolarHBondContact O-N 2.97Å; C621-C624 WeakPolarHBondContact O-CB 3.42Å; C621-C624 PolarHBondContact O-N 2.64Å; C621-D625 PolarHBondContact O-N 3.07Å
622	T	94.4	Very high	93.1	Very high	57 Å²	57	30.3 Å²	30.3	35%	0.35	16%	0.159	S	C	.	.	H	α-helix	trans	-59	-36.7	174.9	-55.2	0	0	0	0	112.3	N618 I620 D625 R626	N618-T622 WeakPolarHBondContact O-CB 3.44Å; N618-T622 PolarHBondContact O-N 2.65Å; N618-T622 PolarHBondContact O-OG1 3.42Å; I620-T622 PolarHBondContact O-N 2.92Å; T622-D625 PolarHBondContact O-N 2.91Å; T622-R626 WeakPolarHBondContact O-CG 3.41Å; T622-R626 PolarHBondContact O-N 2.86Å
623	T	94.9	Very high	92.3	Very high	25 Å²	25	33.3 Å²	33.3	15%	0.153	19%	0.19	C	C	.	.	H	α-helix	trans	-73.2	-40.4	178.3	-53.9	0	0	0	0	111.5	T619 I620 C621 D625 R626 I627 L730	T619-T623 WeakPolarHBondContact O-CB 3.42Å; T619-T623 PolarHBondContact O-N 2.87Å; T619-T623 VanDerWaalsContact O-N 3.12Å; T619-T623 PolarHBondContact O-OG1 3.4Å; I620-T623 CarbonylContact O-C 3.59Å; I620-T623 PolarHBondContact O-N 3.06Å; C621-T623 VanDerWaalsContact C-N 3.26Å; C621-T623 PolarHBondContact O-N 2.97Å; T623-D625 VanDerWaalsContact C-N 3.3Å; T623-D625 PolarHBondContact O-N 2.64Å; T623-R626 PolarHBondContact O-N 3.34Å; T623-I627 HydrophobicContact CG2-CD1 3.87Å; T623-I627 WeakPolarHBondContact O-CB 3.47Å; T623-I627 WeakPolarHBondContact O-CD1 3.26Å; T623-I627 VanDerWaalsContact O-CG1 3.29Å; T623-I627 WeakPolarHBondContact O-CG1 3.32Å; T623-I627 PolarHBondContact O-N 3.3Å; T623-L730 HydrophobicContact CG2-CD2 3.54Å
624	C	94.7	Very high	91.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-56.9	-41.1	170.8	-69.3	0	0	0	0	111.9	I620 C621 I627 K628 A659 L695	I620-C624 PolarHBondContact O-N 3.45Å; I620-C624 PolarHBondContact O-SG 3.36Å; C621-C624 WeakPolarHBondContact O-CB 3.42Å; C621-C624 PolarHBondContact O-N 2.64Å; C624-I627 PolarHBondContact O-N 3.48Å; C624-K628 WeakPolarHBondContact O-CB 3.37Å; C624-K628 VanDerWaalsContact O-CG 3.26Å; C624-K628 WeakPolarHBondContact O-CG 3.49Å; C624-K628 PolarHBondContact O-N 2.74Å; C624-A659 HydrophobicContact CB-CB 3.71Å; C624-L695 HydrophobicContact CB-CD2 4.12Å
625	D	93.2	Very high	90.7	Very high	21 Å²	21	43.5 Å²	43.5	11%	0.112	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-46.7	178.5	-68.5	-19.5	0	0	0	112.2	Q149 R381 C621 T622 T623 I627 K628 Q629	Q149-D625 HydrophobicContact CB-CB 4.43Å; Q149-D625 WeakPolarHBondContact CB-OD1 3.46Å; Q149-D625 WeakPolarHBondContact CB-OD2 3.29Å; R381-D625 IonicContact CZ-OD2 3.76Å; R381-D625 VanDerWaalsContact NH1-CG 3.28Å; R381-D625 IonicContact NH1-OD1 3.62Å; R381-D625 PolarHBondContact NH1-OD1 2.84Å; R381-D625 IonicContact NH1-OD2 2.87Å; R381-D625 PolarHBondContact NH1-OD2 2.77Å; R381-D625 IonicContact NH2-OD2 2.67Å; R381-D625 PolarHBondContact NH2-OD2 2.85Å; C621-D625 PolarHBondContact O-N 3.07Å; T622-D625 PolarHBondContact O-N 2.91Å; T623-D625 VanDerWaalsContact C-N 3.3Å; T623-D625 PolarHBondContact O-N 2.64Å; D625-I627 VanDerWaalsContact C-N 3.29Å; D625-I627 PolarHBondContact O-N 3.46Å; D625-K628 WeakPolarHBondContact O-CB 3.4Å; D625-K628 PolarHBondContact O-N 2.67Å; D625-Q629 PolarHBondContact O-N 3.34Å
626	R	92.5	Very high	90.3	Very high	172 Å²	172	49.2 Å²	49.2	65%	0.649	26%	0.262	S	S	*	.	H	α-helix	trans	-59.2	-41.3	175	-67.7	171.2	-176.8	-179.7	1.6	111.6	T622 T623 Q629 S630	T622-R626 WeakPolarHBondContact O-CG 3.41Å; T622-R626 PolarHBondContact O-N 2.86Å; T623-R626 PolarHBondContact O-N 3.34Å; R626-Q629 PolarHBondContact O-N 2.98Å; R626-S630 PolarHBondContact O-N 2.94Å; R626-S630 VanDerWaalsContact O-N 3.1Å
627	I	91.3	Very high	90	Very high	17 Å²	17	50.9 Å²	50.9	9%	0.087	27%	0.268	C	S	.	.	H	α-helix	trans	-67.2	-41.2	176.5	-72	165.4	0	0	0	111.3	T623 C624 D625 Q629 S630 A631 F639 I641	T623-I627 HydrophobicContact CG2-CD1 3.87Å; T623-I627 WeakPolarHBondContact O-CB 3.47Å; T623-I627 WeakPolarHBondContact O-CD1 3.26Å; T623-I627 VanDerWaalsContact O-CG1 3.29Å; T623-I627 WeakPolarHBondContact O-CG1 3.32Å; T623-I627 PolarHBondContact O-N 3.3Å; C624-I627 PolarHBondContact O-N 3.48Å; D625-I627 VanDerWaalsContact C-N 3.29Å; D625-I627 PolarHBondContact O-N 3.46Å; I627-Q629 VanDerWaalsContact C-N 3.32Å; I627-Q629 PolarHBondContact O-N 3.1Å; I627-S630 WeakPolarHBondContact O-CB 3.05Å; I627-S630 PolarHBondContact O-N 2.82Å; I627-A631 PolarHBondContact O-N 3.06Å; I627-F639 HydrophobicContact CG2-CB 3.59Å; I627-F639 HydrophobicContact CG2-CD1 3.44Å; I627-F639 VanDerWaalsContact CG2-CD1 3.44Å; I627-F639 HydrophobicContact CG2-CD2 3.47Å; I627-F639 VanDerWaalsContact CG2-CD2 3.47Å; I627-F639 HydrophobicContact CG2-CE1 3.86Å; I627-F639 HydrophobicContact CG2-CE2 3.88Å; I627-F639 HydrophobicContact CG2-CG 3.21Å; I627-F639 HydrophobicContact CG2-CZ 4.06Å; I627-I641 HydrophobicContact CD1-CD1 3.47Å; I627-I641 VanDerWaalsContact CD1-CD1 3.47Å; I627-I641 HydrophobicContact CD1-CG1 4.2Å; I627-I641 HydrophobicContact CG2-CD1 4.34Å
628	K	88.9	Confident	89.9	Confident	20 Å²	20	50.7 Å²	50.7	9%	0.087	27%	0.267	C	S	.	.	H	α-helix	trans	-62.8	-37.4	174.6	-78	175.5	177.2	-136.1	0	112.5	M146 C624 D625 A631 A632 A659 G660 L695	M146-K628 HydrophobicContact CE-CB 4.33Å; C624-K628 WeakPolarHBondContact O-CB 3.37Å; C624-K628 VanDerWaalsContact O-CG 3.26Å; C624-K628 WeakPolarHBondContact O-CG 3.49Å; C624-K628 PolarHBondContact O-N 2.74Å; D625-K628 WeakPolarHBondContact O-CB 3.4Å; D625-K628 PolarHBondContact O-N 2.67Å; K628-A631 PolarHBondContact O-N 3.14Å; K628-A632 WeakPolarHBondContact O-CB 3.3Å; K628-A632 PolarHBondContact O-N 3.19Å; K628-A659 WeakPolarHBondContact CE-O 3.04Å; K628-A659 PolarHBondContact NZ-O 3.28Å; K628-G660 PolarHBondContact NZ-O 3.3Å; K628-L695 HydrophobicContact CD-CD2 4.44Å
629	Q	87.4	Confident	89.8	Confident	146 Å²	146	51 Å²	51	68%	0.682	27%	0.269	S	S	*	.	H	α-helix	trans	-63.4	-44.5	173.5	-170	178.3	6.5	0	0	111.1	D625 R626 I627 A632 G633	D625-Q629 PolarHBondContact O-N 3.34Å; R626-Q629 PolarHBondContact O-N 2.98Å; I627-Q629 VanDerWaalsContact C-N 3.32Å; I627-Q629 PolarHBondContact O-N 3.1Å; Q629-A632 PolarHBondContact O-N 2.66Å; Q629-G633 PolarHBondContact O-N 2.99Å
630	S	87.3	Confident	89.8	Confident	61 Å²	61	49.3 Å²	49.3	43%	0.427	26%	0.258	S	S	.	.	H	α-helix	trans	-60.4	-45	172.9	-176.1	0	0	0	0	112.5	R626 I627 A632 G633 T634	R626-S630 PolarHBondContact O-N 2.94Å; R626-S630 VanDerWaalsContact O-N 3.1Å; I627-S630 WeakPolarHBondContact O-CB 3.05Å; I627-S630 PolarHBondContact O-N 2.82Å; S630-A632 VanDerWaalsContact C-N 3.33Å; S630-A632 PolarHBondContact O-N 3.17Å; S630-G633 PolarHBondContact O-N 2.95Å; S630-T634 PolarHBondContact O-N 3.45Å
631	A	83.6	Confident	89.8	Confident	2 Å²	2	49.3 Å²	49.3	2%	0.017	26%	0.258	C	S	.	.	H	α-helix	trans	-60.8	-40.2	177	0	0	0	0	0	112.7	I627 K628 G633 K635 F639 R693	I627-A631 PolarHBondContact O-N 3.06Å; K628-A631 PolarHBondContact O-N 3.14Å; A631-G633 VanDerWaalsContact C-N 3.33Å; A631-G633 PolarHBondContact O-N 3.03Å; A631-K635 PolarHBondContact O-N 2.91Å; A631-F639 HydrophobicContact CB-CD2 3.9Å; A631-F639 HydrophobicContact CB-CE2 3.71Å; A631-R693 HydrophobicContact CB-CB 4.06Å
632	A	79.9	Confident	89.9	Confident	44 Å²	44	50.9 Å²	50.9	36%	0.364	27%	0.265	S	S	.	.	H	α-helix	trans	-65.3	-35.1	178	0	0	0	0	0	112.6	M146 K628 Q629 S630	M146-A632 HydrophobicContact CE-CB 4.45Å; K628-A632 WeakPolarHBondContact O-CB 3.3Å; K628-A632 PolarHBondContact O-N 3.19Å; Q629-A632 PolarHBondContact O-N 2.66Å; S630-A632 VanDerWaalsContact C-N 3.33Å; S630-A632 PolarHBondContact O-N 3.17Å
633	G	80.9	Confident	90.1	Very high	63 Å²	63	48.2 Å²	48.2	65%	0.649	25%	0.249	S	C	*	.	H	α-helix	trans	-66.4	-49.9	178.5	0	0	0	0	0	113.6	Q629 S630 A631	Q629-G633 PolarHBondContact O-N 2.99Å; S630-G633 PolarHBondContact O-N 2.95Å; A631-G633 VanDerWaalsContact C-N 3.33Å; A631-G633 PolarHBondContact O-N 3.03Å
634	T	79.5	Confident	90.1	Very high	85 Å²	85	48.1 Å²	48.1	52%	0.521	25%	0.247	S	C	.	.	H	α-helix	trans	-79.3	-23.2	-179.6	-45.1	0	0	0	0	113.4	S630 R637	S630-T634 PolarHBondContact O-N 3.45Å; T634-R637 PolarHBondContact OG1-NH1 2.85Å
635	K	80.9	Confident	90	Very high	141 Å²	141	48.1 Å²	48.1	61%	0.613	25%	0.247	S	C	*	.			trans	61.8	160.5	-170.7	-53.2	174.5	-172.6	174.1	0	112.5	A631 R637 K692	A631-K635 PolarHBondContact O-N 2.91Å; K635-R637 VanDerWaalsContact C-N 3.33Å; K635-R637 PolarHBondContact O-N 3.18Å; K635-K692 HydrophobicContact CB-CB 4.47Å
636	R	87.4	Confident	90.1	Very high	124 Å²	124	48.2 Å²	48.2	47%	0.468	25%	0.253	S	S	.	.	S	Bend	trans	49.2	48.8	178.1	-70.7	178.8	166.7	-179.7	-0.2	113.1	K692 I722 F723 D724	R636-K692 WeakPolarHBondContact CA-O 3.33Å; R636-K692 HydrophobicContact CG-CB 4.18Å; R636-K692 HydrophobicContact CG-CD 4.38Å; R636-K692 PolarHBondContact N-O 3.42Å; R636-I722 VanDerWaalsContact CD-O 3.3Å; R636-I722 WeakPolarHBondContact CD-O 3.46Å; R636-F723 HydrophobicContact CB-CB 4.46Å; R636-F723 CarbonylContact O-C 3.5Å; R636-F723 VanDerWaalsContact O-CA 3.24Å; R636-F723 WeakPolarHBondContact O-CA 3.05Å; R636-F723 WeakPolarHBondContact O-CB 3.4Å; R636-D724 PolarHBondContact O-N 2.84Å
637	R	91.3	Very high	90.3	Very high	34 Å²	34	42.1 Å²	42.1	13%	0.128	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.6	178	-174.7	168.9	-75.7	142.3	2	112.7	T634 K635 F639 R693 G694 D724	T634-R637 PolarHBondContact OG1-NH1 2.85Å; K635-R637 VanDerWaalsContact C-N 3.33Å; K635-R637 PolarHBondContact O-N 3.18Å; R637-F639 HydrophobicContact CG-CD2 3.97Å; R637-F639 HydrophobicContact CG-CE2 3.65Å; R637-F639 HydrophobicContact CG-CZ 4.3Å; R637-R693 CarbonylContact O-C 3.58Å; R637-R693 VanDerWaalsContact O-CA 3.32Å; R637-R693 WeakPolarHBondContact O-CA 3.42Å; R637-G694 PolarHBondContact O-N 2.88Å; R637-D724 CarbonylContact C-O 3.49Å; R637-D724 VanDerWaalsContact CA-O 3.23Å; R637-D724 WeakPolarHBondContact CA-O 3.38Å; R637-D724 WeakPolarHBondContact CG-O 3.39Å; R637-D724 IonicContact CZ-OD2 3.19Å; R637-D724 IonicContact NE-OD2 2.9Å; R637-D724 PolarHBondContact NE-OD2 3.48Å; R637-D724 VanDerWaalsContact NE-OD2 3.14Å; R637-D724 IonicContact NH2-OD2 3.22Å; R637-D724 PolarHBondContact NH2-OD2 3.1Å
638	V	93.8	Very high	90.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	135.2	170.3	-178.3	0	0	0	0	109	L683 M687 G694 V696 Y715 F723 D724 S725 R726	V638-L683 HydrophobicContact CG1-CD1 4.03Å; V638-L683 HydrophobicContact CG2-CD1 4.2Å; V638-M687 HydrophobicContact CG2-CE 3.46Å; V638-M687 VanDerWaalsContact CG2-CE 3.46Å; V638-G694 WeakPolarHBondContact CA-O 3.38Å; V638-V696 HydrophobicContact CG1-CG2 4.24Å; V638-Y715 HydrophobicContact CG1-CD1 4.1Å; V638-Y715 HydrophobicContact CG1-CE1 4.4Å; V638-F723 HydrophobicContact CB-CD2 4.02Å; V638-F723 HydrophobicContact CB-CE2 4.04Å; V638-F723 HydrophobicContact CG2-CB 4.43Å; V638-F723 HydrophobicContact CG2-CD1 4.27Å; V638-F723 HydrophobicContact CG2-CD2 3.37Å; V638-F723 HydrophobicContact CG2-CE1 4.34Å; V638-F723 HydrophobicContact CG2-CE2 3.48Å; V638-F723 VanDerWaalsContact CG2-CE2 3.48Å; V638-F723 HydrophobicContact CG2-CG 3.79Å; V638-F723 HydrophobicContact CG2-CZ 3.98Å; V638-D724 PolarHBondContact N-O 2.85Å; V638-S725 CarbonylContact O-C 3.47Å; V638-S725 WeakPolarHBondContact O-CA 3.43Å; V638-R726 PolarHBondContact O-N 2.88Å
639	F	95.6	Very high	90.9	Very high	22 Å²	22	40.3 Å²	40.3	10%	0.096	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130.5	170.8	-79.5	-91.8	0	0	0	111	I627 A631 R637 G694 L695 V696 R726	I627-F639 HydrophobicContact CG2-CB 3.59Å; I627-F639 HydrophobicContact CG2-CD1 3.44Å; I627-F639 VanDerWaalsContact CG2-CD1 3.44Å; I627-F639 HydrophobicContact CG2-CD2 3.47Å; I627-F639 VanDerWaalsContact CG2-CD2 3.47Å; I627-F639 HydrophobicContact CG2-CE1 3.86Å; I627-F639 HydrophobicContact CG2-CE2 3.88Å; I627-F639 HydrophobicContact CG2-CG 3.21Å; I627-F639 HydrophobicContact CG2-CZ 4.06Å; A631-F639 HydrophobicContact CB-CD2 3.9Å; A631-F639 HydrophobicContact CB-CE2 3.71Å; R637-F639 HydrophobicContact CG-CD2 3.97Å; R637-F639 HydrophobicContact CG-CE2 3.65Å; R637-F639 HydrophobicContact CG-CZ 4.3Å; F639-G694 PolarHBondContact N-O 3.45Å; F639-L695 HydrophobicContact CB-CD1 4.3Å; F639-V696 PolarHBondContact O-N 3.1Å; F639-R726 CarbonylContact C-O 3.32Å; F639-R726 VanDerWaalsContact CA-O 3.29Å; F639-R726 WeakPolarHBondContact CA-O 3.44Å; F639-R726 HydrophobicContact CD1-CB 3.61Å; F639-R726 HydrophobicContact CE1-CB 3.51Å; F639-R726 HydrophobicContact CE1-CG 4.12Å; F639-R726 HydrophobicContact CG-CB 4.36Å; F639-R726 HydrophobicContact CZ-CB 4.2Å; F639-R726 HydrophobicContact CZ-CG 4.41Å
640	I	96.6	Very high	91.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	115.5	171.7	-61.6	154.8	0	0	0	106.9	V696 T708 I711 F712 Y715 R726 K727 N728	I640-V696 CarbonylContact C-O 3.58Å; I640-V696 WeakPolarHBondContact CA-O 3.4Å; I640-V696 HydrophobicContact CG1-CB 4.18Å; I640-V696 HydrophobicContact CG1-CG1 4.48Å; I640-T708 HydrophobicContact CG2-CG2 4.25Å; I640-I711 HydrophobicContact CD1-CG2 3.92Å; I640-I711 HydrophobicContact CG1-CG2 4.39Å; I640-I711 HydrophobicContact CG2-CG2 4.48Å; I640-F712 VanDerWaalsContact CD1-CA 3.49Å; I640-F712 HydrophobicContact CD1-CB 4.05Å; I640-Y715 HydrophobicContact CD1-CD1 4.36Å; I640-Y715 HydrophobicContact CD1-CG 4.22Å; I640-R726 PolarHBondContact N-O 2.79Å; I640-K727 CarbonylContact O-C 3.48Å; I640-K727 VanDerWaalsContact O-CA 3.32Å; I640-K727 WeakPolarHBondContact O-CA 3.31Å; I640-N728 PolarHBondContact O-N 3.35Å
641	I	96.9	Very high	91.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.5	-176.5	-60	-172.3	0	0	0	109.4	I627 L695 V696 L697 R698 N728 L730	I627-I641 HydrophobicContact CD1-CD1 3.47Å; I627-I641 VanDerWaalsContact CD1-CD1 3.47Å; I627-I641 HydrophobicContact CD1-CG1 4.2Å; I627-I641 HydrophobicContact CG2-CD1 4.34Å; I641-L695 HydrophobicContact CD1-CD1 3.51Å; I641-L695 HydrophobicContact CG1-CD1 3.84Å; I641-V696 PolarHBondContact N-O 3.41Å; I641-L697 HydrophobicContact CB-CD2 3.96Å; I641-L697 HydrophobicContact CG2-CD2 3.97Å; I641-L697 CarbonylContact O-C 3.55Å; I641-L697 WeakPolarHBondContact O-CA 3.22Å; I641-R698 PolarHBondContact O-N 2.95Å; I641-N728 WeakPolarHBondContact CA-O 3.33Å; I641-L730 HydrophobicContact CG2-CD1 3.64Å; I641-L730 HydrophobicContact CG2-CD2 4.03Å; I641-L730 HydrophobicContact CG2-CG 3.63Å
642	E	97.6	Very high	92.4	Very high	35 Å²	35	30.7 Å²	30.7	16%	0.164	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	128.4	171.5	-168.6	176.2	97.4	0	0	110.7	R698 E700 T708 N728 V729 L730	E642-R698 CarbonylContact C-O 3.51Å; E642-R698 WeakPolarHBondContact CA-O 3.29Å; E642-R698 IonicContact OE2-CZ 3.42Å; E642-R698 IonicContact OE2-NH1 3.55Å; E642-R698 PolarHBondContact OE2-NH1 3.26Å; E642-E700 HydrophobicContact CG-CB 4.29Å; E642-T708 WeakPolarHBondContact OE2-CB 3.35Å; E642-T708 PolarHBondContact OE2-OG1 3.48Å; E642-N728 PolarHBondContact N-O 3.48Å; E642-V729 HydrophobicContact CB-CB 4.36Å; E642-V729 HydrophobicContact CB-CG1 4.32Å; E642-V729 HydrophobicContact CB-CG2 4Å; E642-V729 WeakPolarHBondContact OE1-CG1 3.03Å; E642-L730 PolarHBondContact O-N 3.23Å
643	T	97.2	Very high	93.1	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	148.5	178.2	52.6	0	0	0	0	110.7	I620 A652 L697 R698 E700 L730	I620-T643 HydrophobicContact CD1-CG2 4.1Å; I620-T643 HydrophobicContact CG1-CG2 4.48Å; I620-T643 HydrophobicContact CG2-CG2 3.98Å; T643-A652 WeakPolarHBondContact OG1-CB 3.49Å; T643-L697 HydrophobicContact CG2-CD2 3.55Å; T643-R698 PolarHBondContact N-O 3.41Å; T643-R698 PolarHBondContact OG1-O 3.21Å; T643-E700 WeakPolarHBondContact O-CB 3.32Å; T643-E700 PolarHBondContact O-N 2.55Å; T643-L730 HydrophobicContact CG2-CD1 4.5Å
644	M	95.9	Very high	93.9	Very high	22 Å²	22	25.9 Å²	25.9	11%	0.108	12%	0.122	C	C	.	.			trans	-71.2	169.1	172.2	-79.7	170.3	85	0	0	110.9	L651 G731 Q734	M644-L651 HydrophobicContact CB-CD1 4.47Å; M644-L651 WeakPolarHBondContact O-CD1 3.3Å; M644-G731 VanDerWaalsContact SD-O 3.33Å; M644-Q734 VanDerWaalsContact CG-NE2 3.28Å; M644-Q734 VanDerWaalsContact N-NE2 3.18Å; M644-Q734 HydrophobicContact SD-CB 4.27Å
645	G	93.3	Very high	94.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.097	C	C	.	.			trans	161.3	-5.4	170	0	0	0	0	0	114.7	S601 C648 E700	S601-G645 WeakPolarHBondContact CB-O 3.46Å; S601-G645 WeakPolarHBondContact OG-CA 3.32Å; S601-G645 PolarHBondContact OG-O 3.31Å; G645-C648 VanDerWaalsContact O-CB 3.27Å; G645-C648 WeakPolarHBondContact O-CB 3.33Å; G645-C648 PolarHBondContact O-N 2.82Å; G645-E700 PolarHBondContact N-OE1 3.42Å
646	G	94.9	Very high	95.3	Very high	23 Å²	23	15.1 Å²	15.1	24%	0.237	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	-136	-155.3	0	0	0	0	0	108.7	C648 N699 E700	G646-C648 PolarHBondContact O-N 2.85Å; G646-N699 PolarHBondContact O-ND2 3.28Å; G646-N699 PolarHBondContact O-OD1 2.93Å; G646-E700 PolarHBondContact N-OE1 2.82Å
647	Y	95.5	Very high	95.7	Very high	44 Å²	44	9.4 Å²	9.4	17%	0.173	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	6.2	172.7	-59.9	-87	0	0	0	113.7	F667 K701 H805	Y647-F667 HydrophobicContact CD1-CB 4.46Å; Y647-F667 HydrophobicContact CD1-CD1 4.17Å; Y647-F667 AromaticContact CD1-CD2 3.66Å; Y647-F667 HydrophobicContact CD1-CD2 3.66Å; Y647-F667 HydrophobicContact CD1-CE1 4.32Å; Y647-F667 AromaticContact CD1-CE2 3.83Å; Y647-F667 HydrophobicContact CD1-CE2 3.83Å; Y647-F667 AromaticContact CD1-CG 3.83Å; Y647-F667 HydrophobicContact CD1-CG 3.83Å; Y647-F667 HydrophobicContact CD1-CZ 4.17Å; Y647-F667 HydrophobicContact CE1-CD2 4.33Å; Y647-F667 HydrophobicContact CE1-CE2 4.24Å; Y647-F667 HydrophobicContact CG-CD1 4.42Å; Y647-F667 HydrophobicContact CG-CG 4.42Å; Y647-F667 WeakPolarHBondContact O-CB 3.44Å; Y647-K701 HydrophobicContact CD1-CB 3.76Å; Y647-K701 HydrophobicContact CD1-CD 4.12Å; Y647-K701 HydrophobicContact CD2-CD 3.79Å; Y647-K701 HydrophobicContact CE1-CB 3.89Å; Y647-K701 HydrophobicContact CE1-CD 3.77Å; Y647-K701 HydrophobicContact CE1-CG 4.5Å; Y647-K701 HydrophobicContact CE2-CD 3.42Å; Y647-K701 VanDerWaalsContact CE2-CD 3.42Å; Y647-K701 HydrophobicContact CG-CB 4.16Å; Y647-K701 HydrophobicContact CG-CD 4.14Å; Y647-K701 VanDerWaalsContact CZ-CD 3.4Å; Y647-K701 PolarHBondContact OH-NZ 2.89Å; Y647-K701 VanDerWaalsContact OH-NZ 3.15Å; Y647-H805 AromaticContact CD1-CD2 3.86Å; Y647-H805 HydrophobicContact CD2-CB 4.02Å; Y647-H805 VanDerWaalsContact CD2-O 3.24Å; Y647-H805 WeakPolarHBondContact CD2-O 3.37Å; Y647-H805 AromaticContact CE1-CD2 3.89Å; Y647-H805 HydrophobicContact CG-CB 3.95Å
648	C	96.4	Very high	95.8	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.041	C	C	.	.			trans	-91.1	114.3	177	-169.3	0	0	0	0	111.5	S601 N603 G645 G646 Y650 E668 N699 I807	S601-C648 PolarHBondContact O-SG 3.28Å; N603-C648 HydrophobicContact CB-CB 3.81Å; G645-C648 VanDerWaalsContact O-CB 3.27Å; G645-C648 WeakPolarHBondContact O-CB 3.33Å; G645-C648 PolarHBondContact O-N 2.82Å; G646-C648 PolarHBondContact O-N 2.85Å; C648-Y650 PolarHBondContact O-N 3.29Å; C648-E668 WeakPolarHBondContact CA-OE1 3.29Å; C648-N699 PolarHBondContact O-ND2 3.27Å; C648-I807 HydrophobicContact CB-CG2 3.91Å
649	G	96.4	Very high	95.8	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	3.5	179	0	0	0	0	0	115.9	L651 A652 T653 E668	G649-L651 PolarHBondContact O-N 3.33Å; G649-A652 PolarHBondContact O-N 2.9Å; G649-T653 WeakPolarHBondContact O-CB 3.43Å; G649-T653 PolarHBondContact O-N 2.79Å; G649-T653 PolarHBondContact O-OG1 2.85Å; G649-E668 WeakPolarHBondContact CA-OE2 3.36Å; G649-E668 VanDerWaalsContact N-CD 3.3Å; G649-E668 PolarHBondContact N-OE1 3.23Å; G649-E668 PolarHBondContact N-OE2 3.47Å
