A0A077Z708_TRITR Loading...

SNF2 N and HSA and Helicase C domain containing p rotein

AlphaFold DB , UniProt , Accession A0A077Z708, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 876 aa.

						>A0A077Z708_TRITR|A0A077Z708
MPDEPVDKNEVLIIEERSVESAEAGSSRSSPSDSDLETVCTVLIAEIICNREANIMRRIGELRKMGCWSQSLLPKCSEPRRLKSYWDNFIAEACWMSKDFAEERKLKKFVGKKMAAACSKAVRDKSDRPRRLCLERQKQRKRVSSLENKLVRQLWFQVDKVVILFFFLITALKWYDSDYSAERQGQLACIAEAAEKLQPKGYTLESEEIKVPFLLKHKLREYQLVGLHWLITLNRKGLNGILADEMGLGKTIQTIALLAHLACENFDWGPHLVIVPTSVLLNWEMEFKKWCPSFKILTYYGHLKERKEKRRGWCKDNNFHICITSYKLVVQDYATFRRRKWHYMILDEAQNIKNFKSMRWQALLNFNTTRRLLLTGTPLQNSLMELWSLMHFLMPNVFQSHSDFREWFSNPLTNMIDGSVEFDEQLVKRLHKVLRPFLLRRLKSEVERQLPKKFEHVMMCELSKRQRYLYNEFMSRSSTRSQLASGNVINVIGILMQLRKVCNHPNLFEPRPVVSPFWMPAISWRVPGLCCDLGLGSVGKVQQVEALYHSAYVVGVKDVLTHYPFRAALFIPGVSTTRVEPVISHRFPYEDLYDAALEKKCQEYLNDALQPYREFLLSHSLLFPESSLIEYDCGKLHVLANILRDLRANGHRCLIFTQMARMLDILEIFLNHHGYKYLRLDGATGVERRQVLMERFNEDRRILCFILSTRSGGLGVNLTGADTVIFYDSDWNPTMDAQAQDRCHRIGQTRDVNIYRLICARTVEENILIKANQKRKLGELAIEEGCFRPNFLREVDLRIGWDVQAMADAEDDTDVVAAKVASAEAAFDKEDFEENEELQQKQSAQYGSNVEQSDPEVAKVDLEMKEMLCEVFLTLY
					

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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	37.6	Very low	34.8	Very low	242 Å²	242	155.4 Å²	155.4	100%	1.192	82%	0.821	S	S	*	*				0	126.1	0	-73.2	-130	174.2	0	0	106.8
2	P	39.4	Very low	34.6	Very low	104 Å²	104	155.1 Å²	155.1	68%	0.675	82%	0.819	S	S	*	*				-126.8	-178.5	-116	36	-19.1	0	0	0	114.1
3	D	35.3	Very low	34	Very low	147 Å²	147	154.1 Å²	154.1	79%	0.786	81%	0.812	S	S	*	*			trans	93.8	90.7	156.7	-50.3	-28.1	0	0	0	119.3
4	E	33.9	Very low	34	Very low	193 Å²	193	154.1 Å²	154.1	90%	0.902	81%	0.811	S	S	*	*				39	162.4	116.2	-103.8	-169.7	-155.1	0	0	122.9
5	P	41.3	Very low	33.8	Very low	111 Å²	111	153.4 Å²	153.4	72%	0.721	80%	0.802	S	S	*	*				-115.5	165.7	-112.9	38.7	-23.2	0	0	0	114.8
6	V	37.9	Very low	33.3	Very low	131 Å²	131	156.3 Å²	156.3	79%	0.794	81%	0.81	S	S	*	*			trans	-140.2	119.2	169.2	179.6	0	0	0	0	110.9	K8	V6-K8 PolarHBondContact O-N 2.94Å
7	D	31.6	Very low	33.2	Very low	153 Å²	153	159.3 Å²	159.3	82%	0.818	81%	0.808	S	S	*	*			trans	-48.9	125.4	163.4	-90.2	-37.3	0	0	0	112.1
8	K	35.5	Very low	32.9	Very low	180 Å²	180	157.1 Å²	157.1	78%	0.783	81%	0.809	S	S	*	*			trans	-140.8	100.1	152.2	-72.8	-166.9	179.7	178.5	0	110.3	V6 E10	V6-K8 PolarHBondContact O-N 2.94Å; K8-E10 PolarHBondContact O-N 2.92Å; K8-E10 VanDerWaalsContact O-N 3.1Å
9	N	30.2	Very low	32.8	Very low	157 Å²	157	156.1 Å²	156.1	84%	0.84	81%	0.811	S	S	*	*			trans	-52	104.1	155.2	-77	-36.3	0	0	0	109.5
10	E	31.2	Very low	32.8	Very low	172 Å²	172	157.3 Å²	157.3	80%	0.804	81%	0.812	S	S	*	*			trans	-104.6	91.9	160.6	-83.8	-174	170.3	0	0	108.8	K8 L12	K8-E10 PolarHBondContact O-N 2.92Å; K8-E10 VanDerWaalsContact O-N 3.1Å; E10-L12 PolarHBondContact O-N 3.45Å
11	V	28.9	Very low	32.5	Very low	119 Å²	119	155.4 Å²	155.4	72%	0.721	81%	0.813	S	S	*	*			trans	-65.2	106.7	160.7	175.5	0	0	0	0	106.7	I13	V11-I13 VanDerWaalsContact C-N 3.33Å; V11-I13 HydrophobicContact CG1-CG1 4.15Å; V11-I13 PolarHBondContact O-N 2.8Å
12	L	32.1	Very low	32.3	Very low	152 Å²	152	148.9 Å²	148.9	80%	0.796	80%	0.798	S	S	*	*			trans	-71.2	92.5	168.7	-86.2	160.4	0	0	0	108.8	E10 I14	E10-L12 PolarHBondContact O-N 3.45Å; L12-I14 PolarHBondContact O-N 3.33Å
13	I	27.6	Very low	31.8	Very low	142 Å²	142	153.1 Å²	153.1	73%	0.728	81%	0.809	S	S	*	*			trans	-66.8	106.3	163.9	-60	171.9	0	0	0	106.6	V11	V11-I13 VanDerWaalsContact C-N 3.33Å; V11-I13 HydrophobicContact CG1-CG1 4.15Å; V11-I13 PolarHBondContact O-N 2.8Å
14	I	34.2	Very low	31.7	Very low	155 Å²	155	151.1 Å²	151.1	80%	0.795	81%	0.812	S	S	*	*			trans	-93.2	106	169.5	-61.9	176.6	0	0	0	106.5	L12	L12-I14 PolarHBondContact O-N 3.33Å
15	E	30.3	Very low	31.6	Very low	143 Å²	143	145.7 Å²	145.7	67%	0.668	81%	0.808	S	S	*	*			trans	-51.1	131.7	179.3	-65.3	179.4	148.8	0	0	112.7	R17	E15-R17 PolarHBondContact O-N 3Å
16	E	26.2	Very low	31.2	Very low	200 Å²	200	145.7 Å²	145.7	94%	0.935	81%	0.811	S	S	*	*			trans	-64.8	112	163.5	-71.5	-179.2	154.2	0	0	109.1
17	R	31.5	Very low	31.1	Very low	207 Å²	207	144 Å²	144	78%	0.781	81%	0.805	S	S	*	*			trans	-117.3	118.6	163.9	-82.8	-172.4	-179.1	-171.2	0.8	110.4	E15	E15-R17 PolarHBondContact O-N 3Å
18	S	27.2	Very low	31.1	Very low	119 Å²	119	148.8 Å²	148.8	83%	0.832	81%	0.811	S	S	*	*			trans	-35.9	125.5	165.9	38	0	0	0	0	114.1
19	V	32.3	Very low	31.2	Very low	139 Å²	139	145.7 Å²	145.7	84%	0.842	81%	0.813	S	S	*	*			trans	-128.2	101	162.9	-177.1	0	0	0	0	109.6
20	E	31.2	Very low	31.3	Very low	179 Å²	179	144 Å²	144	84%	0.836	81%	0.813	S	S	*	*			trans	-3.1	129	152.2	-66.9	168.7	164.3	0	0	119
21	S	27.4	Very low	31.6	Very low	118 Å²	118	140 Å²	140	83%	0.825	80%	0.802	S	S	*	*			trans	-50.9	127.7	164.2	45.3	0	0	0	0	113.8
22	A	33.2	Very low	32	Very low	105 Å²	105	138.7 Å²	138.7	87%	0.868	80%	0.798	S	S	*	*			trans	-114.5	123.6	161.4	0	0	0	0	0	109.9
23	E	29.7	Very low	32.3	Very low	194 Å²	194	138.8 Å²	138.8	91%	0.907	80%	0.799	S	S	*	*			trans	-79	132.7	-170	-56.6	169	138.7	0	0	112.6
24	A	32.8	Very low	33.2	Very low	104 Å²	104	135.6 Å²	135.6	86%	0.86	79%	0.79	S	S	*	*			trans	-177	109.1	146.5	0	0	0	0	0	106
25	G	31.8	Very low	33.5	Very low	80 Å²	80	131.1 Å²	131.1	83%	0.825	77%	0.768	S	S	*	*			cis	115.6	90.4	39.6	0	0	0	0	0	107.2
26	S	33.2	Very low	33.9	Very low	110 Å²	110	130.1 Å²	130.1	77%	0.769	77%	0.766	S	S	*	*			trans	145.7	99	146.6	-165.8	0	0	0	0	114.1
27	S	35.5	Very low	34.6	Very low	96 Å²	96	128.5 Å²	128.5	67%	0.671	76%	0.758	S	S	*	*			trans	61.2	98.8	134.5	67.2	0	0	0	0	122.4
28	R	30.8	Very low	35.2	Very low	253 Å²	253	122.7 Å²	122.7	96%	0.955	75%	0.746	S	S	*	*				59.4	107.7	117.5	-68.7	179.2	177.4	176.2	-1.2	120.2
29	S	37.2	Very low	36	Very low	116 Å²	116	121.3 Å²	121.3	81%	0.811	73%	0.732	S	S	*	*				-168.7	127.4	107.5	53.4	0	0	0	0	109.8
30	S	32.9	Very low	36.6	Very low	121 Å²	121	118.1 Å²	118.1	85%	0.846	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-61.5	131.3	-177.7	44.4	0	0	0	0	113.7
31	P	38.5	Very low	37.4	Very low	89 Å²	89	113.8 Å²	113.8	58%	0.578	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-104	150.6	161.4	25.8	-8.9	0	0	0	112.2	D35	P31-D35 WeakPolarHBondContact CB-OD2 3.22Å; P31-D35 WeakPolarHBondContact CG-OD2 3.33Å
32	S	37.3	Very low	38.5	Very low	91 Å²	91	112.6 Å²	112.6	64%	0.636	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-57.3	162.9	-175.7	40.4	0	0	0	0	115.4	S34 D35	S32-S34 PolarHBondContact O-N 2.6Å; S32-S34 PolarHBondContact O-OG 2.8Å; S32-D35 PolarHBondContact O-N 3.3Å
33	D	38.4	Very low	39.2	Very low	153 Å²	153	112.1 Å²	112.1	82%	0.818	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.6	-2.1	-177.1	-77.1	-35.4	0	0	0	117.6	D35	D33-D35 VanDerWaalsContact C-N 3.34Å
34	S	46.1	Very low	40.9	Very low	75 Å²	75	107.4 Å²	107.4	52%	0.524	65%	0.651	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75	-19	171.2	51.3	0	0	0	0	114.3	S32	S32-S34 PolarHBondContact O-N 2.6Å; S32-S34 PolarHBondContact O-OG 2.8Å
35	D	39.3	Very low	41.9	Very low	62 Å²	62	105.1 Å²	105.1	33%	0.332	63%	0.632	S	S	.	*	S	Bend	trans	-91.9	-11.7	-165.8	-69.8	15.4	0	0	0	113.5	P31 S32 D33 E37 T38 V39	P31-D35 WeakPolarHBondContact CB-OD2 3.22Å; P31-D35 WeakPolarHBondContact CG-OD2 3.33Å; S32-D35 PolarHBondContact O-N 3.3Å; D33-D35 VanDerWaalsContact C-N 3.34Å; D35-E37 PolarHBondContact O-N 3.24Å; D35-T38 PolarHBondContact O-N 2.51Å; D35-V39 WeakPolarHBondContact O-CG2 3.29Å; D35-V39 PolarHBondContact O-N 2.77Å; D35-V39 VanDerWaalsContact O-N 3.1Å
36	L	39.5	Very low	43.6	Very low	122 Å²	122	106.9 Å²	106.9	64%	0.639	62%	0.619	S	S	*	*	H	α-helix	trans	-69.1	-30	179.6	-95.6	139.7	0	0	0	113.3	C40	L36-C40 PolarHBondContact O-N 2.59Å
37	E	41	Very low	45.3	Very low	165 Å²	165	106.2 Å²	106.2	77%	0.771	61%	0.606	S	S	*	*	H	α-helix	trans	-76.9	-29.7	175.4	-71.3	-170.7	157.6	0	0	112.5	D35 T41	D35-E37 PolarHBondContact O-N 3.24Å; E37-T41 PolarHBondContact O-N 3.39Å; E37-T41 PolarHBondContact O-OG1 2.6Å
38	T	43.7	Very low	47	Very low	86 Å²	86	105.9 Å²	105.9	53%	0.528	60%	0.596	S	S	.	*	H	α-helix	trans	-79	-32.6	178.7	-22.5	0	0	0	0	112	D35 T41 V42	D35-T38 PolarHBondContact O-N 2.51Å; T38-T41 WeakPolarHBondContact CA-OG1 3.4Å; T38-T41 PolarHBondContact O-OG1 2.61Å; T38-V42 VanDerWaalsContact O-CG2 3.3Å; T38-V42 WeakPolarHBondContact O-CG2 3.41Å; T38-V42 PolarHBondContact O-N 3.12Å
39	V	44.5	Very low	48.6	Very low	89 Å²	89	97.7 Å²	97.7	54%	0.539	58%	0.577	S	S	.	*	H	α-helix	trans	-72.6	-38.5	175.9	175.6	0	0	0	0	111.7	D35 T41 V42 L43	D35-V39 WeakPolarHBondContact O-CG2 3.29Å; D35-V39 PolarHBondContact O-N 2.77Å; D35-V39 VanDerWaalsContact O-N 3.1Å; V39-T41 PolarHBondContact O-N 3.36Å; V39-V42 PolarHBondContact O-N 3.38Å; V39-L43 HydrophobicContact CG1-CD1 3.99Å; V39-L43 PolarHBondContact O-N 2.66Å; V39-L43 VanDerWaalsContact O-N 3.14Å
40	C	45.1	Very low	50.4	Low	72 Å²	72	96.7 Å²	96.7	49%	0.486	56%	0.562	S	S	.	*	H	α-helix	trans	-63.7	-39.1	175.3	-87.1	0	0	0	0	112.7	L36 I44	L36-C40 PolarHBondContact O-N 2.59Å; C40-I44 WeakPolarHBondContact O-CB 3.2Å; C40-I44 VanDerWaalsContact O-CD1 3.31Å; C40-I44 WeakPolarHBondContact O-CD1 3.36Å; C40-I44 WeakPolarHBondContact O-CG1 3.11Å; C40-I44 PolarHBondContact O-N 2.65Å; C40-I44 VanDerWaalsContact O-N 3.12Å
41	T	47.7	Very low	52.3	Low	88 Å²	88	99.7 Å²	99.7	54%	0.54	56%	0.555	S	S	.	*	H	α-helix	trans	-71.4	-35.3	179.9	44.1	0	0	0	0	113.1	E37 T38 V39 A45	E37-T41 PolarHBondContact O-N 3.39Å; E37-T41 PolarHBondContact O-OG1 2.6Å; T38-T41 WeakPolarHBondContact CA-OG1 3.4Å; T38-T41 PolarHBondContact O-OG1 2.61Å; V39-T41 PolarHBondContact O-N 3.36Å; T41-A45 WeakPolarHBondContact O-CB 3.25Å; T41-A45 PolarHBondContact O-N 3.13Å; T41-A45 VanDerWaalsContact O-N 3.13Å
42	V	49.9	Very low	53.8	Low	94 Å²	94	100.9 Å²	100.9	57%	0.57	55%	0.553	S	S	*	*	H	α-helix	trans	-70.4	-42.5	176.3	176.6	0	0	0	0	111.8	T38 V39 A45 E46	T38-V42 VanDerWaalsContact O-CG2 3.3Å; T38-V42 WeakPolarHBondContact O-CG2 3.41Å; T38-V42 PolarHBondContact O-N 3.12Å; V39-V42 PolarHBondContact O-N 3.38Å; V42-A45 PolarHBondContact O-N 2.8Å; V42-E46 PolarHBondContact O-N 2.91Å; V42-E46 VanDerWaalsContact O-N 3.09Å
43	L	49.1	Very low	55.5	Low	94 Å²	94	98.7 Å²	98.7	49%	0.492	54%	0.54	S	S	.	.	H	α-helix	trans	-64.5	-40.7	176.5	-80.9	165.3	0	0	0	112.4	V39 E46 I47	V39-L43 HydrophobicContact CG1-CD1 3.99Å; V39-L43 PolarHBondContact O-N 2.66Å; V39-L43 VanDerWaalsContact O-N 3.14Å; L43-E46 PolarHBondContact O-N 3.44Å; L43-I47 VanDerWaalsContact O-CG1 3.29Å; L43-I47 WeakPolarHBondContact O-CG1 3.2Å; L43-I47 PolarHBondContact O-N 2.65Å; L43-I47 VanDerWaalsContact O-N 3.09Å
44	I	64.1	Low	57.3	Low	95 Å²	95	95.7 Å²	95.7	49%	0.487	52%	0.524	S	S	.	.	H	α-helix	trans	-64	-42.2	176.6	-68.6	165.7	0	0	0	110.7	C40 E46 I47 I48	C40-I44 WeakPolarHBondContact O-CB 3.2Å; C40-I44 VanDerWaalsContact O-CD1 3.31Å; C40-I44 WeakPolarHBondContact O-CD1 3.36Å; C40-I44 WeakPolarHBondContact O-CG1 3.11Å; C40-I44 PolarHBondContact O-N 2.65Å; C40-I44 VanDerWaalsContact O-N 3.12Å; I44-E46 VanDerWaalsContact C-N 3.35Å; I44-E46 PolarHBondContact O-N 3.23Å; I44-I47 PolarHBondContact O-N 2.79Å; I44-I48 HydrophobicContact CG2-CD1 3.74Å; I44-I48 HydrophobicContact CG2-CG1 4.43Å; I44-I48 VanDerWaalsContact O-CG1 3.28Å; I44-I48 WeakPolarHBondContact O-CG1 3.36Å; I44-I48 PolarHBondContact O-N 2.61Å
45	A	55.5	Low	58.7	Low	56 Å²	56	97 Å²	97	46%	0.463	52%	0.524	S	S	.	.	H	α-helix	trans	-62.6	-40.4	177.8	0	0	0	0	0	112.4	T41 V42 I48 C49	T41-A45 WeakPolarHBondContact O-CB 3.25Å; T41-A45 PolarHBondContact O-N 3.13Å; T41-A45 VanDerWaalsContact O-N 3.13Å; V42-A45 PolarHBondContact O-N 2.8Å; A45-I48 PolarHBondContact O-N 3.22Å; A45-C49 WeakPolarHBondContact O-CB 2.87Å; A45-C49 PolarHBondContact O-N 3.49Å
46	E	65.8	Low	60.3	Low	118 Å²	118	99.5 Å²	99.5	55%	0.551	54%	0.535	S	S	*	.	H	α-helix	trans	-67.6	-38.8	178.3	-161.6	172.3	-164.6	0	0	112.2	V42 L43 I44 N50	V42-E46 PolarHBondContact O-N 2.91Å; V42-E46 VanDerWaalsContact O-N 3.09Å; L43-E46 PolarHBondContact O-N 3.44Å; I44-E46 VanDerWaalsContact C-N 3.35Å; I44-E46 PolarHBondContact O-N 3.23Å; E46-N50 WeakPolarHBondContact O-CB 3.18Å; E46-N50 PolarHBondContact O-N 2.72Å; E46-N50 PolarHBondContact O-ND2 2.72Å
47	I	70.5	Confident	62	Low	96 Å²	96	100.8 Å²	100.8	49%	0.492	53%	0.531	S	S	.	.	H	α-helix	trans	-64.2	-42.2	174.3	-67.4	166.7	0	0	0	111.3	L43 I44 R51	L43-I47 VanDerWaalsContact O-CG1 3.29Å; L43-I47 WeakPolarHBondContact O-CG1 3.2Å; L43-I47 PolarHBondContact O-N 2.65Å; L43-I47 VanDerWaalsContact O-N 3.09Å; I44-I47 PolarHBondContact O-N 2.79Å; I47-R51 PolarHBondContact O-N 3.26Å