650	Y	96.7	Very high	95.7	Very high	7 Å²	7	7.3 Å²	7.3	3%	0.027	4%	0.042	C	C	.	.	H	α-helix	trans	-52.8	-54.1	-175.6	177	-102.4	0	0	0	112.2	N602 A613 C648 A652 T653 M654 W812 W813	N602-Y650 HydrophobicContact CB-CD1 3.46Å; N602-Y650 VanDerWaalsContact CB-CD1 3.46Å; N602-Y650 HydrophobicContact CB-CD2 4.26Å; N602-Y650 HydrophobicContact CB-CE1 3.84Å; N602-Y650 HydrophobicContact CB-CG 3.7Å; N602-Y650 WeakPolarHBondContact ND2-CE2 3.49Å; A613-Y650 HydrophobicContact CB-CE1 4.05Å; C648-Y650 PolarHBondContact O-N 3.29Å; Y650-A652 PolarHBondContact O-N 2.89Å; Y650-T653 PolarHBondContact O-N 2.97Å; Y650-M654 HydrophobicContact CD2-CG 3.65Å; Y650-M654 HydrophobicContact CE1-CG 4.36Å; Y650-M654 HydrophobicContact CE2-CG 3.47Å; Y650-M654 VanDerWaalsContact CE2-CG 3.47Å; Y650-M654 HydrophobicContact CE2-SD 4.33Å; Y650-M654 HydrophobicContact CG-CG 4.22Å; Y650-M654 WeakPolarHBondContact O-CB 3.46Å; Y650-M654 VanDerWaalsContact O-CG 3.26Å; Y650-M654 WeakPolarHBondContact O-CG 3.43Å; Y650-M654 PolarHBondContact O-N 2.94Å; Y650-W812 AromaticContact CE2-CZ2 3.89Å; Y650-W812 HydrophobicContact CE2-CZ2 3.89Å; Y650-W813 HydrophobicContact CD2-CB 4.25Å; Y650-W813 AromaticContact CD2-CD1 3.45Å; Y650-W813 VanDerWaalsContact CD2-CD1 3.45Å; Y650-W813 HydrophobicContact CD2-CD2 4.08Å; Y650-W813 AromaticContact CD2-CG 3.67Å; Y650-W813 HydrophobicContact CD2-CG 3.67Å; Y650-W813 AromaticContact CD2-NE1 3.68Å; Y650-W813 HydrophobicContact CE2-CB 4.49Å; Y650-W813 HydrophobicContact CE2-CG 4.33Å; Y650-W813 VanDerWaalsContact N-CZ2 3.28Å
651	L	96.9	Very high	95.5	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-62.6	-44.2	-177.6	-71	178.8	0	0	0	111.9	V600 A616 I620 M644 G649 A655	V600-L651 HydrophobicContact CB-CD1 4.34Å; V600-L651 HydrophobicContact CG2-CD1 4.44Å; V600-L651 WeakPolarHBondContact O-CD1 3.43Å; V600-L651 WeakPolarHBondContact O-CD2 3.37Å; V600-L651 WeakPolarHBondContact O-CG 3.42Å; A616-L651 HydrophobicContact CB-CD1 4.37Å; A616-L651 HydrophobicContact CB-CD2 3.88Å; I620-L651 HydrophobicContact CD1-CB 3.89Å; I620-L651 HydrophobicContact CD1-CD1 4.22Å; I620-L651 HydrophobicContact CD1-CD2 4.01Å; I620-L651 HydrophobicContact CD1-CG 4.26Å; M644-L651 HydrophobicContact CB-CD1 4.47Å; M644-L651 WeakPolarHBondContact O-CD1 3.3Å; G649-L651 PolarHBondContact O-N 3.33Å; L651-A655 WeakPolarHBondContact O-CB 3.3Å; L651-A655 PolarHBondContact O-N 3.04Å
652	A	96.4	Very high	95.3	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-61.9	-44.9	177.6	0	0	0	0	0	112.3	T643 G649 Y650 G656 I666 N699	T643-A652 WeakPolarHBondContact OG1-CB 3.49Å; G649-A652 PolarHBondContact O-N 2.9Å; Y650-A652 PolarHBondContact O-N 2.89Å; A652-G656 PolarHBondContact O-N 3.4Å; A652-I666 HydrophobicContact CB-CG2 3.9Å; A652-N699 HydrophobicContact CB-CB 4.08Å
653	T	96	Very high	95.1	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.006	4%	0.041	C	C	.	.	H	α-helix	trans	-72.7	-49.7	-177.5	-63.7	0	0	0	0	111.8	G649 Y650 G656 L657 W813 R817	G649-T653 WeakPolarHBondContact O-CB 3.43Å; G649-T653 PolarHBondContact O-N 2.79Å; G649-T653 PolarHBondContact O-OG1 2.85Å; Y650-T653 PolarHBondContact O-N 2.97Å; T653-G656 WeakPolarHBondContact O-CA 3.28Å; T653-G656 PolarHBondContact O-N 2.82Å; T653-G656 VanDerWaalsContact O-N 3.15Å; T653-L657 PolarHBondContact O-N 3.19Å; T653-W813 HydrophobicContact CG2-CE3 3.93Å; T653-W813 HydrophobicContact CG2-CZ3 4.17Å; T653-W813 WeakPolarHBondContact OG1-CZ3 3.41Å; T653-R817 HydrophobicContact CG2-CG 4.31Å; T653-R817 WeakPolarHBondContact OG1-CD 3.47Å; T653-R817 PolarHBondContact OG1-NH1 2.87Å; T653-R817 VanDerWaalsContact OG1-NH1 3.09Å
654	M	96	Very high	95	Very high	4 Å²	4	6.7 Å²	6.7	2%	0.02	4%	0.042	C	C	.	.	H	α-helix	trans	-68.4	-39.5	-178.3	-60.2	-54.6	-75.2	0	0	111.3	I382 L617 Y650 G656 L657 A658 W812 W813 L816	I382-M654 HydrophobicContact CD1-CB 4.25Å; I382-M654 HydrophobicContact CD1-CE 3.91Å; I382-M654 HydrophobicContact CG1-CE 4.5Å; I382-M654 HydrophobicContact CG2-CE 3.92Å; L617-M654 HydrophobicContact CD1-CB 3.78Å; L617-M654 HydrophobicContact CD2-CB 4.1Å; Y650-M654 HydrophobicContact CD2-CG 3.65Å; Y650-M654 HydrophobicContact CE1-CG 4.36Å; Y650-M654 HydrophobicContact CE2-CG 3.47Å; Y650-M654 VanDerWaalsContact CE2-CG 3.47Å; Y650-M654 HydrophobicContact CE2-SD 4.33Å; Y650-M654 HydrophobicContact CG-CG 4.22Å; Y650-M654 WeakPolarHBondContact O-CB 3.46Å; Y650-M654 VanDerWaalsContact O-CG 3.26Å; Y650-M654 WeakPolarHBondContact O-CG 3.43Å; Y650-M654 PolarHBondContact O-N 2.94Å; M654-G656 VanDerWaalsContact C-N 3.28Å; M654-G656 PolarHBondContact O-N 3Å; M654-L657 PolarHBondContact O-N 3.01Å; M654-A658 WeakPolarHBondContact O-CB 3.46Å; M654-A658 PolarHBondContact O-N 2.94Å; M654-W812 HydrophobicContact CE-CH2 3.8Å; M654-W812 HydrophobicContact CE-CZ3 4.39Å; M654-W813 HydrophobicContact SD-CB 3.98Å; M654-L816 HydrophobicContact CE-CD1 3.95Å; M654-L816 HydrophobicContact SD-CD1 3.94Å
655	A	96.1	Very high	95	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-67.7	-31.8	172.8	0	0	0	0	0	111.8	L617 I620 L651 A659 L697	L617-A655 HydrophobicContact CD1-CB 3.81Å; L617-A655 VanDerWaalsContact CD1-N 3.26Å; I620-A655 HydrophobicContact CB-CB 4.08Å; I620-A655 HydrophobicContact CG2-CB 3.45Å; I620-A655 VanDerWaalsContact CG2-CB 3.45Å; L651-A655 WeakPolarHBondContact O-CB 3.3Å; L651-A655 PolarHBondContact O-N 3.04Å; A655-A659 WeakPolarHBondContact O-CB 3.49Å; A655-A659 PolarHBondContact O-N 2.82Å; A655-L697 HydrophobicContact CB-CD1 4.41Å
656	G	95.1	Very high	95.2	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-63.6	-43.5	173.9	0	0	0	0	0	112.2	A652 T653 M654 G660 A661 L697	A652-G656 PolarHBondContact O-N 3.4Å; T653-G656 WeakPolarHBondContact O-CA 3.28Å; T653-G656 PolarHBondContact O-N 2.82Å; T653-G656 VanDerWaalsContact O-N 3.15Å; M654-G656 VanDerWaalsContact C-N 3.28Å; M654-G656 PolarHBondContact O-N 3Å; G656-G660 CarbonylContact O-C 3.51Å; G656-G660 WeakPolarHBondContact O-CA 3.35Å; G656-G660 PolarHBondContact O-N 3.3Å; G656-A661 PolarHBondContact O-N 3.15Å; G656-L697 VanDerWaalsContact N-CD1 3.33Å
657	L	94.4	Very high	95.2	Very high	4 Å²	4	8 Å²	8	2%	0.021	4%	0.04	C	C	.	.	H	α-helix	trans	-67	-48.5	173.9	-174.3	60	0	0	0	111.7	I382 T653 M654 G660 L816 I819 L823	I382-L657 HydrophobicContact CG1-CD2 4.33Å; I382-L657 HydrophobicContact CG1-CG 4.35Å; I382-L657 HydrophobicContact CG2-CD2 4.13Å; T653-L657 PolarHBondContact O-N 3.19Å; M654-L657 PolarHBondContact O-N 3.01Å; L657-G660 PolarHBondContact O-N 2.83Å; L657-L816 HydrophobicContact CD2-CD1 4.41Å; L657-I819 HydrophobicContact CD1-CG2 4.01Å; L657-L823 HydrophobicContact CD1-CD1 3.85Å
658	A	94.9	Very high	95.1	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-64.6	-41.5	-178.1	0	0	0	0	0	113.5	A378 R381 I382 M654	A378-A658 HydrophobicContact CB-CB 4.08Å; R381-A658 HydrophobicContact CB-CB 4.37Å; R381-A658 WeakPolarHBondContact CD-O 3.32Å; I382-A658 HydrophobicContact CD1-CB 3.9Å; I382-A658 HydrophobicContact CG1-CB 3.85Å; M654-A658 WeakPolarHBondContact O-CB 3.46Å; M654-A658 PolarHBondContact O-N 2.94Å
659	A	93.8	Very high	94.9	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-79.3	-26.9	175.7	0	0	0	0	0	111.9	L148 C624 K628 A655 L695	L148-A659 VanDerWaalsContact CD1-C 3.46Å; L148-A659 WeakPolarHBondContact CD1-O 3.49Å; C624-A659 HydrophobicContact CB-CB 3.71Å; K628-A659 WeakPolarHBondContact CE-O 3.04Å; K628-A659 PolarHBondContact NZ-O 3.28Å; A655-A659 WeakPolarHBondContact O-CB 3.49Å; A655-A659 PolarHBondContact O-N 2.82Å; A659-L695 HydrophobicContact CB-CD2 3.99Å
660	G	92.4	Very high	94.6	Very high	12 Å²	12	16.1 Å²	16.1	12%	0.124	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	62.7	-165.6	0	0	0	0	0	110.7	L148 K628 G656 L657	L148-G660 VanDerWaalsContact CD1-CA 3.47Å; K628-G660 PolarHBondContact NZ-O 3.3Å; G656-G660 CarbonylContact O-C 3.51Å; G656-G660 WeakPolarHBondContact O-CA 3.35Å; G656-G660 PolarHBondContact O-N 3.3Å; L657-G660 PolarHBondContact O-N 2.83Å
661	A	93.6	Very high	94.4	Very high	4 Å²	4	16.5 Å²	16.5	3%	0.033	9%	0.092	C	C	.	.			trans	-73.5	161.2	166.9	0	0	0	0	0	110.8	G656 L695 L697	G656-A661 PolarHBondContact O-N 3.15Å; A661-L695 HydrophobicContact CB-CB 4.43Å; A661-L695 HydrophobicContact CB-CD2 3.97Å; A661-L695 HydrophobicContact CB-CG 3.96Å; A661-L697 HydrophobicContact CB-CD1 3.64Å; A661-L697 HydrophobicContact CB-CG 4.48Å
662	D	92.7	Very high	94.1	Very high	11 Å²	11	19.7 Å²	19.7	6%	0.059	11%	0.112	C	C	.	.	S	Bend	trans	-86.7	-44.4	177.3	-57.6	-57.6	0	0	0	110.2	L683 K686 G694 L695 Y826	D662-L683 HydrophobicContact CB-CD2 3.94Å; D662-K686 IonicContact OD1-NZ 3.87Å; D662-K686 PolarHBondContact OD1-NZ 3.41Å; D662-K686 IonicContact OD2-NZ 3.99Å; D662-K686 PolarHBondContact OD2-NZ 3.24Å; D662-G694 VanDerWaalsContact OD2-CA 3.25Å; D662-G694 WeakPolarHBondContact OD2-CA 3.49Å; D662-L695 PolarHBondContact N-O 3.23Å; D662-L695 PolarHBondContact OD2-N 3.01Å; D662-Y826 WeakPolarHBondContact O-CE2 3.47Å
663	A	92.9	Very high	93.9	Very high	5 Å²	5	23.2 Å²	23.2	4%	0.041	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	152.4	173.7	0	0	0	0	0	111.8	Y665 N679 V696 L697	A663-Y665 HydrophobicContact CB-CE2 4.45Å; A663-N679 WeakPolarHBondContact CB-OD1 3.33Å; A663-V696 HydrophobicContact CB-CG1 4.33Å; A663-V696 HydrophobicContact CB-CG2 4.31Å; A663-V696 WeakPolarHBondContact O-CA 3.32Å; A663-L697 PolarHBondContact O-N 3.07Å
664	A	95.3	Very high	93.7	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.033	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	110	172.6	0	0	0	0	0	109.9	L697 R817 L820	A664-L697 CarbonylContact C-O 3.52Å; A664-L697 VanDerWaalsContact CA-O 3.3Å; A664-L697 WeakPolarHBondContact CA-O 3.02Å; A664-L697 HydrophobicContact CB-CB 4.38Å; A664-R817 VanDerWaalsContact O-CZ 3.29Å; A664-R817 PolarHBondContact O-NH1 3.29Å; A664-R817 PolarHBondContact O-NH2 3.02Å; A664-L820 HydrophobicContact CB-CD1 3.94Å
665	Y	96.3	Very high	93.4	Very high	11 Å²	11	35.9 Å²	35.9	4%	0.043	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	128.9	178.4	-59.1	-60.7	0	0	0	111.2	A663 F671 L676 N679 V696 L697 N699 I711 Y715	A663-Y665 HydrophobicContact CB-CE2 4.45Å; Y665-F671 HydrophobicContact CD1-CD1 4.04Å; Y665-F671 AromaticContact CD1-CD2 3.91Å; Y665-F671 HydrophobicContact CD1-CD2 3.91Å; Y665-F671 HydrophobicContact CD1-CE1 4.18Å; Y665-F671 HydrophobicContact CD1-CE2 4.03Å; Y665-F671 AromaticContact CD1-CG 3.91Å; Y665-F671 HydrophobicContact CD1-CG 3.91Å; Y665-F671 HydrophobicContact CD1-CZ 4.17Å; Y665-F671 HydrophobicContact CE1-CD2 4.2Å; Y665-F671 HydrophobicContact CE1-CG 4.43Å; Y665-F671 HydrophobicContact CG-CE1 4.32Å; Y665-F671 HydrophobicContact CG-CE2 4.3Å; Y665-F671 HydrophobicContact CG-CZ 4.15Å; Y665-L676 HydrophobicContact CD1-CD2 4.45Å; Y665-L676 HydrophobicContact CE1-CD2 3.77Å; Y665-L676 HydrophobicContact CE2-CD2 3.88Å; Y665-L676 VanDerWaalsContact CZ-CD2 3.45Å; Y665-N679 VanDerWaalsContact OH-CB 3.27Å; Y665-N679 WeakPolarHBondContact OH-CB 3.5Å; Y665-N679 PolarHBondContact OH-ND2 2.78Å; Y665-V696 HydrophobicContact CD2-CG1 3.86Å; Y665-V696 HydrophobicContact CE2-CG1 3.52Å; Y665-L697 PolarHBondContact N-O 3.1Å; Y665-N699 PolarHBondContact O-N 2.74Å; Y665-I711 HydrophobicContact CD2-CD1 4.03Å; Y665-I711 HydrophobicContact CE2-CD1 4.37Å; Y665-I711 HydrophobicContact CE2-CG2 4.48Å; Y665-Y715 PolarHBondContact OH-OH 2.88Å
666	I	96.1	Very high	93.2	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	18%	0.182	C	C	.	.			trans	-135.4	168.5	-176.1	62.9	170.7	0	0	0	110	A652 E668 E669 C702 W813 L814	A652-I666 HydrophobicContact CB-CG2 3.9Å; I666-E668 WeakPolarHBondContact CB-OE2 3.37Å; I666-E668 HydrophobicContact CD1-CB 4.28Å; I666-E669 HydrophobicContact CD1-CB 4Å; I666-E669 HydrophobicContact CG1-CB 3.8Å; I666-C702 VanDerWaalsContact C-CB 3.45Å; I666-W813 HydrophobicContact CD1-CH2 4.14Å; I666-W813 HydrophobicContact CD1-CZ3 3.96Å; I666-L814 HydrophobicContact CD1-CD2 3.91Å
667	F	95.3	Very high	93	Very high	59 Å²	59	40.9 Å²	40.9	26%	0.259	21%	0.206	S	C	.	.	S	Bend	trans	-78.2	-37	178.4	173.4	-107	0	0	0	111.3	Y647 E669 H805 I807	Y647-F667 HydrophobicContact CD1-CB 4.46Å; Y647-F667 HydrophobicContact CD1-CD1 4.17Å; Y647-F667 AromaticContact CD1-CD2 3.66Å; Y647-F667 HydrophobicContact CD1-CD2 3.66Å; Y647-F667 HydrophobicContact CD1-CE1 4.32Å; Y647-F667 AromaticContact CD1-CE2 3.83Å; Y647-F667 HydrophobicContact CD1-CE2 3.83Å; Y647-F667 AromaticContact CD1-CG 3.83Å; Y647-F667 HydrophobicContact CD1-CG 3.83Å; Y647-F667 HydrophobicContact CD1-CZ 4.17Å; Y647-F667 HydrophobicContact CE1-CD2 4.33Å; Y647-F667 HydrophobicContact CE1-CE2 4.24Å; Y647-F667 HydrophobicContact CG-CD1 4.42Å; Y647-F667 HydrophobicContact CG-CG 4.42Å; Y647-F667 WeakPolarHBondContact O-CB 3.44Å; F667-E669 PolarHBondContact O-N 2.81Å; F667-H805 HydrophobicContact CE1-CB 4Å; F667-H805 AromaticContact CE1-CD2 3.71Å; F667-H805 AromaticContact CE1-CG 3.63Å; F667-H805 AromaticContact CE2-CD2 3.99Å; F667-H805 HydrophobicContact CZ-CB 4.44Å; F667-H805 AromaticContact CZ-CD2 3.25Å; F667-H805 WeakPolarHBondContact CZ-CD2 3.43Å; F667-H805 AromaticContact CZ-CE1 3.97Å; F667-H805 AromaticContact CZ-CG 3.63Å; F667-H805 AromaticContact CZ-NE2 3.49Å; F667-H805 WeakPolarHBondContact CZ-NE2 3.44Å; F667-I807 HydrophobicContact CD1-CD1 4.19Å; F667-I807 HydrophobicContact CE1-CD1 4.25Å
668	E	93.9	Very high	92.8	Very high	41 Å²	41	43.1 Å²	43.1	19%	0.192	22%	0.224	C	C	.	.	S	Bend	trans	-75.9	-8.7	-172.2	-51	100.2	135.3	0	0	113.8	C648 G649 I666 I807 Q811 W813 L814	C648-E668 WeakPolarHBondContact CA-OE1 3.29Å; G649-E668 WeakPolarHBondContact CA-OE2 3.36Å; G649-E668 VanDerWaalsContact N-CD 3.3Å; G649-E668 PolarHBondContact N-OE1 3.23Å; G649-E668 PolarHBondContact N-OE2 3.47Å; I666-E668 WeakPolarHBondContact CB-OE2 3.37Å; I666-E668 HydrophobicContact CD1-CB 4.28Å; E668-I807 HydrophobicContact CG-CD1 4.28Å; E668-Q811 PolarHBondContact OE1-NE2 3.04Å; E668-Q811 PolarHBondContact OE1-OE1 2.89Å; E668-W813 WeakPolarHBondContact OE1-CH2 3.35Å; E668-W813 VanDerWaalsContact OE1-CZ2 3.29Å; E668-W813 WeakPolarHBondContact OE1-CZ2 3.37Å; E668-L814 HydrophobicContact CB-CD1 4.38Å; E668-L814 HydrophobicContact CB-CD2 4Å
669	E	91.6	Very high	92.7	Very high	57 Å²	57	44 Å²	44	27%	0.266	23%	0.229	S	C	.	.	S	Bend	trans	-123.8	90.2	170.3	-171.7	-175.1	139.1	0	0	108	I666 F667 F671 R817 K821	I666-E669 HydrophobicContact CD1-CB 4Å; I666-E669 HydrophobicContact CG1-CB 3.8Å; F667-E669 PolarHBondContact O-N 2.81Å; E669-F671 PolarHBondContact O-N 2.89Å; E669-R817 VanDerWaalsContact CD-NH2 3.28Å; E669-R817 IonicContact OE1-NH2 3.99Å; E669-R817 PolarHBondContact OE1-NH2 3.44Å; E669-R817 IonicContact OE2-CZ 3.85Å; E669-R817 IonicContact OE2-NE 2.65Å; E669-R817 PolarHBondContact OE2-NE 3.15Å; E669-R817 IonicContact OE2-NH2 3.73Å; E669-R817 PolarHBondContact OE2-NH2 3.02Å; E669-K821 VanDerWaalsContact OE1-CE 3.31Å; E669-K821 WeakPolarHBondContact OE1-CE 3.08Å; E669-K821 IonicContact OE1-NZ 3.33Å; E669-K821 PolarHBondContact OE1-NZ 3.1Å
670	P	89.6	Confident	92.6	Very high	117 Å²	117	44.3 Å²	44.3	76%	0.76	23%	0.231	S	C	*	.			trans	-57.1	137.2	178.7	-25.7	35.1	0	0	0	111.6
671	F	92.2	Very high	92.6	Very high	16 Å²	16	48.5 Å²	48.5	7%	0.07	25%	0.248	C	C	.	.			trans	-133	150.9	-178.1	63.7	-83.3	0	0	0	110.9	Y665 E669 D675 L676 C702 N703 Y706	Y665-F671 HydrophobicContact CD1-CD1 4.04Å; Y665-F671 AromaticContact CD1-CD2 3.91Å; Y665-F671 HydrophobicContact CD1-CD2 3.91Å; Y665-F671 HydrophobicContact CD1-CE1 4.18Å; Y665-F671 HydrophobicContact CD1-CE2 4.03Å; Y665-F671 AromaticContact CD1-CG 3.91Å; Y665-F671 HydrophobicContact CD1-CG 3.91Å; Y665-F671 HydrophobicContact CD1-CZ 4.17Å; Y665-F671 HydrophobicContact CE1-CD2 4.2Å; Y665-F671 HydrophobicContact CE1-CG 4.43Å; Y665-F671 HydrophobicContact CG-CE1 4.32Å; Y665-F671 HydrophobicContact CG-CE2 4.3Å; Y665-F671 HydrophobicContact CG-CZ 4.15Å; E669-F671 PolarHBondContact O-N 2.89Å; F671-D675 HydrophobicContact CB-CB 4.16Å; F671-L676 HydrophobicContact CD2-CD2 3.89Å; F671-L676 HydrophobicContact CD2-CG 4.1Å; F671-L676 HydrophobicContact CE2-CD1 4.35Å; F671-L676 HydrophobicContact CE2-CD2 3.84Å; F671-L676 HydrophobicContact CE2-CG 4.25Å; F671-C702 HydrophobicContact CE1-CB 4.05Å; F671-N703 HydrophobicContact CE1-CB 4.21Å; F671-N703 HydrophobicContact CZ-CB 3.96Å; F671-Y706 AromaticContact CD2-CD2 3.96Å; F671-Y706 HydrophobicContact CD2-CD2 3.96Å; F671-Y706 HydrophobicContact CD2-CE2 4.46Å; F671-Y706 AromaticContact CE2-CD2 3.44Å; F671-Y706 HydrophobicContact CE2-CD2 3.44Å; F671-Y706 VanDerWaalsContact CE2-CD2 3.44Å; F671-Y706 HydrophobicContact CE2-CE2 4.35Å; F671-Y706 HydrophobicContact CE2-CG 4Å; F671-Y706 HydrophobicContact CZ-CD2 4.01Å; F671-Y706 WeakPolarHBondContact O-CE2 3.49Å
672	T	92.6	Very high	92.5	Very high	67 Å²	67	50 Å²	50	41%	0.411	25%	0.254	S	S	.	.			trans	-113	174.7	-176.3	73.6	0	0	0	0	111.5	R674 D675 L676	T672-R674 PolarHBondContact O-N 2.7Å; T672-R674 PolarHBondContact OG1-N 3.31Å; T672-D675 WeakPolarHBondContact CA-OD2 3.27Å; T672-D675 WeakPolarHBondContact CB-OD2 3.47Å; T672-D675 PolarHBondContact N-OD2 3.4Å; T672-D675 PolarHBondContact O-N 3.26Å; T672-D675 VanDerWaalsContact O-N 3.16Å; T672-D675 PolarHBondContact OG1-OD2 3.48Å; T672-L676 PolarHBondContact O-N 2.89Å; T672-L676 VanDerWaalsContact O-N 3.11Å
673	I	91.4	Very high	92.4	Very high	74 Å²	74	49.5 Å²	49.5	38%	0.379	25%	0.251	S	S	.	.	H	α-helix	trans	-58.9	-29.1	171.2	-166.7	59.9	0	0	0	113	L676 Q677 Y706 F710 L714	I673-L676 HydrophobicContact CD1-CB 4.43Å; I673-L676 HydrophobicContact CD1-CD1 4.14Å; I673-L676 PolarHBondContact O-N 2.91Å; I673-Q677 WeakPolarHBondContact O-CB 3.48Å; I673-Q677 PolarHBondContact O-N 3.34Å; I673-Y706 PolarHBondContact N-OH 2.99Å; I673-F710 HydrophobicContact CD1-CE1 4.2Å; I673-F710 HydrophobicContact CD1-CZ 4.08Å; I673-L714 HydrophobicContact CD1-CD1 4.37Å; I673-L714 HydrophobicContact CD1-CD2 3.74Å
674	R	90.8	Very high	92.3	Very high	200 Å²	200	50.2 Å²	50.2	76%	0.755	26%	0.255	S	S	*	.	H	α-helix	trans	-67.8	-39.6	176.4	-62.8	-179	-179.3	169.3	0.1	111.3	T672 Q677 A678	T672-R674 PolarHBondContact O-N 2.7Å; T672-R674 PolarHBondContact OG1-N 3.31Å; R674-Q677 PolarHBondContact O-N 2.79Å; R674-A678 WeakPolarHBondContact O-CB 3.45Å; R674-A678 PolarHBondContact O-N 3.18Å
675	D	90.4	Very high	92	Very high	71 Å²	71	55.3 Å²	55.3	38%	0.38	28%	0.278	S	S	.	.	H	α-helix	trans	-66.3	-42.3	175.5	-53.9	-75.2	0	0	0	110.6	F671 T672 Q677 A678 N679	F671-D675 HydrophobicContact CB-CB 4.16Å; T672-D675 WeakPolarHBondContact CA-OD2 3.27Å; T672-D675 WeakPolarHBondContact CB-OD2 3.47Å; T672-D675 PolarHBondContact N-OD2 3.4Å; T672-D675 PolarHBondContact O-N 3.26Å; T672-D675 VanDerWaalsContact O-N 3.16Å; T672-D675 PolarHBondContact OG1-OD2 3.48Å; D675-Q677 VanDerWaalsContact C-N 3.35Å; D675-Q677 PolarHBondContact O-N 3.11Å; D675-A678 PolarHBondContact O-N 3.38Å; D675-N679 WeakPolarHBondContact O-CB 3.48Å; D675-N679 PolarHBondContact O-N 3.33Å; D675-N679 PolarHBondContact O-ND2 2.87Å