48	I	69.6	Low	63.7	Low	89 Å²	89	99.2 Å²	99.2	46%	0.456	52%	0.518	S	S	.	.	H	α-helix	trans	-65.3	-48.2	178.3	-67.2	167.4	0	0	0	110.5	I44 A45 N50 R51 E52	I44-I48 HydrophobicContact CG2-CD1 3.74Å; I44-I48 HydrophobicContact CG2-CG1 4.43Å; I44-I48 VanDerWaalsContact O-CG1 3.28Å; I44-I48 WeakPolarHBondContact O-CG1 3.36Å; I44-I48 PolarHBondContact O-N 2.61Å; A45-I48 PolarHBondContact O-N 3.22Å; I48-N50 VanDerWaalsContact C-N 3.33Å; I48-N50 PolarHBondContact O-N 3.38Å; I48-R51 PolarHBondContact O-N 3.45Å; I48-E52 PolarHBondContact O-N 3.27Å
49	C	65.9	Low	65.1	Low	81 Å²	81	96.8 Å²	96.8	55%	0.547	50%	0.502	S	S	.	.	H	α-helix	trans	-59.7	-41.9	178.2	-111.9	0	0	0	0	112.3	A45 E52 A53	A45-C49 WeakPolarHBondContact O-CB 2.87Å; A45-C49 PolarHBondContact O-N 3.49Å; C49-E52 PolarHBondContact O-N 2.68Å; C49-A53 WeakPolarHBondContact O-CB 2.79Å; C49-A53 PolarHBondContact O-N 2.79Å
50	N	73.5	Confident	66.5	Low	95 Å²	95	94 Å²	94	51%	0.508	49%	0.492	S	S	.	.	H	α-helix	trans	-67.5	-36.4	177.1	-80.4	-35.9	0	0	0	112.7	E46 I48 N54	E46-N50 WeakPolarHBondContact O-CB 3.18Å; E46-N50 PolarHBondContact O-N 2.72Å; E46-N50 PolarHBondContact O-ND2 2.72Å; I48-N50 VanDerWaalsContact C-N 3.33Å; I48-N50 PolarHBondContact O-N 3.38Å; N50-N54 WeakPolarHBondContact O-CB 3.25Å; N50-N54 PolarHBondContact O-N 3.45Å; N50-N54 VanDerWaalsContact O-N 3.09Å
51	R	72.5	Confident	68.1	Low	184 Å²	184	94.5 Å²	94.5	69%	0.694	49%	0.487	S	S	*	.	H	α-helix	trans	-63.7	-47.1	172	-87	-178.5	171.4	175.2	-1	111.6	I47 I48 A53 N54 I55	I47-R51 PolarHBondContact O-N 3.26Å; I48-R51 PolarHBondContact O-N 3.45Å; R51-A53 PolarHBondContact O-N 2.7Å; R51-N54 PolarHBondContact O-N 2.93Å; R51-I55 VanDerWaalsContact O-CG1 3.31Å; R51-I55 WeakPolarHBondContact O-CG1 3.29Å; R51-I55 PolarHBondContact O-N 2.77Å
52	E	70	Confident	69.5	Low	114 Å²	114	92.2 Å²	92.2	53%	0.533	47%	0.471	S	S	.	.	H	α-helix	trans	-61.6	-42.7	177.7	-72.9	-168.6	155.5	0	0	112.4	I48 C49 N54 I55 M56	I48-E52 PolarHBondContact O-N 3.27Å; C49-E52 PolarHBondContact O-N 2.68Å; E52-N54 VanDerWaalsContact C-N 3.35Å; E52-N54 PolarHBondContact O-N 3.44Å; E52-I55 PolarHBondContact O-N 2.75Å; E52-M56 WeakPolarHBondContact O-CG 3.42Å; E52-M56 PolarHBondContact O-N 3.13Å
53	A	73.3	Confident	70.6	Confident	44 Å²	44	94 Å²	94	36%	0.364	47%	0.468	S	S	.	.	H	α-helix	trans	-62	-41.1	177.1	0	0	0	0	0	112.1	C49 R51 M56 R57	C49-A53 WeakPolarHBondContact O-CB 2.79Å; C49-A53 PolarHBondContact O-N 2.79Å; R51-A53 PolarHBondContact O-N 2.7Å; A53-M56 PolarHBondContact O-N 3.42Å; A53-R57 WeakPolarHBondContact O-CB 3.21Å; A53-R57 PolarHBondContact O-N 2.76Å
54	N	77.6	Confident	71.9	Confident	90 Å²	90	98.9 Å²	98.9	48%	0.481	49%	0.485	S	S	.	.	H	α-helix	trans	-66.7	-40.1	176.1	-79.9	-20	0	0	0	112.3	N50 R51 E52 R57 R58	N50-N54 WeakPolarHBondContact O-CB 3.25Å; N50-N54 PolarHBondContact O-N 3.45Å; N50-N54 VanDerWaalsContact O-N 3.09Å; R51-N54 PolarHBondContact O-N 2.93Å; E52-N54 VanDerWaalsContact C-N 3.35Å; E52-N54 PolarHBondContact O-N 3.44Å; N54-R57 PolarHBondContact O-N 2.7Å; N54-R57 PolarHBondContact OD1-NH1 2.8Å; N54-R58 PolarHBondContact O-N 2.84Å
55	I	75.2	Confident	72.6	Confident	103 Å²	103	100.5 Å²	100.5	53%	0.528	49%	0.492	S	S	.	.	H	α-helix	trans	-61.5	-47.5	175.2	-68.2	166	0	0	0	110.5	R51 E52 R57 R58 I59	R51-I55 VanDerWaalsContact O-CG1 3.31Å; R51-I55 WeakPolarHBondContact O-CG1 3.29Å; R51-I55 PolarHBondContact O-N 2.77Å; E52-I55 PolarHBondContact O-N 2.75Å; I55-R57 VanDerWaalsContact C-N 3.31Å; I55-R57 PolarHBondContact O-N 2.74Å; I55-R58 PolarHBondContact O-N 2.7Å; I55-I59 HydrophobicContact CG2-CD1 3.81Å; I55-I59 HydrophobicContact CG2-CG1 4.44Å; I55-I59 VanDerWaalsContact O-CG1 3.32Å; I55-I59 WeakPolarHBondContact O-CG1 3.19Å; I55-I59 PolarHBondContact O-N 3.46Å
56	M	72	Confident	73.4	Confident	115 Å²	115	101 Å²	101	57%	0.567	50%	0.502	S	S	*	.	H	α-helix	trans	-64.3	-36.3	179	-70.1	-67.5	-102.4	0	0	112.3	E52 A53 I59 G60	E52-M56 WeakPolarHBondContact O-CG 3.42Å; E52-M56 PolarHBondContact O-N 3.13Å; A53-M56 PolarHBondContact O-N 3.42Å; M56-I59 HydrophobicContact SD-CD1 4.24Å; M56-G60 PolarHBondContact O-N 3.22Å
57	R	75.9	Confident	73.5	Confident	149 Å²	149	100.1 Å²	100.1	56%	0.562	51%	0.508	S	S	*	.	H	α-helix	trans	-64.1	-43.7	174.1	-154	-177	-63.9	126.7	1.9	111	A53 N54 I55 G60 E61	A53-R57 WeakPolarHBondContact O-CB 3.21Å; A53-R57 PolarHBondContact O-N 2.76Å; N54-R57 PolarHBondContact O-N 2.7Å; N54-R57 PolarHBondContact OD1-NH1 2.8Å; I55-R57 VanDerWaalsContact C-N 3.31Å; I55-R57 PolarHBondContact O-N 2.74Å; R57-G60 PolarHBondContact O-N 3.35Å; R57-E61 PolarHBondContact O-N 2.79Å
58	R	75.7	Confident	73	Confident	131 Å²	131	100.7 Å²	100.7	49%	0.494	50%	0.504	S	S	.	.	H	α-helix	trans	-66.4	-39.7	178	-171.8	57	173.6	171.3	-0.3	113.1	N54 I55 G60 E61 L62	N54-R58 PolarHBondContact O-N 2.84Å; I55-R58 PolarHBondContact O-N 2.7Å; R58-G60 VanDerWaalsContact C-N 3.28Å; R58-G60 PolarHBondContact O-N 3.25Å; R58-E61 WeakPolarHBondContact CD-OE2 3.25Å; R58-E61 IonicContact CZ-OE2 3.03Å; R58-E61 IonicContact NH1-OE2 3.79Å; R58-E61 PolarHBondContact NH1-OE2 3.33Å; R58-E61 PolarHBondContact O-N 3.43Å; R58-L62 HydrophobicContact CG-CD1 4.11Å; R58-L62 WeakPolarHBondContact O-CG 3.32Å; R58-L62 PolarHBondContact O-N 2.59Å
59	I	74.5	Confident	72.3	Confident	35 Å²	35	99 Å²	99	18%	0.179	50%	0.5	C	S	.	.	H	α-helix	trans	-59.3	-41.7	171.9	-67.7	165	0	0	0	110.3	I55 M56 E61 L62 R63 W68	I55-I59 HydrophobicContact CG2-CD1 3.81Å; I55-I59 HydrophobicContact CG2-CG1 4.44Å; I55-I59 VanDerWaalsContact O-CG1 3.32Å; I55-I59 WeakPolarHBondContact O-CG1 3.19Å; I55-I59 PolarHBondContact O-N 3.46Å; M56-I59 HydrophobicContact SD-CD1 4.24Å; I59-E61 PolarHBondContact O-N 2.78Å; I59-L62 PolarHBondContact O-N 3.49Å; I59-R63 HydrophobicContact CG2-CG 4.49Å; I59-R63 WeakPolarHBondContact O-CB 3.33Å; I59-R63 WeakPolarHBondContact O-CG 2.92Å; I59-R63 PolarHBondContact O-N 2.71Å; I59-W68 HydrophobicContact CB-CZ3 4.22Å; I59-W68 HydrophobicContact CD1-CH2 4.34Å; I59-W68 HydrophobicContact CG1-CE3 4.3Å; I59-W68 HydrophobicContact CG1-CH2 3.66Å; I59-W68 HydrophobicContact CG1-CZ3 3.52Å; I59-W68 HydrophobicContact CG2-CE3 4.49Å; I59-W68 HydrophobicContact CG2-CZ3 4.49Å
60	G	73.2	Confident	71.9	Confident	32 Å²	32	104.1 Å²	104.1	33%	0.33	52%	0.516	S	S	.	.	H	α-helix	trans	-61.9	-40.1	176	0	0	0	0	0	113.8	M56 R57 R58 K64	M56-G60 PolarHBondContact O-N 3.22Å; R57-G60 PolarHBondContact O-N 3.35Å; R58-G60 VanDerWaalsContact C-N 3.28Å; R58-G60 PolarHBondContact O-N 3.25Å; G60-K64 WeakPolarHBondContact O-CG 2.9Å; G60-K64 PolarHBondContact O-N 3.16Å
61	E	79.5	Confident	71	Confident	82 Å²	82	104.4 Å²	104.4	38%	0.383	53%	0.526	S	S	.	.	H	α-helix	trans	-65.1	-46.3	174.4	-70.6	173.4	179.6	0	0	112	R57 R58 I59 R63 K64 M65	R57-E61 PolarHBondContact O-N 2.79Å; R58-E61 WeakPolarHBondContact CD-OE2 3.25Å; R58-E61 IonicContact CZ-OE2 3.03Å; R58-E61 IonicContact NH1-OE2 3.79Å; R58-E61 PolarHBondContact NH1-OE2 3.33Å; R58-E61 PolarHBondContact O-N 3.43Å; I59-E61 PolarHBondContact O-N 2.78Å; E61-R63 VanDerWaalsContact C-N 3.33Å; E61-R63 PolarHBondContact O-N 3.24Å; E61-K64 WeakPolarHBondContact O-CB 3.47Å; E61-K64 PolarHBondContact O-N 2.69Å; E61-K64 VanDerWaalsContact O-N 3.1Å; E61-M65 WeakPolarHBondContact O-CG 3.25Å; E61-M65 PolarHBondContact O-N 3.44Å
62	L	76.6	Confident	70.1	Confident	40 Å²	40	101.8 Å²	101.8	21%	0.209	53%	0.525	C	S	.	.	H	α-helix	trans	-67.6	-32	-179.4	-71.3	168	0	0	0	112.5	R58 I59 M65 G66 C67 W68	R58-L62 HydrophobicContact CG-CD1 4.11Å; R58-L62 WeakPolarHBondContact O-CG 3.32Å; R58-L62 PolarHBondContact O-N 2.59Å; I59-L62 PolarHBondContact O-N 3.49Å; L62-M65 PolarHBondContact O-N 2.88Å; L62-G66 PolarHBondContact O-N 2.76Å; L62-C67 PolarHBondContact O-N 2.87Å; L62-W68 HydrophobicContact CB-CB 4.24Å; L62-W68 HydrophobicContact CB-CE3 3.68Å; L62-W68 HydrophobicContact CB-CZ3 4.47Å; L62-W68 HydrophobicContact CD1-CE3 3.46Å; L62-W68 VanDerWaalsContact CD1-CE3 3.46Å; L62-W68 HydrophobicContact CD1-CZ3 3.52Å; L62-W68 HydrophobicContact CG-CE3 4.21Å
63	R	72.6	Confident	69.4	Low	132 Å²	132	103 Å²	103	50%	0.498	53%	0.534	S	S	.	.	H	α-helix	trans	-64.5	-39.8	169.1	-76.9	179.1	-179	-170	0.3	112.2	I59 E61 M65 G66	I59-R63 HydrophobicContact CG2-CG 4.49Å; I59-R63 WeakPolarHBondContact O-CB 3.33Å; I59-R63 WeakPolarHBondContact O-CG 2.92Å; I59-R63 PolarHBondContact O-N 2.71Å; E61-R63 VanDerWaalsContact C-N 3.33Å; E61-R63 PolarHBondContact O-N 3.24Å; R63-M65 VanDerWaalsContact C-N 3.31Å; R63-G66 PolarHBondContact O-N 2.84Å
64	K	76.8	Confident	68.3	Low	195 Å²	195	106.6 Å²	106.6	85%	0.848	55%	0.554	S	S	*	*	H	α-helix	trans	-67.3	-31.7	175.3	-74.8	178.1	-179.2	177.5	0	112.6	G60 E61 G66	G60-K64 WeakPolarHBondContact O-CG 2.9Å; G60-K64 PolarHBondContact O-N 3.16Å; E61-K64 WeakPolarHBondContact O-CB 3.47Å; E61-K64 PolarHBondContact O-N 2.69Å; E61-K64 VanDerWaalsContact O-N 3.1Å; K64-G66 VanDerWaalsContact C-N 3.32Å
65	M	77.5	Confident	67	Low	130 Å²	130	110.9 Å²	110.9	64%	0.64	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-5.1	177.9	-67	-174.9	-179.2	0	0	113.9	E61 L62 R63 C67	E61-M65 WeakPolarHBondContact O-CG 3.25Å; E61-M65 PolarHBondContact O-N 3.44Å; L62-M65 PolarHBondContact O-N 2.88Å; R63-M65 VanDerWaalsContact C-N 3.31Å; M65-C67 PolarHBondContact O-N 2.73Å
66	G	72.3	Confident	65.7	Low	65 Å²	65	111.8 Å²	111.8	67%	0.67	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.7	3.6	-178.7	0	0	0	0	0	114.8	L62 R63 K64 W68	L62-G66 PolarHBondContact O-N 2.76Å; R63-G66 PolarHBondContact O-N 2.84Å; K64-G66 VanDerWaalsContact C-N 3.32Å; G66-W68 VanDerWaalsContact C-N 3.3Å; G66-W68 PolarHBondContact O-N 3.45Å
67	C	68.9	Low	64.6	Low	101 Å²	101	111.3 Å²	111.3	68%	0.682	59%	0.59	S	S	*	*			trans	-82.7	-0.9	-178.1	-56.5	0	0	0	0	113.9	L62 M65	L62-C67 PolarHBondContact O-N 2.87Å; M65-C67 PolarHBondContact O-N 2.73Å
68	W	60.3	Low	62.9	Low	107 Å²	107	112.3 Å²	112.3	41%	0.405	60%	0.601	S	S	.	*	S	Bend	trans	-126.1	103	177.7	-155.1	-32.7	0	0	0	109.6	I59 L62 G66	I59-W68 HydrophobicContact CB-CZ3 4.22Å; I59-W68 HydrophobicContact CD1-CH2 4.34Å; I59-W68 HydrophobicContact CG1-CE3 4.3Å; I59-W68 HydrophobicContact CG1-CH2 3.66Å; I59-W68 HydrophobicContact CG1-CZ3 3.52Å; I59-W68 HydrophobicContact CG2-CE3 4.49Å; I59-W68 HydrophobicContact CG2-CZ3 4.49Å; L62-W68 HydrophobicContact CB-CB 4.24Å; L62-W68 HydrophobicContact CB-CE3 3.68Å; L62-W68 HydrophobicContact CB-CZ3 4.47Å; L62-W68 HydrophobicContact CD1-CE3 3.46Å; L62-W68 VanDerWaalsContact CD1-CE3 3.46Å; L62-W68 HydrophobicContact CD1-CZ3 3.52Å; L62-W68 HydrophobicContact CG-CE3 4.21Å; G66-W68 VanDerWaalsContact C-N 3.3Å; G66-W68 PolarHBondContact O-N 3.45Å
69	S	55.6	Low	61.5	Low	55 Å²	55	111.7 Å²	111.7	39%	0.385	61%	0.614	S	S	.	*			trans	-77	146.8	175.8	79	0	0	0	0	110.9	S71	S69-S71 PolarHBondContact O-N 3.39Å; S69-S71 PolarHBondContact OG-OG 2.73Å
70	Q	56.6	Low	60.3	Low	188 Å²	188	120.5 Å²	120.5	88%	0.879	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-6	-180	-75.3	178.5	-13.8	0	0	114.1
71	S	54	Low	59.4	Low	101 Å²	101	127.2 Å²	127.2	71%	0.706	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-11.2	-168	61.8	0	0	0	0	115.7	S69	S69-S71 PolarHBondContact O-N 3.39Å; S69-S71 PolarHBondContact OG-OG 2.73Å
72	L	54.5	Low	58.3	Low	129 Å²	129	131 Å²	131	68%	0.675	68%	0.682	S	S	*	*	S	Bend	trans	-99.9	-19.9	-160.3	-95.2	154.1	0	0	0	116.9
73	L	55.5	Low	57.7	Low	139 Å²	139	136.4 Å²	136.4	73%	0.728	70%	0.704	S	S	*	*			trans	-152.5	108.4	173.7	-74	171.2	0	0	0	110.8
74	P	50.6	Low	57.7	Low	120 Å²	120	131.4 Å²	131.4	78%	0.779	69%	0.69	S	S	*	*			trans	-61.2	138.5	166.9	25.2	-30.4	0	0	0	108.9	C76	P74-C76 PolarHBondContact O-N 2.81Å
75	K	49.5	Very low	57.7	Low	180 Å²	180	130.3 Å²	130.3	78%	0.783	68%	0.681	S	S	*	*			trans	-58.8	111.1	170.4	-170.9	179.5	-175.6	-175.5	0	106.3	S77	K75-S77 VanDerWaalsContact C-N 3.33Å; K75-S77 PolarHBondContact O-N 3Å
76	C	48.8	Very low	57.6	Low	122 Å²	122	131.9 Å²	131.9	82%	0.824	68%	0.68	S	S	*	*			trans	-54	105.5	167.1	-96.5	0	0	0	0	106.4	P74 E78	P74-C76 PolarHBondContact O-N 2.81Å; C76-E78 PolarHBondContact O-N 3.43Å; C76-E78 VanDerWaalsContact O-N 3.16Å
77	S	47.7	Very low	57.8	Low	105 Å²	105	131 Å²	131	73%	0.734	66%	0.661	S	S	*	*			trans	-65.5	115.6	170.3	50.9	0	0	0	0	105.7	K75	K75-S77 VanDerWaalsContact C-N 3.33Å; K75-S77 PolarHBondContact O-N 3Å
78	E	40.1	Very low	58.2	Low	170 Å²	170	129.5 Å²	129.5	79%	0.794	65%	0.646	S	S	*	*			trans	-49.8	133.3	165.2	-85.6	-179.6	151.7	0	0	108	C76 R80	C76-E78 PolarHBondContact O-N 3.43Å; C76-E78 VanDerWaalsContact O-N 3.16Å; E78-R80 PolarHBondContact O-N 2.82Å
79	P	46.2	Very low	59.2	Low	118 Å²	118	129.2 Å²	129.2	77%	0.766	65%	0.647	S	S	*	*			trans	-52.3	130.9	171.7	22.4	-31.2	0	0	0	107.5	R81	P79-R81 PolarHBondContact O-N 2.82Å
80	R	49.6	Very low	60.3	Low	220 Å²	220	131.5 Å²	131.5	83%	0.83	65%	0.654	S	S	*	*			trans	-53.7	112.3	-178.3	-74.5	-174.4	178.5	-172.5	2.4	108.3	E78 L82	E78-R80 PolarHBondContact O-N 2.82Å; R80-L82 PolarHBondContact O-N 3.36Å