676	L	92.1	Very high	91.7	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.1	-45.4	173.3	-65.1	179.8	0	0	0	111.6	Y665 F671 T672 I673 N679 V680 Y706 F710 I711 L714	Y665-L676 HydrophobicContact CD1-CD2 4.45Å; Y665-L676 HydrophobicContact CE1-CD2 3.77Å; Y665-L676 HydrophobicContact CE2-CD2 3.88Å; Y665-L676 VanDerWaalsContact CZ-CD2 3.45Å; F671-L676 HydrophobicContact CD2-CD2 3.89Å; F671-L676 HydrophobicContact CD2-CG 4.1Å; F671-L676 HydrophobicContact CE2-CD1 4.35Å; F671-L676 HydrophobicContact CE2-CD2 3.84Å; F671-L676 HydrophobicContact CE2-CG 4.25Å; T672-L676 PolarHBondContact O-N 2.89Å; T672-L676 VanDerWaalsContact O-N 3.11Å; I673-L676 HydrophobicContact CD1-CB 4.43Å; I673-L676 HydrophobicContact CD1-CD1 4.14Å; I673-L676 PolarHBondContact O-N 2.91Å; L676-N679 PolarHBondContact O-N 2.95Å; L676-V680 WeakPolarHBondContact O-CG2 3.02Å; L676-V680 PolarHBondContact O-N 2.88Å; L676-Y706 HydrophobicContact CD1-CD1 4.28Å; L676-Y706 HydrophobicContact CD1-CD2 4.43Å; L676-Y706 HydrophobicContact CD1-CG 4.2Å; L676-F710 HydrophobicContact CD1-CD1 4.48Å; L676-F710 HydrophobicContact CD1-CE1 3.93Å; L676-I711 HydrophobicContact CD1-CG1 4.5Å; L676-I711 HydrophobicContact CD2-CD1 4.49Å; L676-I711 HydrophobicContact CD2-CG1 4.4Å; L676-L714 HydrophobicContact CB-CD2 3.76Å; L676-L714 HydrophobicContact CD1-CD2 3.89Å; L676-L714 HydrophobicContact CG-CD2 4.43Å
677	Q	91.3	Very high	91.3	Very high	105 Å²	105	56.7 Å²	56.7	49%	0.491	28%	0.284	S	S	.	.	H	α-helix	trans	-60	-50.4	176	-176.5	-174.9	-21.5	0	0	111.7	I673 R674 D675 N679 V680 E681	I673-Q677 WeakPolarHBondContact O-CB 3.48Å; I673-Q677 PolarHBondContact O-N 3.34Å; R674-Q677 PolarHBondContact O-N 2.79Å; D675-Q677 VanDerWaalsContact C-N 3.35Å; D675-Q677 PolarHBondContact O-N 3.11Å; Q677-N679 VanDerWaalsContact C-N 3.25Å; Q677-N679 PolarHBondContact O-N 3.42Å; Q677-V680 WeakPolarHBondContact O-CA 3.3Å; Q677-V680 WeakPolarHBondContact O-CB 3.48Å; Q677-V680 PolarHBondContact O-N 2.85Å; Q677-E681 HydrophobicContact CG-CG 4.47Å; Q677-E681 WeakPolarHBondContact CG-OE1 3.39Å; Q677-E681 PolarHBondContact NE2-OE1 3.49Å; Q677-E681 WeakPolarHBondContact O-CG 3.29Å; Q677-E681 PolarHBondContact O-N 2.73Å
678	A	90.6	Very high	90.9	Very high	50 Å²	50	60.2 Å²	60.2	41%	0.413	30%	0.299	S	S	.	.	H	α-helix	trans	-58.8	-36	178	0	0	0	0	0	112.5	R674 D675 H682	R674-A678 WeakPolarHBondContact O-CB 3.45Å; R674-A678 PolarHBondContact O-N 3.18Å; D675-A678 PolarHBondContact O-N 3.38Å; A678-H682 VanDerWaalsContact O-CB 3.3Å; A678-H682 WeakPolarHBondContact O-CB 3.33Å; A678-H682 PolarHBondContact O-N 3.25Å
679	N	91.8	Very high	90.5	Very high	19 Å²	19	60.5 Å²	60.5	10%	0.102	30%	0.304	C	S	.	.	H	α-helix	trans	-67.7	-38.9	173.3	-76.5	-66.9	0	0	0	112.8	A663 Y665 D675 L676 Q677 L683 Y715 Y826	A663-N679 WeakPolarHBondContact CB-OD1 3.33Å; Y665-N679 VanDerWaalsContact OH-CB 3.27Å; Y665-N679 WeakPolarHBondContact OH-CB 3.5Å; Y665-N679 PolarHBondContact OH-ND2 2.78Å; D675-N679 WeakPolarHBondContact O-CB 3.48Å; D675-N679 PolarHBondContact O-N 3.33Å; D675-N679 PolarHBondContact O-ND2 2.87Å; L676-N679 PolarHBondContact O-N 2.95Å; Q677-N679 VanDerWaalsContact C-N 3.25Å; Q677-N679 PolarHBondContact O-N 3.42Å; N679-L683 WeakPolarHBondContact O-CG 3.5Å; N679-L683 PolarHBondContact O-N 3.48Å; N679-L683 VanDerWaalsContact O-N 3.08Å; N679-Y715 VanDerWaalsContact CB-OH 3.28Å; N679-Y715 WeakPolarHBondContact CB-OH 3.44Å; N679-Y826 WeakPolarHBondContact OD1-CE1 3.34Å; N679-Y826 PolarHBondContact OD1-OH 2.65Å
680	V	92.6	Very high	90.1	Very high	6 Å²	6	63 Å²	63	4%	0.036	32%	0.324	C	S	.	.	H	α-helix	trans	-65.6	-46.5	173.4	173.6	0	0	0	0	110.7	L676 Q677 H682 L683 V684 Y715 E718 F723	L676-V680 WeakPolarHBondContact O-CG2 3.02Å; L676-V680 PolarHBondContact O-N 2.88Å; Q677-V680 WeakPolarHBondContact O-CA 3.3Å; Q677-V680 WeakPolarHBondContact O-CB 3.48Å; Q677-V680 PolarHBondContact O-N 2.85Å; V680-H682 PolarHBondContact O-N 3.37Å; V680-L683 CarbonylContact O-C 3.1Å; V680-L683 WeakPolarHBondContact O-CB 3.33Å; V680-L683 PolarHBondContact O-N 3.16Å; V680-L683 VanDerWaalsContact O-N 3.12Å; V680-V684 HydrophobicContact CG1-CG2 4.25Å; V680-V684 WeakPolarHBondContact O-CG2 3.47Å; V680-V684 PolarHBondContact O-N 3.04Å; V680-Y715 HydrophobicContact CG2-CD1 4.07Å; V680-Y715 HydrophobicContact CG2-CD2 3.46Å; V680-Y715 VanDerWaalsContact CG2-CD2 3.46Å; V680-Y715 HydrophobicContact CG2-CE1 4.04Å; V680-Y715 HydrophobicContact CG2-CE2 3.41Å; V680-Y715 VanDerWaalsContact CG2-CE2 3.41Å; V680-Y715 HydrophobicContact CG2-CG 3.79Å; V680-E718 HydrophobicContact CG1-CB 3.75Å; V680-F723 HydrophobicContact CG1-CZ 4.26Å
681	E	91.6	Very high	89.8	Confident	101 Å²	101	58 Å²	58	47%	0.472	29%	0.291	S	S	.	.	H	α-helix	trans	-59.2	-45.5	177.5	-71.9	176.4	-166.3	0	0	111.5	Q677 L683 V684 Q685	Q677-E681 HydrophobicContact CG-CG 4.47Å; Q677-E681 WeakPolarHBondContact CG-OE1 3.39Å; Q677-E681 PolarHBondContact NE2-OE1 3.49Å; Q677-E681 WeakPolarHBondContact O-CG 3.29Å; Q677-E681 PolarHBondContact O-N 2.73Å; E681-L683 VanDerWaalsContact C-N 3.34Å; E681-L683 PolarHBondContact O-N 3.02Å; E681-V684 WeakPolarHBondContact O-CB 3.45Å; E681-V684 PolarHBondContact O-N 3.3Å; E681-V684 VanDerWaalsContact O-N 3.16Å; E681-Q685 WeakPolarHBondContact O-CG 3.34Å; E681-Q685 PolarHBondContact O-N 2.86Å
682	H	91.1	Very high	89.4	Confident	35 Å²	35	61 Å²	61	16%	0.162	30%	0.304	C	S	.	.	H	α-helix	trans	-54.7	-48	172.5	174.9	90.8	0	0	0	111.7	A678 V680 Q685 K686 A824 K825 Y826	A678-H682 VanDerWaalsContact O-CB 3.3Å; A678-H682 WeakPolarHBondContact O-CB 3.33Å; A678-H682 PolarHBondContact O-N 3.25Å; V680-H682 PolarHBondContact O-N 3.37Å; H682-Q685 PolarHBondContact O-N 3.3Å; H682-K686 WeakPolarHBondContact O-CB 3.46Å; H682-K686 PolarHBondContact O-N 2.87Å; H682-A824 PolarHBondContact CE1-O 3.2Å; H682-A824 VanDerWaalsContact CE1-O 3.26Å; H682-A824 PolarHBondContact NE2-O 3.15Å; H682-K825 PolarHBondContact CE1-O 2.72Å; H682-Y826 HydrophobicContact CB-CE1 4.14Å; H682-Y826 AromaticContact CD2-CE2 3.65Å; H682-Y826 AromaticContact CD2-CZ 3.62Å; H682-Y826 AromaticContact CE1-CD2 3.9Å; H682-Y826 AromaticContact CE1-CE2 3.74Å; H682-Y826 AromaticContact CG-CE2 3.91Å; H682-Y826 AromaticContact CG-CZ 3.65Å; H682-Y826 AromaticContact ND1-CE2 3.96Å; H682-Y826 AromaticContact NE2-CE2 3.59Å
683	L	91.7	Very high	89.2	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-65	-38.7	176.4	-73	170.8	0	0	0	112.4	V638 D662 N679 V680 E681 K686 M687 V696 Y715 F723	V638-L683 HydrophobicContact CG1-CD1 4.03Å; V638-L683 HydrophobicContact CG2-CD1 4.2Å; D662-L683 HydrophobicContact CB-CD2 3.94Å; N679-L683 WeakPolarHBondContact O-CG 3.5Å; N679-L683 PolarHBondContact O-N 3.48Å; N679-L683 VanDerWaalsContact O-N 3.08Å; V680-L683 CarbonylContact O-C 3.1Å; V680-L683 WeakPolarHBondContact O-CB 3.33Å; V680-L683 PolarHBondContact O-N 3.16Å; V680-L683 VanDerWaalsContact O-N 3.12Å; E681-L683 VanDerWaalsContact C-N 3.34Å; E681-L683 PolarHBondContact O-N 3.02Å; L683-K686 HydrophobicContact CD2-CD 4.23Å; L683-K686 WeakPolarHBondContact O-CB 3.33Å; L683-K686 PolarHBondContact O-N 2.81Å; L683-M687 WeakPolarHBondContact O-CG 3.27Å; L683-M687 PolarHBondContact O-N 2.81Å; L683-V696 HydrophobicContact CD1-CG2 4.18Å; L683-Y715 HydrophobicContact CD1-CD1 4.2Å; L683-Y715 HydrophobicContact CD1-CE1 3.53Å; L683-F723 HydrophobicContact CB-CE1 4.24Å
684	V	91.2	Very high	89.2	Confident	19 Å²	19	56.4 Å²	56.4	12%	0.115	28%	0.275	C	S	.	.	H	α-helix	trans	-58.7	-47.4	174.2	161.7	0	0	0	0	110.9	V680 E681 M687 I722 F723	V680-V684 HydrophobicContact CG1-CG2 4.25Å; V680-V684 WeakPolarHBondContact O-CG2 3.47Å; V680-V684 PolarHBondContact O-N 3.04Å; E681-V684 WeakPolarHBondContact O-CB 3.45Å; E681-V684 PolarHBondContact O-N 3.3Å; E681-V684 VanDerWaalsContact O-N 3.16Å; V684-M687 PolarHBondContact O-N 2.95Å; V684-I722 HydrophobicContact CB-CD1 4.43Å; V684-I722 HydrophobicContact CG1-CD1 3.58Å; V684-I722 HydrophobicContact CG1-CG2 4.4Å; V684-I722 HydrophobicContact CG2-CD1 4.05Å; V684-I722 HydrophobicContact CG2-CG2 4.46Å; V684-F723 HydrophobicContact CG2-CD1 4.43Å; V684-F723 HydrophobicContact CG2-CE1 3.8Å
685	Q	89	Confident	89.4	Confident	112 Å²	112	47 Å²	47	52%	0.523	24%	0.24	S	C	.	.	H	α-helix	trans	-64.7	-43.5	176.7	-58.8	-59.1	-4.4	0	0	111.1	E681 H682 M687 K688	E681-Q685 WeakPolarHBondContact O-CG 3.34Å; E681-Q685 PolarHBondContact O-N 2.86Å; H682-Q685 PolarHBondContact O-N 3.3Å; Q685-M687 VanDerWaalsContact C-N 3.3Å; Q685-M687 PolarHBondContact O-N 3.45Å; Q685-K688 WeakPolarHBondContact O-CB 3.36Å; Q685-K688 PolarHBondContact O-N 3.38Å
686	K	88.9	Confident	89.7	Confident	39 Å²	39	43.6 Å²	43.6	17%	0.17	22%	0.222	C	C	.	.	H	α-helix	trans	-57	-40.1	175.7	-174.6	-174.1	173.5	-170.3	0	112.5	D662 H682 L683 K688 T689 R693	D662-K686 IonicContact OD1-NZ 3.87Å; D662-K686 PolarHBondContact OD1-NZ 3.41Å; D662-K686 IonicContact OD2-NZ 3.99Å; D662-K686 PolarHBondContact OD2-NZ 3.24Å; H682-K686 WeakPolarHBondContact O-CB 3.46Å; H682-K686 PolarHBondContact O-N 2.87Å; L683-K686 HydrophobicContact CD2-CD 4.23Å; L683-K686 WeakPolarHBondContact O-CB 3.33Å; L683-K686 PolarHBondContact O-N 2.81Å; K686-K688 PolarHBondContact O-N 3.4Å; K686-T689 WeakPolarHBondContact O-CB 3.44Å; K686-T689 PolarHBondContact O-N 2.7Å; K686-T689 PolarHBondContact O-OG1 2.72Å; K686-R693 WeakPolarHBondContact CE-O 3.48Å; K686-R693 PolarHBondContact NZ-O 2.66Å
687	M	88.7	Confident	89.9	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-67.2	-15.6	178.5	-68.7	-69.6	-178.5	0	0	114.5	V638 L683 V684 Q685 K692 R693 I722 F723	V638-M687 HydrophobicContact CG2-CE 3.46Å; V638-M687 VanDerWaalsContact CG2-CE 3.46Å; L683-M687 WeakPolarHBondContact O-CG 3.27Å; L683-M687 PolarHBondContact O-N 2.81Å; V684-M687 PolarHBondContact O-N 2.95Å; Q685-M687 VanDerWaalsContact C-N 3.3Å; Q685-M687 PolarHBondContact O-N 3.45Å; M687-K692 HydrophobicContact SD-CB 4.37Å; M687-R693 PolarHBondContact SD-N 2.98Å; M687-I722 HydrophobicContact CB-CG2 3.96Å; M687-F723 HydrophobicContact CE-CB 3.81Å; M687-F723 HydrophobicContact CE-CD1 4.31Å; M687-F723 HydrophobicContact CE-CG 4.12Å; M687-F723 HydrophobicContact CG-CB 4.15Å; M687-F723 HydrophobicContact CG-CD1 3.93Å; M687-F723 HydrophobicContact CG-CG 4.42Å; M687-F723 HydrophobicContact SD-CB 4.2Å
688	K	86.9	Confident	90.1	Very high	132 Å²	132	39.1 Å²	39.1	57%	0.574	20%	0.201	S	C	*	.	H	α-helix	trans	-78.5	-22.5	171.7	-59.5	172.3	-170	171.5	0	112.2	Q685 K686	Q685-K688 WeakPolarHBondContact O-CB 3.36Å; Q685-K688 PolarHBondContact O-N 3.38Å; K686-K688 PolarHBondContact O-N 3.4Å
689	T	85.4	Confident	90.4	Very high	48 Å²	48	36.8 Å²	36.8	29%	0.294	18%	0.181	S	C	.	.	S	Bend	trans	-75.7	-172.5	177.1	77.4	0	0	0	0	112.6	K686 V691 K692	K686-T689 WeakPolarHBondContact O-CB 3.44Å; K686-T689 PolarHBondContact O-N 2.7Å; K686-T689 PolarHBondContact O-OG1 2.72Å; T689-V691 PolarHBondContact O-N 2.92Å; T689-V691 PolarHBondContact OG1-N 3.46Å; T689-K692 WeakPolarHBondContact O-CE 3.17Å
690	T	82.6	Confident	90.5	Very high	110 Å²	110	38.9 Å²	38.9	68%	0.675	19%	0.19	S	C	*	.	S	Bend	trans	-64.8	-25.2	168.5	57.9	0	0	0	0	112.7	E142 K692	E142-T690 WeakPolarHBondContact CG-OG1 3.41Å; T690-K692 PolarHBondContact O-N 2.65Å; T690-K692 VanDerWaalsContact O-N 3.15Å
691	V	82.1	Confident	90.6	Very high	12 Å²	12	43 Å²	43	7%	0.073	21%	0.208	C	C	.	.			trans	-90.7	75.6	-173.2	-169.8	0	0	0	0	111.6	E142 S145 T689 R693	E142-V691 HydrophobicContact CB-CG2 4.33Å; E142-V691 HydrophobicContact CG-CG2 4.09Å; S145-V691 WeakPolarHBondContact OG-CG2 3.48Å; T689-V691 PolarHBondContact O-N 2.92Å; T689-V691 PolarHBondContact OG1-N 3.46Å; V691-R693 VanDerWaalsContact C-N 3.27Å; V691-R693 HydrophobicContact CG1-CG 4.36Å; V691-R693 PolarHBondContact O-N 3.01Å
692	K	84.5	Confident	90.7	Very high	79 Å²	79	38.6 Å²	38.6	34%	0.343	19%	0.188	S	C	.	.			trans	-82.8	53.4	-174.8	-59	179.8	179.1	173.9	0	113.8	K635 R636 M687 T689 T690	K635-K692 HydrophobicContact CB-CB 4.47Å; R636-K692 WeakPolarHBondContact CA-O 3.33Å; R636-K692 HydrophobicContact CG-CB 4.18Å; R636-K692 HydrophobicContact CG-CD 4.38Å; R636-K692 PolarHBondContact N-O 3.42Å; M687-K692 HydrophobicContact SD-CB 4.37Å; T689-K692 WeakPolarHBondContact O-CE 3.17Å; T690-K692 PolarHBondContact O-N 2.65Å; T690-K692 VanDerWaalsContact O-N 3.15Å
693	R	89.5	Confident	90.9	Very high	39 Å²	39	39.1 Å²	39.1	15%	0.147	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	150.2	174.7	65.8	-178.8	-178.8	-74.9	-20.1	112.3	M146 A631 R637 K686 M687 V691	M146-R693 VanDerWaalsContact CG-CZ 3.48Å; M146-R693 PolarHBondContact SD-NE 3.48Å; M146-R693 PolarHBondContact SD-NH2 3.26Å; M146-R693 VanDerWaalsContact SD-NH2 3.43Å; A631-R693 HydrophobicContact CB-CB 4.06Å; R637-R693 CarbonylContact O-C 3.58Å; R637-R693 VanDerWaalsContact O-CA 3.32Å; R637-R693 WeakPolarHBondContact O-CA 3.42Å; K686-R693 WeakPolarHBondContact CE-O 3.48Å; K686-R693 PolarHBondContact NZ-O 2.66Å; M687-R693 PolarHBondContact SD-N 2.98Å; V691-R693 VanDerWaalsContact C-N 3.27Å; V691-R693 HydrophobicContact CG1-CG 4.36Å; V691-R693 PolarHBondContact O-N 3.01Å
694	G	91.3	Very high	90.9	Very high	4 Å²	4	46.6 Å²	46.6	4%	0.041	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	148.6	171.6	0	0	0	0	0	112.9	R637 V638 F639 D662	R637-G694 PolarHBondContact O-N 2.88Å; V638-G694 WeakPolarHBondContact CA-O 3.38Å; F639-G694 PolarHBondContact N-O 3.45Å; D662-G694 VanDerWaalsContact OD2-CA 3.25Å; D662-G694 WeakPolarHBondContact OD2-CA 3.49Å
695	L	94.3	Very high	91	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.016	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	125.4	168.1	175.6	65.7	0	0	0	109.8	C624 K628 F639 I641 A659 A661 D662	C624-L695 HydrophobicContact CB-CD2 4.12Å; K628-L695 HydrophobicContact CD-CD2 4.44Å; F639-L695 HydrophobicContact CB-CD1 4.3Å; I641-L695 HydrophobicContact CD1-CD1 3.51Å; I641-L695 HydrophobicContact CG1-CD1 3.84Å; A659-L695 HydrophobicContact CB-CD2 3.99Å; A661-L695 HydrophobicContact CB-CB 4.43Å; A661-L695 HydrophobicContact CB-CD2 3.97Å; A661-L695 HydrophobicContact CB-CG 3.96Å; D662-L695 PolarHBondContact N-O 3.23Å; D662-L695 PolarHBondContact OD2-N 3.01Å
696	V	96.1	Very high	91.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	134.5	175.6	175.7	0	0	0	0	108.1	V638 F639 I640 I641 A663 Y665 L683 Y715	V638-V696 HydrophobicContact CG1-CG2 4.24Å; F639-V696 PolarHBondContact O-N 3.1Å; I640-V696 CarbonylContact C-O 3.58Å; I640-V696 WeakPolarHBondContact CA-O 3.4Å; I640-V696 HydrophobicContact CG1-CB 4.18Å; I640-V696 HydrophobicContact CG1-CG1 4.48Å; I641-V696 PolarHBondContact N-O 3.41Å; A663-V696 HydrophobicContact CB-CG1 4.33Å; A663-V696 HydrophobicContact CB-CG2 4.31Å; A663-V696 WeakPolarHBondContact O-CA 3.32Å; Y665-V696 HydrophobicContact CD2-CG1 3.86Å; Y665-V696 HydrophobicContact CE2-CG1 3.52Å; L683-V696 HydrophobicContact CD1-CG2 4.18Å; V696-Y715 HydrophobicContact CG2-CE1 3.83Å
697	L	96.6	Very high	91.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	146.1	169.3	-72.4	141.9	0	0	0	109.9	I620 I641 T643 A655 G656 A661 A663 A664 Y665	I620-L697 HydrophobicContact CG2-CD2 4.23Å; I641-L697 HydrophobicContact CB-CD2 3.96Å; I641-L697 HydrophobicContact CG2-CD2 3.97Å; I641-L697 CarbonylContact O-C 3.55Å; I641-L697 WeakPolarHBondContact O-CA 3.22Å; T643-L697 HydrophobicContact CG2-CD2 3.55Å; A655-L697 HydrophobicContact CB-CD1 4.41Å; G656-L697 VanDerWaalsContact N-CD1 3.33Å; A661-L697 HydrophobicContact CB-CD1 3.64Å; A661-L697 HydrophobicContact CB-CG 4.48Å; A663-L697 PolarHBondContact O-N 3.07Å; A664-L697 CarbonylContact C-O 3.52Å; A664-L697 VanDerWaalsContact CA-O 3.3Å; A664-L697 WeakPolarHBondContact CA-O 3.02Å; A664-L697 HydrophobicContact CB-CB 4.38Å; Y665-L697 PolarHBondContact N-O 3.1Å
698	R	96.6	Very high	91.9	Very high	11 Å²	11	49.7 Å²	49.7	4%	0.042	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	130	174.9	-172.3	-153.2	172.5	-110.6	-16.9	108	I641 E642 T643 E700 C702 N703 Y706 T708 I711	I641-R698 PolarHBondContact O-N 2.95Å; E642-R698 CarbonylContact C-O 3.51Å; E642-R698 WeakPolarHBondContact CA-O 3.29Å; E642-R698 IonicContact OE2-CZ 3.42Å; E642-R698 IonicContact OE2-NH1 3.55Å; E642-R698 PolarHBondContact OE2-NH1 3.26Å; T643-R698 PolarHBondContact N-O 3.41Å; T643-R698 PolarHBondContact OG1-O 3.21Å; R698-E700 PolarHBondContact NH1-O 2.86Å; R698-E700 PolarHBondContact NH2-O 2.66Å; R698-C702 WeakPolarHBondContact CG-SG 3.33Å; R698-N703 PolarHBondContact NH2-O 2.86Å; R698-N703 VanDerWaalsContact NH2-O 3.12Å; R698-Y706 PolarHBondContact NE-O 3.47Å; R698-Y706 VanDerWaalsContact NE-O 3.11Å; R698-Y706 PolarHBondContact NH2-O 2.65Å; R698-T708 WeakPolarHBondContact CD-OG1 3.39Å; R698-T708 PolarHBondContact NH1-OG1 3.36Å; R698-I711 HydrophobicContact CG-CD1 4.3Å
699	N	96.9	Very high	92.3	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	138.1	163.7	161.2	-85.4	0	0	0	109.6	G646 C648 A652 Y665 K701 C702	G646-N699 PolarHBondContact O-ND2 3.28Å; G646-N699 PolarHBondContact O-OD1 2.93Å; C648-N699 PolarHBondContact O-ND2 3.27Å; A652-N699 HydrophobicContact CB-CB 4.08Å; Y665-N699 PolarHBondContact O-N 2.74Å; N699-K701 PolarHBondContact O-N 2.62Å; N699-K701 VanDerWaalsContact OD1-C 3.29Å; N699-K701 PolarHBondContact OD1-N 3.25Å; N699-C702 HydrophobicContact CB-CB 4.3Å; N699-C702 WeakPolarHBondContact O-CB 3.32Å; N699-C702 PolarHBondContact O-N 2.93Å; N699-C702 VanDerWaalsContact O-N 3.08Å; N699-C702 PolarHBondContact O-SG 3.05Å; N699-C702 VanDerWaalsContact O-SG 3.4Å; N699-C702 PolarHBondContact OD1-N 2.55Å
700	E	94.1	Very high	92.8	Very high	63 Å²	63	48.5 Å²	48.5	29%	0.294	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-34.4	-175.1	57.8	-175.1	176.6	0	0	114.9	E642 T643 G645 G646 R698	E642-E700 HydrophobicContact CG-CB 4.29Å; T643-E700 WeakPolarHBondContact O-CB 3.32Å; T643-E700 PolarHBondContact O-N 2.55Å; G645-E700 PolarHBondContact N-OE1 3.42Å; G646-E700 PolarHBondContact N-OE1 2.82Å; R698-E700 PolarHBondContact NH1-O 2.86Å; R698-E700 PolarHBondContact NH2-O 2.66Å
701	K	94.7	Very high	93.4	Very high	94 Å²	94	43.2 Å²	43.2	41%	0.409	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	26.1	-179.8	-64.6	-158	169	-158.9	0	114.2	Y647 N699 N703	Y647-K701 HydrophobicContact CD1-CB 3.76Å; Y647-K701 HydrophobicContact CD1-CD 4.12Å; Y647-K701 HydrophobicContact CD2-CD 3.79Å; Y647-K701 HydrophobicContact CE1-CB 3.89Å; Y647-K701 HydrophobicContact CE1-CD 3.77Å; Y647-K701 HydrophobicContact CE1-CG 4.5Å; Y647-K701 HydrophobicContact CE2-CD 3.42Å; Y647-K701 VanDerWaalsContact CE2-CD 3.42Å; Y647-K701 HydrophobicContact CG-CB 4.16Å; Y647-K701 HydrophobicContact CG-CD 4.14Å; Y647-K701 VanDerWaalsContact CZ-CD 3.4Å; Y647-K701 PolarHBondContact OH-NZ 2.89Å; Y647-K701 VanDerWaalsContact OH-NZ 3.15Å; N699-K701 PolarHBondContact O-N 2.62Å; N699-K701 VanDerWaalsContact OD1-C 3.29Å; N699-K701 PolarHBondContact OD1-N 3.25Å; K701-N703 PolarHBondContact O-N 3.38Å
702	C	93.6	Very high	94.1	Very high	7 Å²	7	44.7 Å²	44.7	5%	0.047	21%	0.214	C	C	.	.	S	Bend	trans	-60.7	-32.7	179.7	68.5	0	0	0	0	113.4	I666 F671 R698 N699	I666-C702 VanDerWaalsContact C-CB 3.45Å; F671-C702 HydrophobicContact CE1-CB 4.05Å; R698-C702 WeakPolarHBondContact CG-SG 3.33Å; N699-C702 HydrophobicContact CB-CB 4.3Å; N699-C702 WeakPolarHBondContact O-CB 3.32Å; N699-C702 PolarHBondContact O-N 2.93Å; N699-C702 VanDerWaalsContact O-N 3.08Å; N699-C702 PolarHBondContact O-SG 3.05Å; N699-C702 VanDerWaalsContact O-SG 3.4Å; N699-C702 PolarHBondContact OD1-N 2.55Å
703	N	94.8	Very high	94.6	Very high	47 Å²	47	45.6 Å²	45.6	25%	0.251	22%	0.223	S	C	.	.			trans	-163.6	143.8	177.6	-170.9	-77.8	0	0	0	108.5	F671 R698 K701 N705 Y706	F671-N703 HydrophobicContact CE1-CB 4.21Å; F671-N703 HydrophobicContact CZ-CB 3.96Å; R698-N703 PolarHBondContact NH2-O 2.86Å; R698-N703 VanDerWaalsContact NH2-O 3.12Å; K701-N703 PolarHBondContact O-N 3.38Å; N703-N705 PolarHBondContact OD1-N 3.48Å; N703-Y706 HydrophobicContact CB-CD2 4.17Å; N703-Y706 HydrophobicContact CB-CG 4.45Å; N703-Y706 PolarHBondContact OD1-N 2.78Å
704	E	91.5	Very high	94.9	Very high	158 Å²	158	45.3 Å²	45.3	74%	0.738	22%	0.224	S	C	*	.	S	Bend	trans	-74.5	-37.9	-178.7	-57.5	-168.2	146.6	0	0	113	T707	E704-T707 WeakPolarHBondContact O-CG2 3.39Å
705	N	93.8	Very high	95	Very high	127 Å²	127	45.1 Å²	45.1	68%	0.679	22%	0.222	S	C	*	.	S	Bend	trans	-87.2	-40.1	-177.4	-64.4	-59.4	0	0	0	111.8	N703 T707	N703-N705 PolarHBondContact OD1-N 3.48Å; N705-T707 PolarHBondContact O-N 2.94Å
706	Y	93.9	Very high	95.1	Very high	51 Å²	51	46.7 Å²	46.7	20%	0.2	23%	0.233	C	C	.	.	S	Bend	trans	-81.8	66	176.2	-50.9	-37.6	0	0	0	110.9	F671 I673 L676 R698 N703 F710	F671-Y706 AromaticContact CD2-CD2 3.96Å; F671-Y706 HydrophobicContact CD2-CD2 3.96Å; F671-Y706 HydrophobicContact CD2-CE2 4.46Å; F671-Y706 AromaticContact CE2-CD2 3.44Å; F671-Y706 HydrophobicContact CE2-CD2 3.44Å; F671-Y706 VanDerWaalsContact CE2-CD2 3.44Å; F671-Y706 HydrophobicContact CE2-CE2 4.35Å; F671-Y706 HydrophobicContact CE2-CG 4Å; F671-Y706 HydrophobicContact CZ-CD2 4.01Å; F671-Y706 WeakPolarHBondContact O-CE2 3.49Å; I673-Y706 PolarHBondContact N-OH 2.99Å; L676-Y706 HydrophobicContact CD1-CD1 4.28Å; L676-Y706 HydrophobicContact CD1-CD2 4.43Å; L676-Y706 HydrophobicContact CD1-CG 4.2Å; R698-Y706 PolarHBondContact NE-O 3.47Å; R698-Y706 VanDerWaalsContact NE-O 3.11Å; R698-Y706 PolarHBondContact NH2-O 2.65Å; N703-Y706 HydrophobicContact CB-CD2 4.17Å; N703-Y706 HydrophobicContact CB-CG 4.45Å; N703-Y706 PolarHBondContact OD1-N 2.78Å; Y706-F710 AromaticContact CD1-CD1 3.66Å; Y706-F710 HydrophobicContact CD1-CD1 3.66Å; Y706-F710 AromaticContact CD1-CE1 3.48Å; Y706-F710 HydrophobicContact CD1-CE1 3.48Å; Y706-F710 VanDerWaalsContact CD1-CE1 3.48Å; Y706-F710 HydrophobicContact CD1-CG 4.49Å; Y706-F710 HydrophobicContact CD1-CZ 4.19Å; Y706-F710 HydrophobicContact CE1-CD1 4.49Å; Y706-F710 AromaticContact CE1-CE1 3.89Å; Y706-F710 HydrophobicContact CE1-CE1 3.89Å; Y706-F710 HydrophobicContact CE1-CZ 4.25Å; Y706-F710 HydrophobicContact CG-CD1 4.39Å; Y706-F710 HydrophobicContact CG-CE1 4.44Å
707	T	95.1	Very high	95	Very high	55 Å²	55	52 Å²	52	34%	0.337	26%	0.259	S	S	.	.			trans	-66.4	162.3	173.9	65	0	0	0	0	111.6	E704 N705 D709 F710 I711	E704-T707 WeakPolarHBondContact O-CG2 3.39Å; N705-T707 PolarHBondContact O-N 2.94Å; T707-D709 PolarHBondContact O-N 2.98Å; T707-D709 VanDerWaalsContact O-N 3.17Å; T707-D709 PolarHBondContact OG1-N 3.24Å; T707-F710 PolarHBondContact O-N 2.94Å; T707-F710 VanDerWaalsContact O-N 3.16Å; T707-F710 PolarHBondContact OG1-N 3.49Å; T707-F710 VanDerWaalsContact OG1-N 3.07Å; T707-I711 WeakPolarHBondContact O-CG1 3.42Å; T707-I711 PolarHBondContact O-N 2.93Å
708	T	95.2	Very high	94.8	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.018	29%	0.285	C	S	.	.	H	α-helix	trans	-54.1	-33.4	171.4	-66.6	0	0	0	0	112.2	I640 E642 R698 F712 K727	I640-T708 HydrophobicContact CG2-CG2 4.25Å; E642-T708 WeakPolarHBondContact OE2-CB 3.35Å; E642-T708 PolarHBondContact OE2-OG1 3.48Å; R698-T708 WeakPolarHBondContact CD-OG1 3.39Å; R698-T708 PolarHBondContact NH1-OG1 3.36Å; T708-F712 WeakPolarHBondContact O-CB 3.09Å; T708-F712 PolarHBondContact O-N 3.2Å; T708-K727 HydrophobicContact CG2-CB 3.79Å; T708-K727 HydrophobicContact CG2-CD 4.3Å
709	D	95.7	Very high	94.5	Very high	77 Å²	77	57.2 Å²	57.2	41%	0.412	28%	0.283	S	S	.	.	H	α-helix	trans	-74.8	-40.6	179.9	-75.8	18.1	0	0	0	112.1	T707 F712 N713 K727	T707-D709 PolarHBondContact O-N 2.98Å; T707-D709 VanDerWaalsContact O-N 3.17Å; T707-D709 PolarHBondContact OG1-N 3.24Å; D709-F712 PolarHBondContact O-N 2.95Å; D709-N713 WeakPolarHBondContact O-CB 3.41Å; D709-N713 PolarHBondContact O-N 3.28Å; D709-N713 PolarHBondContact O-ND2 3.13Å; D709-K727 WeakPolarHBondContact OD1-CD 3.46Å; D709-K727 WeakPolarHBondContact OD1-CE 3.27Å; D709-K727 IonicContact OD1-NZ 3.48Å; D709-K727 PolarHBondContact OD1-NZ 3.24Å; D709-K727 IonicContact OD2-NZ 3.38Å; D709-K727 PolarHBondContact OD2-NZ 2.95Å
710	F	95.5	Very high	94.2	Very high	78 Å²	78	63.5 Å²	63.5	34%	0.342	31%	0.31	S	S	.	.	H	α-helix	trans	-61.7	-51.9	172.4	177.3	-93.1	0	0	0	111.5	I673 L676 Y706 T707 F712 N713 L714	I673-F710 HydrophobicContact CD1-CE1 4.2Å; I673-F710 HydrophobicContact CD1-CZ 4.08Å; L676-F710 HydrophobicContact CD1-CD1 4.48Å; L676-F710 HydrophobicContact CD1-CE1 3.93Å; Y706-F710 AromaticContact CD1-CD1 3.66Å; Y706-F710 HydrophobicContact CD1-CD1 3.66Å; Y706-F710 AromaticContact CD1-CE1 3.48Å; Y706-F710 HydrophobicContact CD1-CE1 3.48Å; Y706-F710 VanDerWaalsContact CD1-CE1 3.48Å; Y706-F710 HydrophobicContact CD1-CG 4.49Å; Y706-F710 HydrophobicContact CD1-CZ 4.19Å; Y706-F710 HydrophobicContact CE1-CD1 4.49Å; Y706-F710 AromaticContact CE1-CE1 3.89Å; Y706-F710 HydrophobicContact CE1-CE1 3.89Å; Y706-F710 HydrophobicContact CE1-CZ 4.25Å; Y706-F710 HydrophobicContact CG-CD1 4.39Å; Y706-F710 HydrophobicContact CG-CE1 4.44Å; T707-F710 PolarHBondContact O-N 2.94Å; T707-F710 VanDerWaalsContact O-N 3.16Å; T707-F710 PolarHBondContact OG1-N 3.49Å; T707-F710 VanDerWaalsContact OG1-N 3.07Å; F710-F712 VanDerWaalsContact C-N 3.28Å; F710-F712 PolarHBondContact O-N 2.94Å; F710-N713 PolarHBondContact O-N 3.05Å; F710-L714 HydrophobicContact CE1-CD2 4.18Å; F710-L714 WeakPolarHBondContact O-CB 3.18Å; F710-L714 PolarHBondContact O-N 2.75Å
711	I	95.4	Very high	93.8	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.3	-40.3	179.8	-61.5	172.4	0	0	0	110	I640 Y665 L676 R698 T707 Y715	I640-I711 HydrophobicContact CD1-CG2 3.92Å; I640-I711 HydrophobicContact CG1-CG2 4.39Å; I640-I711 HydrophobicContact CG2-CG2 4.48Å; Y665-I711 HydrophobicContact CD2-CD1 4.03Å; Y665-I711 HydrophobicContact CE2-CD1 4.37Å; Y665-I711 HydrophobicContact CE2-CG2 4.48Å; L676-I711 HydrophobicContact CD1-CG1 4.5Å; L676-I711 HydrophobicContact CD2-CD1 4.49Å; L676-I711 HydrophobicContact CD2-CG1 4.4Å; R698-I711 HydrophobicContact CG-CD1 4.3Å; T707-I711 WeakPolarHBondContact O-CG1 3.42Å; T707-I711 PolarHBondContact O-N 2.93Å; I711-Y715 HydrophobicContact CG2-CD2 3.76Å; I711-Y715 HydrophobicContact CG2-CE2 3.68Å; I711-Y715 HydrophobicContact CG2-CG 4.48Å; I711-Y715 VanDerWaalsContact O-CB 3.29Å; I711-Y715 WeakPolarHBondContact O-CB 3.37Å; I711-Y715 WeakPolarHBondContact O-CD2 3.06Å; I711-Y715 PolarHBondContact O-N 2.75Å
712	F	96.3	Very high	93.6	Very high	42 Å²	42	62.4 Å²	62.4	18%	0.184	33%	0.329	C	S	.	.	H	α-helix	trans	-60.9	-46.7	174.7	165.9	-95.8	0	0	0	113	I640 T708 D709 F710 S716 S725 K727	I640-F712 VanDerWaalsContact CD1-CA 3.49Å; I640-F712 HydrophobicContact CD1-CB 4.05Å; T708-F712 WeakPolarHBondContact O-CB 3.09Å; T708-F712 PolarHBondContact O-N 3.2Å; D709-F712 PolarHBondContact O-N 2.95Å; F710-F712 VanDerWaalsContact C-N 3.28Å; F710-F712 PolarHBondContact O-N 2.94Å; F712-S716 VanDerWaalsContact O-CB 3.32Å; F712-S716 WeakPolarHBondContact O-CB 3.3Å; F712-S716 PolarHBondContact O-N 2.87Å; F712-S716 PolarHBondContact O-OG 3.45Å; F712-S725 WeakPolarHBondContact CE2-O 3.28Å; F712-K727 HydrophobicContact CB-CB 4.23Å; F712-K727 HydrophobicContact CB-CD 4.19Å; F712-K727 HydrophobicContact CD1-CD 4.25Å; F712-K727 HydrophobicContact CD2-CB 4.05Å; F712-K727 HydrophobicContact CD2-CD 4.42Å; F712-K727 HydrophobicContact CD2-CG 4.17Å; F712-K727 HydrophobicContact CG-CB 4.26Å; F712-K727 HydrophobicContact CG-CD 4.01Å; F712-K727 HydrophobicContact CG-CG 4.27Å
713	N	96	Very high	93.5	Very high	98 Å²	98	62.7 Å²	62.7	52%	0.524	33%	0.329	S	S	.	.	H	α-helix	trans	-65.5	-46.5	179.5	-71	-21.3	0	0	0	111	D709 F710 Y715 S716 E717	D709-N713 WeakPolarHBondContact O-CB 3.41Å; D709-N713 PolarHBondContact O-N 3.28Å; D709-N713 PolarHBondContact O-ND2 3.13Å; F710-N713 PolarHBondContact O-N 3.05Å; N713-Y715 PolarHBondContact O-N 3.49Å; N713-S716 WeakPolarHBondContact O-CB 3.49Å; N713-S716 PolarHBondContact O-N 2.98Å; N713-S716 VanDerWaalsContact O-N 3.13Å; N713-E717 PolarHBondContact O-N 2.93Å
714	L	94.8	Very high	93.4	Very high	34 Å²	34	63.1 Å²	63.1	18%	0.178	33%	0.332	C	S	.	.	H	α-helix	trans	-55.5	-53.5	175.9	179.2	67.6	0	0	0	111.2	I673 L676 F710 S716 E717 E718	I673-L714 HydrophobicContact CD1-CD1 4.37Å; I673-L714 HydrophobicContact CD1-CD2 3.74Å; L676-L714 HydrophobicContact CB-CD2 3.76Å; L676-L714 HydrophobicContact CD1-CD2 3.89Å; L676-L714 HydrophobicContact CG-CD2 4.43Å; F710-L714 HydrophobicContact CE1-CD2 4.18Å; F710-L714 WeakPolarHBondContact O-CB 3.18Å; F710-L714 PolarHBondContact O-N 2.75Å; L714-S716 PolarHBondContact O-N 2.93Å; L714-E717 PolarHBondContact O-N 2.74Å; L714-E718 HydrophobicContact CD1-CG 3.8Å; L714-E718 HydrophobicContact CG-CG 4.37Å; L714-E718 WeakPolarHBondContact O-CB 3.38Å; L714-E718 WeakPolarHBondContact O-CG 3.39Å; L714-E718 PolarHBondContact O-N 2.86Å
715	Y	95.1	Very high	93.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.9	-24.4	179.1	-84.6	-127.7	0	0	0	113.3	V638 I640 Y665 N679 V680 L683 V696 I711 N713 G719 F723 S725	V638-Y715 HydrophobicContact CG1-CD1 4.1Å; V638-Y715 HydrophobicContact CG1-CE1 4.4Å; I640-Y715 HydrophobicContact CD1-CD1 4.36Å; I640-Y715 HydrophobicContact CD1-CG 4.22Å; Y665-Y715 PolarHBondContact OH-OH 2.88Å; N679-Y715 VanDerWaalsContact CB-OH 3.28Å; N679-Y715 WeakPolarHBondContact CB-OH 3.44Å; V680-Y715 HydrophobicContact CG2-CD1 4.07Å; V680-Y715 HydrophobicContact CG2-CD2 3.46Å; V680-Y715 VanDerWaalsContact CG2-CD2 3.46Å; V680-Y715 HydrophobicContact CG2-CE1 4.04Å; V680-Y715 HydrophobicContact CG2-CE2 3.41Å; V680-Y715 VanDerWaalsContact CG2-CE2 3.41Å; V680-Y715 HydrophobicContact CG2-CG 3.79Å; L683-Y715 HydrophobicContact CD1-CD1 4.2Å; L683-Y715 HydrophobicContact CD1-CE1 3.53Å; V696-Y715 HydrophobicContact CG2-CE1 3.83Å; I711-Y715 HydrophobicContact CG2-CD2 3.76Å; I711-Y715 HydrophobicContact CG2-CE2 3.68Å; I711-Y715 HydrophobicContact CG2-CG 4.48Å; I711-Y715 VanDerWaalsContact O-CB 3.29Å; I711-Y715 WeakPolarHBondContact O-CB 3.37Å; I711-Y715 WeakPolarHBondContact O-CD2 3.06Å; I711-Y715 PolarHBondContact O-N 2.75Å; N713-Y715 PolarHBondContact O-N 3.49Å; Y715-G719 WeakPolarHBondContact O-CA 3.26Å; Y715-G719 PolarHBondContact O-N 3.07Å; Y715-F723 WeakPolarHBondContact O-CE2 3.42Å; Y715-S725 PolarHBondContact O-OG 2.82Å
716	S	94.5	Very high	93.6	Very high	35 Å²	35	54.6 Å²	54.6	25%	0.245	28%	0.283	C	S	.	.	H	α-helix	trans	-77.4	-38.3	177.4	-60.4	0	0	0	0	112.2	F712 N713 L714 S725	F712-S716 VanDerWaalsContact O-CB 3.32Å; F712-S716 WeakPolarHBondContact O-CB 3.3Å; F712-S716 PolarHBondContact O-N 2.87Å; F712-S716 PolarHBondContact O-OG 3.45Å; N713-S716 WeakPolarHBondContact O-CB 3.49Å; N713-S716 PolarHBondContact O-N 2.98Å; N713-S716 VanDerWaalsContact O-N 3.13Å; L714-S716 PolarHBondContact O-N 2.93Å; S716-S725 WeakPolarHBondContact OG-CB 3.41Å
717	E	95.1	Very high	93.6	Very high	113 Å²	113	56.2 Å²	56.2	53%	0.528	29%	0.291	S	S	.	.	H	α-helix	trans	-83.7	-43.9	-178.7	-166.2	60.7	-156.2	0	0	111.8	N713 L714 G719 K720	N713-E717 PolarHBondContact O-N 2.93Å; L714-E717 PolarHBondContact O-N 2.74Å; E717-G719 VanDerWaalsContact C-N 3.33Å; E717-G719 PolarHBondContact O-N 3.08Å; E717-K720 WeakPolarHBondContact O-CB 3.23Å; E717-K720 PolarHBondContact O-N 3.4Å; E717-K720 WeakPolarHBondContact OE1-CD 3.46Å; E717-K720 IonicContact OE1-NZ 3.63Å; E717-K720 PolarHBondContact OE1-NZ 2.87Å; E717-K720 IonicContact OE2-NZ 3.68Å; E717-K720 PolarHBondContact OE2-NZ 3.11Å
718	E	92.8	Very high	93.6	Very high	120 Å²	120	56.3 Å²	56.3	56%	0.561	29%	0.29	S	S	*	.	H	α-helix	trans	-71.3	-28.3	176.2	-61.1	-58.3	145.9	0	0	112.5	V680 L714 K720	V680-E718 HydrophobicContact CG1-CB 3.75Å; L714-E718 HydrophobicContact CD1-CG 3.8Å; L714-E718 HydrophobicContact CG-CG 4.37Å; L714-E718 WeakPolarHBondContact O-CB 3.38Å; L714-E718 WeakPolarHBondContact O-CG 3.39Å; L714-E718 PolarHBondContact O-N 2.86Å; E718-K720 VanDerWaalsContact C-N 3.3Å
719	G	89.6	Confident	93.6	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-3.2	175.1	0	0	0	0	0	114.8	Y715 E717 G721 I722 F723	Y715-G719 WeakPolarHBondContact O-CA 3.26Å; Y715-G719 PolarHBondContact O-N 3.07Å; E717-G719 VanDerWaalsContact C-N 3.33Å; E717-G719 PolarHBondContact O-N 3.08Å; G719-G721 PolarHBondContact O-N 2.97Å; G719-I722 WeakPolarHBondContact O-CA 3.45Å; G719-I722 WeakPolarHBondContact O-CB 3.5Å; G719-I722 PolarHBondContact O-N 2.91Å; G719-F723 PolarHBondContact O-N 2.91Å
720	K	90	Very high	93.5	Very high	131 Å²	131	56.4 Å²	56.4	57%	0.57	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	132.4	-165.6	-168.6	171.6	-169.2	162.4	0	112.7	E717 E718 I722	E717-K720 WeakPolarHBondContact O-CB 3.23Å; E717-K720 PolarHBondContact O-N 3.4Å; E717-K720 WeakPolarHBondContact OE1-CD 3.46Å; E717-K720 IonicContact OE1-NZ 3.63Å; E717-K720 PolarHBondContact OE1-NZ 2.87Å; E717-K720 IonicContact OE2-NZ 3.68Å; E717-K720 PolarHBondContact OE2-NZ 3.11Å; E718-K720 VanDerWaalsContact C-N 3.3Å; K720-I722 PolarHBondContact O-N 2.97Å
721	G	86.3	Confident	93.4	Very high	77 Å²	77	53.8 Å²	53.8	79%	0.794	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	-14.8	-173.4	0	0	0	0	0	115.2	G719	G719-G721 PolarHBondContact O-N 2.97Å
722	I	90.6	Very high	93.3	Very high	57 Å²	57	60.4 Å²	60.4	29%	0.292	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-46.4	-179.9	-52.8	-174.8	0	0	0	111	R636 V684 M687 G719 K720	R636-I722 VanDerWaalsContact CD-O 3.3Å; R636-I722 WeakPolarHBondContact CD-O 3.46Å; V684-I722 HydrophobicContact CB-CD1 4.43Å; V684-I722 HydrophobicContact CG1-CD1 3.58Å; V684-I722 HydrophobicContact CG1-CG2 4.4Å; V684-I722 HydrophobicContact CG2-CD1 4.05Å; V684-I722 HydrophobicContact CG2-CG2 4.46Å; M687-I722 HydrophobicContact CB-CG2 3.96Å; G719-I722 WeakPolarHBondContact O-CA 3.45Å; G719-I722 WeakPolarHBondContact O-CB 3.5Å; G719-I722 PolarHBondContact O-N 2.91Å; K720-I722 PolarHBondContact O-N 2.97Å
723	F	92.4	Very high	93.2	Very high	13 Å²	13	63.9 Å²	63.9	6%	0.057	34%	0.337	C	S	.	.			trans	-147.3	160.2	174.8	62.9	-102.5	0	0	0	113.3	R636 V638 V680 L683 V684 M687 Y715 G719 S725	R636-F723 HydrophobicContact CB-CB 4.46Å; R636-F723 CarbonylContact O-C 3.5Å; R636-F723 VanDerWaalsContact O-CA 3.24Å; R636-F723 WeakPolarHBondContact O-CA 3.05Å; R636-F723 WeakPolarHBondContact O-CB 3.4Å; V638-F723 HydrophobicContact CB-CD2 4.02Å; V638-F723 HydrophobicContact CB-CE2 4.04Å; V638-F723 HydrophobicContact CG2-CB 4.43Å; V638-F723 HydrophobicContact CG2-CD1 4.27Å; V638-F723 HydrophobicContact CG2-CD2 3.37Å; V638-F723 HydrophobicContact CG2-CE1 4.34Å; V638-F723 HydrophobicContact CG2-CE2 3.48Å; V638-F723 VanDerWaalsContact CG2-CE2 3.48Å; V638-F723 HydrophobicContact CG2-CG 3.79Å; V638-F723 HydrophobicContact CG2-CZ 3.98Å; V680-F723 HydrophobicContact CG1-CZ 4.26Å; L683-F723 HydrophobicContact CB-CE1 4.24Å; V684-F723 HydrophobicContact CG2-CD1 4.43Å; V684-F723 HydrophobicContact CG2-CE1 3.8Å; M687-F723 HydrophobicContact CE-CB 3.81Å; M687-F723 HydrophobicContact CE-CD1 4.31Å; M687-F723 HydrophobicContact CE-CG 4.12Å; M687-F723 HydrophobicContact CG-CB 4.15Å; M687-F723 HydrophobicContact CG-CD1 3.93Å; M687-F723 HydrophobicContact CG-CG 4.42Å; M687-F723 HydrophobicContact SD-CB 4.2Å; Y715-F723 WeakPolarHBondContact O-CE2 3.42Å; G719-F723 PolarHBondContact O-N 2.91Å; F723-S725 WeakPolarHBondContact CE2-OG 2.99Å
724	D	92.1	Very high	93.1	Very high	57 Å²	57	59.3 Å²	59.3	31%	0.305	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	137.8	173.9	178.3	36.6	0	0	0	109.5	R636 R637 V638 R726	R636-D724 PolarHBondContact O-N 2.84Å; R637-D724 CarbonylContact C-O 3.49Å; R637-D724 VanDerWaalsContact CA-O 3.23Å; R637-D724 WeakPolarHBondContact CA-O 3.38Å; R637-D724 WeakPolarHBondContact CG-O 3.39Å; R637-D724 IonicContact CZ-OD2 3.19Å; R637-D724 IonicContact NE-OD2 2.9Å; R637-D724 PolarHBondContact NE-OD2 3.48Å; R637-D724 VanDerWaalsContact NE-OD2 3.14Å; R637-D724 IonicContact NH2-OD2 3.22Å; R637-D724 PolarHBondContact NH2-OD2 3.1Å; V638-D724 PolarHBondContact N-O 2.85Å; D724-R726 VanDerWaalsContact CG-NH1 3.25Å; D724-R726 IonicContact OD1-CZ 3.75Å; D724-R726 IonicContact OD1-NH1 2.85Å; D724-R726 PolarHBondContact OD1-NH1 2.84Å; D724-R726 IonicContact OD1-NH2 3.91Å; D724-R726 IonicContact OD2-CZ 2.72Å; D724-R726 IonicContact OD2-NH1 2.72Å; D724-R726 PolarHBondContact OD2-NH1 3.35Å; D724-R726 IonicContact OD2-NH2 3.02Å; D724-R726 PolarHBondContact OD2-NH2 3.03Å
725	S	93.6	Very high	93	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.007	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	147	-178.3	-72.9	0	0	0	0	111.6	V638 F712 Y715 S716 F723	V638-S725 CarbonylContact O-C 3.47Å; V638-S725 WeakPolarHBondContact O-CA 3.43Å; F712-S725 WeakPolarHBondContact CE2-O 3.28Å; Y715-S725 PolarHBondContact O-OG 2.82Å; S716-S725 WeakPolarHBondContact OG-CB 3.41Å; F723-S725 WeakPolarHBondContact CE2-OG 2.99Å
726	R	94.8	Very high	92.7	Very high	104 Å²	104	61.1 Å²	61.1	39%	0.392	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	136.2	171.6	-71.5	-65.7	177.6	-81.9	-8.8	110.3	V638 F639 I640 D724	V638-R726 PolarHBondContact O-N 2.88Å; F639-R726 CarbonylContact C-O 3.32Å; F639-R726 VanDerWaalsContact CA-O 3.29Å; F639-R726 WeakPolarHBondContact CA-O 3.44Å; F639-R726 HydrophobicContact CD1-CB 3.61Å; F639-R726 HydrophobicContact CE1-CB 3.51Å; F639-R726 HydrophobicContact CE1-CG 4.12Å; F639-R726 HydrophobicContact CG-CB 4.36Å; F639-R726 HydrophobicContact CZ-CB 4.2Å; F639-R726 HydrophobicContact CZ-CG 4.41Å; I640-R726 PolarHBondContact N-O 2.79Å; D724-R726 VanDerWaalsContact CG-NH1 3.25Å; D724-R726 IonicContact OD1-CZ 3.75Å; D724-R726 IonicContact OD1-NH1 2.85Å; D724-R726 PolarHBondContact OD1-NH1 2.84Å; D724-R726 IonicContact OD1-NH2 3.91Å; D724-R726 IonicContact OD2-CZ 2.72Å; D724-R726 IonicContact OD2-NH1 2.72Å; D724-R726 PolarHBondContact OD2-NH1 3.35Å; D724-R726 IonicContact OD2-NH2 3.02Å; D724-R726 PolarHBondContact OD2-NH2 3.03Å
727	K	94.3	Very high	92.5	Very high	85 Å²	85	62 Å²	62	37%	0.37	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	146.6	171	63	-175	-177.2	-177.7	0	110.9	I640 T708 D709 F712	I640-K727 CarbonylContact O-C 3.48Å; I640-K727 VanDerWaalsContact O-CA 3.32Å; I640-K727 WeakPolarHBondContact O-CA 3.31Å; T708-K727 HydrophobicContact CG2-CB 3.79Å; T708-K727 HydrophobicContact CG2-CD 4.3Å; D709-K727 WeakPolarHBondContact OD1-CD 3.46Å; D709-K727 WeakPolarHBondContact OD1-CE 3.27Å; D709-K727 IonicContact OD1-NZ 3.48Å; D709-K727 PolarHBondContact OD1-NZ 3.24Å; D709-K727 IonicContact OD2-NZ 3.38Å; D709-K727 PolarHBondContact OD2-NZ 2.95Å; F712-K727 HydrophobicContact CB-CB 4.23Å; F712-K727 HydrophobicContact CB-CD 4.19Å; F712-K727 HydrophobicContact CD1-CD 4.25Å; F712-K727 HydrophobicContact CD2-CB 4.05Å; F712-K727 HydrophobicContact CD2-CD 4.42Å; F712-K727 HydrophobicContact CD2-CG 4.17Å; F712-K727 HydrophobicContact CG-CB 4.26Å; F712-K727 HydrophobicContact CG-CD 4.01Å; F712-K727 HydrophobicContact CG-CG 4.27Å
728	N	94.8	Very high	92.3	Very high	58 Å²	58	60 Å²	60	31%	0.31	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	123.6	169.6	-166.2	27.4	0	0	0	110.5	I640 I641 E642	I640-N728 PolarHBondContact O-N 3.35Å; I641-N728 WeakPolarHBondContact CA-O 3.33Å; E642-N728 PolarHBondContact N-O 3.48Å
729	V	95.4	Very high	92.5	Very high	74 Å²	74	54.4 Å²	54.4	45%	0.448	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	111.5	176.7	178	0	0	0	0	107.9	E642 G731	E642-V729 HydrophobicContact CB-CB 4.36Å; E642-V729 HydrophobicContact CB-CG1 4.32Å; E642-V729 HydrophobicContact CB-CG2 4Å; E642-V729 WeakPolarHBondContact OE1-CG1 3.03Å; V729-G731 VanDerWaalsContact C-N 3.32Å; V729-G731 PolarHBondContact O-N 3.46Å