81	R	54.6	Low	61.3	Low	172 Å²	172	125 Å²	125	65%	0.649	63%	0.633	S	S	*	*			trans	-52.2	127.4	168.9	178.7	-178.4	174.5	-128.6	-0.1	107.5	P79 K83 S84 D87	P79-R81 PolarHBondContact O-N 2.82Å; R81-K83 PolarHBondContact O-N 2.72Å; R81-S84 PolarHBondContact NH2-OG 2.75Å; R81-D87 IonicContact CZ-OD2 2.62Å; R81-D87 IonicContact NH1-OD1 3.53Å; R81-D87 PolarHBondContact NH1-OD1 3.44Å; R81-D87 VanDerWaalsContact NH1-OD1 3.13Å; R81-D87 IonicContact NH1-OD2 2.73Å; R81-D87 PolarHBondContact NH1-OD2 3.46Å
82	L	57	Low	62.5	Low	161 Å²	161	126.3 Å²	126.3	84%	0.843	63%	0.628	S	S	*	*			trans	-53.6	127.4	169.5	-74.2	158.9	0	0	0	107.8	R80 S84	R80-L82 PolarHBondContact O-N 3.36Å; L82-S84 PolarHBondContact O-N 3.06Å
83	K	63.1	Low	63.9	Low	154 Å²	154	122.3 Å²	122.3	67%	0.67	61%	0.613	S	S	*	*			trans	-55.9	115.2	179	-73.5	-175.7	179.3	-179.5	0	108.6	R81 D87	R81-K83 PolarHBondContact O-N 2.72Å; K83-D87 HydrophobicContact CB-CB 4.17Å; K83-D87 HydrophobicContact CG-CB 4.33Å
84	S	73.4	Confident	65	Low	28 Å²	28	118.9 Å²	118.9	20%	0.196	60%	0.6	C	S	.	*			trans	-72.1	162.3	169.9	63.2	0	0	0	0	109.8	R81 L82 W86 D87 N88	R81-S84 PolarHBondContact NH2-OG 2.75Å; L82-S84 PolarHBondContact O-N 3.06Å; S84-W86 PolarHBondContact O-N 3.13Å; S84-W86 VanDerWaalsContact O-N 3.12Å; S84-D87 WeakPolarHBondContact CB-OD2 3.46Å; S84-D87 PolarHBondContact N-OD2 3.49Å; S84-D87 WeakPolarHBondContact O-CB 3.43Å; S84-D87 PolarHBondContact O-N 3.05Å; S84-D87 VanDerWaalsContact OG-CG 3.29Å; S84-D87 PolarHBondContact OG-N 2.73Å; S84-D87 PolarHBondContact OG-OD2 3.45Å; S84-N88 PolarHBondContact O-N 3.2Å
85	Y	76.3	Confident	66.5	Low	171 Å²	171	121.3 Å²	121.3	67%	0.671	59%	0.594	S	S	*	*	H	α-helix	trans	-46.3	-40.7	170	170.7	-97.6	0	0	0	112.2	D87 N88 F89	Y85-D87 PolarHBondContact O-N 2.71Å; Y85-N88 PolarHBondContact O-N 3.26Å; Y85-F89 PolarHBondContact O-N 3.12Å
86	W	75.9	Confident	68	Low	163 Å²	163	117.3 Å²	117.3	62%	0.617	58%	0.579	S	S	*	*	H	α-helix	trans	-66.2	-31.4	177.8	-64.9	111.6	0	0	0	114	S84 N88 F89 I90	S84-W86 PolarHBondContact O-N 3.13Å; S84-W86 VanDerWaalsContact O-N 3.12Å; W86-N88 VanDerWaalsContact C-N 3.35Å; W86-F89 HydrophobicContact CE3-CD1 4.2Å; W86-F89 HydrophobicContact CZ3-CD1 4.35Å; W86-F89 PolarHBondContact O-N 2.76Å; W86-I90 WeakPolarHBondContact O-CB 3.44Å; W86-I90 WeakPolarHBondContact O-CD1 3.14Å; W86-I90 WeakPolarHBondContact O-CG1 3Å; W86-I90 PolarHBondContact O-N 3.2Å
87	D	76.3	Confident	69.6	Low	48 Å²	48	115.1 Å²	115.1	26%	0.257	57%	0.565	S	S	.	*	H	α-helix	trans	-71.4	-34.5	176.4	-57.9	-51.1	0	0	0	111	R81 K83 S84 Y85 A91	R81-D87 IonicContact CZ-OD2 2.62Å; R81-D87 IonicContact NH1-OD1 3.53Å; R81-D87 PolarHBondContact NH1-OD1 3.44Å; R81-D87 VanDerWaalsContact NH1-OD1 3.13Å; R81-D87 IonicContact NH1-OD2 2.73Å; R81-D87 PolarHBondContact NH1-OD2 3.46Å; K83-D87 HydrophobicContact CB-CB 4.17Å; K83-D87 HydrophobicContact CG-CB 4.33Å; S84-D87 WeakPolarHBondContact CB-OD2 3.46Å; S84-D87 PolarHBondContact N-OD2 3.49Å; S84-D87 WeakPolarHBondContact O-CB 3.43Å; S84-D87 PolarHBondContact O-N 3.05Å; S84-D87 VanDerWaalsContact OG-CG 3.29Å; S84-D87 PolarHBondContact OG-N 2.73Å; S84-D87 PolarHBondContact OG-OD2 3.45Å; Y85-D87 PolarHBondContact O-N 2.71Å; D87-A91 VanDerWaalsContact O-CB 3.27Å; D87-A91 WeakPolarHBondContact O-CB 3.13Å; D87-A91 PolarHBondContact O-N 3.33Å
88	N	77.5	Confident	71.3	Confident	69 Å²	69	116.5 Å²	116.5	37%	0.369	56%	0.558	S	S	.	*	H	α-helix	trans	-69.7	-44.5	172.6	-68.4	-23.6	0	0	0	111.2	S84 Y85 W86 I90 A91 E92	S84-N88 PolarHBondContact O-N 3.2Å; Y85-N88 PolarHBondContact O-N 3.26Å; W86-N88 VanDerWaalsContact C-N 3.35Å; N88-I90 PolarHBondContact O-N 3.29Å; N88-A91 WeakPolarHBondContact O-CB 3.24Å; N88-A91 PolarHBondContact O-N 2.65Å; N88-E92 PolarHBondContact O-N 3.14Å
89	F	80.4	Confident	73.4	Confident	100 Å²	100	112.3 Å²	112.3	44%	0.439	54%	0.541	S	S	.	.	H	α-helix	trans	-59.8	-44.6	175.2	177.9	-98.5	0	0	0	111.9	Y85 W86 A91 E92 A93	Y85-F89 PolarHBondContact O-N 3.12Å; W86-F89 HydrophobicContact CE3-CD1 4.2Å; W86-F89 HydrophobicContact CZ3-CD1 4.35Å; W86-F89 PolarHBondContact O-N 2.76Å; F89-A91 VanDerWaalsContact C-N 3.33Å; F89-A91 PolarHBondContact O-N 3.48Å; F89-E92 PolarHBondContact O-N 2.98Å; F89-A93 VanDerWaalsContact O-CB 3.3Å; F89-A93 WeakPolarHBondContact O-CB 3.48Å; F89-A93 PolarHBondContact O-N 3.07Å
90	I	78.4	Confident	75.2	Confident	104 Å²	104	111.8 Å²	111.8	53%	0.533	53%	0.527	S	S	.	.	H	α-helix	trans	-65.1	-39.7	176.1	-70.1	167.1	0	0	0	110.3	W86 N88 A93 C94	W86-I90 WeakPolarHBondContact O-CB 3.44Å; W86-I90 WeakPolarHBondContact O-CD1 3.14Å; W86-I90 WeakPolarHBondContact O-CG1 3Å; W86-I90 PolarHBondContact O-N 3.2Å; N88-I90 PolarHBondContact O-N 3.29Å; I90-A93 PolarHBondContact O-N 2.86Å; I90-C94 WeakPolarHBondContact O-CB 3.48Å; I90-C94 PolarHBondContact O-N 3.38Å
91	A	77.5	Confident	76.8	Confident	52 Å²	52	103.2 Å²	103.2	43%	0.43	50%	0.503	S	S	.	.	H	α-helix	trans	-62.6	-44.1	176.1	0	0	0	0	0	112	D87 N88 F89 C94 W95	D87-A91 VanDerWaalsContact O-CB 3.27Å; D87-A91 WeakPolarHBondContact O-CB 3.13Å; D87-A91 PolarHBondContact O-N 3.33Å; N88-A91 WeakPolarHBondContact O-CB 3.24Å; N88-A91 PolarHBondContact O-N 2.65Å; F89-A91 VanDerWaalsContact C-N 3.33Å; F89-A91 PolarHBondContact O-N 3.48Å; A91-C94 PolarHBondContact O-N 3Å; A91-W95 VanDerWaalsContact O-CB 3.31Å; A91-W95 WeakPolarHBondContact O-CB 3.27Å; A91-W95 PolarHBondContact O-N 3.43Å
92	E	80.4	Confident	78.2	Confident	128 Å²	128	101 Å²	101	60%	0.598	50%	0.5	S	S	*	.	H	α-helix	trans	-63.8	-46.9	173.5	-85.8	-172.8	155.9	0	0	112	N88 F89 C94 W95 M96	N88-E92 PolarHBondContact O-N 3.14Å; F89-E92 PolarHBondContact O-N 2.98Å; E92-C94 VanDerWaalsContact C-N 3.26Å; E92-C94 PolarHBondContact O-N 3.31Å; E92-W95 CarbonylContact O-C 3.6Å; E92-W95 WeakPolarHBondContact O-CB 3.15Å; E92-W95 PolarHBondContact O-N 3.1Å; E92-W95 VanDerWaalsContact O-N 3.14Å; E92-M96 WeakPolarHBondContact O-CB 3.16Å; E92-M96 WeakPolarHBondContact O-CG 3.2Å; E92-M96 PolarHBondContact O-N 3.27Å
93	A	82.5	Confident	79.4	Confident	45 Å²	45	96.9 Å²	96.9	37%	0.372	48%	0.477	S	S	.	.	H	α-helix	trans	-61.2	-37.5	177.3	0	0	0	0	0	111.7	F89 I90 S97	F89-A93 VanDerWaalsContact O-CB 3.3Å; F89-A93 WeakPolarHBondContact O-CB 3.48Å; F89-A93 PolarHBondContact O-N 3.07Å; I90-A93 PolarHBondContact O-N 2.86Å; A93-S97 VanDerWaalsContact O-CB 3.22Å; A93-S97 WeakPolarHBondContact O-CB 3.28Å; A93-S97 PolarHBondContact O-N 2.7Å
94	C	79.8	Confident	80.4	Confident	67 Å²	67	97.6 Å²	97.6	45%	0.453	48%	0.475	S	S	.	.	H	α-helix	trans	-72.2	-35.9	176.9	-151.4	0	0	0	0	111.4	I90 A91 E92 K98	I90-C94 WeakPolarHBondContact O-CB 3.48Å; I90-C94 PolarHBondContact O-N 3.38Å; A91-C94 PolarHBondContact O-N 3Å; E92-C94 VanDerWaalsContact C-N 3.26Å; E92-C94 PolarHBondContact O-N 3.31Å; C94-K98 WeakPolarHBondContact O-CG 3.45Å; C94-K98 PolarHBondContact O-N 3.36Å
95	W	80.8	Confident	81	Confident	171 Å²	171	103.2 Å²	103.2	65%	0.648	50%	0.496	S	S	*	.	H	α-helix	trans	-65	-48.9	171.5	-177.5	83	0	0	0	111.5	A91 E92 S97 K98 D99	A91-W95 VanDerWaalsContact O-CB 3.31Å; A91-W95 WeakPolarHBondContact O-CB 3.27Å; A91-W95 PolarHBondContact O-N 3.43Å; E92-W95 CarbonylContact O-C 3.6Å; E92-W95 WeakPolarHBondContact O-CB 3.15Å; E92-W95 PolarHBondContact O-N 3.1Å; E92-W95 VanDerWaalsContact O-N 3.14Å; W95-S97 VanDerWaalsContact C-N 3.32Å; W95-S97 PolarHBondContact O-N 3.16Å; W95-K98 WeakPolarHBondContact O-CB 3.08Å; W95-K98 PolarHBondContact O-N 3.27Å; W95-K98 VanDerWaalsContact O-N 3.13Å; W95-D99 PolarHBondContact O-N 2.93Å
96	M	81.7	Confident	81.1	Confident	96 Å²	96	100.4 Å²	100.4	47%	0.473	49%	0.492	S	S	.	.	H	α-helix	trans	-59.5	-40.8	174.1	-71.9	-178.3	70.4	0	0	111.9	E92 K98 D99 F100	E92-M96 WeakPolarHBondContact O-CB 3.16Å; E92-M96 WeakPolarHBondContact O-CG 3.2Å; E92-M96 PolarHBondContact O-N 3.27Å; M96-K98 VanDerWaalsContact C-N 3.33Å; M96-K98 PolarHBondContact O-N 3.21Å; M96-D99 PolarHBondContact O-N 3.46Å; M96-F100 HydrophobicContact CE-CE2 4.08Å; M96-F100 WeakPolarHBondContact O-CB 3.01Å; M96-F100 WeakPolarHBondContact O-CD2 3.25Å; M96-F100 PolarHBondContact O-N 2.75Å
97	S	83.5	Confident	81.6	Confident	75 Å²	75	98.4 Å²	98.4	52%	0.524	49%	0.488	S	S	.	.	H	α-helix	trans	-59.2	-43.5	175.1	170.7	0	0	0	0	112.1	A93 W95 A101	A93-S97 VanDerWaalsContact O-CB 3.22Å; A93-S97 WeakPolarHBondContact O-CB 3.28Å; A93-S97 PolarHBondContact O-N 2.7Å; W95-S97 VanDerWaalsContact C-N 3.32Å; W95-S97 PolarHBondContact O-N 3.16Å; S97-A101 WeakPolarHBondContact O-CB 3.38Å; S97-A101 PolarHBondContact O-N 3.44Å
98	K	82.5	Confident	82.1	Confident	135 Å²	135	103.5 Å²	103.5	59%	0.587	51%	0.507	S	S	*	.	H	α-helix	trans	-65.4	-44.5	174.9	-73.4	174.5	-177.2	177.6	0	111.3	C94 W95 M96 A101 E102	C94-K98 WeakPolarHBondContact O-CG 3.45Å; C94-K98 PolarHBondContact O-N 3.36Å; W95-K98 WeakPolarHBondContact O-CB 3.08Å; W95-K98 PolarHBondContact O-N 3.27Å; W95-K98 VanDerWaalsContact O-N 3.13Å; M96-K98 VanDerWaalsContact C-N 3.33Å; M96-K98 PolarHBondContact O-N 3.21Å; K98-A101 WeakPolarHBondContact O-CB 3.37Å; K98-A101 PolarHBondContact O-N 3.35Å; K98-A101 VanDerWaalsContact O-N 3.14Å; K98-E102 WeakPolarHBondContact O-CG 3.38Å; K98-E102 PolarHBondContact O-N 2.95Å
99	D	84.6	Confident	82.4	Confident	81 Å²	81	106.4 Å²	106.4	43%	0.433	52%	0.517	S	S	.	.	H	α-helix	trans	-61.7	-46.6	178.2	-165.8	51.1	0	0	0	111.5	W95 M96 A101 E102 E103	W95-D99 PolarHBondContact O-N 2.93Å; M96-D99 PolarHBondContact O-N 3.46Å; D99-A101 VanDerWaalsContact C-N 3.31Å; D99-A101 PolarHBondContact O-N 3.2Å; D99-E102 PolarHBondContact O-N 3.08Å; D99-E103 WeakPolarHBondContact O-CB 3.5Å; D99-E103 PolarHBondContact O-N 3.37Å
100	F	83.3	Confident	82.6	Confident	107 Å²	107	104.9 Å²	104.9	47%	0.469	52%	0.516	S	S	.	.	H	α-helix	trans	-61.7	-35.5	173	-85.6	-66.3	0	0	0	113.1	M96 R104	M96-F100 HydrophobicContact CE-CE2 4.08Å; M96-F100 WeakPolarHBondContact O-CB 3.01Å; M96-F100 WeakPolarHBondContact O-CD2 3.25Å; M96-F100 PolarHBondContact O-N 2.75Å; F100-R104 WeakPolarHBondContact O-CB 3.37Å; F100-R104 WeakPolarHBondContact O-CG 3.33Å; F100-R104 PolarHBondContact O-N 3.24Å
101	A	84.1	Confident	83	Confident	40 Å²	40	101.8 Å²	101.8	33%	0.331	51%	0.51	S	S	.	.	H	α-helix	trans	-69	-41.6	176.4	0	0	0	0	0	111.7	S97 K98 D99 K105	S97-A101 WeakPolarHBondContact O-CB 3.38Å; S97-A101 PolarHBondContact O-N 3.44Å; K98-A101 WeakPolarHBondContact O-CB 3.37Å; K98-A101 PolarHBondContact O-N 3.35Å; K98-A101 VanDerWaalsContact O-N 3.14Å; D99-A101 VanDerWaalsContact C-N 3.31Å; D99-A101 PolarHBondContact O-N 3.2Å; A101-K105 VanDerWaalsContact O-CG 3.32Å; A101-K105 WeakPolarHBondContact O-CG 3.38Å; A101-K105 PolarHBondContact O-N 2.89Å
102	E	82.5	Confident	83.5	Confident	125 Å²	125	107 Å²	107	58%	0.584	52%	0.522	S	S	*	.	H	α-helix	trans	-66.6	-44	174.4	-72.7	-175.4	-178.4	0	0	111.4	K98 D99 R104 K105 L106	K98-E102 WeakPolarHBondContact O-CG 3.38Å; K98-E102 PolarHBondContact O-N 2.95Å; D99-E102 PolarHBondContact O-N 3.08Å; E102-R104 PolarHBondContact O-N 3.03Å; E102-K105 WeakPolarHBondContact O-CB 3.19Å; E102-K105 PolarHBondContact O-N 3.46Å; E102-K105 VanDerWaalsContact O-N 3.11Å; E102-L106 WeakPolarHBondContact O-CB 3.37Å; E102-L106 PolarHBondContact O-N 3.47Å
103	E	83.8	Confident	83.6	Confident	76 Å²	76	107.8 Å²	107.8	36%	0.355	52%	0.524	S	S	.	.	H	α-helix	trans	-63.4	-39.8	176.4	-155.7	-155.7	-176.2	0	0	111.5	D99 L106 K107	D99-E103 WeakPolarHBondContact O-CB 3.5Å; D99-E103 PolarHBondContact O-N 3.37Å; E103-L106 PolarHBondContact O-N 3.31Å; E103-K107 HydrophobicContact CG-CD 4.45Å; E103-K107 WeakPolarHBondContact O-CB 3.23Å; E103-K107 WeakPolarHBondContact O-CG 3.14Å; E103-K107 PolarHBondContact O-N 2.8Å; E103-K107 WeakPolarHBondContact OE1-CE 3.31Å; E103-K107 IonicContact OE1-NZ 3.15Å; E103-K107 PolarHBondContact OE1-NZ 3.2Å; E103-K107 IonicContact OE2-NZ 3.94Å; E103-K107 PolarHBondContact OE2-NZ 3.09Å
104	R	84.2	Confident	83.7	Confident	169 Å²	169	111.8 Å²	111.8	64%	0.638	54%	0.537	S	S	*	.	H	α-helix	trans	-63	-40.8	171.5	-84.2	-175.2	-156.6	149.3	7.2	112.3	F100 E102 L106 K108	F100-R104 WeakPolarHBondContact O-CB 3.37Å; F100-R104 WeakPolarHBondContact O-CG 3.33Å; F100-R104 PolarHBondContact O-N 3.24Å; E102-R104 PolarHBondContact O-N 3.03Å; R104-L106 VanDerWaalsContact C-N 3.33Å; R104-K108 WeakPolarHBondContact O-CB 3.49Å; R104-K108 WeakPolarHBondContact O-CG 3.49Å; R104-K108 PolarHBondContact O-N 3.19Å
105	K	84.8	Confident	84	Confident	146 Å²	146	111.2 Å²	111.2	64%	0.635	54%	0.537	S	S	*	.	H	α-helix	trans	-63	-43.6	175.5	-75.3	171.9	-176.1	174.6	0	110.1	A101 E102 K108 F109	A101-K105 VanDerWaalsContact O-CG 3.32Å; A101-K105 WeakPolarHBondContact O-CG 3.38Å; A101-K105 PolarHBondContact O-N 2.89Å; E102-K105 WeakPolarHBondContact O-CB 3.19Å; E102-K105 PolarHBondContact O-N 3.46Å; E102-K105 VanDerWaalsContact O-N 3.11Å; K105-K108 PolarHBondContact O-N 3.38Å; K105-F109 WeakPolarHBondContact O-CB 3.07Å; K105-F109 PolarHBondContact O-N 3.28Å