730	L	94.4	Very high	92.8	Very high	7 Å²	7	54.9 Å²	54.9	4%	0.037	32%	0.317	C	S	.	.			trans	-71	-30.7	-175.1	-59.6	-175.2	0	0	0	112.5	I620 T623 I641 E642 T643 M733 Q734	I620-L730 HydrophobicContact CB-CD1 4.21Å; I620-L730 HydrophobicContact CG1-CD1 3.91Å; I620-L730 HydrophobicContact CG2-CD1 3.88Å; T623-L730 HydrophobicContact CG2-CD2 3.54Å; I641-L730 HydrophobicContact CG2-CD1 3.64Å; I641-L730 HydrophobicContact CG2-CD2 4.03Å; I641-L730 HydrophobicContact CG2-CG 3.63Å; E642-L730 PolarHBondContact O-N 3.23Å; T643-L730 HydrophobicContact CG2-CD1 4.5Å; L730-M733 WeakPolarHBondContact O-CB 3.46Å; L730-M733 VanDerWaalsContact O-CE 3.26Å; L730-M733 WeakPolarHBondContact O-CE 3.43Å; L730-M733 PolarHBondContact O-N 3.03Å; L730-Q734 HydrophobicContact CB-CG 3.71Å; L730-Q734 HydrophobicContact CD1-CG 4.13Å
731	G	93.6	Very high	93.1	Very high	23 Å²	23	48.8 Å²	48.8	24%	0.237	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	50.1	-141.1	179.6	0	0	0	0	0	112.8	M644 V729 M733 Q734	M644-G731 VanDerWaalsContact SD-O 3.33Å; V729-G731 VanDerWaalsContact C-N 3.32Å; V729-G731 PolarHBondContact O-N 3.46Å; G731-M733 PolarHBondContact O-N 2.84Å; G731-M733 VanDerWaalsContact O-N 3.1Å; G731-Q734 WeakPolarHBondContact O-CB 3.38Å; G731-Q734 WeakPolarHBondContact O-CG 3.36Å; G731-Q734 PolarHBondContact O-N 2.96Å; G731-Q734 PolarHBondContact O-NE2 2.81Å
732	H	93.8	Very high	93.5	Very high	139 Å²	139	46.9 Å²	46.9	64%	0.644	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-65.2	-12.6	-173.2	-70	87.6	0	0	0	115.3	Q734 Q735	H732-Q734 PolarHBondContact O-N 3.39Å; H732-Q734 VanDerWaalsContact O-N 3.1Å; H732-Q735 PolarHBondContact O-N 3.05Å
733	M	92.6	Very high	93.8	Very high	116 Å²	116	44.2 Å²	44.2	57%	0.571	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-56.3	-28.4	172.4	-64.5	-172.9	-70.9	0	0	111.6	T619 L730 G731 Q735 G736	T619-M733 WeakPolarHBondContact CG2-O 3.17Å; L730-M733 WeakPolarHBondContact O-CB 3.46Å; L730-M733 VanDerWaalsContact O-CE 3.26Å; L730-M733 WeakPolarHBondContact O-CE 3.43Å; L730-M733 PolarHBondContact O-N 3.03Å; G731-M733 PolarHBondContact O-N 2.84Å; G731-M733 VanDerWaalsContact O-N 3.1Å; M733-Q735 PolarHBondContact O-N 3.05Å; M733-G736 PolarHBondContact O-N 2.98Å
734	Q	93.9	Very high	94	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.009	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-65.5	-11.9	177.5	-62.7	171.7	92.5	0	0	114.3	A616 I620 M644 L730 G731 H732 G736	A616-Q734 WeakPolarHBondContact CA-O 3.05Å; A616-Q734 WeakPolarHBondContact CB-O 3.27Å; I620-Q734 HydrophobicContact CD1-CG 4.28Å; I620-Q734 HydrophobicContact CG1-CG 3.79Å; M644-Q734 VanDerWaalsContact CG-NE2 3.28Å; M644-Q734 VanDerWaalsContact N-NE2 3.18Å; M644-Q734 HydrophobicContact SD-CB 4.27Å; L730-Q734 HydrophobicContact CB-CG 3.71Å; L730-Q734 HydrophobicContact CD1-CG 4.13Å; G731-Q734 WeakPolarHBondContact O-CB 3.38Å; G731-Q734 WeakPolarHBondContact O-CG 3.36Å; G731-Q734 PolarHBondContact O-N 2.96Å; G731-Q734 PolarHBondContact O-NE2 2.81Å; H732-Q734 PolarHBondContact O-N 3.39Å; H732-Q734 VanDerWaalsContact O-N 3.1Å; Q734-G736 PolarHBondContact O-N 3.32Å
735	Q	92.6	Very high	94.1	Very high	42 Å²	42	41.8 Å²	41.8	20%	0.196	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-72.4	-14.8	170.2	-67.9	178.1	-7.2	0	0	112.7	V600 H732 M733	V600-Q735 HydrophobicContact CG1-CG 4.34Å; H732-Q735 PolarHBondContact O-N 3.05Å; M733-Q735 PolarHBondContact O-N 3.05Å
736	G	89.5	Confident	94.1	Very high	29 Å²	29	42.5 Å²	42.5	30%	0.299	24%	0.238	S	C	.	.			trans	75.4	173.9	-178.1	0	0	0	0	0	113.8	M733 Q734	M733-G736 PolarHBondContact O-N 2.98Å; Q734-G736 PolarHBondContact O-N 3.32Å
737	G	89.9	Confident	94.1	Very high	54 Å²	54	37.6 Å²	37.6	56%	0.557	22%	0.219	S	C	*	.	S	Bend	trans	-96.3	-105.5	168.5	0	0	0	0	0	109.7	G534	G534-G737 VanDerWaalsContact CA-O 3.24Å; G534-G737 WeakPolarHBondContact CA-O 3.29Å
738	S	91.9	Very high	94.2	Very high	71 Å²	71	33.5 Å²	33.5	50%	0.497	20%	0.202	S	C	.	.	S	Bend	trans	-67.3	139	170.4	-51.4	0	0	0	0	111.2
739	P	95.6	Very high	94.1	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.019	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-63.2	150.8	174.1	23.2	-31.1	0	0	0	112.4	A484 T615 D743 R744	A484-P739 HydrophobicContact CB-CB 3.89Å; T615-P739 WeakPolarHBondContact OG1-CA 3.4Å; P739-D743 HydrophobicContact CB-CB 4.26Å; P739-R744 HydrophobicContact CB-CG 3.9Å; P739-R744 HydrophobicContact CG-CG 3.68Å; P739-R744 PolarHBondContact O-NE 2.9Å; P739-R744 PolarHBondContact O-NH2 3.2Å
740	T	96.8	Very high	94	Very high	9 Å²	9	29 Å²	29	6%	0.055	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-69.6	161.7	175.3	60.1	0	0	0	0	112.1	H254 D614 T615 N618 F742 D743 R744	H254-T740 VanDerWaalsContact CE1-CG2 3.41Å; H254-T740 WeakPolarHBondContact CE1-CG2 3.4Å; D614-T740 WeakPolarHBondContact OD2-CB 3.3Å; D614-T740 WeakPolarHBondContact OD2-CG2 3.34Å; D614-T740 PolarHBondContact OD2-OG1 2.8Å; T615-T740 HydrophobicContact CG2-CG2 4.29Å; T615-T740 PolarHBondContact OG1-N 3.01Å; T615-T740 PolarHBondContact OG1-OG1 3.48Å; N618-T740 HydrophobicContact CB-CG2 4.26Å; T740-F742 PolarHBondContact O-N 2.95Å; T740-D743 PolarHBondContact O-N 2.81Å; T740-D743 PolarHBondContact OG1-N 2.64Å; T740-R744 VanDerWaalsContact O-CG 3.3Å; T740-R744 WeakPolarHBondContact O-CG 3.5Å; T740-R744 PolarHBondContact O-N 3.1Å
741	P	96	Very high	94.1	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.019	17%	0.172	C	C	.	.	H	α-helix	trans	-56.7	-39.3	175.4	-17.4	28.3	0	0	0	112	L253 H254 I257 S293 R744 N745	L253-P741 VanDerWaalsContact C-CG 3.47Å; L253-P741 HydrophobicContact CB-CB 3.76Å; L253-P741 HydrophobicContact CB-CG 3.89Å; L253-P741 WeakPolarHBondContact O-CG 3.36Å; H254-P741 HydrophobicContact CB-CG 4.43Å; H254-P741 VanDerWaalsContact CD2-CD 3.43Å; H254-P741 WeakPolarHBondContact CD2-CD 3.46Å; I257-P741 HydrophobicContact CB-CG 4.14Å; I257-P741 HydrophobicContact CG1-CB 4.09Å; I257-P741 HydrophobicContact CG1-CG 3.92Å; S293-P741 PolarHBondContact OG-O 2.62Å; P741-R744 PolarHBondContact O-N 3.45Å; P741-N745 VanDerWaalsContact O-CB 3.31Å; P741-N745 WeakPolarHBondContact O-CB 3.43Å; P741-N745 PolarHBondContact O-N 3.25Å
742	F	95.1	Very high	94	Very high	38 Å²	38	27.6 Å²	27.6	17%	0.167	16%	0.16	C	C	.	.	H	α-helix	trans	-58	-55.7	174.4	-174.6	-87.5	0	0	0	111.4	D614 T740 R744 N745 F746	D614-F742 HydrophobicContact CB-CB 4.43Å; D614-F742 HydrophobicContact CB-CD1 3.81Å; D614-F742 HydrophobicContact CB-CG 4.38Å; T740-F742 PolarHBondContact O-N 2.95Å; F742-R744 VanDerWaalsContact C-N 3.34Å; F742-R744 PolarHBondContact O-N 3.17Å; F742-N745 PolarHBondContact O-N 2.89Å; F742-F746 HydrophobicContact CD1-CB 4.47Å; F742-F746 HydrophobicContact CE1-CB 4.26Å; F742-F746 HydrophobicContact CE1-CG 4.36Å; F742-F746 WeakPolarHBondContact O-CB 3.13Å; F742-F746 PolarHBondContact O-N 2.87Å
743	D	96.6	Very high	94	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.3	-37.5	-179.2	-85	-40.1	0	0	0	112.5	G612 T615 P739 T740 A747	G612-D743 WeakPolarHBondContact CA-OD2 3.29Å; G612-D743 PolarHBondContact N-OD1 3.47Å; G612-D743 PolarHBondContact N-OD2 3.2Å; T615-D743 VanDerWaalsContact CB-OD2 3.29Å; T615-D743 WeakPolarHBondContact CB-OD2 3.3Å; T615-D743 PolarHBondContact N-OD2 3.26Å; T615-D743 PolarHBondContact OG1-OD2 3.31Å; P739-D743 HydrophobicContact CB-CB 4.26Å; T740-D743 PolarHBondContact O-N 2.81Å; T740-D743 PolarHBondContact OG1-N 2.64Å; D743-A747 WeakPolarHBondContact O-CB 3.28Å; D743-A747 PolarHBondContact O-N 2.76Å
744	R	96	Very high	94.2	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.015	12%	0.119	C	C	.	.	H	α-helix	trans	-62.9	-48.3	175.4	-69.2	-175.1	-150	-162.3	1	112.1	D261 S293 T531 G532 P739 T740 P741 F742 T748	D261-R744 IonicContact OD1-CZ 3.51Å; D261-R744 IonicContact OD1-NH1 3.69Å; D261-R744 PolarHBondContact OD1-NH1 3.16Å; D261-R744 IonicContact OD1-NH2 3.68Å; D261-R744 IonicContact OD2-CZ 2.76Å; D261-R744 IonicContact OD2-NH1 2.72Å; D261-R744 PolarHBondContact OD2-NH1 2.77Å; D261-R744 IonicContact OD2-NH2 3.98Å; D261-R744 PolarHBondContact OD2-NH2 2.71Å; S293-R744 WeakPolarHBondContact O-CD 3.43Å; T531-R744 HydrophobicContact CG2-CB 4.32Å; T531-R744 HydrophobicContact CG2-CG 4.48Å; T531-R744 WeakPolarHBondContact O-CG 3.49Å; G532-R744 VanDerWaalsContact CA-NH1 3.33Å; P739-R744 HydrophobicContact CB-CG 3.9Å; P739-R744 HydrophobicContact CG-CG 3.68Å; P739-R744 PolarHBondContact O-NE 2.9Å; P739-R744 PolarHBondContact O-NH2 3.2Å; T740-R744 VanDerWaalsContact O-CG 3.3Å; T740-R744 WeakPolarHBondContact O-CG 3.5Å; T740-R744 PolarHBondContact O-N 3.1Å; P741-R744 PolarHBondContact O-N 3.45Å; F742-R744 VanDerWaalsContact C-N 3.34Å; F742-R744 PolarHBondContact O-N 3.17Å; R744-T748 VanDerWaalsContact O-CB 3.28Å; R744-T748 WeakPolarHBondContact O-CB 3.47Å; R744-T748 PolarHBondContact O-N 3.38Å; R744-T748 VanDerWaalsContact O-N 3.07Å; R744-T748 PolarHBondContact O-OG1 3.23Å
745	N	94.5	Very high	94.2	Very high	16 Å²	16	19 Å²	19	9%	0.086	12%	0.118	C	C	.	.	H	α-helix	trans	-67.2	-48.8	179.6	-174	16.9	0	0	0	111	V289 P741 F742 T748 K749	V289-N745 HydrophobicContact CG1-CB 4.21Å; P741-N745 VanDerWaalsContact O-CB 3.31Å; P741-N745 WeakPolarHBondContact O-CB 3.43Å; P741-N745 PolarHBondContact O-N 3.25Å; F742-N745 PolarHBondContact O-N 2.89Å; N745-T748 PolarHBondContact O-N 2.83Å; N745-K749 WeakPolarHBondContact O-CG 3.34Å; N745-K749 PolarHBondContact O-N 2.62Å; N745-K749 WeakPolarHBondContact OD1-CD 3.35Å
746	F	94.2	Very high	94.1	Very high	16 Å²	16	20.6 Å²	20.6	7%	0.07	13%	0.128	C	C	.	.	H	α-helix	trans	-59	-51.5	179.4	-173.4	-116.3	0	0	0	111.2	F609 V611 F742 T748 K749 M750 M784 L789	F609-F746 HydrophobicContact CB-CE1 4.42Å; F609-F746 HydrophobicContact CB-CZ 4.38Å; V611-F746 HydrophobicContact CG2-CD1 3.79Å; V611-F746 HydrophobicContact CG2-CE1 4.14Å; F742-F746 HydrophobicContact CD1-CB 4.47Å; F742-F746 HydrophobicContact CE1-CB 4.26Å; F742-F746 HydrophobicContact CE1-CG 4.36Å; F742-F746 WeakPolarHBondContact O-CB 3.13Å; F742-F746 PolarHBondContact O-N 2.87Å; F746-T748 VanDerWaalsContact C-N 3.3Å; F746-T748 PolarHBondContact O-N 3.41Å; F746-K749 PolarHBondContact O-N 2.84Å; F746-M750 HydrophobicContact CD1-CG 4.29Å; F746-M750 HydrophobicContact CD2-CG 4.4Å; F746-M750 HydrophobicContact CE1-CE 4.05Å; F746-M750 HydrophobicContact CE1-CG 4.11Å; F746-M750 HydrophobicContact CE1-SD 4.44Å; F746-M750 HydrophobicContact CE2-CG 4.24Å; F746-M750 HydrophobicContact CE2-SD 4.12Å; F746-M750 HydrophobicContact CG-CG 4.43Å; F746-M750 HydrophobicContact CZ-CE 3.75Å; F746-M750 HydrophobicContact CZ-CG 4.08Å; F746-M750 HydrophobicContact CZ-SD 3.91Å; F746-M750 WeakPolarHBondContact O-CG 3.44Å; F746-M750 PolarHBondContact O-N 3.48Å; F746-M784 HydrophobicContact CE2-CB 4.18Å; F746-M784 HydrophobicContact CE2-SD 3.9Å; F746-M784 HydrophobicContact CZ-CB 4.12Å; F746-L789 HydrophobicContact CE2-CD2 4.04Å
747	A	95.8	Very high	94.4	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.1	-40.6	175.9	0	0	0	0	0	112.8	G485 A488 A489 V611 D743 M750 G751	G485-A747 VanDerWaalsContact O-CB 3.3Å; G485-A747 WeakPolarHBondContact O-CB 3.48Å; A488-A747 HydrophobicContact CB-CB 3.94Å; A489-A747 WeakPolarHBondContact CA-O 3.2Å; A489-A747 HydrophobicContact CB-CB 4.03Å; V611-A747 HydrophobicContact CG1-CB 3.8Å; V611-A747 HydrophobicContact CG2-CB 3.89Å; D743-A747 WeakPolarHBondContact O-CB 3.28Å; D743-A747 PolarHBondContact O-N 2.76Å; A747-M750 PolarHBondContact O-N 3.12Å; A747-G751 PolarHBondContact O-N 3.1Å
748	T	94.5	Very high	94.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63	-43.9	177.2	-62.1	0	0	0	0	111.6	L292 V455 L459 S492 R744 N745 F746 A752	L292-T748 HydrophobicContact CD2-CG2 4.48Å; V455-T748 HydrophobicContact CG1-CG2 4.29Å; L459-T748 HydrophobicContact CD1-CG2 3.56Å; S492-T748 VanDerWaalsContact CB-O 3.28Å; S492-T748 WeakPolarHBondContact CB-O 3.26Å; S492-T748 PolarHBondContact OG-O 2.78Å; R744-T748 VanDerWaalsContact O-CB 3.28Å; R744-T748 WeakPolarHBondContact O-CB 3.47Å; R744-T748 PolarHBondContact O-N 3.38Å; R744-T748 VanDerWaalsContact O-N 3.07Å; R744-T748 PolarHBondContact O-OG1 3.23Å; N745-T748 PolarHBondContact O-N 2.83Å; F746-T748 VanDerWaalsContact C-N 3.3Å; F746-T748 PolarHBondContact O-N 3.41Å; T748-A752 WeakPolarHBondContact O-CB 3.46Å; T748-A752 PolarHBondContact O-N 2.94Å; T748-A752 VanDerWaalsContact O-N 3.12Å
749	K	92.7	Very high	94.3	Very high	37 Å²	37	15.6 Å²	15.6	16%	0.161	7%	0.074	C	C	.	.	H	α-helix	trans	-66.1	-41	176.5	-69.2	169.4	68.9	162.8	0	112	N452 N745 F746 A752 K753	N452-K749 WeakPolarHBondContact OD1-CD 3.38Å; N452-K749 WeakPolarHBondContact OD1-CE 3.42Å; N452-K749 PolarHBondContact OD1-NZ 3.25Å; N745-K749 WeakPolarHBondContact O-CG 3.34Å; N745-K749 PolarHBondContact O-N 2.62Å; N745-K749 WeakPolarHBondContact OD1-CD 3.35Å; F746-K749 PolarHBondContact O-N 2.84Å; K749-A752 PolarHBondContact O-N 3.49Å; K749-K753 WeakPolarHBondContact O-CB 3.23Å; K749-K753 PolarHBondContact O-N 3.14Å
750	M	94.6	Very high	94	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.5	-48.6	177.6	-66.3	-71.3	-98.1	0	0	111.4	I596 F746 A747 A752 K753 A754 L782 L789	I596-M750 HydrophobicContact CD1-CB 4.38Å; I596-M750 HydrophobicContact CG2-CB 3.87Å; I596-M750 HydrophobicContact CG2-CE 4.35Å; I596-M750 HydrophobicContact CG2-CG 4.47Å; F746-M750 HydrophobicContact CD1-CG 4.29Å; F746-M750 HydrophobicContact CD2-CG 4.4Å; F746-M750 HydrophobicContact CE1-CE 4.05Å; F746-M750 HydrophobicContact CE1-CG 4.11Å; F746-M750 HydrophobicContact CE1-SD 4.44Å; F746-M750 HydrophobicContact CE2-CG 4.24Å; F746-M750 HydrophobicContact CE2-SD 4.12Å; F746-M750 HydrophobicContact CG-CG 4.43Å; F746-M750 HydrophobicContact CZ-CE 3.75Å; F746-M750 HydrophobicContact CZ-CG 4.08Å; F746-M750 HydrophobicContact CZ-SD 3.91Å; F746-M750 WeakPolarHBondContact O-CG 3.44Å; F746-M750 PolarHBondContact O-N 3.48Å; A747-M750 PolarHBondContact O-N 3.12Å; M750-A752 PolarHBondContact O-N 3.41Å; M750-K753 PolarHBondContact O-N 3.28Å; M750-A754 WeakPolarHBondContact O-CB 3.5Å; M750-A754 PolarHBondContact O-N 2.88Å; M750-L782 HydrophobicContact CB-CD2 4.49Å; M750-L782 HydrophobicContact CE-CG 4.18Å; M750-L782 WeakPolarHBondContact CE-O 3.43Å; M750-L782 VanDerWaalsContact O-CD2 3.32Å; M750-L782 WeakPolarHBondContact O-CD2 3.48Å; M750-L782 HydrophobicContact SD-CD2 4.11Å; M750-L782 HydrophobicContact SD-CG 3.91Å; M750-L789 HydrophobicContact SD-CD1 4.09Å; M750-L789 HydrophobicContact SD-CD2 3.61Å; M750-L789 HydrophobicContact SD-CG 4.45Å
751	G	95.2	Very high	93.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.6	-40.6	177.5	0	0	0	0	0	113.5	T493 A747 M755	T493-G751 VanDerWaalsContact OG1-CA 3.31Å; T493-G751 WeakPolarHBondContact OG1-CA 3.49Å; A747-G751 PolarHBondContact O-N 3.1Å; G751-M755 PolarHBondContact O-N 3.16Å; G751-M755 VanDerWaalsContact O-N 3.14Å
752	A	93.4	Very high	93.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.3	-47.1	176.7	0	0	0	0	0	112.2	V455 S492 I496 T748 K749 M750 M755 N756	V455-A752 HydrophobicContact CG1-CB 4.12Å; V455-A752 HydrophobicContact CG2-CB 4.27Å; S492-A752 PolarHBondContact OG-N 2.76Å; I496-A752 HydrophobicContact CG1-CB 3.93Å; T748-A752 WeakPolarHBondContact O-CB 3.46Å; T748-A752 PolarHBondContact O-N 2.94Å; T748-A752 VanDerWaalsContact O-N 3.12Å; K749-A752 PolarHBondContact O-N 3.49Å; M750-A752 PolarHBondContact O-N 3.41Å; A752-M755 PolarHBondContact O-N 3.47Å; A752-N756 PolarHBondContact O-N 3.33Å
753	K	93.8	Very high	93.1	Very high	78 Å²	78	22.6 Å²	22.6	34%	0.339	11%	0.111	S	C	.	.	H	α-helix	trans	-66.6	-38.7	179.1	-177.6	160.9	-177.3	168.2	0	112	K749 M750 M755 N756 W757 L782 L789 F791	K749-K753 WeakPolarHBondContact O-CB 3.23Å; K749-K753 PolarHBondContact O-N 3.14Å; M750-K753 PolarHBondContact O-N 3.28Å; K753-M755 PolarHBondContact O-N 3.24Å; K753-N756 PolarHBondContact O-N 2.81Å; K753-W757 PolarHBondContact O-N 3.41Å; K753-W757 VanDerWaalsContact O-N 3.07Å; K753-L782 HydrophobicContact CB-CD2 4.17Å; K753-L782 HydrophobicContact CD-CD1 4.3Å; K753-L782 HydrophobicContact CG-CD1 4.38Å; K753-L782 HydrophobicContact CG-CD2 4.29Å; K753-L789 HydrophobicContact CD-CB 3.8Å; K753-L789 HydrophobicContact CD-CD1 4.01Å; K753-L789 WeakPolarHBondContact CE-O 3.33Å; K753-L789 PolarHBondContact NZ-O 2.77Å; K753-F791 HydrophobicContact CD-CE2 4.38Å; K753-F791 HydrophobicContact CG-CE2 4.04Å; K753-F791 HydrophobicContact CG-CZ 3.82Å
754	A	95.7	Very high	92.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-58.1	-45.2	174.1	0	0	0	0	0	112.2	V594 I596 M750 W757 M758 L782	V594-A754 HydrophobicContact CG1-CB 3.83Å; V594-A754 HydrophobicContact CG2-CB 4.49Å; I596-A754 HydrophobicContact CD1-CB 3.78Å; I596-A754 HydrophobicContact CG1-CB 4.23Å; M750-A754 WeakPolarHBondContact O-CB 3.5Å; M750-A754 PolarHBondContact O-N 2.88Å; A754-W757 PolarHBondContact O-N 3.39Å; A754-M758 VanDerWaalsContact O-CB 3.3Å; A754-M758 WeakPolarHBondContact O-CB 3.45Å; A754-M758 PolarHBondContact O-N 3.29Å; A754-L782 HydrophobicContact CB-CD2 3.96Å
755	M	93.9	Very high	92.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-70.6	-38	178.3	-74.7	-56.9	-61.3	0	0	114	V474 T493 I496 V565 G751 A752 K753 W757 M758 S759	V474-M755 HydrophobicContact CB-CE 4.03Å; V474-M755 HydrophobicContact CG1-CE 3.95Å; V474-M755 HydrophobicContact CG1-SD 3.83Å; V474-M755 HydrophobicContact CG2-CE 4.03Å; T493-M755 HydrophobicContact CG2-CG 3.56Å; T493-M755 HydrophobicContact CG2-SD 3.5Å; T493-M755 WeakPolarHBondContact CG2-SD 3.01Å; T493-M755 WeakPolarHBondContact O-CG 3.18Å; I496-M755 HydrophobicContact CB-CB 4.16Å; I496-M755 HydrophobicContact CG2-CB 3.72Å; V565-M755 HydrophobicContact CG2-SD 3.85Å; G751-M755 PolarHBondContact O-N 3.16Å; G751-M755 VanDerWaalsContact O-N 3.14Å; A752-M755 PolarHBondContact O-N 3.47Å; K753-M755 PolarHBondContact O-N 3.24Å; M755-W757 VanDerWaalsContact C-N 3.31Å; M755-W757 PolarHBondContact O-N 3.49Å; M755-M758 PolarHBondContact O-N 3.21Å; M755-M758 HydrophobicContact SD-CB 4.49Å; M755-S759 PolarHBondContact O-N 2.99Å; M755-S759 PolarHBondContact O-OG 3.25Å
756	N	91.6	Very high	91.7	Very high	74 Å²	74	33.4 Å²	33.4	40%	0.396	16%	0.158	S	C	.	.	H	α-helix	trans	-59.8	-43.9	174.4	-71	-7.2	0	0	0	111.2	I496 Q500 A752 K753 G760	I496-N756 WeakPolarHBondContact CG2-OD1 3.2Å; Q500-N756 PolarHBondContact NE2-OD1 2.58Å; A752-N756 PolarHBondContact O-N 3.33Å; K753-N756 PolarHBondContact O-N 2.81Å; N756-G760 PolarHBondContact O-N 2.87Å