106	L	78.7	Confident	84.2	Confident	112 Å²	112	106 Å²	106	59%	0.586	53%	0.529	S	S	*	.	H	α-helix	trans	-62.6	-49.2	177.2	-159.6	104.7	0	0	0	111.4	E102 E103 R104 K108 F109 V110	E102-L106 WeakPolarHBondContact O-CB 3.37Å; E102-L106 PolarHBondContact O-N 3.47Å; E103-L106 PolarHBondContact O-N 3.31Å; R104-L106 VanDerWaalsContact C-N 3.33Å; L106-K108 PolarHBondContact O-N 2.99Å; L106-F109 WeakPolarHBondContact O-CB 3.1Å; L106-F109 PolarHBondContact O-N 3.08Å; L106-F109 VanDerWaalsContact O-N 3.12Å; L106-V110 WeakPolarHBondContact O-CB 3.3Å; L106-V110 WeakPolarHBondContact O-CG2 3.1Å; L106-V110 PolarHBondContact O-N 2.65Å
107	K	86.3	Confident	84.2	Confident	121 Å²	121	104.1 Å²	104.1	53%	0.526	53%	0.529	S	S	.	.	H	α-helix	trans	-60.6	-42.1	176.4	-75.3	172.2	178.9	161.5	0	111.9	E103 G111	E103-K107 HydrophobicContact CG-CD 4.45Å; E103-K107 WeakPolarHBondContact O-CB 3.23Å; E103-K107 WeakPolarHBondContact O-CG 3.14Å; E103-K107 PolarHBondContact O-N 2.8Å; E103-K107 WeakPolarHBondContact OE1-CE 3.31Å; E103-K107 IonicContact OE1-NZ 3.15Å; E103-K107 PolarHBondContact OE1-NZ 3.2Å; E103-K107 IonicContact OE2-NZ 3.94Å; E103-K107 PolarHBondContact OE2-NZ 3.09Å; K107-G111 PolarHBondContact O-N 2.75Å
108	K	86.3	Confident	84.3	Confident	155 Å²	155	104.5 Å²	104.5	67%	0.674	53%	0.531	S	S	*	.	H	α-helix	trans	-63.4	-40.7	173	-80	-178.5	177.6	179.1	0	112	R104 K105 L106 K112	R104-K108 WeakPolarHBondContact O-CB 3.49Å; R104-K108 WeakPolarHBondContact O-CG 3.49Å; R104-K108 PolarHBondContact O-N 3.19Å; K105-K108 PolarHBondContact O-N 3.38Å; L106-K108 PolarHBondContact O-N 2.99Å; K108-K112 WeakPolarHBondContact O-CB 3.17Å; K108-K112 WeakPolarHBondContact O-CG 3.36Å; K108-K112 PolarHBondContact O-N 2.88Å
109	F	84.2	Confident	84.3	Confident	129 Å²	129	100.9 Å²	100.9	57%	0.566	52%	0.523	S	S	*	.	H	α-helix	trans	-66.8	-47.8	177.8	-179.9	-100.1	0	0	0	111.8	K105 L106 G111 K112 K113	K105-F109 WeakPolarHBondContact O-CB 3.07Å; K105-F109 PolarHBondContact O-N 3.28Å; L106-F109 WeakPolarHBondContact O-CB 3.1Å; L106-F109 PolarHBondContact O-N 3.08Å; L106-F109 VanDerWaalsContact O-N 3.12Å; F109-G111 PolarHBondContact O-N 3.46Å; F109-K112 PolarHBondContact O-N 2.88Å; F109-K113 HydrophobicContact CE1-CD 4.34Å; F109-K113 WeakPolarHBondContact O-CB 3.02Å; F109-K113 PolarHBondContact O-N 2.69Å
110	V	84.7	Confident	84.2	Confident	69 Å²	69	103.2 Å²	103.2	42%	0.418	53%	0.529	S	S	.	.	H	α-helix	trans	-60.6	-45.3	175.3	173.3	0	0	0	0	110.6	L106 K112 K113 M114	L106-V110 WeakPolarHBondContact O-CB 3.3Å; L106-V110 WeakPolarHBondContact O-CG2 3.1Å; L106-V110 PolarHBondContact O-N 2.65Å; V110-K112 PolarHBondContact O-N 3.42Å; V110-K113 WeakPolarHBondContact O-CB 3.28Å; V110-K113 PolarHBondContact O-N 2.89Å; V110-K113 VanDerWaalsContact O-N 3.13Å; V110-M114 HydrophobicContact CG1-CG 4.39Å; V110-M114 HydrophobicContact CG1-SD 4.37Å; V110-M114 WeakPolarHBondContact O-CG 3.46Å; V110-M114 PolarHBondContact O-N 3.27Å
111	G	87.5	Confident	84.2	Confident	39 Å²	39	100.7 Å²	100.7	40%	0.402	53%	0.528	S	S	.	.	H	α-helix	trans	-58.9	-45.3	175.2	0	0	0	0	0	112.9	K107 F109 K113 M114 A115	K107-G111 PolarHBondContact O-N 2.75Å; F109-G111 PolarHBondContact O-N 3.46Å; G111-K113 VanDerWaalsContact C-N 3.34Å; G111-K113 PolarHBondContact O-N 3.46Å; G111-M114 PolarHBondContact O-N 3.2Å; G111-A115 WeakPolarHBondContact O-CB 3.35Å; G111-A115 PolarHBondContact O-N 3.48Å
112	K	86.8	Confident	84.1	Confident	161 Å²	161	103.7 Å²	103.7	70%	0.7	54%	0.542	S	S	*	.	H	α-helix	trans	-61.5	-41	173	-79.5	-177.9	178.4	-177.8	0	112	K108 F109 V110 A115 A116	K108-K112 WeakPolarHBondContact O-CB 3.17Å; K108-K112 WeakPolarHBondContact O-CG 3.36Å; K108-K112 PolarHBondContact O-N 2.88Å; F109-K112 PolarHBondContact O-N 2.88Å; V110-K112 PolarHBondContact O-N 3.42Å; K112-A115 PolarHBondContact O-N 2.74Å; K112-A116 VanDerWaalsContact O-CB 3.28Å; K112-A116 WeakPolarHBondContact O-CB 3.1Å; K112-A116 PolarHBondContact O-N 3.15Å
113	K	83.2	Confident	83.9	Confident	144 Å²	144	105.6 Å²	105.6	63%	0.626	54%	0.544	S	S	*	.	H	α-helix	trans	-66.6	-40.7	179	-154.8	-179.9	-176.7	-178.5	0	111.5	F109 V110 G111 A117	F109-K113 HydrophobicContact CE1-CD 4.34Å; F109-K113 WeakPolarHBondContact O-CB 3.02Å; F109-K113 PolarHBondContact O-N 2.69Å; V110-K113 WeakPolarHBondContact O-CB 3.28Å; V110-K113 PolarHBondContact O-N 2.89Å; V110-K113 VanDerWaalsContact O-N 3.13Å; G111-K113 VanDerWaalsContact C-N 3.34Å; G111-K113 PolarHBondContact O-N 3.46Å; K113-A117 VanDerWaalsContact O-CB 3.31Å; K113-A117 WeakPolarHBondContact O-CB 3.28Å; K113-A117 PolarHBondContact O-N 3.43Å
114	M	83.8	Confident	83.6	Confident	130 Å²	130	104.2 Å²	104.2	64%	0.64	54%	0.539	S	S	*	.	H	α-helix	trans	-67.6	-43.8	174.4	-71	-169.1	112.2	0	0	112.1	V110 G111 A116 A117 C118	V110-M114 HydrophobicContact CG1-CG 4.39Å; V110-M114 HydrophobicContact CG1-SD 4.37Å; V110-M114 WeakPolarHBondContact O-CG 3.46Å; V110-M114 PolarHBondContact O-N 3.27Å; G111-M114 PolarHBondContact O-N 3.2Å; M114-A116 VanDerWaalsContact C-N 3.34Å; M114-A116 PolarHBondContact O-N 3.42Å; M114-A117 PolarHBondContact O-N 2.89Å; M114-C118 PolarHBondContact O-N 3.3Å
115	A	86.6	Confident	83.3	Confident	55 Å²	55	104.5 Å²	104.5	46%	0.455	55%	0.545	S	S	.	.	H	α-helix	trans	-62.1	-40.4	175.3	0	0	0	0	0	112.2	G111 K112 S119	G111-A115 WeakPolarHBondContact O-CB 3.35Å; G111-A115 PolarHBondContact O-N 3.48Å; K112-A115 PolarHBondContact O-N 2.74Å; A115-S119 VanDerWaalsContact O-CB 3.31Å; A115-S119 WeakPolarHBondContact O-CB 3.12Å; A115-S119 PolarHBondContact O-N 3.37Å; A115-S119 PolarHBondContact O-OG 3.28Å
116	A	84.3	Confident	83	Confident	60 Å²	60	101.3 Å²	101.3	50%	0.496	54%	0.541	S	S	.	.	H	α-helix	trans	-65.7	-39.9	173.1	0	0	0	0	0	111.9	K112 M114 K120	K112-A116 VanDerWaalsContact O-CB 3.28Å; K112-A116 WeakPolarHBondContact O-CB 3.1Å; K112-A116 PolarHBondContact O-N 3.15Å; M114-A116 VanDerWaalsContact C-N 3.34Å; M114-A116 PolarHBondContact O-N 3.42Å; A116-K120 VanDerWaalsContact O-CB 3.22Å; A116-K120 WeakPolarHBondContact O-CB 3.06Å; A116-K120 PolarHBondContact O-N 3.18Å
117	A	83	Confident	82.8	Confident	57 Å²	57	98.9 Å²	98.9	47%	0.471	53%	0.529	S	S	.	.	H	α-helix	trans	-65.6	-44.1	175.6	0	0	0	0	0	112.3	K113 M114 K120 A121	K113-A117 VanDerWaalsContact O-CB 3.31Å; K113-A117 WeakPolarHBondContact O-CB 3.28Å; K113-A117 PolarHBondContact O-N 3.43Å; M114-A117 PolarHBondContact O-N 2.89Å; A117-K120 PolarHBondContact O-N 3.16Å; A117-A121 WeakPolarHBondContact O-CB 3.33Å; A117-A121 PolarHBondContact O-N 2.97Å
118	C	84.8	Confident	82.2	Confident	84 Å²	84	101.3 Å²	101.3	57%	0.568	54%	0.535	S	S	*	.	H	α-helix	trans	-63	-46	173.9	-78.1	0	0	0	0	111.6	M114 K120 A121 V122	M114-C118 PolarHBondContact O-N 3.3Å; C118-K120 VanDerWaalsContact C-N 3.29Å; C118-K120 PolarHBondContact O-N 3.22Å; C118-A121 PolarHBondContact O-N 2.86Å; C118-A121 VanDerWaalsContact O-N 3.16Å; C118-V122 WeakPolarHBondContact O-CG2 3.34Å; C118-V122 PolarHBondContact O-N 2.86Å
119	S	82.1	Confident	81.9	Confident	59 Å²	59	98.2 Å²	98.2	41%	0.413	53%	0.53	S	S	.	.	H	α-helix	trans	-60.5	-39.7	176	-62.2	0	0	0	0	111.9	A115 R123	A115-S119 VanDerWaalsContact O-CB 3.31Å; A115-S119 WeakPolarHBondContact O-CB 3.12Å; A115-S119 PolarHBondContact O-N 3.37Å; A115-S119 PolarHBondContact O-OG 3.28Å; S119-R123 WeakPolarHBondContact O-CG 3.35Å; S119-R123 PolarHBondContact O-N 3.19Å; S119-R123 VanDerWaalsContact O-N 3.07Å
120	K	84.1	Confident	81.6	Confident	130 Å²	130	100.6 Å²	100.6	57%	0.565	54%	0.535	S	S	*	.	H	α-helix	trans	-67.6	-41	174.2	-173.8	178.9	178.5	-178.3	0	111.6	A116 A117 C118 R123 D124	A116-K120 VanDerWaalsContact O-CB 3.22Å; A116-K120 WeakPolarHBondContact O-CB 3.06Å; A116-K120 PolarHBondContact O-N 3.18Å; A117-K120 PolarHBondContact O-N 3.16Å; C118-K120 VanDerWaalsContact C-N 3.29Å; C118-K120 PolarHBondContact O-N 3.22Å; K120-R123 PolarHBondContact O-N 2.91Å; K120-D124 WeakPolarHBondContact O-CB 3.33Å; K120-D124 PolarHBondContact O-N 2.97Å
121	A	82	Confident	81	Confident	54 Å²	54	102.6 Å²	102.6	45%	0.446	54%	0.535	S	S	.	.	H	α-helix	trans	-65.7	-38.2	178.2	0	0	0	0	0	112.5	A117 C118 D124 K125	A117-A121 WeakPolarHBondContact O-CB 3.33Å; A117-A121 PolarHBondContact O-N 2.97Å; C118-A121 PolarHBondContact O-N 2.86Å; C118-A121 VanDerWaalsContact O-N 3.16Å; A121-D124 PolarHBondContact O-N 3.02Å; A121-K125 PolarHBondContact O-N 3.31Å
122	V	82.7	Confident	80.6	Confident	103 Å²	103	105 Å²	105	62%	0.624	54%	0.539	S	S	*	.	H	α-helix	trans	-66.3	-46.4	173.9	174.8	0	0	0	0	110.7	C118 D124 K125 S126	C118-V122 WeakPolarHBondContact O-CG2 3.34Å; C118-V122 PolarHBondContact O-N 2.86Å; V122-D124 VanDerWaalsContact C-N 3.35Å; V122-D124 PolarHBondContact O-N 3.41Å; V122-K125 PolarHBondContact O-N 3.4Å; V122-S126 PolarHBondContact O-N 3.36Å; V122-S126 VanDerWaalsContact O-N 3.1Å; V122-S126 PolarHBondContact O-OG 3.05Å
123	R	77.9	Confident	80.4	Confident	165 Å²	165	100.8 Å²	100.8	62%	0.623	53%	0.529	S	S	*	.	H	α-helix	trans	-62.1	-40.6	173.8	-74	-177.2	-144.4	165.4	5.7	112.4	S119 K120 K125 S126 D127	S119-R123 WeakPolarHBondContact O-CG 3.35Å; S119-R123 PolarHBondContact O-N 3.19Å; S119-R123 VanDerWaalsContact O-N 3.07Å; K120-R123 PolarHBondContact O-N 2.91Å; R123-K125 VanDerWaalsContact C-N 3.31Å; R123-K125 PolarHBondContact O-N 3.46Å; R123-S126 WeakPolarHBondContact CA-OG 3.36Å; R123-S126 PolarHBondContact O-N 2.92Å; R123-S126 PolarHBondContact O-OG 3.02Å; R123-D127 VanDerWaalsContact O-CB 3.3Å; R123-D127 WeakPolarHBondContact O-CB 3.29Å; R123-D127 PolarHBondContact O-N 3.45Å
124	D	77.2	Confident	80.2	Confident	46 Å²	46	98.2 Å²	98.2	25%	0.246	52%	0.521	C	S	.	.	H	α-helix	trans	-66.6	-33.2	179.1	-79.4	13.8	0	0	0	111.4	K120 A121 V122 R128 R131	K120-D124 WeakPolarHBondContact O-CB 3.33Å; K120-D124 PolarHBondContact O-N 2.97Å; A121-D124 PolarHBondContact O-N 3.02Å; V122-D124 VanDerWaalsContact C-N 3.35Å; V122-D124 PolarHBondContact O-N 3.41Å; D124-R128 WeakPolarHBondContact O-CA 3.34Å; D124-R128 WeakPolarHBondContact O-CB 3.28Å; D124-R128 PolarHBondContact O-N 3.04Å; D124-R131 IonicContact OD1-CZ 2.62Å; D124-R131 IonicContact OD1-NH1 2.78Å; D124-R131 PolarHBondContact OD1-NH1 2.68Å; D124-R131 IonicContact OD1-NH2 3.63Å; D124-R131 PolarHBondContact OD1-NH2 3.06Å; D124-R131 IonicContact OD2-CZ 3.06Å; D124-R131 IonicContact OD2-NH1 3.51Å; D124-R131 PolarHBondContact OD2-NH1 2.82Å; D124-R131 IonicContact OD2-NH2 3.1Å
125	K	78.3	Confident	79.8	Confident	175 Å²	175	97.5 Å²	97.5	76%	0.761	52%	0.516	S	S	*	.	H	α-helix	trans	-67.6	-45.6	171.7	-87	-176.7	176.3	179.9	0	112	A121 V122 R123 R128	A121-K125 PolarHBondContact O-N 3.31Å; V122-K125 PolarHBondContact O-N 3.4Å; R123-K125 VanDerWaalsContact C-N 3.31Å; R123-K125 PolarHBondContact O-N 3.46Å; K125-R128 WeakPolarHBondContact O-CB 3.13Å; K125-R128 PolarHBondContact O-N 3.11Å
126	S	77.8	Confident	79.4	Confident	80 Å²	80	103.5 Å²	103.5	56%	0.559	53%	0.527	S	S	*	.	H	α-helix	trans	-68.8	-35.5	178.1	58.1	0	0	0	0	112.7	V122 R123	V122-S126 PolarHBondContact O-N 3.36Å; V122-S126 VanDerWaalsContact O-N 3.1Å; V122-S126 PolarHBondContact O-OG 3.05Å; R123-S126 WeakPolarHBondContact CA-OG 3.36Å; R123-S126 PolarHBondContact O-N 2.92Å; R123-S126 PolarHBondContact O-OG 3.02Å
127	D	74.3	Confident	79.1	Confident	60 Å²	60	105.5 Å²	105.5	32%	0.321	53%	0.526	S	S	.	.	H	α-helix	trans	-86.4	-6.3	178.4	-81.3	-27.5	0	0	0	113.5	R123 R130 R131	R123-D127 VanDerWaalsContact O-CB 3.3Å; R123-D127 WeakPolarHBondContact O-CB 3.29Å; R123-D127 PolarHBondContact O-N 3.45Å; D127-R130 CarbonylContact O-C 3.52Å; D127-R130 WeakPolarHBondContact O-CA 3.42Å; D127-R130 WeakPolarHBondContact O-CB 3.41Å; D127-R130 PolarHBondContact O-N 3.17Å; D127-R131 HydrophobicContact CB-CG 4.47Å; D127-R131 PolarHBondContact O-N 3.4Å
128	R	75.1	Confident	78.8	Confident	173 Å²	173	109 Å²	109	65%	0.653	53%	0.531	S	S	*	.	H	α-helix	trans	-49.4	-48.1	-179.3	-162	174.8	-175.7	-179.8	1.2	113.5	D124 K125 R130 R131 L132	D124-R128 WeakPolarHBondContact O-CA 3.34Å; D124-R128 WeakPolarHBondContact O-CB 3.28Å; D124-R128 PolarHBondContact O-N 3.04Å; K125-R128 WeakPolarHBondContact O-CB 3.13Å; K125-R128 PolarHBondContact O-N 3.11Å; R128-R130 PolarHBondContact O-N 3.4Å; R128-R131 PolarHBondContact O-N 3.32Å; R128-L132 HydrophobicContact CG-CD1 4.19Å; R128-L132 WeakPolarHBondContact O-CB 3.36Å; R128-L132 WeakPolarHBondContact O-CG 3.16Å; R128-L132 PolarHBondContact O-N 3.48Å
129	P	78.7	Confident	78.4	Confident	89 Å²	89	111.1 Å²	111.1	58%	0.578	53%	0.532	S	S	*	.	H	α-helix	trans	-65.4	-37.7	176.7	23.6	-32.4	0	0	0	112.7	L132 C133	P129-L132 PolarHBondContact O-N 3.27Å; P129-C133 WeakPolarHBondContact O-CB 3.26Å; P129-C133 PolarHBondContact O-N 3.11Å