757	W	93.8	Very high	90.8	Very high	37 Å²	37	40.3 Å²	40.3	14%	0.14	18%	0.183	C	C	.	.	H	α-helix	trans	-67.2	-42.9	174.5	175.8	92	0	0	0	112.5	F593 V594 K753 A754 M755 S759 G760 K761 D777 C780 F791	F593-W757 WeakPolarHBondContact O-CH2 3.47Å; V594-W757 HydrophobicContact CB-CE3 4.07Å; V594-W757 HydrophobicContact CB-CH2 4.48Å; V594-W757 HydrophobicContact CB-CZ3 3.74Å; V594-W757 HydrophobicContact CG1-CE3 4.42Å; V594-W757 HydrophobicContact CG1-CZ3 4.35Å; K753-W757 PolarHBondContact O-N 3.41Å; K753-W757 VanDerWaalsContact O-N 3.07Å; A754-W757 PolarHBondContact O-N 3.39Å; M755-W757 VanDerWaalsContact C-N 3.31Å; M755-W757 PolarHBondContact O-N 3.49Å; W757-S759 PolarHBondContact O-N 2.89Å; W757-G760 PolarHBondContact O-N 2.67Å; W757-G760 VanDerWaalsContact O-N 3.1Å; W757-K761 HydrophobicContact CD2-CG 3.99Å; W757-K761 HydrophobicContact CE3-CG 4.42Å; W757-K761 HydrophobicContact CH2-CG 4.2Å; W757-K761 HydrophobicContact CZ2-CD 4.37Å; W757-K761 HydrophobicContact CZ2-CG 3.77Å; W757-K761 HydrophobicContact CZ3-CG 4.49Å; W757-K761 PolarHBondContact O-N 2.99Å; W757-D777 WeakPolarHBondContact CZ2-O 3.49Å; W757-C780 HydrophobicContact CH2-CB 4.2Å; W757-C780 HydrophobicContact CZ2-CB 4Å; W757-F791 HydrophobicContact CB-CD1 4.44Å; W757-F791 HydrophobicContact CB-CE1 3.6Å; W757-F791 HydrophobicContact CB-CE2 3.71Å; W757-F791 HydrophobicContact CB-CZ 3.18Å; W757-F791 AromaticContact CD1-CD1 3.88Å; W757-F791 AromaticContact CD1-CD2 3.56Å; W757-F791 AromaticContact CD1-CE1 3.89Å; W757-F791 AromaticContact CD1-CE2 3.57Å; W757-F791 AromaticContact CD1-CG 3.72Å; W757-F791 AromaticContact CD1-CZ 3.75Å; W757-F791 AromaticContact CD2-CD1 3.77Å; W757-F791 HydrophobicContact CD2-CD1 3.77Å; W757-F791 AromaticContact CD2-CE1 3.65Å; W757-F791 HydrophobicContact CD2-CE1 3.65Å; W757-F791 HydrophobicContact CD2-CG 4.34Å; W757-F791 HydrophobicContact CD2-CZ 4.15Å; W757-F791 AromaticContact CE2-CD1 3.8Å; W757-F791 HydrophobicContact CE3-CD1 4.38Å; W757-F791 HydrophobicContact CE3-CE1 4.13Å; W757-F791 AromaticContact CG-CD1 3.81Å; W757-F791 HydrophobicContact CG-CD1 3.81Å; W757-F791 HydrophobicContact CG-CD2 4.08Å; W757-F791 AromaticContact CG-CE1 3.43Å; W757-F791 HydrophobicContact CG-CE1 3.43Å; W757-F791 VanDerWaalsContact CG-CE1 3.43Å; W757-F791 AromaticContact CG-CE2 3.73Å; W757-F791 HydrophobicContact CG-CE2 3.73Å; W757-F791 HydrophobicContact CG-CG 4.11Å; W757-F791 AromaticContact CG-CZ 3.41Å; W757-F791 HydrophobicContact CG-CZ 3.41Å; W757-F791 VanDerWaalsContact CG-CZ 3.41Å; W757-F791 HydrophobicContact CZ2-CD1 4.4Å; W757-F791 AromaticContact NE1-CD1 3.86Å; W757-F791 AromaticContact NE1-CD2 3.94Å; W757-F791 AromaticContact NE1-CG 3.68Å
758	M	93	Very high	89.5	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-56.5	-49.1	178.1	-173	60.4	65.9	0	0	111.4	V474 L564 V565 P592 V594 A754 M755 G760 K761 I762	V474-M758 HydrophobicContact CG1-CG 4.05Å; V474-M758 HydrophobicContact CG2-CG 4.07Å; L564-M758 WeakPolarHBondContact O-CE 3.49Å; V565-M758 HydrophobicContact CG2-CE 4.03Å; P592-M758 HydrophobicContact CB-SD 4.01Å; P592-M758 HydrophobicContact CG-SD 3.91Å; V594-M758 HydrophobicContact CB-CE 4.37Å; V594-M758 HydrophobicContact CG1-CE 3.72Å; A754-M758 VanDerWaalsContact O-CB 3.3Å; A754-M758 WeakPolarHBondContact O-CB 3.45Å; A754-M758 PolarHBondContact O-N 3.29Å; M755-M758 PolarHBondContact O-N 3.21Å; M755-M758 HydrophobicContact SD-CB 4.49Å; M758-G760 VanDerWaalsContact C-N 3.27Å; M758-G760 PolarHBondContact O-N 3.06Å; M758-K761 PolarHBondContact O-N 3.07Å; M758-I762 HydrophobicContact CG-CD1 3.78Å; M758-I762 HydrophobicContact CG-CG1 4.4Å; M758-I762 WeakPolarHBondContact O-CB 3.26Å; M758-I762 VanDerWaalsContact O-CG1 3.27Å; M758-I762 WeakPolarHBondContact O-CG1 3.13Å; M758-I762 PolarHBondContact O-N 3.17Å; M758-I762 HydrophobicContact SD-CD1 4.1Å; M758-I762 HydrophobicContact SD-CG1 4.26Å
759	S	88.7	Confident	88.3	Confident	12 Å²	12	51.1 Å²	51.1	8%	0.084	25%	0.254	C	S	.	.	H	α-helix	trans	-66.8	-24.6	178.5	-70.4	0	0	0	0	113.8	Q500 N502 M755 W757 K763	Q500-S759 PolarHBondContact OE1-OG 3.4Å; N502-S759 PolarHBondContact ND2-OG 3.14Å; M755-S759 PolarHBondContact O-N 2.99Å; M755-S759 PolarHBondContact O-OG 3.25Å; W757-S759 PolarHBondContact O-N 2.89Å; S759-K763 WeakPolarHBondContact O-CD 3.4Å; S759-K763 WeakPolarHBondContact O-CG 3.44Å
760	G	89.1	Confident	87.6	Confident	27 Å²	27	55.6 Å²	55.6	28%	0.278	27%	0.27	S	S	.	.	H	α-helix	trans	-72	-56	168.2	0	0	0	0	0	111.6	N756 W757 M758 I762 K763 E764	N756-G760 PolarHBondContact O-N 2.87Å; W757-G760 PolarHBondContact O-N 2.67Å; W757-G760 VanDerWaalsContact O-N 3.1Å; M758-G760 VanDerWaalsContact C-N 3.27Å; M758-G760 PolarHBondContact O-N 3.06Å; G760-I762 VanDerWaalsContact C-N 3.31Å; G760-I762 PolarHBondContact O-N 3.02Å; G760-K763 WeakPolarHBondContact O-CB 3.3Å; G760-K763 PolarHBondContact O-N 3.49Å; G760-E764 PolarHBondContact O-N 3.38Å
761	K	91.6	Very high	87.1	Confident	29 Å²	29	56.5 Å²	56.5	13%	0.126	28%	0.275	C	S	.	.	H	α-helix	trans	-61.9	-34.3	-177.8	-77.5	-72.7	165	-159.1	0	113.8	P592 W757 M758 K763 E764 S765 D777	P592-K761 HydrophobicContact CB-CB 4.14Å; W757-K761 HydrophobicContact CD2-CG 3.99Å; W757-K761 HydrophobicContact CE3-CG 4.42Å; W757-K761 HydrophobicContact CH2-CG 4.2Å; W757-K761 HydrophobicContact CZ2-CD 4.37Å; W757-K761 HydrophobicContact CZ2-CG 3.77Å; W757-K761 HydrophobicContact CZ3-CG 4.49Å; W757-K761 PolarHBondContact O-N 2.99Å; M758-K761 PolarHBondContact O-N 3.07Å; K761-K763 VanDerWaalsContact C-N 3.34Å; K761-E764 WeakPolarHBondContact CD-OE2 3.31Å; K761-E764 WeakPolarHBondContact CE-OE2 3.49Å; K761-E764 IonicContact NZ-OE2 3.22Å; K761-E764 PolarHBondContact NZ-OE2 2.92Å; K761-E764 PolarHBondContact O-N 3.43Å; K761-S765 WeakPolarHBondContact O-CB 3.45Å; K761-S765 PolarHBondContact O-N 3.16Å; K761-S765 PolarHBondContact O-OG 3.31Å; K761-D777 WeakPolarHBondContact CE-OD2 3.41Å; K761-D777 IonicContact NZ-OD2 2.89Å; K761-D777 PolarHBondContact NZ-OD2 3.5Å
762	I	90.2	Very high	86.7	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59.7	-44.2	172.6	-78	172.9	0	0	0	111.2	H472 V474 P592 M758 G760 S765 Y766 I771	H472-I762 HydrophobicContact CB-CD1 4.32Å; H472-I762 HydrophobicContact CB-CG2 4.08Å; H472-I762 VanDerWaalsContact CE1-CG2 3.47Å; H472-I762 WeakPolarHBondContact CE1-CG2 3.13Å; H472-I762 VanDerWaalsContact CG-CG2 3.43Å; H472-I762 WeakPolarHBondContact ND1-CG2 3.5Å; V474-I762 HydrophobicContact CG2-CD1 3.77Å; P592-I762 HydrophobicContact CG-CG1 3.62Å; M758-I762 HydrophobicContact CG-CD1 3.78Å; M758-I762 HydrophobicContact CG-CG1 4.4Å; M758-I762 WeakPolarHBondContact O-CB 3.26Å; M758-I762 VanDerWaalsContact O-CG1 3.27Å; M758-I762 WeakPolarHBondContact O-CG1 3.13Å; M758-I762 PolarHBondContact O-N 3.17Å; M758-I762 HydrophobicContact SD-CD1 4.1Å; M758-I762 HydrophobicContact SD-CG1 4.26Å; G760-I762 VanDerWaalsContact C-N 3.31Å; G760-I762 PolarHBondContact O-N 3.02Å; I762-S765 PolarHBondContact O-N 2.89Å; I762-Y766 PolarHBondContact O-N 2.83Å; I762-I771 HydrophobicContact CB-CD1 4.43Å; I762-I771 HydrophobicContact CG1-CD1 4.33Å; I762-I771 HydrophobicContact CG2-CD1 3.68Å
763	K	87.2	Confident	86.4	Confident	145 Å²	145	59.2 Å²	59.2	63%	0.63	29%	0.287	S	S	*	.	H	α-helix	trans	-68.4	-42.5	178.5	-67.8	173.4	-176.4	-178.1	0	111.9	S759 G760 K761 S765 Y766	S759-K763 WeakPolarHBondContact O-CD 3.4Å; S759-K763 WeakPolarHBondContact O-CG 3.44Å; G760-K763 WeakPolarHBondContact O-CB 3.3Å; G760-K763 PolarHBondContact O-N 3.49Å; K761-K763 VanDerWaalsContact C-N 3.34Å; K763-S765 VanDerWaalsContact C-N 3.27Å; K763-S765 PolarHBondContact O-N 2.77Å; K763-Y766 PolarHBondContact O-N 3.29Å
764	E	87.4	Confident	86	Confident	115 Å²	115	59.7 Å²	59.7	54%	0.537	29%	0.293	S	S	.	.	H	α-helix	trans	-62.2	-33.8	174.7	-68.3	169.5	-153.7	0	0	112.9	G760 K761	G760-E764 PolarHBondContact O-N 3.38Å; K761-E764 WeakPolarHBondContact CD-OE2 3.31Å; K761-E764 WeakPolarHBondContact CE-OE2 3.49Å; K761-E764 IonicContact NZ-OE2 3.22Å; K761-E764 PolarHBondContact NZ-OE2 2.92Å; K761-E764 PolarHBondContact O-N 3.43Å
765	S	86.3	Confident	85.7	Confident	11 Å²	11	63 Å²	63	8%	0.077	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	0.8	-176.9	-53.7	0	0	0	0	113.8	K761 I762 K763 R767 I771 F772 A773	K761-S765 WeakPolarHBondContact O-CB 3.45Å; K761-S765 PolarHBondContact O-N 3.16Å; K761-S765 PolarHBondContact O-OG 3.31Å; I762-S765 PolarHBondContact O-N 2.89Å; K763-S765 VanDerWaalsContact C-N 3.27Å; K763-S765 PolarHBondContact O-N 2.77Å; S765-R767 PolarHBondContact O-N 3.12Å; S765-I771 WeakPolarHBondContact O-CA 3.32Å; S765-F772 PolarHBondContact O-N 3.04Å; S765-A773 WeakPolarHBondContact OG-CB 3.44Å
766	Y	83.9	Confident	85.5	Confident	120 Å²	120	66.3 Å²	66.3	47%	0.471	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	112.8	-179.5	-167.1	-98.4	0	0	0	110.6	I762 K763 G769 I771	I762-Y766 PolarHBondContact O-N 2.83Å; K763-Y766 PolarHBondContact O-N 3.29Å; Y766-G769 WeakPolarHBondContact OH-CA 3.47Å; Y766-G769 PolarHBondContact OH-O 3Å; Y766-I771 HydrophobicContact CD2-CG1 3.95Å
767	R	75.5	Confident	85.5	Confident	161 Å²	161	65.8 Å²	65.8	61%	0.608	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.9	131.5	-176.4	-62.5	-175.2	-178	-172.4	1.1	110.8	S765 G769 R770	S765-R767 PolarHBondContact O-N 3.12Å; R767-G769 VanDerWaalsContact C-N 3.25Å; R767-G769 PolarHBondContact O-N 2.91Å; R767-R770 CarbonylContact C-O 3.51Å; R767-R770 PolarHBondContact N-O 3.46Å; R767-R770 PolarHBondContact O-N 3.47Å
768	N	67.1	Low	85.4	Confident	172 Å²	172	64 Å²	64	92%	0.92	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	40.2	175.8	-58	-5.8	0	0	0	113.9	R770	N768-R770 VanDerWaalsContact C-N 3.26Å; N768-R770 PolarHBondContact O-N 2.87Å
769	G	69.8	Low	85.5	Confident	55 Å²	55	64 Å²	64	57%	0.567	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	-9.3	179	0	0	0	0	0	115.7	Y766 R767	Y766-G769 WeakPolarHBondContact OH-CA 3.47Å; Y766-G769 PolarHBondContact OH-O 3Å; R767-G769 VanDerWaalsContact C-N 3.25Å; R767-G769 PolarHBondContact O-N 2.91Å
770	R	78.9	Confident	85.9	Confident	131 Å²	131	63.7 Å²	63.7	49%	0.494	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	163.6	176	68.1	-180	-171.4	157.7	7.3	111.9	D587 R767 N768	D587-R770 IonicContact OD2-CZ 3.73Å; D587-R770 VanDerWaalsContact OD2-CZ 3.25Å; D587-R770 IonicContact OD2-NH1 3.15Å; D587-R770 PolarHBondContact OD2-NH1 3.3Å; D587-R770 IonicContact OD2-NH2 2.79Å; D587-R770 PolarHBondContact OD2-NH2 2.88Å; R767-R770 CarbonylContact C-O 3.51Å; R767-R770 PolarHBondContact N-O 3.46Å; R767-R770 PolarHBondContact O-N 3.47Å; N768-R770 VanDerWaalsContact C-N 3.26Å; N768-R770 PolarHBondContact O-N 2.87Å
771	I	83.3	Confident	86.2	Confident	19 Å²	19	62.4 Å²	62.4	10%	0.097	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	133.2	166.9	-68.1	171.5	0	0	0	107.6	Q562 I762 S765 Y766	Q562-I771 HydrophobicContact CB-CD1 3.39Å; Q562-I771 HydrophobicContact CG-CD1 3.61Å; I762-I771 HydrophobicContact CB-CD1 4.43Å; I762-I771 HydrophobicContact CG1-CD1 4.33Å; I762-I771 HydrophobicContact CG2-CD1 3.68Å; S765-I771 WeakPolarHBondContact O-CA 3.32Å; Y766-I771 HydrophobicContact CD2-CG1 3.95Å
772	F	87.3	Confident	86.5	Confident	56 Å²	56	61 Å²	61	25%	0.246	30%	0.304	C	S	.	.			trans	-143.8	90.9	176.1	-168.9	-96.8	0	0	0	110.3	C590 S765 N774	C590-F772 HydrophobicContact CB-CD2 3.67Å; C590-F772 HydrophobicContact CB-CE2 3.72Å; C590-F772 HydrophobicContact CB-CG 4.32Å; C590-F772 HydrophobicContact CB-CZ 4.4Å; S765-F772 PolarHBondContact O-N 3.04Å; F772-N774 HydrophobicContact CD1-CB 4.32Å; F772-N774 HydrophobicContact CE1-CB 3.68Å; F772-N774 HydrophobicContact CZ-CB 4.02Å
773	A	86.9	Confident	86.5	Confident	2 Å²	2	61 Å²	61	2%	0.017	30%	0.304	C	S	.	.			trans	-105.2	94.1	-179.9	0	0	0	0	0	109.3	R583 C590 P592 S765 S778	R583-A773 PolarHBondContact NE-O 2.82Å; R583-A773 PolarHBondContact NH1-O 2.75Å; R583-A773 PolarHBondContact NH2-O 3.31Å; C590-A773 CarbonylContact C-O 3.5Å; C590-A773 WeakPolarHBondContact CA-O 3.14Å; C590-A773 PolarHBondContact O-N 3.38Å; P592-A773 HydrophobicContact CB-CB 4.45Å; S765-A773 WeakPolarHBondContact OG-CB 3.44Å; A773-S778 PolarHBondContact O-OG 3.41Å
774	N	85.9	Confident	86.6	Confident	88 Å²	88	55.5 Å²	55.5	47%	0.471	28%	0.281	S	S	.	.			trans	-115.8	20.4	-179.3	-163.5	20.4	0	0	0	113.1	F772	F772-N774 HydrophobicContact CD1-CB 4.32Å; F772-N774 HydrophobicContact CE1-CB 3.68Å; F772-N774 HydrophobicContact CZ-CB 4.02Å
775	T	89.4	Confident	86.4	Confident	69 Å²	69	53.7 Å²	53.7	42%	0.423	27%	0.269	S	S	.	.	S	Bend	trans	-99.5	152.7	178.2	54.2	0	0	0	0	111.1	D777 S778	T775-D777 VanDerWaalsContact C-N 3.27Å; T775-D777 WeakPolarHBondContact CB-OD1 3.3Å; T775-D777 PolarHBondContact O-N 3.24Å; T775-D777 PolarHBondContact OG1-OD1 2.9Å; T775-S778 PolarHBondContact O-N 3.15Å; T775-S778 VanDerWaalsContact O-N 3.14Å; T775-S778 PolarHBondContact O-OG 3.12Å
776	P	88.4	Confident	86	Confident	70 Å²	70	59.5 Å²	59.5	46%	0.455	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-56.7	-37.7	179.7	-27.3	36.2	0	0	0	114	S778 G779 P793	P776-S778 PolarHBondContact O-N 2.91Å; P776-S778 VanDerWaalsContact O-N 3.12Å; P776-G779 PolarHBondContact O-N 2.88Å; P776-P793 HydrophobicContact CB-CB 4.24Å
777	D	91.1	Very high	85.5	Confident	63 Å²	63	59.1 Å²	59.1	34%	0.337	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-71.6	1	179.9	74.5	-52	0	0	0	114.9	W757 K761 T775 C780	W757-D777 WeakPolarHBondContact CZ2-O 3.49Å; K761-D777 WeakPolarHBondContact CE-OD2 3.41Å; K761-D777 IonicContact NZ-OD2 2.89Å; K761-D777 PolarHBondContact NZ-OD2 3.5Å; T775-D777 VanDerWaalsContact C-N 3.27Å; T775-D777 WeakPolarHBondContact CB-OD1 3.3Å; T775-D777 PolarHBondContact O-N 3.24Å; T775-D777 PolarHBondContact OG1-OD1 2.9Å; D777-C780 PolarHBondContact O-SG 2.94Å
778	S	92.3	Very high	85.8	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-96.4	-5.5	172.9	67.8	0	0	0	0	114.1	R583 P592 F593 A773 T775 P776	R583-S778 PolarHBondContact NH1-OG 2.94Å; R583-S778 PolarHBondContact NH2-OG 3.04Å; P592-S778 CarbonylContact C-O 3.57Å; P592-S778 VanDerWaalsContact CA-O 3.28Å; P592-S778 WeakPolarHBondContact CA-O 3.33Å; F593-S778 PolarHBondContact N-O 3.4Å; A773-S778 PolarHBondContact O-OG 3.41Å; T775-S778 PolarHBondContact O-N 3.15Å; T775-S778 VanDerWaalsContact O-N 3.14Å; T775-S778 PolarHBondContact O-OG 3.12Å; P776-S778 PolarHBondContact O-N 2.91Å; P776-S778 VanDerWaalsContact O-N 3.12Å
779	G	95.1	Very high	86.8	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	94.5	175.7	0	0	0	0	0	110.1	F593 P776 P793 V794	F593-G779 VanDerWaalsContact CZ-CA 3.49Å; F593-G779 WeakPolarHBondContact O-CA 3.44Å; P776-G779 PolarHBondContact O-N 2.88Å; G779-P793 WeakPolarHBondContact O-CA 3.43Å; G779-V794 PolarHBondContact O-N 3.45Å
780	C	96.7	Very high	87.8	Confident	4 Å²	4	48 Å²	48	3%	0.027	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	150.1	-166.9	-68.6	0	0	0	0	113.9	F593 V594 V595 W757 D777 F791 Q792	F593-C780 PolarHBondContact O-N 2.98Å; F593-C780 VanDerWaalsContact O-N 3.16Å; V594-C780 CarbonylContact C-O 3.56Å; V594-C780 VanDerWaalsContact CA-O 3.29Å; V594-C780 WeakPolarHBondContact CA-O 3.02Å; V595-C780 PolarHBondContact N-O 3.32Å; W757-C780 HydrophobicContact CH2-CB 4.2Å; W757-C780 HydrophobicContact CZ2-CB 4Å; D777-C780 PolarHBondContact O-SG 2.94Å; C780-F791 HydrophobicContact CB-CB 4.06Å; C780-F791 HydrophobicContact CB-CD1 4.4Å; C780-Q792 CarbonylContact C-O 3.55Å; C780-Q792 VanDerWaalsContact CA-O 3.23Å; C780-Q792 WeakPolarHBondContact CA-O 3.14Å
781	V	96.9	Very high	88.6	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	125.9	156.4	178.6	0	0	0	0	108.3	Y573 V595 P597 G783 F791 Q792 V794 L797	Y573-V781 HydrophobicContact CD2-CG2 3.77Å; Y573-V781 HydrophobicContact CE2-CG2 4.3Å; V595-V781 HydrophobicContact CB-CG2 4.25Å; V595-V781 WeakPolarHBondContact O-CA 3.4Å; P597-V781 HydrophobicContact CG-CG1 3.64Å; V781-G783 PolarHBondContact O-N 3.12Å; V781-F791 WeakPolarHBondContact O-CA 3.2Å; V781-Q792 PolarHBondContact N-O 2.85Å; V781-Q792 PolarHBondContact O-N 3.15Å; V781-V794 HydrophobicContact CG2-CG1 4.1Å; V781-L797 HydrophobicContact CB-CD1 3.73Å; V781-L797 HydrophobicContact CG2-CD1 3.53Å
782	L	96.6	Very high	89.2	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	103	163.5	174.6	56.5	0	0	0	107.7	V594 V595 P597 M750 K753 A754 L789 F791	V594-L782 HydrophobicContact CG2-CB 3.73Å; V595-L782 PolarHBondContact O-N 3.24Å; P597-L782 WeakPolarHBondContact CD-O 3.24Å; M750-L782 HydrophobicContact CB-CD2 4.49Å; M750-L782 HydrophobicContact CE-CG 4.18Å; M750-L782 WeakPolarHBondContact CE-O 3.43Å; M750-L782 VanDerWaalsContact O-CD2 3.32Å; M750-L782 WeakPolarHBondContact O-CD2 3.48Å; M750-L782 HydrophobicContact SD-CD2 4.11Å; M750-L782 HydrophobicContact SD-CG 3.91Å; K753-L782 HydrophobicContact CB-CD2 4.17Å; K753-L782 HydrophobicContact CD-CD1 4.3Å; K753-L782 HydrophobicContact CG-CD1 4.38Å; K753-L782 HydrophobicContact CG-CD2 4.29Å; A754-L782 HydrophobicContact CB-CD2 3.96Å; L782-L789 HydrophobicContact CD1-CB 4.13Å; L782-F791 HydrophobicContact CB-CD1 4.05Å; L782-F791 HydrophobicContact CB-CE1 3.89Å; L782-F791 HydrophobicContact CD1-CD1 4.09Å; L782-F791 HydrophobicContact CD1-CD2 4.37Å; L782-F791 HydrophobicContact CD1-CE1 3.78Å; L782-F791 HydrophobicContact CD1-CE2 4.08Å; L782-F791 HydrophobicContact CD1-CG 4.37Å; L782-F791 HydrophobicContact CD1-CZ 3.76Å; L782-F791 HydrophobicContact CD2-CE1 4.05Å; L782-F791 HydrophobicContact CD2-CZ 4.17Å; L782-F791 HydrophobicContact CG-CE1 4.11Å; L782-F791 HydrophobicContact CG-CZ 4.41Å
783	G	91.4	Very high	89.6	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	155.7	-177.5	0	0	0	0	0	112.6	S607 V781 L789 L790	S607-G783 WeakPolarHBondContact OG-CA 3.37Å; V781-G783 PolarHBondContact O-N 3.12Å; G783-L789 CarbonylContact O-C 3.54Å; G783-L789 WeakPolarHBondContact O-CA 3.5Å; G783-L790 PolarHBondContact N-O 3.06Å; G783-L790 PolarHBondContact O-N 2.77Å
784	M	88.1	Confident	90	Very high	30 Å²	30	42.3 Å²	42.3	15%	0.148	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	121.9	169	-176.8	171.2	143.5	0	0	109.1	S607 D608 F609 F746 A788 L789	S607-M784 CarbonylContact C-O 3.54Å; S607-M784 WeakPolarHBondContact CA-O 3.25Å; S607-M784 PolarHBondContact OG-N 3.04Å; D608-M784 WeakPolarHBondContact CB-O 3.31Å; D608-M784 PolarHBondContact N-O 3.01Å; F609-M784 HydrophobicContact CD2-CE 3.69Å; F609-M784 HydrophobicContact CD2-SD 3.95Å; F609-M784 HydrophobicContact CE2-CE 3.69Å; F746-M784 HydrophobicContact CE2-CB 4.18Å; F746-M784 HydrophobicContact CE2-SD 3.9Å; F746-M784 HydrophobicContact CZ-CB 4.12Å; M784-A788 WeakPolarHBondContact CA-O 3.47Å; M784-L789 HydrophobicContact CB-CD2 3.73Å; M784-L789 HydrophobicContact CG-CD2 4.21Å
785	R	84.1	Confident	90.3	Very high	76 Å²	76	40.5 Å²	40.5	29%	0.287	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.1	165.8	-73.5	-151.1	-164.9	-138	7	110.3	D608 R787 A788 L790 Q792	D608-R785 WeakPolarHBondContact OD2-CA 3.49Å; R785-R787 VanDerWaalsContact C-N 3.33Å; R785-R787 PolarHBondContact O-N 3.31Å; R785-A788 PolarHBondContact N-O 2.92Å; R785-A788 PolarHBondContact O-N 3.07Å; R785-L790 HydrophobicContact CB-CD1 4.29Å; R785-Q792 VanDerWaalsContact CZ-OE1 3.31Å
786	K	78	Confident	90.5	Very high	133 Å²	133	43 Å²	43	58%	0.578	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	-86.9	-175.4	-60.5	-176.6	178.2	-175.5	0	112.3	G411 N412 D608	G411-K786 CarbonylContact C-O 3.58Å; G411-K786 WeakPolarHBondContact CA-O 3.19Å; N412-K786 PolarHBondContact N-O 2.68Å; N412-K786 VanDerWaalsContact N-O 3.13Å; D608-K786 PolarHBondContact OD2-N 2.89Å
787	R	73.5	Confident	90.7	Very high	112 Å²	112	39.8 Å²	39.8	42%	0.423	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-10.6	-176.8	-158	177.7	-169.7	-149.7	3.1	113.5	D244 R785	D244-R787 IonicContact OD1-CZ 3.49Å; D244-R787 IonicContact OD1-NE 2.73Å; D244-R787 PolarHBondContact OD1-NE 2.96Å; D244-R787 IonicContact OD1-NH2 2.7Å; D244-R787 PolarHBondContact OD1-NH2 3.43Å; D244-R787 IonicContact OD2-CZ 3.19Å; D244-R787 IonicContact OD2-NE 3.51Å; D244-R787 PolarHBondContact OD2-NE 3.01Å; D244-R787 IonicContact OD2-NH2 2.66Å; R785-R787 VanDerWaalsContact C-N 3.33Å; R785-R787 PolarHBondContact O-N 3.31Å
788	A	80.9	Confident	90.8	Very high	44 Å²	44	41.9 Å²	41.9	36%	0.364	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	140	-173.5	0	0	0	0	0	111.9	M784 R785 L790	M784-A788 WeakPolarHBondContact CA-O 3.47Å; R785-A788 PolarHBondContact N-O 2.92Å; R785-A788 PolarHBondContact O-N 3.07Å; A788-L790 HydrophobicContact CB-CD2 3.84Å; A788-L790 HydrophobicContact CB-CG 3.99Å
789	L	87.9	Confident	90.7	Very high	33 Å²	33	44.4 Å²	44.4	17%	0.173	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	112.2	162.6	-67.1	-177.7	0	0	0	108.2	F746 M750 K753 L782 G783 M784	F746-L789 HydrophobicContact CE2-CD2 4.04Å; M750-L789 HydrophobicContact SD-CD1 4.09Å; M750-L789 HydrophobicContact SD-CD2 3.61Å; M750-L789 HydrophobicContact SD-CG 4.45Å; K753-L789 HydrophobicContact CD-CB 3.8Å; K753-L789 HydrophobicContact CD-CD1 4.01Å; K753-L789 WeakPolarHBondContact CE-O 3.33Å; K753-L789 PolarHBondContact NZ-O 2.77Å; L782-L789 HydrophobicContact CD1-CB 4.13Å; G783-L789 CarbonylContact O-C 3.54Å; G783-L789 WeakPolarHBondContact O-CA 3.5Å; M784-L789 HydrophobicContact CB-CD2 3.73Å; M784-L789 HydrophobicContact CG-CD2 4.21Å
790	L	92.1	Very high	90.5	Very high	79 Å²	79	48.2 Å²	48.2	41%	0.414	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	144	-174.7	-60.7	178.3	0	0	0	110.9	G783 R785 A788	G783-L790 PolarHBondContact N-O 3.06Å; G783-L790 PolarHBondContact O-N 2.77Å; R785-L790 HydrophobicContact CB-CD1 4.29Å; A788-L790 HydrophobicContact CB-CD2 3.84Å; A788-L790 HydrophobicContact CB-CG 3.99Å
791	F	94.9	Very high	90.4	Very high	52 Å²	52	48.3 Å²	48.3	23%	0.228	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	116.2	167.4	-63	-87.7	0	0	0	107.8	V594 K753 W757 C780 V781 L782	V594-F791 HydrophobicContact CG2-CD1 4.13Å; V594-F791 HydrophobicContact CG2-CE1 3.97Å; K753-F791 HydrophobicContact CD-CE2 4.38Å; K753-F791 HydrophobicContact CG-CE2 4.04Å; K753-F791 HydrophobicContact CG-CZ 3.82Å; W757-F791 HydrophobicContact CB-CD1 4.44Å; W757-F791 HydrophobicContact CB-CE1 3.6Å; W757-F791 HydrophobicContact CB-CE2 3.71Å; W757-F791 HydrophobicContact CB-CZ 3.18Å; W757-F791 AromaticContact CD1-CD1 3.88Å; W757-F791 AromaticContact CD1-CD2 3.56Å; W757-F791 AromaticContact CD1-CE1 3.89Å; W757-F791 AromaticContact CD1-CE2 3.57Å; W757-F791 AromaticContact CD1-CG 3.72Å; W757-F791 AromaticContact CD1-CZ 3.75Å; W757-F791 AromaticContact CD2-CD1 3.77Å; W757-F791 HydrophobicContact CD2-CD1 3.77Å; W757-F791 AromaticContact CD2-CE1 3.65Å; W757-F791 HydrophobicContact CD2-CE1 3.65Å; W757-F791 HydrophobicContact CD2-CG 4.34Å; W757-F791 HydrophobicContact CD2-CZ 4.15Å; W757-F791 AromaticContact CE2-CD1 3.8Å; W757-F791 HydrophobicContact CE3-CD1 4.38Å; W757-F791 HydrophobicContact CE3-CE1 4.13Å; W757-F791 AromaticContact CG-CD1 3.81Å; W757-F791 HydrophobicContact CG-CD1 3.81Å; W757-F791 HydrophobicContact CG-CD2 4.08Å; W757-F791 AromaticContact CG-CE1 3.43Å; W757-F791 HydrophobicContact CG-CE1 3.43Å; W757-F791 VanDerWaalsContact CG-CE1 3.43Å; W757-F791 AromaticContact CG-CE2 3.73Å; W757-F791 HydrophobicContact CG-CE2 3.73Å; W757-F791 HydrophobicContact CG-CG 4.11Å; W757-F791 AromaticContact CG-CZ 3.41Å; W757-F791 HydrophobicContact CG-CZ 3.41Å; W757-F791 VanDerWaalsContact CG-CZ 3.41Å; W757-F791 HydrophobicContact CZ2-CD1 4.4Å; W757-F791 AromaticContact NE1-CD1 3.86Å; W757-F791 AromaticContact NE1-CD2 3.94Å; W757-F791 AromaticContact NE1-CG 3.68Å; C780-F791 HydrophobicContact CB-CB 4.06Å; C780-F791 HydrophobicContact CB-CD1 4.4Å; V781-F791 WeakPolarHBondContact O-CA 3.2Å; L782-F791 HydrophobicContact CB-CD1 4.05Å; L782-F791 HydrophobicContact CB-CE1 3.89Å; L782-F791 HydrophobicContact CD1-CD1 4.09Å; L782-F791 HydrophobicContact CD1-CD2 4.37Å; L782-F791 HydrophobicContact CD1-CE1 3.78Å; L782-F791 HydrophobicContact CD1-CE2 4.08Å; L782-F791 HydrophobicContact CD1-CG 4.37Å; L782-F791 HydrophobicContact CD1-CZ 3.76Å; L782-F791 HydrophobicContact CD2-CE1 4.05Å; L782-F791 HydrophobicContact CD2-CZ 4.17Å; L782-F791 HydrophobicContact CG-CE1 4.11Å; L782-F791 HydrophobicContact CG-CZ 4.41Å
792	Q	94.9	Very high	90.2	Very high	22 Å²	22	50.4 Å²	50.4	10%	0.103	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	127.2	177.9	-73.7	151.3	99.8	0	0	108.7	G606 C780 V781 R785 V794 L797	G606-Q792 PolarHBondContact O-NE2 3.34Å; C780-Q792 CarbonylContact C-O 3.55Å; C780-Q792 VanDerWaalsContact CA-O 3.23Å; C780-Q792 WeakPolarHBondContact CA-O 3.14Å; V781-Q792 PolarHBondContact N-O 2.85Å; V781-Q792 PolarHBondContact O-N 3.15Å; R785-Q792 VanDerWaalsContact CZ-OE1 3.31Å; Q792-V794 PolarHBondContact O-N 3.18Å; Q792-L797 HydrophobicContact CB-CD1 4.07Å; Q792-L797 HydrophobicContact CB-CD2 4.23Å; Q792-L797 HydrophobicContact CB-CG 4.17Å
793	P	96.1	Very high	90.1	Very high	13 Å²	13	54.3 Å²	54.3	8%	0.084	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.8	133.6	174.3	-29.7	37.6	0	0	0	112.1	P776 G779 T795 E796 L797	P776-P793 HydrophobicContact CB-CB 4.24Å; G779-P793 WeakPolarHBondContact O-CA 3.43Å; P793-T795 PolarHBondContact O-N 2.78Å; P793-T795 VanDerWaalsContact O-N 3.16Å; P793-E796 HydrophobicContact CB-CB 4.37Å; P793-E796 HydrophobicContact CB-CG 4.03Å; P793-E796 WeakPolarHBondContact CD-OE2 3.49Å; P793-E796 HydrophobicContact CG-CG 4.29Å; P793-E796 WeakPolarHBondContact CG-OE1 3.48Å; P793-E796 PolarHBondContact O-N 3.42Å; P793-E796 VanDerWaalsContact O-N 3.1Å; P793-L797 PolarHBondContact O-N 3.08Å
794	V	94.9	Very high	90.2	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-58.2	-33.3	179.8	-65.5	0	0	0	0	111.6	Y573 L577 M580 F593 G779 V781 Q792 L797 Q798	Y573-V794 HydrophobicContact CD2-CB 4.48Å; Y573-V794 HydrophobicContact CD2-CG1 4.31Å; Y573-V794 HydrophobicContact CE2-CB 4.19Å; Y573-V794 HydrophobicContact CE2-CG1 4.46Å; L577-V794 HydrophobicContact CD2-CB 4.1Å; L577-V794 HydrophobicContact CD2-CG2 4.03Å; L577-V794 WeakPolarHBondContact CD2-O 3.3Å; L577-V794 HydrophobicContact CG-CB 4.25Å; L577-V794 HydrophobicContact CG-CG2 4.39Å; M580-V794 HydrophobicContact CG-CG2 3.5Å; F593-V794 HydrophobicContact CE2-CG1 4.05Å; F593-V794 HydrophobicContact CZ-CG1 4.39Å; F593-V794 HydrophobicContact CZ-CG2 4.06Å; G779-V794 PolarHBondContact O-N 3.45Å; V781-V794 HydrophobicContact CG2-CG1 4.1Å; Q792-V794 PolarHBondContact O-N 3.18Å; V794-L797 PolarHBondContact O-N 3.32Å; V794-Q798 PolarHBondContact O-N 3.01Å
795	T	93.6	Very high	90.4	Very high	50 Å²	50	62.1 Å²	62.1	31%	0.307	31%	0.31	S	S	.	.	H	α-helix	trans	-68.6	-31.7	179.5	50.8	0	0	0	0	113.4	M580 P793 Q798	M580-T795 HydrophobicContact CB-CG2 4.46Å; M580-T795 HydrophobicContact CE-CG2 4.25Å; M580-T795 HydrophobicContact CG-CG2 4.42Å; P793-T795 PolarHBondContact O-N 2.78Å; P793-T795 VanDerWaalsContact O-N 3.16Å; T795-Q798 VanDerWaalsContact O-CB 3.3Å; T795-Q798 WeakPolarHBondContact O-CB 3.3Å; T795-Q798 PolarHBondContact O-N 3.03Å
796	E	93.3	Very high	90.9	Very high	123 Å²	123	62.5 Å²	62.5	58%	0.575	31%	0.311	S	S	*	.	H	α-helix	trans	-73.1	-37.2	176.5	-71.6	174.9	-166.6	0	0	111.3	P793 Q798 G799	P793-E796 HydrophobicContact CB-CB 4.37Å; P793-E796 HydrophobicContact CB-CG 4.03Å; P793-E796 WeakPolarHBondContact CD-OE2 3.49Å; P793-E796 HydrophobicContact CG-CG 4.29Å; P793-E796 WeakPolarHBondContact CG-OE1 3.48Å; P793-E796 PolarHBondContact O-N 3.42Å; P793-E796 VanDerWaalsContact O-N 3.1Å; E796-Q798 PolarHBondContact O-N 3.46Å; E796-G799 PolarHBondContact O-N 3.21Å
797	L	93.1	Very high	91.7	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-67	-18.4	177.5	-64.6	175.3	0	0	0	112.9	Y573 P605 V781 Q792 P793 V794 G799 Q800 T801	Y573-L797 HydrophobicContact CE2-CB 3.9Å; Y573-L797 HydrophobicContact CE2-CD1 4.26Å; Y573-L797 WeakPolarHBondContact OH-CB 3.42Å; Y573-L797 PolarHBondContact OH-O 3.2Å; P605-L797 HydrophobicContact CB-CB 4.27Å; V781-L797 HydrophobicContact CB-CD1 3.73Å; V781-L797 HydrophobicContact CG2-CD1 3.53Å; Q792-L797 HydrophobicContact CB-CD1 4.07Å; Q792-L797 HydrophobicContact CB-CD2 4.23Å; Q792-L797 HydrophobicContact CB-CG 4.17Å; P793-L797 PolarHBondContact O-N 3.08Å; V794-L797 PolarHBondContact O-N 3.32Å; L797-G799 VanDerWaalsContact C-N 3.27Å; L797-G799 PolarHBondContact O-N 3.3Å; L797-Q800 CarbonylContact O-C 3.3Å; L797-Q800 WeakPolarHBondContact O-CA 3.07Å; L797-Q800 PolarHBondContact O-N 2.89Å; L797-T801 PolarHBondContact O-N 3.2Å; L797-T801 PolarHBondContact O-OG1 2.84Å
798	Q	91.9	Very high	92.6	Very high	107 Å²	107	52.1 Å²	52.1	50%	0.5	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-55.2	-41.9	177.3	-170.5	175.9	11.6	0	0	111.9	Y573 V794 T795 E796 Q800 T801 F803	Y573-Q798 PolarHBondContact OH-N 2.94Å; V794-Q798 PolarHBondContact O-N 3.01Å; T795-Q798 VanDerWaalsContact O-CB 3.3Å; T795-Q798 WeakPolarHBondContact O-CB 3.3Å; T795-Q798 PolarHBondContact O-N 3.03Å; E796-Q798 PolarHBondContact O-N 3.46Å; Q798-Q800 VanDerWaalsContact C-N 3.25Å; Q798-Q800 PolarHBondContact O-N 2.95Å; Q798-T801 PolarHBondContact O-N 2.73Å; Q798-F803 HydrophobicContact CG-CE2 3.74Å; Q798-F803 HydrophobicContact CG-CZ 3.85Å
799	G	90.6	Very high	93	Very high	53 Å²	53	56.5 Å²	56.5	55%	0.546	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-65.3	-27.4	177.4	0	0	0	0	0	113.9	E796 L797 K809	E796-G799 PolarHBondContact O-N 3.21Å; L797-G799 VanDerWaalsContact C-N 3.27Å; L797-G799 PolarHBondContact O-N 3.3Å; G799-K809 WeakPolarHBondContact O-CE 3.39Å; G799-K809 PolarHBondContact O-NZ 2.88Å
800	Q	90.4	Very high	92.9	Very high	80 Å²	80	62.4 Å²	62.4	37%	0.374	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-93.7	5.1	-179.3	-58.8	175.7	28.4	0	0	112.9	L797 Q798 K809	L797-Q800 CarbonylContact O-C 3.3Å; L797-Q800 WeakPolarHBondContact O-CA 3.07Å; L797-Q800 PolarHBondContact O-N 2.89Å; Q798-Q800 VanDerWaalsContact C-N 3.25Å; Q798-Q800 PolarHBondContact O-N 2.95Å; Q800-K809 PolarHBondContact O-N 3.24Å
801	T	94.6	Very high	92.7	Very high	6 Å²	6	59.7 Å²	59.7	4%	0.037	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	136.3	-176.2	-55.2	0	0	0	0	111.4	F570 Y573 P605 L797 Q798 F803 K809	F570-T801 HydrophobicContact CE2-CG2 3.77Å; F570-T801 HydrophobicContact CZ-CG2 3.59Å; Y573-T801 HydrophobicContact CE1-CG2 3.96Å; Y573-T801 PolarHBondContact OH-OG1 3.02Å; P605-T801 HydrophobicContact CG-CG2 4.01Å; P605-T801 WeakPolarHBondContact CG-OG1 3.01Å; L797-T801 PolarHBondContact O-N 3.2Å; L797-T801 PolarHBondContact O-OG1 2.84Å; Q798-T801 PolarHBondContact O-N 2.73Å; T801-F803 HydrophobicContact CG2-CD1 3.97Å; T801-F803 HydrophobicContact CG2-CD2 3.77Å; T801-F803 HydrophobicContact CG2-CE1 3.81Å; T801-F803 HydrophobicContact CG2-CE2 3.61Å; T801-F803 HydrophobicContact CG2-CG 3.94Å; T801-F803 HydrophobicContact CG2-CZ 3.62Å; T801-K809 VanDerWaalsContact O-CE 3.3Å; T801-K809 WeakPolarHBondContact O-CE 3.29Å
802	D	94.5	Very high	92.4	Very high	44 Å²	44	59.9 Å²	59.9	24%	0.235	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	115.6	155.1	-177	-27.9	0	0	0	108.4	E804 H805 R806 I807	D802-E804 WeakPolarHBondContact OD1-CB 3.33Å; D802-E804 PolarHBondContact OD1-N 2.85Å; D802-H805 IonicContact OD1-CG 3.09Å; D802-H805 PolarHBondContact OD1-N 3.4Å; D802-H805 IonicContact OD1-ND1 2.81Å; D802-H805 PolarHBondContact OD1-ND1 2.99Å; D802-H805 IonicContact OD2-CE1 2.67Å; D802-H805 IonicContact OD2-CG 2.74Å; D802-H805 IonicContact OD2-ND1 3.18Å; D802-H805 PolarHBondContact OD2-ND1 2.84Å; D802-R806 CarbonylContact O-C 3.55Å; D802-R806 WeakPolarHBondContact O-CA 3.31Å; D802-R806 PolarHBondContact O-N 3.36Å; D802-I807 HydrophobicContact CB-CG1 3.96Å; D802-I807 PolarHBondContact N-O 3.21Å; D802-I807 PolarHBondContact O-N 2.98Å; D802-I807 VanDerWaalsContact O-N 3.1Å
803	F	93.1	Very high	92.1	Very high	81 Å²	81	59 Å²	59	36%	0.355	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-22.2	-178.9	-72.6	-84.6	0	0	0	113.8	F570 Y573 L577 Q798 T801	F570-F803 HydrophobicContact CE1-CD1 4.2Å; F570-F803 HydrophobicContact CZ-CD1 4.02Å; F570-F803 HydrophobicContact CZ-CE1 4.39Å; Y573-F803 HydrophobicContact CE1-CE1 4.27Å; Y573-F803 HydrophobicContact CE1-CZ 4.38Å; L577-F803 HydrophobicContact CD1-CE1 3.68Å; L577-F803 HydrophobicContact CD1-CZ 3.64Å; Q798-F803 HydrophobicContact CG-CE2 3.74Å; Q798-F803 HydrophobicContact CG-CZ 3.85Å; T801-F803 HydrophobicContact CG2-CD1 3.97Å; T801-F803 HydrophobicContact CG2-CD2 3.77Å; T801-F803 HydrophobicContact CG2-CE1 3.81Å; T801-F803 HydrophobicContact CG2-CE2 3.61Å; T801-F803 HydrophobicContact CG2-CG 3.94Å; T801-F803 HydrophobicContact CG2-CZ 3.62Å
804	E	93.3	Very high	91.9	Very high	158 Å²	158	61 Å²	61	74%	0.738	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-52.5	178.5	-179.5	173.9	-159.5	0	0	109.5	D802	D802-E804 WeakPolarHBondContact OD1-CB 3.33Å; D802-E804 PolarHBondContact OD1-N 2.85Å
805	H	93.1	Very high	91.5	Very high	37 Å²	37	68 Å²	68	17%	0.171	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-10.1	178.7	-54.4	98.7	0	0	0	112.7	Y647 F667 D802 I807	Y647-H805 AromaticContact CD1-CD2 3.86Å; Y647-H805 HydrophobicContact CD2-CB 4.02Å; Y647-H805 VanDerWaalsContact CD2-O 3.24Å; Y647-H805 WeakPolarHBondContact CD2-O 3.37Å; Y647-H805 AromaticContact CE1-CD2 3.89Å; Y647-H805 HydrophobicContact CG-CB 3.95Å; F667-H805 HydrophobicContact CE1-CB 4Å; F667-H805 AromaticContact CE1-CD2 3.71Å; F667-H805 AromaticContact CE1-CG 3.63Å; F667-H805 AromaticContact CE2-CD2 3.99Å; F667-H805 HydrophobicContact CZ-CB 4.44Å; F667-H805 AromaticContact CZ-CD2 3.25Å; F667-H805 WeakPolarHBondContact CZ-CD2 3.43Å; F667-H805 AromaticContact CZ-CE1 3.97Å; F667-H805 AromaticContact CZ-CG 3.63Å; F667-H805 AromaticContact CZ-NE2 3.49Å; F667-H805 WeakPolarHBondContact CZ-NE2 3.44Å; D802-H805 IonicContact OD1-CG 3.09Å; D802-H805 PolarHBondContact OD1-N 3.4Å; D802-H805 IonicContact OD1-ND1 2.81Å; D802-H805 PolarHBondContact OD1-ND1 2.99Å; D802-H805 IonicContact OD2-CE1 2.67Å; D802-H805 IonicContact OD2-CG 2.74Å; D802-H805 IonicContact OD2-ND1 3.18Å; D802-H805 PolarHBondContact OD2-ND1 2.84Å; H805-I807 HydrophobicContact CB-CD1 4.15Å; H805-I807 HydrophobicContact CB-CG1 4.07Å
806	R	94.6	Very high	91.1	Very high	83 Å²	83	66.3 Å²	66.3	31%	0.313	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	49.4	178.2	-58.5	172.4	39.1	161.7	-3.9	113.1	F570 E571 N603 D802	F570-R806 HydrophobicContact CD1-CB 3.87Å; F570-R806 HydrophobicContact CD1-CG 3.89Å; F570-R806 HydrophobicContact CD2-CB 3.99Å; F570-R806 WeakPolarHBondContact CD2-O 3.47Å; F570-R806 HydrophobicContact CE1-CB 3.86Å; F570-R806 HydrophobicContact CE1-CG 3.74Å; F570-R806 VanDerWaalsContact CE2-C 3.48Å; F570-R806 HydrophobicContact CE2-CB 3.99Å; F570-R806 HydrophobicContact CG-CB 3.93Å; F570-R806 HydrophobicContact CG-CG 4.45Å; F570-R806 HydrophobicContact CZ-CB 3.92Å; F570-R806 HydrophobicContact CZ-CG 4.18Å; E571-R806 IonicContact OE1-CZ 2.86Å; E571-R806 IonicContact OE1-NH1 2.65Å; E571-R806 PolarHBondContact OE1-NH1 3.29Å; E571-R806 IonicContact OE1-NH2 2.72Å; E571-R806 PolarHBondContact OE1-NH2 2.88Å; E571-R806 IonicContact OE2-CZ 2.84Å; E571-R806 IonicContact OE2-NH2 3.25Å; E571-R806 PolarHBondContact OE2-NH2 2.92Å; N603-R806 PolarHBondContact ND2-O 3.45Å; D802-R806 CarbonylContact O-C 3.55Å; D802-R806 WeakPolarHBondContact O-CA 3.31Å; D802-R806 PolarHBondContact O-N 3.36Å
807	I	93.9	Very high	90.9	Very high	11 Å²	11	61.3 Å²	61.3	6%	0.056	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	159.1	-179.2	58.6	178.8	0	0	0	111.3	N603 C648 F667 E668 D802 H805	N603-I807 HydrophobicContact CB-CG2 4.37Å; C648-I807 HydrophobicContact CB-CG2 3.91Å; F667-I807 HydrophobicContact CD1-CD1 4.19Å; F667-I807 HydrophobicContact CE1-CD1 4.25Å; E668-I807 HydrophobicContact CG-CD1 4.28Å; D802-I807 HydrophobicContact CB-CG1 3.96Å; D802-I807 PolarHBondContact N-O 3.21Å; D802-I807 PolarHBondContact O-N 2.98Å; D802-I807 VanDerWaalsContact O-N 3.1Å; H805-I807 HydrophobicContact CB-CD1 4.15Å; H805-I807 HydrophobicContact CB-CG1 4.07Å
808	P	92.8	Very high	90.6	Very high	16 Å²	16	63.2 Å²	63.2	10%	0.104	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	143.8	164.9	-11.2	28.6	0	0	0	110	P605 E810	P605-P808 HydrophobicContact CG-CG 4.45Å; P808-E810 VanDerWaalsContact C-N 3.3Å; P808-E810 PolarHBondContact O-N 2.91Å
809	K	89.3	Confident	90.4	Very high	136 Å²	136	59.2 Å²	59.2	59%	0.591	29%	0.288	S	S	*	.	S	Bend	trans	-68.4	-28.5	176.1	-68.6	178.9	-179.5	170.8	0	113.5	G799 Q800 T801	G799-K809 WeakPolarHBondContact O-CE 3.39Å; G799-K809 PolarHBondContact O-NZ 2.88Å; Q800-K809 PolarHBondContact O-N 3.24Å; T801-K809 VanDerWaalsContact O-CE 3.3Å; T801-K809 WeakPolarHBondContact O-CE 3.29Å
810	E	85.8	Confident	90.3	Very high	158 Å²	158	57 Å²	57	74%	0.738	26%	0.263	S	S	*	.			trans	-116.3	130.5	176.6	-69.4	-178.8	-177.4	0	0	110.1	P808	P808-E810 VanDerWaalsContact C-N 3.3Å; P808-E810 PolarHBondContact O-N 2.91Å
811	Q	88.2	Confident	90.1	Very high	21 Å²	21	56 Å²	56	10%	0.098	26%	0.258	C	S	.	.			trans	-135.3	110.4	-175.6	-70.1	164.7	-41.5	0	0	109.7	E668 W813 L814	E668-Q811 PolarHBondContact OE1-NE2 3.04Å; E668-Q811 PolarHBondContact OE1-OE1 2.89Å; Q811-W813 HydrophobicContact CB-CZ2 4.3Å; Q811-W813 HydrophobicContact CG-CZ2 4.35Å; Q811-W813 PolarHBondContact O-N 3.32Å; Q811-L814 HydrophobicContact CB-CD1 4.02Å; Q811-L814 HydrophobicContact CB-CG 4.05Å; Q811-L814 PolarHBondContact O-N 3.26Å; Q811-L814 VanDerWaalsContact O-N 3.14Å
812	W	88.1	Confident	89.8	Confident	56 Å²	56	56 Å²	56	21%	0.212	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-55.8	-29.6	-174.4	66.8	-97.6	0	0	0	114.2	N412 D608 F609 Y650 M654 L814 L816	N412-W812 VanDerWaalsContact ND2-CH2 3.3Å; N412-W812 WeakPolarHBondContact ND2-CH2 3.28Å; N412-W812 WeakPolarHBondContact ND2-CZ2 3.46Å; N412-W812 VanDerWaalsContact ND2-CZ3 3.31Å; N412-W812 WeakPolarHBondContact ND2-CZ3 3.42Å; D608-W812 PolarHBondContact O-NE1 2.99Å; F609-W812 HydrophobicContact CE1-CH2 4.28Å; F609-W812 AromaticContact CE1-CZ2 3.75Å; F609-W812 HydrophobicContact CE1-CZ2 3.75Å; F609-W812 HydrophobicContact CE2-CZ2 4.39Å; F609-W812 HydrophobicContact CZ-CH2 4.04Å; F609-W812 AromaticContact CZ-CZ2 3.66Å; F609-W812 HydrophobicContact CZ-CZ2 3.66Å; Y650-W812 AromaticContact CE2-CZ2 3.89Å; Y650-W812 HydrophobicContact CE2-CZ2 3.89Å; M654-W812 HydrophobicContact CE-CH2 3.8Å; M654-W812 HydrophobicContact CE-CZ3 4.39Å; W812-L814 VanDerWaalsContact C-N 3.34Å; W812-L816 HydrophobicContact CZ3-CD1 3.83Å
813	W	90	Very high	89.4	Confident	3 Å²	3	54 Å²	54	1%	0.011	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-79.6	-14	-174.2	57.8	-95.1	0	0	0	113.3	Y650 T653 M654 I666 E668 Q811 K815 L816	Y650-W813 HydrophobicContact CD2-CB 4.25Å; Y650-W813 AromaticContact CD2-CD1 3.45Å; Y650-W813 VanDerWaalsContact CD2-CD1 3.45Å; Y650-W813 HydrophobicContact CD2-CD2 4.08Å; Y650-W813 AromaticContact CD2-CG 3.67Å; Y650-W813 HydrophobicContact CD2-CG 3.67Å; Y650-W813 AromaticContact CD2-NE1 3.68Å; Y650-W813 HydrophobicContact CE2-CB 4.49Å; Y650-W813 HydrophobicContact CE2-CG 4.33Å; Y650-W813 VanDerWaalsContact N-CZ2 3.28Å; T653-W813 HydrophobicContact CG2-CE3 3.93Å; T653-W813 HydrophobicContact CG2-CZ3 4.17Å; T653-W813 WeakPolarHBondContact OG1-CZ3 3.41Å; M654-W813 HydrophobicContact SD-CB 3.98Å; I666-W813 HydrophobicContact CD1-CH2 4.14Å; I666-W813 HydrophobicContact CD1-CZ3 3.96Å; E668-W813 WeakPolarHBondContact OE1-CH2 3.35Å; E668-W813 VanDerWaalsContact OE1-CZ2 3.29Å; E668-W813 WeakPolarHBondContact OE1-CZ2 3.37Å; Q811-W813 HydrophobicContact CB-CZ2 4.3Å; Q811-W813 HydrophobicContact CG-CZ2 4.35Å; Q811-W813 PolarHBondContact O-N 3.32Å; W813-K815 PolarHBondContact O-N 2.92Å; W813-L816 WeakPolarHBondContact O-CB 3.2Å; W813-L816 PolarHBondContact O-N 2.91Å