130	R	78	Confident	78.1	Confident	180 Å²	180	117.8 Å²	117.8	68%	0.679	55%	0.548	S	S	*	.	H	α-helix	trans	-65.3	-41.2	174.9	-101.9	-179.7	171.4	174.5	-1.7	112	D127 R128 C133 L134	D127-R130 CarbonylContact O-C 3.52Å; D127-R130 WeakPolarHBondContact O-CA 3.42Å; D127-R130 WeakPolarHBondContact O-CB 3.41Å; D127-R130 PolarHBondContact O-N 3.17Å; R128-R130 PolarHBondContact O-N 3.4Å; R130-C133 PolarHBondContact O-N 3.41Å; R130-L134 WeakPolarHBondContact O-CB 3.29Å; R130-L134 WeakPolarHBondContact O-CG 3.43Å; R130-L134 PolarHBondContact O-N 3.18Å
131	R	73.6	Confident	77.9	Confident	110 Å²	110	118.7 Å²	118.7	42%	0.415	55%	0.553	S	S	.	*	H	α-helix	trans	-66.6	-44	175.9	-76.2	-170.6	179.7	171.9	9.2	112	D124 D127 R128 C133 L134 E135	D124-R131 IonicContact OD1-CZ 2.62Å; D124-R131 IonicContact OD1-NH1 2.78Å; D124-R131 PolarHBondContact OD1-NH1 2.68Å; D124-R131 IonicContact OD1-NH2 3.63Å; D124-R131 PolarHBondContact OD1-NH2 3.06Å; D124-R131 IonicContact OD2-CZ 3.06Å; D124-R131 IonicContact OD2-NH1 3.51Å; D124-R131 PolarHBondContact OD2-NH1 2.82Å; D124-R131 IonicContact OD2-NH2 3.1Å; D127-R131 HydrophobicContact CB-CG 4.47Å; D127-R131 PolarHBondContact O-N 3.4Å; R128-R131 PolarHBondContact O-N 3.32Å; R131-C133 VanDerWaalsContact C-N 3.28Å; R131-C133 PolarHBondContact O-N 3.08Å; R131-L134 CarbonylContact O-C 3.52Å; R131-L134 PolarHBondContact O-N 3.38Å; R131-E135 VanDerWaalsContact O-CB 3.3Å; R131-E135 WeakPolarHBondContact O-CB 3.49Å; R131-E135 WeakPolarHBondContact O-CG 3.37Å; R131-E135 PolarHBondContact O-N 2.98Å
132	L	77.3	Confident	77.6	Confident	90 Å²	90	124.3 Å²	124.3	47%	0.471	56%	0.562	S	S	.	*	H	α-helix	trans	-61.4	-38	174.7	-74.2	167.1	0	0	0	111.5	R128 P129 R136	R128-L132 HydrophobicContact CG-CD1 4.19Å; R128-L132 WeakPolarHBondContact O-CB 3.36Å; R128-L132 WeakPolarHBondContact O-CG 3.16Å; R128-L132 PolarHBondContact O-N 3.48Å; P129-L132 PolarHBondContact O-N 3.27Å; L132-R136 WeakPolarHBondContact O-CB 3.35Å; L132-R136 WeakPolarHBondContact O-CG 3.33Å; L132-R136 PolarHBondContact O-N 2.73Å
133	C	83.5	Confident	77.4	Confident	73 Å²	73	122.9 Å²	122.9	49%	0.493	55%	0.554	S	S	.	*	H	α-helix	trans	-67.1	-43.8	173.6	-171.5	0	0	0	0	112.2	P129 R130 R131 R136 Q137	P129-C133 WeakPolarHBondContact O-CB 3.26Å; P129-C133 PolarHBondContact O-N 3.11Å; R130-C133 PolarHBondContact O-N 3.41Å; R131-C133 VanDerWaalsContact C-N 3.28Å; R131-C133 PolarHBondContact O-N 3.08Å; C133-R136 PolarHBondContact O-N 3.1Å; C133-Q137 WeakPolarHBondContact O-CB 3.25Å; C133-Q137 PolarHBondContact O-N 3.31Å
134	L	78.7	Confident	77.2	Confident	89 Å²	89	117.5 Å²	117.5	47%	0.466	54%	0.541	S	S	.	.	H	α-helix	trans	-67.6	-34	175.9	-78	163	0	0	0	112.4	R130 R131 Q137 K138	R130-L134 WeakPolarHBondContact O-CB 3.29Å; R130-L134 WeakPolarHBondContact O-CG 3.43Å; R130-L134 PolarHBondContact O-N 3.18Å; R131-L134 CarbonylContact O-C 3.52Å; R131-L134 PolarHBondContact O-N 3.38Å; L134-Q137 PolarHBondContact O-N 3Å; L134-K138 VanDerWaalsContact O-CB 3.28Å; L134-K138 WeakPolarHBondContact O-CB 3.48Å; L134-K138 VanDerWaalsContact O-CG 3.23Å; L134-K138 WeakPolarHBondContact O-CG 3.34Å; L134-K138 PolarHBondContact O-N 2.9Å
135	E	76.7	Confident	77.2	Confident	115 Å²	115	117.8 Å²	117.8	54%	0.537	55%	0.547	S	S	.	.	H	α-helix	trans	-71.3	-41.3	173.9	-84.4	-178.2	160	0	0	111.1	R131 Q137 K138 Q139	R131-E135 VanDerWaalsContact O-CB 3.3Å; R131-E135 WeakPolarHBondContact O-CB 3.49Å; R131-E135 WeakPolarHBondContact O-CG 3.37Å; R131-E135 PolarHBondContact O-N 2.98Å; E135-Q137 VanDerWaalsContact C-N 3.32Å; E135-Q137 PolarHBondContact O-N 3.19Å; E135-K138 CarbonylContact O-C 3.5Å; E135-K138 PolarHBondContact O-N 3.09Å; E135-Q139 VanDerWaalsContact O-CB 3.28Å; E135-Q139 WeakPolarHBondContact O-CB 3Å; E135-Q139 PolarHBondContact O-N 3.21Å
136	R	78	Confident	77.1	Confident	182 Å²	182	114.1 Å²	114.1	69%	0.687	54%	0.535	S	S	*	.	H	α-helix	trans	-61.9	-40.2	170.3	-79.1	-179.1	-180	177.7	0.5	111.4	L132 C133 R140	L132-R136 WeakPolarHBondContact O-CB 3.35Å; L132-R136 WeakPolarHBondContact O-CG 3.33Å; L132-R136 PolarHBondContact O-N 2.73Å; C133-R136 PolarHBondContact O-N 3.1Å; R136-R140 WeakPolarHBondContact O-CB 3.47Å; R136-R140 WeakPolarHBondContact O-CG 3.29Å; R136-R140 PolarHBondContact O-N 3Å
137	Q	77.1	Confident	77	Confident	102 Å²	102	115.6 Å²	115.6	48%	0.477	53%	0.533	S	S	.	.	H	α-helix	trans	-66.7	-42.1	173	-84	-172.5	-7.6	0	0	112.3	C133 L134 E135 R140 K141	C133-Q137 WeakPolarHBondContact O-CB 3.25Å; C133-Q137 PolarHBondContact O-N 3.31Å; L134-Q137 PolarHBondContact O-N 3Å; E135-Q137 VanDerWaalsContact C-N 3.32Å; E135-Q137 PolarHBondContact O-N 3.19Å; Q137-R140 PolarHBondContact O-N 3.4Å; Q137-K141 WeakPolarHBondContact O-CB 3.3Å; Q137-K141 VanDerWaalsContact O-CG 3.29Å; Q137-K141 WeakPolarHBondContact O-CG 3.49Å; Q137-K141 PolarHBondContact O-N 3.43Å
138	K	77.4	Confident	77.1	Confident	129 Å²	129	116.7 Å²	116.7	56%	0.561	54%	0.539	S	S	*	.	H	α-helix	trans	-67.2	-37.4	175.9	-78.5	175.3	-178.4	-179.1	0	111.4	L134 E135 K141 R142	L134-K138 VanDerWaalsContact O-CB 3.28Å; L134-K138 WeakPolarHBondContact O-CB 3.48Å; L134-K138 VanDerWaalsContact O-CG 3.23Å; L134-K138 WeakPolarHBondContact O-CG 3.34Å; L134-K138 PolarHBondContact O-N 2.9Å; E135-K138 CarbonylContact O-C 3.5Å; E135-K138 PolarHBondContact O-N 3.09Å; K138-K141 CarbonylContact O-C 3.58Å; K138-K141 PolarHBondContact O-N 3.49Å; K138-R142 VanDerWaalsContact O-CB 3.26Å; K138-R142 WeakPolarHBondContact O-CB 3.4Å; K138-R142 VanDerWaalsContact O-CG 3.22Å; K138-R142 WeakPolarHBondContact O-CG 3.2Å; K138-R142 PolarHBondContact O-N 3.28Å
139	Q	76.6	Confident	77.1	Confident	129 Å²	129	114.7 Å²	114.7	60%	0.603	54%	0.535	S	S	*	.	H	α-helix	trans	-66.4	-47.6	172.5	-86.3	-165.5	-14.5	0	0	110.3	E135 K141 R142 V143	E135-Q139 VanDerWaalsContact O-CB 3.28Å; E135-Q139 WeakPolarHBondContact O-CB 3Å; E135-Q139 PolarHBondContact O-N 3.21Å; Q139-K141 VanDerWaalsContact C-N 3.3Å; Q139-K141 PolarHBondContact O-N 2.91Å; Q139-R142 CarbonylContact O-C 3.54Å; Q139-R142 PolarHBondContact O-N 2.99Å; Q139-V143 WeakPolarHBondContact O-CB 3.25Å; Q139-V143 VanDerWaalsContact O-CG2 3.28Å; Q139-V143 WeakPolarHBondContact O-CG2 3.41Å; Q139-V143 PolarHBondContact O-N 3.5Å
140	R	76	Confident	77	Confident	199 Å²	199	115.7 Å²	115.7	75%	0.751	54%	0.535	S	S	*	.	H	α-helix	trans	-58.2	-41.4	173.3	-77.6	-177.6	178	-163.5	-0.7	112.1	R136 Q137 S144	R136-R140 WeakPolarHBondContact O-CB 3.47Å; R136-R140 WeakPolarHBondContact O-CG 3.29Å; R136-R140 PolarHBondContact O-N 3Å; Q137-R140 PolarHBondContact O-N 3.4Å; R140-S144 WeakPolarHBondContact O-CB 3.3Å; R140-S144 PolarHBondContact O-N 3.38Å
141	K	78.7	Confident	76.8	Confident	150 Å²	150	110.3 Å²	110.3	65%	0.652	52%	0.522	S	S	*	.	H	α-helix	trans	-68.1	-34.9	173.7	-74.4	-178.4	178.8	-174.5	0	112.5	Q137 K138 Q139 S145	Q137-K141 WeakPolarHBondContact O-CB 3.3Å; Q137-K141 VanDerWaalsContact O-CG 3.29Å; Q137-K141 WeakPolarHBondContact O-CG 3.49Å; Q137-K141 PolarHBondContact O-N 3.43Å; K138-K141 CarbonylContact O-C 3.58Å; K138-K141 PolarHBondContact O-N 3.49Å; Q139-K141 VanDerWaalsContact C-N 3.3Å; Q139-K141 PolarHBondContact O-N 2.91Å; K141-S145 WeakPolarHBondContact O-CB 3.34Å; K141-S145 PolarHBondContact O-N 3.35Å; K141-S145 PolarHBondContact O-OG 3.42Å
142	R	76.6	Confident	76.8	Confident	171 Å²	171	114 Å²	114	65%	0.645	54%	0.536	S	S	*	.	H	α-helix	trans	-70.4	-46.4	175.3	-82	177.3	-177.5	179.5	0.9	111.4	K138 Q139 S145 L146	K138-R142 VanDerWaalsContact O-CB 3.26Å; K138-R142 WeakPolarHBondContact O-CB 3.4Å; K138-R142 VanDerWaalsContact O-CG 3.22Å; K138-R142 WeakPolarHBondContact O-CG 3.2Å; K138-R142 PolarHBondContact O-N 3.28Å; Q139-R142 CarbonylContact O-C 3.54Å; Q139-R142 PolarHBondContact O-N 2.99Å; R142-S145 WeakPolarHBondContact CA-OG 3.38Å; R142-S145 CarbonylContact O-C 3.6Å; R142-S145 WeakPolarHBondContact O-CA 3.44Å; R142-S145 PolarHBondContact O-N 3.33Å; R142-S145 VanDerWaalsContact O-N 3.13Å; R142-S145 PolarHBondContact O-OG 3.31Å; R142-L146 WeakPolarHBondContact O-CB 3.21Å; R142-L146 WeakPolarHBondContact O-CG 3.34Å; R142-L146 PolarHBondContact O-N 3.36Å
143	V	77.9	Confident	76.5	Confident	74 Å²	74	115.8 Å²	115.8	45%	0.448	54%	0.542	S	S	.	.	H	α-helix	trans	-60.1	-50.9	174	174	0	0	0	0	108.8	Q139 S145 L146 E147	Q139-V143 WeakPolarHBondContact O-CB 3.25Å; Q139-V143 VanDerWaalsContact O-CG2 3.28Å; Q139-V143 WeakPolarHBondContact O-CG2 3.41Å; Q139-V143 PolarHBondContact O-N 3.5Å; V143-S145 VanDerWaalsContact C-N 3.27Å; V143-S145 PolarHBondContact O-N 3.03Å; V143-L146 CarbonylContact O-C 3.59Å; V143-L146 PolarHBondContact O-N 2.7Å; V143-E147 HydrophobicContact CG1-CG 4.33Å; V143-E147 WeakPolarHBondContact O-CB 3.45Å; V143-E147 WeakPolarHBondContact O-CG 3.46Å; V143-E147 PolarHBondContact O-N 3.29Å
144	S	74.8	Confident	76.2	Confident	52 Å²	52	117.6 Å²	117.6	36%	0.364	55%	0.546	S	S	.	.	H	α-helix	trans	-61	-32.6	173.3	-179.1	0	0	0	0	112.7	R140 N148	R140-S144 WeakPolarHBondContact O-CB 3.3Å; R140-S144 PolarHBondContact O-N 3.38Å; S144-N148 WeakPolarHBondContact O-CB 3.03Å; S144-N148 PolarHBondContact O-N 3.48Å; S144-N148 PolarHBondContact O-ND2 3.08Å
145	S	77	Confident	75.8	Confident	51 Å²	51	120.5 Å²	120.5	36%	0.357	55%	0.551	S	S	.	*	H	α-helix	trans	-74.6	-31.3	174.1	81.2	0	0	0	0	113.1	K141 R142 V143 K149	K141-S145 WeakPolarHBondContact O-CB 3.34Å; K141-S145 PolarHBondContact O-N 3.35Å; K141-S145 PolarHBondContact O-OG 3.42Å; R142-S145 WeakPolarHBondContact CA-OG 3.38Å; R142-S145 CarbonylContact O-C 3.6Å; R142-S145 WeakPolarHBondContact O-CA 3.44Å; R142-S145 PolarHBondContact O-N 3.33Å; R142-S145 VanDerWaalsContact O-N 3.13Å; R142-S145 PolarHBondContact O-OG 3.31Å; V143-S145 VanDerWaalsContact C-N 3.27Å; V143-S145 PolarHBondContact O-N 3.03Å; S145-K149 VanDerWaalsContact O-CB 3.29Å; S145-K149 WeakPolarHBondContact O-CB 3.28Å; S145-K149 VanDerWaalsContact O-CG 3.26Å; S145-K149 WeakPolarHBondContact O-CG 3.22Å; S145-K149 PolarHBondContact O-N 3.35Å
146	L	75	Confident	75.4	Confident	99 Å²	99	121.6 Å²	121.6	52%	0.518	55%	0.554	S	S	.	*	H	α-helix	trans	-76.4	-42.5	177	-81.2	168	0	0	0	109.8	R142 V143 K149 L150	R142-L146 WeakPolarHBondContact O-CB 3.21Å; R142-L146 WeakPolarHBondContact O-CG 3.34Å; R142-L146 PolarHBondContact O-N 3.36Å; V143-L146 CarbonylContact O-C 3.59Å; V143-L146 PolarHBondContact O-N 2.7Å; L146-K149 CarbonylContact O-C 3.52Å; L146-K149 PolarHBondContact O-N 3.43Å; L146-K149 VanDerWaalsContact O-N 3.16Å; L146-L150 VanDerWaalsContact O-CB 3.31Å; L146-L150 WeakPolarHBondContact O-CB 3.4Å; L146-L150 PolarHBondContact O-N 2.95Å
147	E	76.9	Confident	75	Confident	110 Å²	110	119.2 Å²	119.2	51%	0.514	55%	0.551	S	S	.	*	H	α-helix	trans	-58.8	-48	166.8	-73	171.6	171.1	0	0	109.6	V143 K149 L150 V151	V143-E147 HydrophobicContact CG1-CG 4.33Å; V143-E147 WeakPolarHBondContact O-CB 3.45Å; V143-E147 WeakPolarHBondContact O-CG 3.46Å; V143-E147 PolarHBondContact O-N 3.29Å; E147-K149 VanDerWaalsContact C-N 3.28Å; E147-K149 PolarHBondContact O-N 3.48Å; E147-L150 PolarHBondContact O-N 3.14Å; E147-V151 WeakPolarHBondContact O-CA 3.26Å; E147-V151 WeakPolarHBondContact O-CB 3.17Å; E147-V151 WeakPolarHBondContact O-CG2 3.14Å; E147-V151 PolarHBondContact O-N 3.38Å
148	N	75.1	Confident	74.8	Confident	83 Å²	83	117.1 Å²	117.1	44%	0.444	55%	0.545	S	S	.	.	H	α-helix	trans	-64	-30.6	174.1	-83.1	-53.3	0	0	0	112.9	S144 R152	S144-N148 WeakPolarHBondContact O-CB 3.03Å; S144-N148 PolarHBondContact O-N 3.48Å; S144-N148 PolarHBondContact O-ND2 3.08Å; N148-R152 WeakPolarHBondContact O-CA 3.5Å; N148-R152 WeakPolarHBondContact O-CB 3.49Å; N148-R152 WeakPolarHBondContact O-CD 3.28Å; N148-R152 WeakPolarHBondContact O-CG 3.23Å; N148-R152 PolarHBondContact O-N 3.36Å
149	K	75	Confident	74.1	Confident	132 Å²	132	114.5 Å²	114.5	57%	0.574	54%	0.537	S	S	*	.	H	α-helix	trans	-74.7	-38.8	174	-85.7	179.4	179.5	-175.3	0	112	S145 L146 E147 R152 Q153	S145-K149 VanDerWaalsContact O-CB 3.29Å; S145-K149 WeakPolarHBondContact O-CB 3.28Å; S145-K149 VanDerWaalsContact O-CG 3.26Å; S145-K149 WeakPolarHBondContact O-CG 3.22Å; S145-K149 PolarHBondContact O-N 3.35Å; L146-K149 CarbonylContact O-C 3.52Å; L146-K149 PolarHBondContact O-N 3.43Å; L146-K149 VanDerWaalsContact O-N 3.16Å; E147-K149 VanDerWaalsContact C-N 3.28Å; E147-K149 PolarHBondContact O-N 3.48Å; K149-R152 CarbonylContact O-C 3.59Å; K149-R152 PolarHBondContact O-N 2.95Å; K149-Q153 VanDerWaalsContact O-CB 3.28Å; K149-Q153 WeakPolarHBondContact O-CB 3.44Å; K149-Q153 PolarHBondContact O-N 3.27Å