814	L	90.2	Very high	89.1	Confident	56 Å²	56	50.4 Å²	50.4	29%	0.293	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-61.4	-32.5	172.4	-71.3	174.6	0	0	0	111.5	I666 E668 Q811 W812 L816 R817	I666-L814 HydrophobicContact CD1-CD2 3.91Å; E668-L814 HydrophobicContact CB-CD1 4.38Å; E668-L814 HydrophobicContact CB-CD2 4Å; Q811-L814 HydrophobicContact CB-CD1 4.02Å; Q811-L814 HydrophobicContact CB-CG 4.05Å; Q811-L814 PolarHBondContact O-N 3.26Å; Q811-L814 VanDerWaalsContact O-N 3.14Å; W812-L814 VanDerWaalsContact C-N 3.34Å; L814-L816 PolarHBondContact O-N 3.32Å; L814-R817 HydrophobicContact CD2-CG 4.3Å; L814-R817 VanDerWaalsContact O-CB 3.27Å; L814-R817 WeakPolarHBondContact O-CB 3.11Å; L814-R817 WeakPolarHBondContact O-CG 3.45Å; L814-R817 PolarHBondContact O-N 3.42Å
815	K	86.5	Confident	88.7	Confident	147 Å²	147	48.1 Å²	48.1	64%	0.639	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-59.3	-16.5	172.1	-68.3	-160.2	167.6	-157.1	0	113.9	W813 D834	W813-K815 PolarHBondContact O-N 2.92Å; K815-D834 IonicContact NZ-OD2 2.88Å; K815-D834 PolarHBondContact NZ-OD2 3.04Å
816	L	86.9	Confident	87.9	Confident	14 Å²	14	47.9 Å²	47.9	7%	0.073	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-90	-6.1	176.6	-53.7	-177.6	0	0	0	113.6	R386 M654 L657 W812 W813 L814 I819 L820	R386-L816 HydrophobicContact CG-CD2 4.37Å; M654-L816 HydrophobicContact CE-CD1 3.95Å; M654-L816 HydrophobicContact SD-CD1 3.94Å; L657-L816 HydrophobicContact CD2-CD1 4.41Å; W812-L816 HydrophobicContact CZ3-CD1 3.83Å; W813-L816 WeakPolarHBondContact O-CB 3.2Å; W813-L816 PolarHBondContact O-N 2.91Å; L814-L816 PolarHBondContact O-N 3.32Å; L816-I819 HydrophobicContact CD2-CD1 3.98Å; L816-I819 WeakPolarHBondContact O-CB 3.38Å; L816-I819 PolarHBondContact O-N 2.85Å; L816-L820 PolarHBondContact O-N 3.23Å
817	R	88.6	Confident	86.5	Confident	19 Å²	19	53 Å²	53	7%	0.072	25%	0.245	C	C	.	.	H	α-helix	trans	-59.2	-42.2	179.3	-65.9	-75.8	-64.1	173.3	6.1	113.2	T653 A664 E669 L814 I819 L820 K821	T653-R817 HydrophobicContact CG2-CG 4.31Å; T653-R817 WeakPolarHBondContact OG1-CD 3.47Å; T653-R817 PolarHBondContact OG1-NH1 2.87Å; T653-R817 VanDerWaalsContact OG1-NH1 3.09Å; A664-R817 VanDerWaalsContact O-CZ 3.29Å; A664-R817 PolarHBondContact O-NH1 3.29Å; A664-R817 PolarHBondContact O-NH2 3.02Å; E669-R817 VanDerWaalsContact CD-NH2 3.28Å; E669-R817 IonicContact OE1-NH2 3.99Å; E669-R817 PolarHBondContact OE1-NH2 3.44Å; E669-R817 IonicContact OE2-CZ 3.85Å; E669-R817 IonicContact OE2-NE 2.65Å; E669-R817 PolarHBondContact OE2-NE 3.15Å; E669-R817 IonicContact OE2-NH2 3.73Å; E669-R817 PolarHBondContact OE2-NH2 3.02Å; L814-R817 HydrophobicContact CD2-CG 4.3Å; L814-R817 VanDerWaalsContact O-CB 3.27Å; L814-R817 WeakPolarHBondContact O-CB 3.11Å; L814-R817 WeakPolarHBondContact O-CG 3.45Å; L814-R817 PolarHBondContact O-N 3.42Å; R817-I819 VanDerWaalsContact C-N 3.33Å; R817-I819 PolarHBondContact O-N 3.16Å; R817-L820 PolarHBondContact O-N 3.15Å; R817-K821 PolarHBondContact O-N 3.31Å
818	P	86.9	Confident	85.1	Confident	41 Å²	41	54.1 Å²	54.1	27%	0.266	25%	0.251	S	S	.	.	H	α-helix	trans	-61.1	-41	175.2	-24.4	36	0	0	0	112.5	L820 K821 I822 I828	P818-L820 VanDerWaalsContact C-N 3.28Å; P818-L820 PolarHBondContact O-N 3.34Å; P818-K821 PolarHBondContact O-N 2.85Å; P818-K821 VanDerWaalsContact O-N 3.14Å; P818-I822 WeakPolarHBondContact O-CB 3.44Å; P818-I822 WeakPolarHBondContact O-CG1 3.49Å; P818-I822 PolarHBondContact O-N 2.91Å; P818-I828 HydrophobicContact CB-CD1 3.82Å
819	I	87.2	Confident	83.3	Confident	23 Å²	23	57.3 Å²	57.3	12%	0.118	27%	0.267	C	S	.	.	H	α-helix	trans	-59	-39.7	178.7	-61.4	174.8	0	0	0	111.1	V389 L657 L816 R817 L823	V389-I819 HydrophobicContact CG1-CD1 4.48Å; V389-I819 HydrophobicContact CG1-CG1 4.47Å; V389-I819 HydrophobicContact CG2-CG2 3.71Å; L657-I819 HydrophobicContact CD1-CG2 4.01Å; L816-I819 HydrophobicContact CD2-CD1 3.98Å; L816-I819 WeakPolarHBondContact O-CB 3.38Å; L816-I819 PolarHBondContact O-N 2.85Å; R817-I819 VanDerWaalsContact C-N 3.33Å; R817-I819 PolarHBondContact O-N 3.16Å; I819-L823 HydrophobicContact CG2-CD1 3.64Å; I819-L823 HydrophobicContact CG2-CG 4.17Å; I819-L823 VanDerWaalsContact O-CB 3.25Å; I819-L823 WeakPolarHBondContact O-CB 3.18Å; I819-L823 WeakPolarHBondContact O-CG 3.46Å; I819-L823 PolarHBondContact O-N 3.31Å
820	L	88.3	Confident	81.7	Confident	6 Å²	6	52.1 Å²	52.1	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-61.1	-50	175.6	-174.1	158.5	0	0	0	111.3	A664 L816 R817 P818 L823 A824	A664-L820 HydrophobicContact CB-CD1 3.94Å; L816-L820 PolarHBondContact O-N 3.23Å; R817-L820 PolarHBondContact O-N 3.15Å; P818-L820 VanDerWaalsContact C-N 3.28Å; P818-L820 PolarHBondContact O-N 3.34Å; L820-L823 PolarHBondContact O-N 2.86Å; L820-A824 WeakPolarHBondContact O-CB 3.46Å; L820-A824 PolarHBondContact O-N 3.4Å; L820-A824 VanDerWaalsContact O-N 3.1Å
821	K	86.8	Confident	80	Confident	61 Å²	61	49.8 Å²	49.8	27%	0.265	24%	0.238	S	C	.	.	H	α-helix	trans	-64.6	-44.7	-179.5	-71.1	-174.1	-174.8	178.5	0	112.2	E669 R817 P818 A824 K825 Y826 I828	E669-K821 VanDerWaalsContact OE1-CE 3.31Å; E669-K821 WeakPolarHBondContact OE1-CE 3.08Å; E669-K821 IonicContact OE1-NZ 3.33Å; E669-K821 PolarHBondContact OE1-NZ 3.1Å; R817-K821 PolarHBondContact O-N 3.31Å; P818-K821 PolarHBondContact O-N 2.85Å; P818-K821 VanDerWaalsContact O-N 3.14Å; K821-A824 PolarHBondContact O-N 3.22Å; K821-A824 VanDerWaalsContact O-N 3.12Å; K821-K825 PolarHBondContact O-N 3.03Å; K821-Y826 PolarHBondContact O-N 3.31Å; K821-I828 HydrophobicContact CB-CD1 3.57Å; K821-I828 HydrophobicContact CB-CG1 3.95Å; K821-I828 HydrophobicContact CB-CG2 4.36Å; K821-I828 HydrophobicContact CD-CD1 4.19Å; K821-I828 HydrophobicContact CD-CG2 3.91Å; K821-I828 HydrophobicContact CG-CD1 4.46Å
822	I	87.1	Confident	78.1	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.026	25%	0.248	C	C	.	.	H	α-helix	trans	-58.6	-53	174.7	-71.7	163.3	0	0	0	110.1	V111 F114 W141 P818 A824 K825 I828 L830	V111-I822 HydrophobicContact CG2-CG2 4.39Å; F114-I822 HydrophobicContact CB-CG2 4.27Å; F114-I822 HydrophobicContact CD1-CG2 3.91Å; F114-I822 HydrophobicContact CD2-CG2 4.05Å; F114-I822 HydrophobicContact CE1-CD1 4.13Å; F114-I822 HydrophobicContact CE1-CG1 4.05Å; F114-I822 HydrophobicContact CE1-CG2 4.26Å; F114-I822 HydrophobicContact CE2-CG1 4.11Å; F114-I822 HydrophobicContact CE2-CG2 4.37Å; F114-I822 HydrophobicContact CG-CG2 3.8Å; F114-I822 HydrophobicContact CZ-CD1 4.28Å; F114-I822 HydrophobicContact CZ-CG1 3.81Å; F114-I822 HydrophobicContact CZ-CG2 4.47Å; W141-I822 VanDerWaalsContact CH2-O 3.28Å; W141-I822 WeakPolarHBondContact CH2-O 3.27Å; P818-I822 WeakPolarHBondContact O-CB 3.44Å; P818-I822 WeakPolarHBondContact O-CG1 3.49Å; P818-I822 PolarHBondContact O-N 2.91Å; I822-A824 PolarHBondContact O-N 3.23Å; I822-K825 PolarHBondContact O-N 2.86Å; I822-I828 HydrophobicContact CD1-CD1 4.35Å; I822-I828 HydrophobicContact CG1-CD1 3.96Å; I822-I828 HydrophobicContact CG1-CG1 3.88Å; I822-L830 HydrophobicContact CD1-CB 3.79Å; I822-L830 HydrophobicContact CD1-CD1 3.49Å; I822-L830 VanDerWaalsContact CD1-CD1 3.49Å; I822-L830 HydrophobicContact CD1-CG 4.17Å
823	L	87.6	Confident	75.6	Confident	3 Å²	3	52 Å²	52	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-65.3	-10.6	179.5	-67.7	176.3	0	0	0	113.6	R106 A107 R110 V111 W141 L657 I819 L820	R106-L823 PolarHBondContact NH2-O 3.09Å; R106-L823 VanDerWaalsContact NH2-O 3.08Å; A107-L823 HydrophobicContact CB-CD2 4.33Å; R110-L823 HydrophobicContact CB-CD2 3.69Å; R110-L823 WeakPolarHBondContact CD-O 3.38Å; R110-L823 PolarHBondContact NH1-O 3.01Å; V111-L823 HydrophobicContact CG2-CD2 3.98Å; W141-L823 WeakPolarHBondContact CZ2-O 3.45Å; L657-L823 HydrophobicContact CD1-CD1 3.85Å; I819-L823 HydrophobicContact CG2-CD1 3.64Å; I819-L823 HydrophobicContact CG2-CG 4.17Å; I819-L823 VanDerWaalsContact O-CB 3.25Å; I819-L823 WeakPolarHBondContact O-CB 3.18Å; I819-L823 WeakPolarHBondContact O-CG 3.46Å; I819-L823 PolarHBondContact O-N 3.31Å; L820-L823 PolarHBondContact O-N 2.86Å
824	A	85.9	Confident	73.3	Confident	5 Å²	5	57.2 Å²	57.2	4%	0.041	29%	0.291	C	S	.	.	H	α-helix	trans	-95.6	-6.8	172.1	0	0	0	0	0	114.3	H682 L820 K821 I822 Y826	H682-A824 PolarHBondContact CE1-O 3.2Å; H682-A824 VanDerWaalsContact CE1-O 3.26Å; H682-A824 PolarHBondContact NE2-O 3.15Å; L820-A824 WeakPolarHBondContact O-CB 3.46Å; L820-A824 PolarHBondContact O-N 3.4Å; L820-A824 VanDerWaalsContact O-N 3.1Å; K821-A824 PolarHBondContact O-N 3.22Å; K821-A824 VanDerWaalsContact O-N 3.12Å; I822-A824 PolarHBondContact O-N 3.23Å; A824-Y826 HydrophobicContact CB-CD2 3.67Å; A824-Y826 HydrophobicContact CB-CE2 3.75Å
825	K	84.8	Confident	71.2	Confident	110 Å²	110	59.6 Å²	59.6	48%	0.478	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	33.9	-176.2	-148.5	-173.6	-178.4	176	0	114.2	W141 H682 K821 I822	W141-K825 HydrophobicContact CD2-CB 4.43Å; W141-K825 HydrophobicContact CD2-CD 4.1Å; W141-K825 HydrophobicContact CD2-CG 4.2Å; W141-K825 HydrophobicContact CE3-CG 4.48Å; W141-K825 HydrophobicContact CG-CD 4.19Å; W141-K825 HydrophobicContact CH2-CB 4.01Å; W141-K825 HydrophobicContact CH2-CG 4.3Å; W141-K825 HydrophobicContact CZ2-CB 3.44Å; W141-K825 VanDerWaalsContact CZ2-CB 3.44Å; W141-K825 HydrophobicContact CZ2-CG 4.01Å; W141-K825 HydrophobicContact CZ3-CG 4.5Å; H682-K825 PolarHBondContact CE1-O 2.72Å; K821-K825 PolarHBondContact O-N 3.03Å; I822-K825 PolarHBondContact O-N 2.86Å
826	Y	77.6	Confident	69.5	Low	31 Å²	31	53.8 Å²	53.8	12%	0.122	28%	0.279	C	S	.	.			trans	-83.4	143.2	168.3	-73.9	-105.5	0	0	0	110.2	D662 N679 H682 K821 A824 I828	D662-Y826 WeakPolarHBondContact O-CE2 3.47Å; N679-Y826 WeakPolarHBondContact OD1-CE1 3.34Å; N679-Y826 PolarHBondContact OD1-OH 2.65Å; H682-Y826 HydrophobicContact CB-CE1 4.14Å; H682-Y826 AromaticContact CD2-CE2 3.65Å; H682-Y826 AromaticContact CD2-CZ 3.62Å; H682-Y826 AromaticContact CE1-CD2 3.9Å; H682-Y826 AromaticContact CE1-CE2 3.74Å; H682-Y826 AromaticContact CG-CE2 3.91Å; H682-Y826 AromaticContact CG-CZ 3.65Å; H682-Y826 AromaticContact ND1-CE2 3.96Å; H682-Y826 AromaticContact NE2-CE2 3.59Å; K821-Y826 PolarHBondContact O-N 3.31Å; A824-Y826 HydrophobicContact CB-CD2 3.67Å; A824-Y826 HydrophobicContact CB-CE2 3.75Å; Y826-I828 PolarHBondContact O-N 3.45Å; Y826-I828 VanDerWaalsContact O-N 3.12Å
827	E	63.2	Low	68	Low	190 Å²	190	60.3 Å²	60.3	89%	0.888	31%	0.309	S	S	*	.			trans	-76.9	95.7	169.6	-67.8	178.5	-165.4	0	0	108.5
828	I	66.2	Low	66.4	Low	35 Å²	35	62.2 Å²	62.2	18%	0.179	32%	0.32	C	S	.	.			trans	-136.7	172.3	171.6	62.8	146.6	0	0	0	109.2	K81 F114 P818 K821 I822 Y826	K81-I828 WeakPolarHBondContact CE-O 3.49Å; K81-I828 PolarHBondContact NZ-O 3.02Å; F114-I828 WeakPolarHBondContact CZ-O 3.32Å; P818-I828 HydrophobicContact CB-CD1 3.82Å; K821-I828 HydrophobicContact CB-CD1 3.57Å; K821-I828 HydrophobicContact CB-CG1 3.95Å; K821-I828 HydrophobicContact CB-CG2 4.36Å; K821-I828 HydrophobicContact CD-CD1 4.19Å; K821-I828 HydrophobicContact CD-CG2 3.91Å; K821-I828 HydrophobicContact CG-CD1 4.46Å; I822-I828 HydrophobicContact CD1-CD1 4.35Å; I822-I828 HydrophobicContact CG1-CD1 3.96Å; I822-I828 HydrophobicContact CG1-CG1 3.88Å; Y826-I828 PolarHBondContact O-N 3.45Å; Y826-I828 VanDerWaalsContact O-N 3.12Å
829	D	55.3	Low	65.3	Low	84 Å²	84	64 Å²	64	45%	0.449	33%	0.325	S	S	.	.			trans	-96.6	144	176.4	-53.5	-54.3	0	0	0	110.7	K81	K81-D829 IonicContact NZ-OD1 3.59Å; K81-D829 PolarHBondContact NZ-OD1 3.5Å
830	L	54.8	Low	64.3	Low	27 Å²	27	66.4 Å²	66.4	14%	0.141	34%	0.336	C	S	.	.			trans	-96.5	119.7	168.9	-175.5	75.4	0	0	0	107	A80 M393 I822 T832	A80-L830 HydrophobicContact CB-CB 4.31Å; M393-L830 HydrophobicContact CE-CD2 3.32Å; M393-L830 HydrophobicContact SD-CD2 3.76Å; I822-L830 HydrophobicContact CD1-CB 3.79Å; I822-L830 HydrophobicContact CD1-CD1 3.49Å; I822-L830 VanDerWaalsContact CD1-CD1 3.49Å; I822-L830 HydrophobicContact CD1-CG 4.17Å; L830-T832 HydrophobicContact CD2-CG2 4.12Å; L830-T832 HydrophobicContact CG-CG2 4.38Å; L830-T832 PolarHBondContact O-N 3Å
831	D	49.2	Very low	62.9	Low	109 Å²	109	67.1 Å²	67.1	58%	0.583	34%	0.339	S	S	*	.			trans	-67.4	112.7	168.7	-178.4	3.4	0	0	0	109.2	S833	D831-S833 VanDerWaalsContact OD1-CB 3.24Å; D831-S833 WeakPolarHBondContact OD1-CB 3.45Å; D831-S833 PolarHBondContact OD1-N 3.23Å; D831-S833 PolarHBondContact OD1-OG 3.19Å; D831-S833 PolarHBondContact OD2-OG 2.97Å
832	T	49.7	Very low	61.1	Low	48 Å²	48	68.7 Å²	68.7	29%	0.294	35%	0.354	S	S	.	.			trans	-102.3	10.4	177.9	55.8	0	0	0	0	112.7	A80 L830 H835	A80-T832 HydrophobicContact CB-CG2 3.99Å; L830-T832 HydrophobicContact CD2-CG2 4.12Å; L830-T832 HydrophobicContact CG-CG2 4.38Å; L830-T832 PolarHBondContact O-N 3Å; T832-H835 PolarHBondContact O-CE1 2.94Å
833	S	35.5	Very low	58.9	Low	74 Å²	74	77.5 Å²	77.5	52%	0.517	39%	0.387	S	S	.	.			trans	-74	-31.2	-177.6	66.6	0	0	0	0	113.7	D831 H835	D831-S833 VanDerWaalsContact OD1-CB 3.24Å; D831-S833 WeakPolarHBondContact OD1-CB 3.45Å; D831-S833 PolarHBondContact OD1-N 3.23Å; D831-S833 PolarHBondContact OD1-OG 3.19Å; D831-S833 PolarHBondContact OD2-OG 2.97Å; S833-H835 VanDerWaalsContact C-N 3.27Å; S833-H835 PolarHBondContact O-N 3.35Å
834	D	41.8	Very low	57.1	Low	114 Å²	114	80.2 Å²	80.2	61%	0.61	40%	0.399	S	S	*	.	S	Bend	trans	-74.8	73.1	172.1	-98.7	-18	0	0	0	110.2	K815 A836	K815-D834 IonicContact NZ-OD2 2.88Å; K815-D834 PolarHBondContact NZ-OD2 3.04Å; D834-A836 PolarHBondContact O-N 3.25Å
835	H	44.9	Very low	55.1	Low	106 Å²	106	86.7 Å²	86.7	49%	0.491	42%	0.422	S	S	.	.			trans	-65	116.1	174.4	-70	-59.3	0	0	0	111.6	E397 T832 S833 H837	E397-H835 IonicContact OE1-ND1 2.62Å; T832-H835 PolarHBondContact O-CE1 2.94Å; S833-H835 VanDerWaalsContact C-N 3.27Å; S833-H835 PolarHBondContact O-N 3.35Å; H835-H837 PolarHBondContact O-N 3.14Å
836	A	51.8	Low	52.4	Low	25 Å²	25	85.9 Å²	85.9	21%	0.207	43%	0.431	C	S	.	.			trans	-70.8	90.5	171	0	0	0	0	0	110.5	E390 R416 D834	E390-A836 WeakPolarHBondContact OE1-CB 3.45Å; R416-A836 WeakPolarHBondContact CD-O 3.23Å; R416-A836 HydrophobicContact CG-CB 4.21Å; D834-A836 PolarHBondContact O-N 3.25Å
837	H	54.6	Low	50.2	Low	151 Å²	151	87.5 Å²	87.5	70%	0.699	46%	0.456	S	S	*	.			trans	-57.4	148.5	176.3	-62.7	-57.1	0	0	0	112.2	H835 E839	H835-H837 PolarHBondContact O-N 3.14Å; H837-E839 PolarHBondContact O-N 3.27Å
838	L	55.2	Low	49	Very low	58 Å²	58	83.8 Å²	83.8	30%	0.304	44%	0.439	S	S	.	.	B	Isolated β-bridge	trans	-67.9	111	175.2	-164.3	89	0	0	0	109.8	P403 C405 R416 P418	P403-L838 HydrophobicContact CG-CD1 4.39Å; P403-L838 HydrophobicContact CG-CD2 3.45Å; P403-L838 VanDerWaalsContact CG-CD2 3.45Å; C405-L838 HydrophobicContact CB-CD1 3.78Å; R416-L838 HydrophobicContact CB-CD1 4.42Å; P418-L838 HydrophobicContact CG-CD2 3.96Å; P418-L838 HydrophobicContact CG-CG 4.19Å
839	E	64.4	Low	47.2	Very low	78 Å²	78	85.8 Å²	85.8	36%	0.364	47%	0.468	S	S	.	.			trans	-93.1	119.7	179.9	-71.8	-174.1	173.8	0	0	111.4	R416 L417 P418 H837 K844	R416-E839 PolarHBondContact O-N 3.42Å; L417-E839 HydrophobicContact CD2-CB 3.79Å; L417-E839 WeakPolarHBondContact CD2-O 3.26Å; P418-E839 WeakPolarHBondContact CD-O 3.43Å; H837-E839 PolarHBondContact O-N 3.27Å; E839-K844 WeakPolarHBondContact OE2-CE 3.43Å; E839-K844 IonicContact OE2-NZ 3.11Å; E839-K844 PolarHBondContact OE2-NZ 3.31Å
840	H	66.7	Low	45.9	Very low	75 Å²	75	85.7 Å²	85.7	35%	0.347	48%	0.479	S	S	.	.			trans	-75.1	133.7	171.5	-68.2	-85	0	0	0	111.6	E421 T842 R843 K844	E421-H840 IonicContact OE1-CE1 2.69Å; E421-H840 IonicContact OE1-CG 2.85Å; E421-H840 IonicContact OE1-ND1 3.45Å; E421-H840 PolarHBondContact OE1-ND1 2.88Å; E421-H840 IonicContact OE2-ND1 2.62Å; H840-T842 VanDerWaalsContact C-N 3.26Å; H840-T842 PolarHBondContact O-N 3.02Å; H840-R843 PolarHBondContact O-N 3.46Å; H840-K844 PolarHBondContact O-N 3.47Å
841	I	57.4	Low	44.4	Very low	20 Å²	20	95.1 Å²	95.1	10%	0.103	54%	0.537	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-32.6	-178.1	-61.6	176.5	0	0	0	111	L417 E421 C422 K844 R845	L417-I841 HydrophobicContact CD1-CG1 4.41Å; E421-I841 HydrophobicContact CB-CD1 3.86Å; E421-I841 HydrophobicContact CB-CG1 4.31Å; E421-I841 PolarHBondContact OE2-N 3.15Å; C422-I841 HydrophobicContact CB-CD1 4.29Å; I841-K844 VanDerWaalsContact O-CB 3.28Å; I841-K844 WeakPolarHBondContact O-CB 3.41Å; I841-K844 PolarHBondContact O-N 3.08Å; I841-R845 PolarHBondContact O-N 2.86Å
842	T	48.8	Very low	44.2	Very low	95 Å²	95	94.4 Å²	94.4	58%	0.583	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-43.9	177.6	49.1	0	0	0	0	112.4	H840 K844 R845 S846	H840-T842 VanDerWaalsContact C-N 3.26Å; H840-T842 PolarHBondContact O-N 3.02Å; T842-K844 VanDerWaalsContact C-N 3.26Å; T842-K844 PolarHBondContact O-N 2.79Å; T842-R845 PolarHBondContact O-N 3.04Å; T842-S846 PolarHBondContact O-N 2.89Å; T842-S846 PolarHBondContact O-OG 2.67Å
843	R	42.5	Very low	43.9	Very low	190 Å²	190	96.8 Å²	96.8	72%	0.717	55%	0.547	S	S	*	.	H	α-helix	trans	-61.4	-35.1	173.4	-78.4	-174.9	172	177.6	-1.5	112.3	H840 R845 S846 G847	H840-R843 PolarHBondContact O-N 3.46Å; R843-R845 PolarHBondContact O-N 3Å; R843-S846 PolarHBondContact O-N 3.07Å; R843-S846 PolarHBondContact O-OG 2.74Å; R843-G847 PolarHBondContact O-N 3.26Å
844	K	48.7	Very low	44.4	Very low	60 Å²	60	98.1 Å²	98.1	26%	0.261	55%	0.549	S	S	.	.	H	α-helix	trans	-66	-13.2	175.6	-129	163	-178.3	163.3	0	113.9	S410 E839 H840 I841 T842	S410-K844 PolarHBondContact OG-NZ 2.86Å; E839-K844 WeakPolarHBondContact OE2-CE 3.43Å; E839-K844 IonicContact OE2-NZ 3.11Å; E839-K844 PolarHBondContact OE2-NZ 3.31Å; H840-K844 PolarHBondContact O-N 3.47Å; I841-K844 VanDerWaalsContact O-CB 3.28Å; I841-K844 WeakPolarHBondContact O-CB 3.41Å; I841-K844 PolarHBondContact O-N 3.08Å; T842-K844 VanDerWaalsContact C-N 3.26Å; T842-K844 PolarHBondContact O-N 2.79Å
845	R	43.3	Very low	44.5	Very low	141 Å²	141	97.2 Å²	97.2	53%	0.532	55%	0.545	S	S	.	.	H	α-helix	trans	-100.2	-28.2	174.1	-67.3	-175.9	178.2	-178	-0.3	113.5	I841 T842 R843	I841-R845 PolarHBondContact O-N 2.86Å; T842-R845 PolarHBondContact O-N 3.04Å; R843-R845 PolarHBondContact O-N 3Å
846	S	29.4	Very low	44.5	Very low	93 Å²	93	96.6 Å²	96.6	65%	0.65	55%	0.549	S	S	*	.	H	α-helix	trans	-94	-22.5	-178.7	54	0	0	0	0	114.9	T842 R843	T842-S846 PolarHBondContact O-N 2.89Å; T842-S846 PolarHBondContact O-OG 2.67Å; R843-S846 PolarHBondContact O-N 3.07Å; R843-S846 PolarHBondContact O-OG 2.74Å
847	G	30.8	Very low	44	Very low	64 Å²	64	101.4 Å²	101.4	66%	0.66	57%	0.572	S	S	*	*	S	Bend	trans	-80.3	-15.6	-174.7	0	0	0	0	0	116.7	R843	R843-G847 PolarHBondContact O-N 3.26Å
848	E	37.9	Very low	43.3	Very low	113 Å²	113	97.9 Å²	97.9	53%	0.528	56%	0.562	S	S	.	*			trans	-107.8	45.5	-175.9	-65	-177.5	173.7	0	0	111.8	R447	R447-E848 IonicContact CZ-OE2 2.66Å; R447-E848 IonicContact NH1-OE2 3.66Å; R447-E848 PolarHBondContact NH1-OE2 3.37Å; R447-E848 IonicContact NH2-OE2 3.78Å; R447-E848 PolarHBondContact NH2-OE2 3.41Å
849	G	28.8	Very low	42.4	Very low	76 Å²	76	100.9 Å²	100.9	78%	0.784	58%	0.582	S	S	*	*	S	Bend	trans	-102.8	20.2	174.5	0	0	0	0	0	114.1
850	A	26.8	Very low	40.5	Very low	82 Å²	82	102.8 Å²	102.8	68%	0.678	60%	0.6	S	S	*	*			trans	-160.5	150.6	172.5	0	0	0	0	0	110.5
851	V	25	Very low	38.1	Very low	225 Å²	225	105.4 Å²	105.4	100%	1.364	62%	0.623	S	S	*	*			trans	78.3	0	-176.5	-165.3	0	0	0	0	115

Retrieved 851 of 851 residues in 254.1 ms (Link to these results)

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