150	L	76.3	Confident	73.2	Confident	110 Å²	110	114.1 Å²	114.1	58%	0.576	53%	0.533	S	S	*	.	H	α-helix	trans	-69.5	-44.4	175.7	-87	160.5	0	0	0	110.2	L146 E147 Q153 L154	L146-L150 VanDerWaalsContact O-CB 3.31Å; L146-L150 WeakPolarHBondContact O-CB 3.4Å; L146-L150 PolarHBondContact O-N 2.95Å; E147-L150 PolarHBondContact O-N 3.14Å; L150-Q153 CarbonylContact O-C 3.11Å; L150-Q153 PolarHBondContact O-N 3.14Å; L150-L154 WeakPolarHBondContact O-CB 3.46Å; L150-L154 PolarHBondContact O-N 2.95Å
151	V	75.7	Confident	72.8	Confident	67 Å²	67	109 Å²	109	41%	0.406	52%	0.524	S	S	.	.	H	α-helix	trans	-62.1	-45	171.2	170.8	0	0	0	0	108.9	E147 Q153 L154 W155	E147-V151 WeakPolarHBondContact O-CA 3.26Å; E147-V151 WeakPolarHBondContact O-CB 3.17Å; E147-V151 WeakPolarHBondContact O-CG2 3.14Å; E147-V151 PolarHBondContact O-N 3.38Å; V151-Q153 PolarHBondContact O-N 2.97Å; V151-L154 PolarHBondContact O-N 2.93Å; V151-W155 VanDerWaalsContact CG1-CD1 3.4Å; V151-W155 VanDerWaalsContact O-CB 3.27Å; V151-W155 WeakPolarHBondContact O-CB 3.32Å; V151-W155 PolarHBondContact O-N 3.23Å
152	R	72	Confident	72.1	Confident	186 Å²	186	105.1 Å²	105.1	70%	0.702	51%	0.513	S	S	*	.	H	α-helix	trans	-64.7	-37.6	172.8	-79	173.3	-173.8	-157.9	1.1	112.7	N148 K149 W155 F156	N148-R152 WeakPolarHBondContact O-CA 3.5Å; N148-R152 WeakPolarHBondContact O-CB 3.49Å; N148-R152 WeakPolarHBondContact O-CD 3.28Å; N148-R152 WeakPolarHBondContact O-CG 3.23Å; N148-R152 PolarHBondContact O-N 3.36Å; K149-R152 CarbonylContact O-C 3.59Å; K149-R152 PolarHBondContact O-N 2.95Å; R152-W155 CarbonylContact O-C 3.57Å; R152-F156 WeakPolarHBondContact O-CA 3.28Å; R152-F156 WeakPolarHBondContact O-CB 3.33Å; R152-F156 PolarHBondContact O-N 2.93Å
153	Q	72.4	Confident	71.2	Confident	128 Å²	128	101.4 Å²	101.4	60%	0.598	50%	0.504	S	S	*	.	H	α-helix	trans	-68.8	-40.4	176	-96.3	179.9	-39.6	0	0	111.1	K149 L150 V151 F156 Q157	K149-Q153 VanDerWaalsContact O-CB 3.28Å; K149-Q153 WeakPolarHBondContact O-CB 3.44Å; K149-Q153 PolarHBondContact O-N 3.27Å; L150-Q153 CarbonylContact O-C 3.11Å; L150-Q153 PolarHBondContact O-N 3.14Å; V151-Q153 PolarHBondContact O-N 2.97Å; Q153-F156 CarbonylContact O-C 3.56Å; Q153-F156 PolarHBondContact O-N 2.79Å; Q153-Q157 VanDerWaalsContact O-CB 3.28Å; Q153-Q157 WeakPolarHBondContact O-CB 3.48Å; Q153-Q157 WeakPolarHBondContact O-CG 3.34Å; Q153-Q157 PolarHBondContact O-N 2.92Å
154	L	76	Confident	70.2	Confident	112 Å²	112	103.5 Å²	103.5	59%	0.586	51%	0.513	S	S	*	.	H	α-helix	trans	-64.2	-48.1	174.6	-168	95.4	0	0	0	109.2	L150 V151 F156 Q157 V158	L150-L154 WeakPolarHBondContact O-CB 3.46Å; L150-L154 PolarHBondContact O-N 2.95Å; V151-L154 PolarHBondContact O-N 2.93Å; L154-F156 VanDerWaalsContact C-N 3.31Å; L154-F156 PolarHBondContact O-N 2.91Å; L154-Q157 CarbonylContact O-C 3.56Å; L154-Q157 WeakPolarHBondContact O-CB 3.49Å; L154-Q157 PolarHBondContact O-N 2.77Å; L154-V158 WeakPolarHBondContact O-CB 3.49Å; L154-V158 WeakPolarHBondContact O-CG2 3.36Å; L154-V158 PolarHBondContact O-N 3.32Å
155	W	70.3	Confident	69.4	Low	150 Å²	150	107.5 Å²	107.5	57%	0.568	52%	0.524	S	S	*	.	H	α-helix	trans	-68.5	-24.9	173.4	-78.5	105.5	0	0	0	112.7	V151 R152 V158 D159	V151-W155 VanDerWaalsContact CG1-CD1 3.4Å; V151-W155 VanDerWaalsContact O-CB 3.27Å; V151-W155 WeakPolarHBondContact O-CB 3.32Å; V151-W155 PolarHBondContact O-N 3.23Å; R152-W155 CarbonylContact O-C 3.57Å; W155-V158 HydrophobicContact CE3-CG1 4.27Å; W155-V158 HydrophobicContact CZ3-CG1 4.39Å; W155-D159 WeakPolarHBondContact O-CA 3.4Å; W155-D159 WeakPolarHBondContact O-CB 3.36Å; W155-D159 PolarHBondContact O-N 2.62Å
156	F	68	Low	68.4	Low	138 Å²	138	111.4 Å²	111.4	61%	0.605	53%	0.534	S	S	*	.	H	α-helix	trans	-79.7	-29.6	173.1	-155.6	-88.2	0	0	0	111.2	R152 Q153 L154 K160	R152-F156 WeakPolarHBondContact O-CA 3.28Å; R152-F156 WeakPolarHBondContact O-CB 3.33Å; R152-F156 PolarHBondContact O-N 2.93Å; Q153-F156 CarbonylContact O-C 3.56Å; Q153-F156 PolarHBondContact O-N 2.79Å; L154-F156 VanDerWaalsContact C-N 3.31Å; L154-F156 PolarHBondContact O-N 2.91Å; F156-K160 WeakPolarHBondContact O-CB 3.33Å; F156-K160 WeakPolarHBondContact O-CG 3.36Å; F156-K160 PolarHBondContact O-N 3.12Å
157	Q	70.4	Confident	67.5	Low	131 Å²	131	112.4 Å²	112.4	61%	0.612	54%	0.535	S	S	*	.	H	α-helix	trans	-73.9	-43.8	170.7	-78.1	-100.4	-27	0	0	110.5	Q153 L154 K160 V161	Q153-Q157 VanDerWaalsContact O-CB 3.28Å; Q153-Q157 WeakPolarHBondContact O-CB 3.48Å; Q153-Q157 WeakPolarHBondContact O-CG 3.34Å; Q153-Q157 PolarHBondContact O-N 2.92Å; L154-Q157 CarbonylContact O-C 3.56Å; L154-Q157 WeakPolarHBondContact O-CB 3.49Å; L154-Q157 PolarHBondContact O-N 2.77Å; Q157-K160 WeakPolarHBondContact O-CA 3.44Å; Q157-K160 WeakPolarHBondContact O-CB 3.14Å; Q157-K160 PolarHBondContact O-N 3.35Å; Q157-K160 VanDerWaalsContact O-N 3.13Å; Q157-V161 WeakPolarHBondContact O-CG2 3.49Å; Q157-V161 PolarHBondContact O-N 3.24Å
158	V	72.8	Confident	66.5	Low	59 Å²	59	112.3 Å²	112.3	36%	0.358	54%	0.538	S	S	.	.	H	α-helix	trans	-66.2	-41.3	171.8	173.2	0	0	0	0	109.3	L154 W155 K160 V161 V162	L154-V158 WeakPolarHBondContact O-CB 3.49Å; L154-V158 WeakPolarHBondContact O-CG2 3.36Å; L154-V158 PolarHBondContact O-N 3.32Å; W155-V158 HydrophobicContact CE3-CG1 4.27Å; W155-V158 HydrophobicContact CZ3-CG1 4.39Å; V158-K160 VanDerWaalsContact C-N 3.28Å; V158-K160 PolarHBondContact O-N 3.06Å; V158-V161 CarbonylContact O-C 3.43Å; V158-V161 PolarHBondContact O-N 3.41Å; V158-V161 VanDerWaalsContact O-N 3.13Å; V158-V162 HydrophobicContact CG1-CG2 3.88Å; V158-V162 WeakPolarHBondContact O-CA 3.29Å; V158-V162 VanDerWaalsContact O-CB 3.25Å; V158-V162 WeakPolarHBondContact O-CB 3.45Å; V158-V162 WeakPolarHBondContact O-CG2 3.47Å; V158-V162 PolarHBondContact O-N 3.06Å
159	D	62.6	Low	65.7	Low	73 Å²	73	112.2 Å²	112.2	39%	0.39	54%	0.536	S	S	.	.	H	α-helix	trans	-65.8	-31.5	171	-78.3	-18.5	0	0	0	109.9	W155 I163	W155-D159 WeakPolarHBondContact O-CA 3.4Å; W155-D159 WeakPolarHBondContact O-CB 3.36Å; W155-D159 PolarHBondContact O-N 2.62Å; D159-I163 HydrophobicContact CB-CD1 4.09Å; D159-I163 VanDerWaalsContact O-CA 3.25Å; D159-I163 WeakPolarHBondContact O-CA 3.3Å; D159-I163 WeakPolarHBondContact O-CB 3.19Å; D159-I163 VanDerWaalsContact O-CD1 3.25Å; D159-I163 WeakPolarHBondContact O-CD1 3.44Å; D159-I163 WeakPolarHBondContact O-CG1 3.34Å; D159-I163 PolarHBondContact O-N 3.14Å
160	K	58.5	Low	64.6	Low	121 Å²	121	108.1 Å²	108.1	53%	0.526	52%	0.522	S	S	.	.	H	α-helix	trans	-65.9	-40.1	170.4	-90	-175.4	175.3	-170.1	0	111.7	F156 Q157 V158 L164	F156-K160 WeakPolarHBondContact O-CB 3.33Å; F156-K160 WeakPolarHBondContact O-CG 3.36Å; F156-K160 PolarHBondContact O-N 3.12Å; Q157-K160 WeakPolarHBondContact O-CA 3.44Å; Q157-K160 WeakPolarHBondContact O-CB 3.14Å; Q157-K160 PolarHBondContact O-N 3.35Å; Q157-K160 VanDerWaalsContact O-N 3.13Å; V158-K160 VanDerWaalsContact C-N 3.28Å; V158-K160 PolarHBondContact O-N 3.06Å; K160-L164 VanDerWaalsContact O-CB 3.24Å; K160-L164 WeakPolarHBondContact O-CB 3.43Å; K160-L164 WeakPolarHBondContact O-CD1 3.42Å; K160-L164 PolarHBondContact O-N 3.25Å
161	V	66.2	Low	63.4	Low	93 Å²	93	105.6 Å²	105.6	56%	0.564	52%	0.517	S	S	*	.	H	α-helix	trans	-73	-41.3	177.9	176.8	0	0	0	0	111	Q157 V158 L164 F165	Q157-V161 WeakPolarHBondContact O-CG2 3.49Å; Q157-V161 PolarHBondContact O-N 3.24Å; V158-V161 CarbonylContact O-C 3.43Å; V158-V161 PolarHBondContact O-N 3.41Å; V158-V161 VanDerWaalsContact O-N 3.13Å; V161-L164 CarbonylContact O-C 3.51Å; V161-L164 WeakPolarHBondContact O-CB 3.32Å; V161-L164 PolarHBondContact O-N 2.63Å; V161-F165 WeakPolarHBondContact O-CB 3.42Å; V161-F165 PolarHBondContact O-N 3.19Å
162	V	64	Low	62.3	Low	68 Å²	68	110 Å²	110	41%	0.412	54%	0.537	S	S	.	.	H	α-helix	trans	-71.4	-37.7	176	174.6	0	0	0	0	109.1	V158 L164 F165 F166	V158-V162 HydrophobicContact CG1-CG2 3.88Å; V158-V162 WeakPolarHBondContact O-CA 3.29Å; V158-V162 VanDerWaalsContact O-CB 3.25Å; V158-V162 WeakPolarHBondContact O-CB 3.45Å; V158-V162 WeakPolarHBondContact O-CG2 3.47Å; V158-V162 PolarHBondContact O-N 3.06Å; V162-L164 VanDerWaalsContact C-N 3.32Å; V162-F165 CarbonylContact O-C 3.51Å; V162-F165 PolarHBondContact O-N 3.42Å; V162-F166 WeakPolarHBondContact O-CA 3.36Å; V162-F166 WeakPolarHBondContact O-CB 3.4Å; V162-F166 PolarHBondContact O-N 3.44Å
163	I	58.9	Low	61	Low	92 Å²	92	108.9 Å²	108.9	47%	0.472	54%	0.538	S	S	.	.	H	α-helix	trans	-70.2	-28.2	170.3	-69.1	162.7	0	0	0	109.8	D159 F166 F167	D159-I163 HydrophobicContact CB-CD1 4.09Å; D159-I163 VanDerWaalsContact O-CA 3.25Å; D159-I163 WeakPolarHBondContact O-CA 3.3Å; D159-I163 WeakPolarHBondContact O-CB 3.19Å; D159-I163 VanDerWaalsContact O-CD1 3.25Å; D159-I163 WeakPolarHBondContact O-CD1 3.44Å; D159-I163 WeakPolarHBondContact O-CG1 3.34Å; D159-I163 PolarHBondContact O-N 3.14Å; I163-F166 CarbonylContact O-C 3.53Å; I163-F167 HydrophobicContact CG2-CD2 3.72Å; I163-F167 HydrophobicContact CG2-CE2 4.23Å; I163-F167 VanDerWaalsContact O-CA 3.25Å; I163-F167 WeakPolarHBondContact O-CA 3.5Å; I163-F167 WeakPolarHBondContact O-CB 3.29Å; I163-F167 WeakPolarHBondContact O-CD2 3.21Å; I163-F167 PolarHBondContact O-N 2.94Å
164	L	57.5	Low	59.5	Low	119 Å²	119	108.6 Å²	108.6	62%	0.623	53%	0.531	S	S	*	.	H	α-helix	trans	-71.8	-37	168.7	-103.4	141.8	0	0	0	111.5	K160 V161 V162 F167 L168	K160-L164 VanDerWaalsContact O-CB 3.24Å; K160-L164 WeakPolarHBondContact O-CB 3.43Å; K160-L164 WeakPolarHBondContact O-CD1 3.42Å; K160-L164 PolarHBondContact O-N 3.25Å; V161-L164 CarbonylContact O-C 3.51Å; V161-L164 WeakPolarHBondContact O-CB 3.32Å; V161-L164 PolarHBondContact O-N 2.63Å; V162-L164 VanDerWaalsContact C-N 3.32Å; L164-F167 CarbonylContact O-C 3.57Å; L164-F167 PolarHBondContact O-N 3.18Å; L164-L168 WeakPolarHBondContact O-CB 3.31Å; L164-L168 PolarHBondContact O-N 3.02Å
165	F	57.9	Low	57.7	Low	135 Å²	135	114.2 Å²	114.2	59%	0.592	55%	0.546	S	S	*	.	H	α-helix	trans	-77.2	-37.1	177.6	-139.4	-93.4	0	0	0	111.8	V161 V162 L168 I169	V161-F165 WeakPolarHBondContact O-CB 3.42Å; V161-F165 PolarHBondContact O-N 3.19Å; V162-F165 CarbonylContact O-C 3.51Å; V162-F165 PolarHBondContact O-N 3.42Å; F165-L168 PolarHBondContact O-N 2.96Å; F165-I169 HydrophobicContact CD1-CD1 3.69Å; F165-I169 HydrophobicContact CD1-CG1 4.41Å; F165-I169 HydrophobicContact CE1-CD1 4Å; F165-I169 WeakPolarHBondContact O-CB 3.44Å; F165-I169 VanDerWaalsContact O-CG1 3.22Å; F165-I169 WeakPolarHBondContact O-CG1 3.39Å; F165-I169 PolarHBondContact O-N 3.1Å
166	F	55.8	Low	56	Low	133 Å²	133	112.9 Å²	112.9	58%	0.583	55%	0.55	S	S	*	*	H	α-helix	trans	-73.9	-29.5	168.2	-128.9	-96.5	0	0	0	108.6	V162 I163 L168 T170	V162-F166 WeakPolarHBondContact O-CA 3.36Å; V162-F166 WeakPolarHBondContact O-CB 3.4Å; V162-F166 PolarHBondContact O-N 3.44Å; I163-F166 CarbonylContact O-C 3.53Å; F166-L168 VanDerWaalsContact C-N 3.31Å; F166-T170 WeakPolarHBondContact CD1-OG1 3.43Å; F166-T170 WeakPolarHBondContact O-CA 2.9Å; F166-T170 WeakPolarHBondContact O-CB 3.45Å; F166-T170 PolarHBondContact O-N 3.14Å; F166-T170 PolarHBondContact O-OG1 3.06Å
167	F	54.8	Low	54.9	Low	120 Å²	120	109.6 Å²	109.6	53%	0.526	55%	0.545	S	S	.	.	H	α-helix	trans	-72	-30.7	168.8	-113.2	-101.8	0	0	0	109.8	I163 L164 A171 W174	I163-F167 HydrophobicContact CG2-CD2 3.72Å; I163-F167 HydrophobicContact CG2-CE2 4.23Å; I163-F167 VanDerWaalsContact O-CA 3.25Å; I163-F167 WeakPolarHBondContact O-CA 3.5Å; I163-F167 WeakPolarHBondContact O-CB 3.29Å; I163-F167 WeakPolarHBondContact O-CD2 3.21Å; I163-F167 PolarHBondContact O-N 2.94Å; L164-F167 CarbonylContact O-C 3.57Å; L164-F167 PolarHBondContact O-N 3.18Å; F167-A171 WeakPolarHBondContact O-CA 3.45Å; F167-A171 WeakPolarHBondContact O-CB 3.31Å; F167-A171 PolarHBondContact O-N 3.33Å; F167-W174 HydrophobicContact CE1-CZ2 4.39Å; F167-W174 HydrophobicContact CZ-CZ2 4.43Å
168	L	56.4	Low	53.8	Low	109 Å²	109	108.9 Å²	108.9	57%	0.571	55%	0.545	S	S	*	.	H	α-helix	trans	-73	-42.8	174	-130.7	84.9	0	0	0	111.4	L164 F165 F166 A171 L172	L164-L168 WeakPolarHBondContact O-CB 3.31Å; L164-L168 PolarHBondContact O-N 3.02Å; F165-L168 PolarHBondContact O-N 2.96Å; F166-L168 VanDerWaalsContact C-N 3.31Å; L168-A171 PolarHBondContact O-N 3.2Å; L168-L172 WeakPolarHBondContact O-CG 3.08Å; L168-L172 PolarHBondContact O-N 3.29Å
169	I	57.8	Low	52.5	Low	80 Å²	80	114.5 Å²	114.5	41%	0.41	56%	0.561	S	S	.	*	H	α-helix	trans	-76.9	-36.6	179	-68.5	170.8	0	0	0	111.1	F165 L172 K173	F165-I169 HydrophobicContact CD1-CD1 3.69Å; F165-I169 HydrophobicContact CD1-CG1 4.41Å; F165-I169 HydrophobicContact CE1-CD1 4Å; F165-I169 WeakPolarHBondContact O-CB 3.44Å; F165-I169 VanDerWaalsContact O-CG1 3.22Å; F165-I169 WeakPolarHBondContact O-CG1 3.39Å; F165-I169 PolarHBondContact O-N 3.1Å; I169-L172 CarbonylContact O-C 3.03Å; I169-L172 PolarHBondContact O-N 2.99Å; I169-K173 WeakPolarHBondContact O-CB 3.27Å; I169-K173 PolarHBondContact O-N 3.15Å
170	T	52.3	Low	51.9	Low	47 Å²	47	113.5 Å²	113.5	29%	0.288	56%	0.56	S	S	.	*	H	α-helix	trans	-71.6	-32.6	168.4	-43.9	0	0	0	0	108.4	F166 L172 K173 W174	F166-T170 WeakPolarHBondContact CD1-OG1 3.43Å; F166-T170 WeakPolarHBondContact O-CA 2.9Å; F166-T170 WeakPolarHBondContact O-CB 3.45Å; F166-T170 PolarHBondContact O-N 3.14Å; F166-T170 PolarHBondContact O-OG1 3.06Å; T170-L172 PolarHBondContact O-N 3.1Å; T170-K173 CarbonylContact O-C 3.57Å; T170-K173 VanDerWaalsContact O-CA 3.29Å; T170-K173 WeakPolarHBondContact O-CA 3.37Å; T170-K173 PolarHBondContact O-N 3.41Å; T170-W174 VanDerWaalsContact O-CA 3.29Å; T170-W174 WeakPolarHBondContact O-CA 3.46Å; T170-W174 VanDerWaalsContact O-CB 3.25Å; T170-W174 WeakPolarHBondContact O-CB 3.35Å; T170-W174 VanDerWaalsContact O-CG 3.3Å; T170-W174 PolarHBondContact O-N 2.77Å
171	A	51.2	Low	51.4	Low	57 Å²	57	109.9 Å²	109.9	47%	0.471	55%	0.553	S	S	.	*	H	α-helix	trans	-65.9	-29.2	174.6	0	0	0	0	0	111.6	F167 L168	F167-A171 WeakPolarHBondContact O-CA 3.45Å; F167-A171 WeakPolarHBondContact O-CB 3.31Å; F167-A171 PolarHBondContact O-N 3.33Å; L168-A171 PolarHBondContact O-N 3.2Å
172	L	52.5	Low	50.8	Low	158 Å²	158	111.2 Å²	111.2	83%	0.827	55%	0.553	S	S	*	*	H	α-helix	trans	-86	-12.5	169.7	-66.9	171.5	0	0	0	113.2	L168 I169 T170	L168-L172 WeakPolarHBondContact O-CG 3.08Å; L168-L172 PolarHBondContact O-N 3.29Å; I169-L172 CarbonylContact O-C 3.03Å; I169-L172 PolarHBondContact O-N 2.99Å; T170-L172 PolarHBondContact O-N 3.1Å
173	K	44.5	Very low	50.2	Low	164 Å²	164	114 Å²	114	71%	0.713	56%	0.556	S	S	*	*	S	Bend	trans	-104.5	7.9	167.8	-88	-179.6	173	178.9	0	113.6	I169 T170 Y175	I169-K173 WeakPolarHBondContact O-CB 3.27Å; I169-K173 PolarHBondContact O-N 3.15Å; T170-K173 CarbonylContact O-C 3.57Å; T170-K173 VanDerWaalsContact O-CA 3.29Å; T170-K173 WeakPolarHBondContact O-CA 3.37Å; T170-K173 PolarHBondContact O-N 3.41Å; K173-Y175 PolarHBondContact O-N 2.98Å
174	W	41.4	Very low	50	Low	122 Å²	122	115.7 Å²	115.7	46%	0.462	56%	0.562	S	S	.	*			trans	-78.4	34.2	-174.7	-103.2	99.9	0	0	0	109.6	F167 T170 D176	F167-W174 HydrophobicContact CE1-CZ2 4.39Å; F167-W174 HydrophobicContact CZ-CZ2 4.43Å; T170-W174 VanDerWaalsContact O-CA 3.29Å; T170-W174 WeakPolarHBondContact O-CA 3.46Å; T170-W174 VanDerWaalsContact O-CB 3.25Å; T170-W174 WeakPolarHBondContact O-CB 3.35Å; T170-W174 VanDerWaalsContact O-CG 3.3Å; T170-W174 PolarHBondContact O-N 2.77Å; W174-D176 PolarHBondContact O-N 3.47Å; W174-D176 VanDerWaalsContact O-N 3.12Å
175	Y	37.9	Very low	49.9	Very low	229 Å²	229	111.4 Å²	111.4	90%	0.898	55%	0.547	S	S	*	.			trans	-77.4	37.9	160.1	-152	-92.8	0	0	0	110.5	K173	K173-Y175 PolarHBondContact O-N 2.98Å
176	D	35.5	Very low	50	Low	122 Å²	122	110.5 Å²	110.5	65%	0.652	54%	0.544	S	S	*	.			trans	-129	58.9	161.6	-137.2	-4	0	0	0	106.7	W174 D178	W174-D176 PolarHBondContact O-N 3.47Å; W174-D176 VanDerWaalsContact O-N 3.12Å; D176-D178 PolarHBondContact O-N 2.9Å
177	S	45	Very low	50.1	Low	70 Å²	70	106.1 Å²	106.1	49%	0.49	53%	0.527	S	S	.	.			trans	-75.1	-2.6	-176.9	176	0	0	0	0	112.8	A181	S177-A181 WeakPolarHBondContact O-CB 3.47Å
178	D	45.5	Very low	50.4	Low	116 Å²	116	103 Å²	103	62%	0.62	52%	0.523	S	S	*	.	H	α-helix	trans	-91.7	-30	-163.4	-67.8	-23	0	0	0	113.7	D176 E182	D176-D178 PolarHBondContact O-N 2.9Å; D178-E182 PolarHBondContact O-N 2.96Å
179	Y	45.9	Very low	50.8	Low	176 Å²	176	101.9 Å²	101.9	69%	0.69	52%	0.523	S	S	*	.	H	α-helix	trans	-83.9	-29.2	-173.4	-114.5	-88.2	0	0	0	115.5
180	S	49.4	Very low	51	Low	52 Å²	52	100.5 Å²	100.5	36%	0.364	52%	0.517	S	S	.	.	H	α-helix	trans	-86.7	-28.9	173.1	70.1	0	0	0	0	112.2	R183 Q184	S180-R183 PolarHBondContact O-N 3.06Å; S180-Q184 WeakPolarHBondContact O-CB 3.36Å; S180-Q184 WeakPolarHBondContact O-CG 3.44Å; S180-Q184 PolarHBondContact O-N 3.36Å
181	A	49.3	Very low	51.3	Low	46 Å²	46	98.9 Å²	98.9	38%	0.38	51%	0.508	S	S	.	.	H	α-helix	trans	-68.7	-36.2	175.3	0	0	0	0	0	111.8	S177 G185	S177-A181 WeakPolarHBondContact O-CB 3.47Å; A181-G185 VanDerWaalsContact O-CA 3.3Å; A181-G185 WeakPolarHBondContact O-CA 3.33Å; A181-G185 PolarHBondContact O-N 3.04Å
182	E	53.1	Low	51.9	Low	121 Å²	121	101 Å²	101	57%	0.565	51%	0.508	S	S	*	.	H	α-helix	trans	-63.6	-41.4	172.5	-87.1	-167.8	154.5	0	0	112.5	D178 G185 Q186	D178-E182 PolarHBondContact O-N 2.96Å; E182-G185 PolarHBondContact O-N 3.34Å; E182-Q186 WeakPolarHBondContact O-CB 3.37Å; E182-Q186 WeakPolarHBondContact O-CG 3.42Å; E182-Q186 PolarHBondContact O-N 2.85Å
183	R	52.4	Low	52.3	Low	125 Å²	125	95.2 Å²	95.2	47%	0.472	48%	0.483	S	S	.	.	H	α-helix	trans	-72.3	-41.9	179	-70.9	-171.7	-172.1	-171.6	1.7	112.4	S180 G185 Q186 L187	S180-R183 PolarHBondContact O-N 3.06Å; R183-G185 VanDerWaalsContact C-N 3.29Å; R183-Q186 PolarHBondContact O-N 3.15Å; R183-L187 WeakPolarHBondContact O-CB 3.26Å; R183-L187 PolarHBondContact O-N 3.47Å
184	Q	52.8	Low	53	Low	128 Å²	128	87.5 Å²	87.5	60%	0.598	45%	0.45	S	S	*	.	H	α-helix	trans	-66.8	-35	173.2	-74	-179	-5.4	0	0	111.2	S180 L187 A188	S180-Q184 WeakPolarHBondContact O-CB 3.36Å; S180-Q184 WeakPolarHBondContact O-CG 3.44Å; S180-Q184 PolarHBondContact O-N 3.36Å; Q184-L187 PolarHBondContact O-N 3.24Å; Q184-A188 WeakPolarHBondContact O-CB 3.47Å; Q184-A188 PolarHBondContact O-N 3.14Å
185	G	55.9	Low	53.8	Low	30 Å²	30	84.9 Å²	84.9	31%	0.309	44%	0.443	S	S	.	.	H	α-helix	trans	-66.9	-43.7	173.5	0	0	0	0	0	111.9	A181 E182 R183 A188 C189	A181-G185 VanDerWaalsContact O-CA 3.3Å; A181-G185 WeakPolarHBondContact O-CA 3.33Å; A181-G185 PolarHBondContact O-N 3.04Å; E182-G185 PolarHBondContact O-N 3.34Å; R183-G185 VanDerWaalsContact C-N 3.29Å; G185-A188 PolarHBondContact O-N 3.49Å; G185-C189 VanDerWaalsContact O-CB 3.23Å; G185-C189 WeakPolarHBondContact O-CB 3.47Å; G185-C189 PolarHBondContact O-N 3.04Å; G185-C189 PolarHBondContact O-SG 3.48Å
186	Q	60.7	Low	54.8	Low	116 Å²	116	81.4 Å²	81.4	54%	0.542	43%	0.432	S	S	.	.	H	α-helix	trans	-63.1	-45.5	172.4	-76	172.2	12.2	0	0	111.1	E182 R183 A188 C189 I190	E182-Q186 WeakPolarHBondContact O-CB 3.37Å; E182-Q186 WeakPolarHBondContact O-CG 3.42Å; E182-Q186 PolarHBondContact O-N 2.85Å; R183-Q186 PolarHBondContact O-N 3.15Å; Q186-A188 VanDerWaalsContact C-N 3.34Å; Q186-A188 PolarHBondContact O-N 3.04Å; Q186-C189 PolarHBondContact O-N 2.79Å; Q186-I190 VanDerWaalsContact O-CB 3.28Å; Q186-I190 WeakPolarHBondContact O-CB 3.16Å; Q186-I190 WeakPolarHBondContact O-CD1 3.3Å; Q186-I190 WeakPolarHBondContact O-CG1 3.44Å; Q186-I190 PolarHBondContact O-N 3.48Å
187	L	58.6	Low	55.8	Low	40 Å²	40	77.8 Å²	77.8	21%	0.209	41%	0.413	C	S	.	.	H	α-helix	trans	-62.4	-43	176.1	-169.6	80.9	0	0	0	111	R183 Q184 A191 V397 F398	R183-L187 WeakPolarHBondContact O-CB 3.26Å; R183-L187 PolarHBondContact O-N 3.47Å; Q184-L187 PolarHBondContact O-N 3.24Å; L187-A191 WeakPolarHBondContact O-CA 3.45Å; L187-A191 WeakPolarHBondContact O-CB 3.21Å; L187-A191 PolarHBondContact O-N 3.4Å; L187-V397 HydrophobicContact CD1-CG1 3.39Å; L187-F398 HydrophobicContact CD1-CZ 4.34Å
188	A	61	Low	56.6	Low	55 Å²	55	76.3 Å²	76.3	46%	0.455	40%	0.398	S	S	.	.	H	α-helix	trans	-68.2	-42.6	178.5	0	0	0	0	0	111.5	Q184 G185 Q186 A191 E192	Q184-A188 WeakPolarHBondContact O-CB 3.47Å; Q184-A188 PolarHBondContact O-N 3.14Å; G185-A188 PolarHBondContact O-N 3.49Å; Q186-A188 VanDerWaalsContact C-N 3.34Å; Q186-A188 PolarHBondContact O-N 3.04Å; A188-A191 PolarHBondContact O-N 3.39Å; A188-E192 WeakPolarHBondContact O-CB 3.45Å; A188-E192 PolarHBondContact O-N 3.15Å
189	C	64.1	Low	57.1	Low	85 Å²	85	73 Å²	73	57%	0.574	38%	0.383	S	S	*	.	H	α-helix	trans	-65.2	-43.2	175.6	-74.1	0	0	0	0	111.5	G185 Q186 A193	G185-C189 VanDerWaalsContact O-CB 3.23Å; G185-C189 WeakPolarHBondContact O-CB 3.47Å; G185-C189 PolarHBondContact O-N 3.04Å; G185-C189 PolarHBondContact O-SG 3.48Å; Q186-C189 PolarHBondContact O-N 2.79Å; C189-A193 WeakPolarHBondContact O-CB 3.36Å; C189-A193 PolarHBondContact O-N 3.28Å
190	I	61.1	Low	57.4	Low	52 Å²	52	74.9 Å²	74.9	27%	0.267	39%	0.394	S	S	.	.	H	α-helix	trans	-65.7	-44.8	175.6	-66.5	164.3	0	0	0	109.9	Q186 A193 A194 L238 F437	Q186-I190 VanDerWaalsContact O-CB 3.28Å; Q186-I190 WeakPolarHBondContact O-CB 3.16Å; Q186-I190 WeakPolarHBondContact O-CD1 3.3Å; Q186-I190 WeakPolarHBondContact O-CG1 3.44Å; Q186-I190 PolarHBondContact O-N 3.48Å; I190-A193 PolarHBondContact O-N 3.38Å; I190-A194 VanDerWaalsContact O-CB 3.29Å; I190-A194 WeakPolarHBondContact O-CB 3.31Å; I190-A194 PolarHBondContact O-N 3.37Å; I190-L238 HydrophobicContact CG2-CD1 4.17Å; I190-L238 HydrophobicContact CG2-CD2 3.75Å; I190-F437 HydrophobicContact CG2-CE1 4.12Å; I190-F437 HydrophobicContact CG2-CZ 3.73Å
191	A	60.4	Low	57.5	Low	13 Å²	13	74 Å²	74	11%	0.107	39%	0.394	C	S	.	.	H	α-helix	trans	-66.6	-42.7	179.9	0	0	0	0	0	111.9	L187 A188 A194 E195 P436	L187-A191 WeakPolarHBondContact O-CA 3.45Å; L187-A191 WeakPolarHBondContact O-CB 3.21Å; L187-A191 PolarHBondContact O-N 3.4Å; A188-A191 PolarHBondContact O-N 3.39Å; A191-A194 CarbonylContact O-C 3.57Å; A191-A194 PolarHBondContact O-N 3.41Å; A191-E195 WeakPolarHBondContact O-CB 3.37Å; A191-E195 PolarHBondContact O-N 3.11Å; A191-P436 HydrophobicContact CB-CG 3.79Å
192	E	63.9	Low	57.6	Low	102 Å²	102	76.4 Å²	76.4	48%	0.477	39%	0.394	S	S	.	.	H	α-helix	trans	-67.8	-41	176.5	-165.3	-165.9	152.6	0	0	110.8	A188 A194 E195 K196	A188-E192 WeakPolarHBondContact O-CB 3.45Å; A188-E192 PolarHBondContact O-N 3.15Å; E192-A194 PolarHBondContact O-N 3.37Å; E192-E195 PolarHBondContact O-N 3.3Å; E192-K196 WeakPolarHBondContact O-CG 3.34Å; E192-K196 PolarHBondContact O-N 2.98Å; E192-K196 VanDerWaalsContact O-N 3.08Å; E192-K196 WeakPolarHBondContact OE1-CE 3.41Å; E192-K196 IonicContact OE1-NZ 3.41Å; E192-K196 PolarHBondContact OE1-NZ 2.74Å
193	A	60.6	Low	57.3	Low	36 Å²	36	74.3 Å²	74.3	30%	0.298	39%	0.389	S	S	.	.	H	α-helix	trans	-63.3	-31.6	174.4	0	0	0	0	0	112.2	C189 I190 L197 K236	C189-A193 WeakPolarHBondContact O-CB 3.36Å; C189-A193 PolarHBondContact O-N 3.28Å; I190-A193 PolarHBondContact O-N 3.38Å; A193-L197 WeakPolarHBondContact O-CD1 3.22Å; A193-L197 VanDerWaalsContact O-CG 3.25Å; A193-L197 WeakPolarHBondContact O-CG 3.25Å; A193-K236 PolarHBondContact O-NZ 3.16Å
194	A	57.7	Low	57.3	Low	2 Å²	2	72.4 Å²	72.4	2%	0.017	39%	0.388	C	S	.	.	H	α-helix	trans	-94.6	-21	179.6	0	0	0	0	0	113.6	I190 A191 E192 L197 Q198 L238 P436	I190-A194 VanDerWaalsContact O-CB 3.29Å; I190-A194 WeakPolarHBondContact O-CB 3.31Å; I190-A194 PolarHBondContact O-N 3.37Å; A191-A194 CarbonylContact O-C 3.57Å; A191-A194 PolarHBondContact O-N 3.41Å; E192-A194 PolarHBondContact O-N 3.37Å; A194-L197 WeakPolarHBondContact O-CB 3.28Å; A194-L197 PolarHBondContact O-N 2.94Å; A194-Q198 PolarHBondContact O-N 3.04Å; A194-L238 HydrophobicContact CB-CD1 3.95Å; A194-P436 HydrophobicContact CB-CB 3.19Å; A194-P436 HydrophobicContact CB-CG 4.39Å
195	E	58.5	Low	57.1	Low	67 Å²	67	74.3 Å²	74.3	31%	0.313	40%	0.397	S	S	.	.	H	α-helix	trans	-69.7	-39.8	168.8	-176	168.6	-152.6	0	0	110.9	A191 E192 L197 Q198 R435	A191-E195 WeakPolarHBondContact O-CB 3.37Å; A191-E195 PolarHBondContact O-N 3.11Å; E192-E195 PolarHBondContact O-N 3.3Å; E195-L197 PolarHBondContact O-N 2.96Å; E195-L197 VanDerWaalsContact O-N 3.09Å; E195-Q198 PolarHBondContact O-N 3.27Å; E195-R435 IonicContact OE1-CZ 2.9Å; E195-R435 IonicContact OE1-NE 2.99Å; E195-R435 IonicContact OE1-NH1 3.64Å; E195-R435 PolarHBondContact OE1-NH1 3.04Å
196	K	60.5	Low	56.6	Low	156 Å²	156	77.2 Å²	77.2	68%	0.678	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-20.4	171.7	-74.8	173.2	-174.3	165.1	0	113.5	E192	E192-K196 WeakPolarHBondContact O-CG 3.34Å; E192-K196 PolarHBondContact O-N 2.98Å; E192-K196 VanDerWaalsContact O-N 3.08Å; E192-K196 WeakPolarHBondContact OE1-CE 3.41Å; E192-K196 IonicContact OE1-NZ 3.41Å; E192-K196 PolarHBondContact OE1-NZ 2.74Å
197	L	55.5	Low	56.2	Low	46 Å²	46	78.8 Å²	78.8	24%	0.241	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-4.8	-176.6	-65.2	170.6	0	0	0	114.2	A193 A194 E195 T232 K236	A193-L197 WeakPolarHBondContact O-CD1 3.22Å; A193-L197 VanDerWaalsContact O-CG 3.25Å; A193-L197 WeakPolarHBondContact O-CG 3.25Å; A194-L197 WeakPolarHBondContact O-CB 3.28Å; A194-L197 PolarHBondContact O-N 2.94Å; E195-L197 PolarHBondContact O-N 2.96Å; E195-L197 VanDerWaalsContact O-N 3.09Å; L197-T232 HydrophobicContact CB-CG2 3.97Å; L197-T232 HydrophobicContact CD1-CG2 3.4Å; L197-T232 HydrophobicContact CD2-CG2 3.49Å; L197-T232 VanDerWaalsContact CD2-CG2 3.49Å; L197-T232 HydrophobicContact CG-CG2 3.78Å; L197-K236 HydrophobicContact CD1-CD 3.35Å; L197-K236 HydrophobicContact CD1-CG 4.25Å; L197-K236 HydrophobicContact CG-CD 4.46Å; L197-K236 VanDerWaalsContact CG-NZ 3.26Å
198	Q	61.1	Low	56	Low	39 Å²	39	86.3 Å²	86.3	18%	0.182	45%	0.454	C	S	.	.	S	Bend	trans	-66.2	131.9	179.2	-80.3	-153.2	-28.9	0	0	110.1	A194 E195 K200 R435	A194-Q198 PolarHBondContact O-N 3.04Å; E195-Q198 PolarHBondContact O-N 3.27Å; Q198-K200 PolarHBondContact O-N 3.13Å; Q198-K200 VanDerWaalsContact O-N 3.09Å; Q198-R435 HydrophobicContact CG-CG 4.33Å; Q198-R435 PolarHBondContact NE2-O 3.27Å; Q198-R435 VanDerWaalsContact OE1-CG 3.26Å
199	P	56.3	Low	56	Low	47 Å²	47	85.9 Å²	85.9	31%	0.305	44%	0.443	S	S	.	.			trans	-62.3	117.5	169.5	26.4	-31.3	0	0	0	108	G201 V225	P199-G201 PolarHBondContact O-N 3.44Å; P199-V225 HydrophobicContact CB-CG1 3.55Å; P199-V225 HydrophobicContact CG-CG1 3.69Å
200	K	51.8	Low	56	Low	214 Å²	214	90.5 Å²	90.5	93%	0.93	45%	0.454	S	S	*	.	S	Bend	trans	-75.7	-1.8	178.3	-68.2	-176.4	179.4	177.9	0	112.9	Q198	Q198-K200 PolarHBondContact O-N 3.13Å; Q198-K200 VanDerWaalsContact O-N 3.09Å
201	G	51.8	Low	56.5	Low	34 Å²	34	91.4 Å²	91.4	35%	0.351	46%	0.461	S	S	.	.	S	Bend	trans	-153.4	171.8	-178.8	0	0	0	0	0	113.1	P199	P199-G201 PolarHBondContact O-N 3.44Å
202	Y	51.8	Low	57	Low	97 Å²	97	91.1 Å²	91.1	38%	0.38	46%	0.458	S	S	.	.	S	Bend	trans	-90.7	-11.9	177.5	-58.6	-73.8	0	0	0	113.2	R441 E445	Y202-R441 HydrophobicContact CE1-CG 4.12Å; Y202-E445 HydrophobicContact CE1-CB 4.5Å; Y202-E445 HydrophobicContact CE2-CB 4.43Å; Y202-E445 PolarHBondContact OH-OE1 2.95Å; Y202-E445 PolarHBondContact OH-OE2 3.04Å; Y202-E445 VanDerWaalsContact OH-OE2 3.07Å
203	T	46.7	Very low	57.7	Low	76 Å²	76	94.2 Å²	94.2	47%	0.466	47%	0.471	S	S	.	.	S	Bend	trans	-102	141.8	179.9	42.1	0	0	0	0	110	E205	T203-E205 VanDerWaalsContact C-N 3.32Å; T203-E205 PolarHBondContact O-N 2.95Å
204	L	52.5	Low	58.9	Low	85 Å²	85	93.4 Å²	93.4	45%	0.445	46%	0.461	S	S	.	.			trans	-74.5	81.1	177.2	-71.8	163.4	0	0	0	109.8	S206 L224 V225	L204-S206 VanDerWaalsContact C-N 3.28Å; L204-L224 HydrophobicContact CD1-CB 4.05Å; L204-L224 HydrophobicContact CD1-CD1 3.98Å; L204-V225 HydrophobicContact CD2-CG2 4.16Å; L204-V225 HydrophobicContact CG-CG2 4.28Å
205	E	48.9	Very low	60.2	Low	169 Å²	169	94.1 Å²	94.1	79%	0.79	47%	0.465	S	S	*	.			trans	-87.7	3.3	171.1	-69.8	179.6	-173.1	0	0	112.2	T203	T203-E205 VanDerWaalsContact C-N 3.32Å; T203-E205 PolarHBondContact O-N 2.95Å
206	S	44.2	Very low	61.5	Low	91 Å²	91	97.2 Å²	97.2	64%	0.636	48%	0.477	S	S	*	.	S	Bend	trans	-152.5	120.7	-176.3	-49.2	0	0	0	0	111.6	L204	L204-S206 VanDerWaalsContact C-N 3.28Å
207	E	53.7	Low	62.8	Low	148 Å²	148	94 Å²	94	69%	0.692	46%	0.464	S	S	*	.			trans	65.7	105.9	174.4	-59	-172.6	-177.5	0	0	117.9	I209	E207-I209 PolarHBondContact O-N 2.76Å
208	E	54.4	Low	64.3	Low	198 Å²	198	101.4 Å²	101.4	93%	0.925	49%	0.494	S	S	*	.			trans	-66.3	90.6	168.5	-70.8	-173.9	167.5	0	0	110.8	K210	E208-K210 PolarHBondContact O-N 3.26Å
209	I	60.1	Low	65.5	Low	46 Å²	46	100.5 Å²	100.5	24%	0.236	49%	0.491	C	S	.	.			trans	-68.5	125.1	167.8	-65.7	-172.3	0	0	0	109	E207 V211 H228 I231	E207-I209 PolarHBondContact O-N 2.76Å; I209-V211 PolarHBondContact O-N 2.83Å; I209-V211 VanDerWaalsContact O-N 3.12Å; I209-H228 HydrophobicContact CD1-CB 3.87Å; I209-H228 WeakPolarHBondContact CD1-CD2 3.42Å; I209-I231 HydrophobicContact CD1-CD1 3.98Å; I209-I231 HydrophobicContact CG2-CD1 4.3Å
210	K	65	Low	66.9	Low	183 Å²	183	103 Å²	103	80%	0.796	49%	0.494	S	S	*	.			trans	-60.8	114.8	169.5	-69.9	-178.2	-178.1	176.9	0	109.3	E208	E208-K210 PolarHBondContact O-N 3.26Å
211	V	70.2	Confident	68.4	Low	70 Å²	70	99.1 Å²	99.1	42%	0.424	48%	0.479	S	S	.	.			trans	-58.7	131.3	172.9	-178.1	0	0	0	0	108.6	I209 F213 L215 L224	I209-V211 PolarHBondContact O-N 2.83Å; I209-V211 VanDerWaalsContact O-N 3.12Å; V211-F213 PolarHBondContact O-N 3.34Å; V211-L215 HydrophobicContact CG1-CD1 3.92Å; V211-L224 HydrophobicContact CG2-CD2 3.9Å
212	P	72.1	Confident	70	Confident	7 Å²	7	98 Å²	98	5%	0.045	47%	0.465	C	S	.	.			trans	-54	128.8	179.5	-26.7	32.1	0	0	0	111.9	L214 L215 A259 H260	P212-L214 PolarHBondContact O-N 2.98Å; P212-L215 HydrophobicContact CB-CD1 4.19Å; P212-L215 HydrophobicContact CB-CG 4.45Å; P212-L215 HydrophobicContact CG-CD1 4.08Å; P212-L215 PolarHBondContact O-N 3.39Å; P212-L215 VanDerWaalsContact O-N 3.08Å; P212-A259 HydrophobicContact CB-CB 4.01Å; P212-A259 HydrophobicContact CG-CB 4.34Å; P212-H260 HydrophobicContact CG-CB 3.64Å
213	F	79.2	Confident	71.8	Confident	168 Å²	168	93.9 Å²	93.9	74%	0.737	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.1	179.9	74	-93.4	0	0	0	113.1	V211 L215 C263	V211-F213 PolarHBondContact O-N 3.34Å; F213-L215 VanDerWaalsContact C-N 3.26Å; F213-L215 PolarHBondContact O-N 3.42Å; F213-C263 VanDerWaalsContact CD1-SG 3.58Å; F213-C263 HydrophobicContact CE1-CB 4.25Å; F213-C263 WeakPolarHBondContact CE1-SG 3.42Å
214	L	84.1	Confident	73.7	Confident	18 Å²	18	92.1 Å²	92.1	9%	0.094	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-13.7	178.2	-67.7	174.1	0	0	0	113.8	P212 A259 A262 C263 W268 C291	P212-L214 PolarHBondContact O-N 2.98Å; L214-A259 HydrophobicContact CB-CB 4.36Å; L214-A262 HydrophobicContact CD1-CB 4.2Å; L214-C263 WeakPolarHBondContact CD1-SG 3.19Å; L214-W268 HydrophobicContact CD1-CH2 4.09Å; L214-C291 PolarHBondContact O-SG 3.06Å; L214-C291 VanDerWaalsContact O-SG 3.39Å
215	L	86.3	Confident	75.2	Confident	17 Å²	17	88.6 Å²	88.6	9%	0.089	42%	0.418	C	S	.	.			trans	-84.7	120.9	177.8	-71.9	163.8	0	0	0	110.2	V211 P212 F213 H217 L219 I255 A256 A259 W290 C291	V211-L215 HydrophobicContact CG1-CD1 3.92Å; P212-L215 HydrophobicContact CB-CD1 4.19Å; P212-L215 HydrophobicContact CB-CG 4.45Å; P212-L215 HydrophobicContact CG-CD1 4.08Å; P212-L215 PolarHBondContact O-N 3.39Å; P212-L215 VanDerWaalsContact O-N 3.08Å; F213-L215 VanDerWaalsContact C-N 3.26Å; F213-L215 PolarHBondContact O-N 3.42Å; L215-H217 VanDerWaalsContact C-N 3.34Å; L215-H217 PolarHBondContact O-N 3.46Å; L215-L219 HydrophobicContact CD1-CD1 4.12Å; L215-I255 HydrophobicContact CD2-CG2 4.46Å; L215-A256 HydrophobicContact CD1-CB 3.88Å; L215-A256 HydrophobicContact CD2-CB 4.35Å; L215-A259 HydrophobicContact CG-CB 4.28Å; L215-W290 HydrophobicContact CD2-CE3 4.42Å; L215-C291 WeakPolarHBondContact CD2-SG 3.48Å
216	K	86.2	Confident	77	Confident	133 Å²	133	80.5 Å²	80.5	58%	0.578	38%	0.381	S	S	*	.	S	Bend	trans	-70.3	-27.5	178.7	-77.2	-179.2	165.9	175.4	0	114.4	K289 W290 P292	K216-K289 WeakPolarHBondContact CD-O 3.13Å; K216-W290 PolarHBondContact N-O 3.28Å; K216-W290 VanDerWaalsContact N-O 3.07Å; K216-P292 HydrophobicContact CD-CG 4.31Å
217	H	86.2	Confident	79.1	Confident	88 Å²	88	76.3 Å²	76.3	41%	0.407	35%	0.351	S	S	.	.	S	Bend	trans	-122.6	153.8	-170.9	-61.2	-66.3	0	0	0	111.2	L215 W290	L215-H217 VanDerWaalsContact C-N 3.34Å; L215-H217 PolarHBondContact O-N 3.46Å; H217-W290 HydrophobicContact CB-CD2 4.48Å; H217-W290 HydrophobicContact CB-CE3 3.77Å; H217-W290 HydrophobicContact CB-CH2 3.84Å; H217-W290 HydrophobicContact CB-CZ3 3.43Å; H217-W290 VanDerWaalsContact CB-CZ3 3.43Å
218	K	87.3	Confident	80.7	Confident	201 Å²	201	71.4 Å²	71.4	87%	0.874	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-75.7	138.4	177.9	-63.7	-175.1	177.9	-175.9	0	111
219	L	87	Confident	82.2	Confident	20 Å²	20	62.1 Å²	62.1	11%	0.105	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-85.4	151.7	174	-63	174.7	0	0	0	110.5	L215 Q223 L224 L227 I252 A256 W290	L215-L219 HydrophobicContact CD1-CD1 4.12Å; L219-Q223 HydrophobicContact CB-CB 4.24Å; L219-L224 HydrophobicContact CB-CD2 3.88Å; L219-L224 HydrophobicContact CB-CG 4.05Å; L219-L224 HydrophobicContact CD1-CD2 3.87Å; L219-L224 HydrophobicContact CG-CD2 4.47Å; L219-L227 HydrophobicContact CD1-CD2 4.03Å; L219-I252 HydrophobicContact CD2-CG2 3.34Å; L219-A256 HydrophobicContact CD1-CB 3.81Å; L219-W290 HydrophobicContact CD2-CZ3 3.9Å
220	R	86.1	Confident	83.6	Confident	101 Å²	101	60.1 Å²	60.1	38%	0.381	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-75.3	158.3	171.7	-61.6	-176.5	-177.2	-162.7	-1.8	110.6	Y222 Q223 L224 E447	R220-Y222 HydrophobicContact CB-CD1 3.71Å; R220-Y222 HydrophobicContact CB-CE1 3.46Å; R220-Y222 VanDerWaalsContact CB-CE1 3.46Å; R220-Y222 VanDerWaalsContact CD-CE1 3.46Å; R220-Y222 HydrophobicContact CG-CE1 4.07Å; R220-Y222 PolarHBondContact O-N 3.35Å; R220-Q223 HydrophobicContact CB-CG 4.15Å; R220-Q223 WeakPolarHBondContact O-CA 3.48Å; R220-Q223 VanDerWaalsContact O-CB 3.31Å; R220-Q223 WeakPolarHBondContact O-CB 3.2Å; R220-Q223 PolarHBondContact O-N 3.3Å; R220-L224 PolarHBondContact O-N 3.34Å; R220-E447 IonicContact CZ-OE1 3.82Å; R220-E447 IonicContact NE-OE1 3.44Å; R220-E447 VanDerWaalsContact NH1-CD 3.3Å; R220-E447 IonicContact NH1-OE1 2.7Å; R220-E447 PolarHBondContact NH1-OE1 2.9Å; R220-E447 IonicContact NH1-OE2 2.83Å
221	E	83.5	Confident	84.7	Confident	132 Å²	132	51.6 Å²	51.6	62%	0.617	24%	0.237	S	C	*	.	H	α-helix	trans	-54.7	-49.9	-175.6	-66.9	178.1	-177.9	0	0	112.9	Q223 L224 V225	E221-Q223 PolarHBondContact O-N 3.08Å; E221-L224 WeakPolarHBondContact O-CB 3.45Å; E221-L224 PolarHBondContact O-N 3.13Å; E221-V225 PolarHBondContact O-N 3.23Å
222	Y	84.8	Confident	85.4	Confident	10 Å²	10	49 Å²	49	4%	0.039	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-35.3	176	71.7	-88.8	0	0	0	111.9	R220 L224 V225 G226 L248 R441 V446	R220-Y222 HydrophobicContact CB-CD1 3.71Å; R220-Y222 HydrophobicContact CB-CE1 3.46Å; R220-Y222 VanDerWaalsContact CB-CE1 3.46Å; R220-Y222 VanDerWaalsContact CD-CE1 3.46Å; R220-Y222 HydrophobicContact CG-CE1 4.07Å; R220-Y222 PolarHBondContact O-N 3.35Å; Y222-L224 VanDerWaalsContact C-N 3.28Å; Y222-L224 PolarHBondContact O-N 3.15Å; Y222-V225 PolarHBondContact O-N 2.89Å; Y222-G226 PolarHBondContact O-N 3.09Å; Y222-L248 HydrophobicContact CE2-CB 3.93Å; Y222-L248 HydrophobicContact CE2-CD2 3.97Å; Y222-L248 HydrophobicContact CE2-CG 4.5Å; Y222-L248 WeakPolarHBondContact CE2-O 3.36Å; Y222-L248 PolarHBondContact OH-O 3.07Å; Y222-R441 PolarHBondContact O-NH1 3.23Å; Y222-V446 HydrophobicContact CD1-CB 4.5Å; Y222-V446 HydrophobicContact CD1-CG1 3.01Å; Y222-V446 HydrophobicContact CD2-CG1 3.78Å; Y222-V446 HydrophobicContact CE1-CG1 3.4Å; Y222-V446 HydrophobicContact CE2-CG1 4.14Å; Y222-V446 HydrophobicContact CG-CB 4.48Å; Y222-V446 HydrophobicContact CG-CG1 3.2Å; Y222-V446 HydrophobicContact CG-CG2 4.47Å
223	Q	88.8	Confident	86	Confident	10 Å²	10	49.1 Å²	49.1	5%	0.047	22%	0.222	C	C	.	.	H	α-helix	trans	-66.8	-34.5	177.9	-60.9	175.7	-25.9	0	0	111.1	L219 R220 E221 G226 L227 L248 Q253	L219-Q223 HydrophobicContact CB-CB 4.24Å; R220-Q223 HydrophobicContact CB-CG 4.15Å; R220-Q223 WeakPolarHBondContact O-CA 3.48Å; R220-Q223 VanDerWaalsContact O-CB 3.31Å; R220-Q223 WeakPolarHBondContact O-CB 3.2Å; R220-Q223 PolarHBondContact O-N 3.3Å; E221-Q223 PolarHBondContact O-N 3.08Å; Q223-G226 PolarHBondContact O-N 3Å; Q223-L227 WeakPolarHBondContact O-CB 3.49Å; Q223-L227 PolarHBondContact O-N 2.93Å; Q223-L248 PolarHBondContact NE2-O 3.49Å; Q223-Q253 HydrophobicContact CB-CG 4.09Å; Q223-Q253 HydrophobicContact CG-CG 4.32Å
224	L	86.4	Confident	86.4	Confident	40 Å²	40	42 Å²	42	21%	0.209	19%	0.191	C	C	.	.	H	α-helix	trans	-65.7	-42.9	172.5	-65.4	169.8	0	0	0	111.6	L204 V211 L219 R220 E221 Y222 G226 L227 H228	L204-L224 HydrophobicContact CD1-CB 4.05Å; L204-L224 HydrophobicContact CD1-CD1 3.98Å; V211-L224 HydrophobicContact CG2-CD2 3.9Å; L219-L224 HydrophobicContact CB-CD2 3.88Å; L219-L224 HydrophobicContact CB-CG 4.05Å; L219-L224 HydrophobicContact CD1-CD2 3.87Å; L219-L224 HydrophobicContact CG-CD2 4.47Å; R220-L224 PolarHBondContact O-N 3.34Å; E221-L224 WeakPolarHBondContact O-CB 3.45Å; E221-L224 PolarHBondContact O-N 3.13Å; Y222-L224 VanDerWaalsContact C-N 3.28Å; Y222-L224 PolarHBondContact O-N 3.15Å; L224-G226 VanDerWaalsContact C-N 3.3Å; L224-G226 PolarHBondContact O-N 3.43Å; L224-L227 WeakPolarHBondContact O-CB 3.19Å; L224-L227 PolarHBondContact O-N 3.4Å; L224-H228 WeakPolarHBondContact O-CB 3.25Å; L224-H228 PolarHBondContact O-N 3Å
225	V	84.7	Confident	86.5	Confident	10 Å²	10	48.4 Å²	48.4	6%	0.061	21%	0.214	C	C	.	.	H	α-helix	trans	-60.7	-41.3	173.9	176.5	0	0	0	0	111.3	P199 L204 E221 Y222 H228 W229	P199-V225 HydrophobicContact CB-CG1 3.55Å; P199-V225 HydrophobicContact CG-CG1 3.69Å; L204-V225 HydrophobicContact CD2-CG2 4.16Å; L204-V225 HydrophobicContact CG-CG2 4.28Å; E221-V225 PolarHBondContact O-N 3.23Å; Y222-V225 PolarHBondContact O-N 2.89Å; V225-H228 PolarHBondContact O-N 3.08Å; V225-W229 PolarHBondContact O-N 2.72Å
226	G	86.8	Confident	86.3	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.8	-41.7	175.7	0	0	0	0	0	112.4	Y222 Q223 L224 W229 L230	Y222-G226 PolarHBondContact O-N 3.09Å; Q223-G226 PolarHBondContact O-N 3Å; L224-G226 VanDerWaalsContact C-N 3.3Å; L224-G226 PolarHBondContact O-N 3.43Å; G226-W229 PolarHBondContact O-N 3.06Å; G226-L230 WeakPolarHBondContact O-CG 3.38Å; G226-L230 PolarHBondContact O-N 2.95Å
227	L	89.2	Confident	86.2	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-62.2	-46.7	174.6	177.7	62.2	0	0	0	111.5	L219 Q223 L224 W229 L230 I231 A256 L257	L219-L227 HydrophobicContact CD1-CD2 4.03Å; Q223-L227 WeakPolarHBondContact O-CB 3.49Å; Q223-L227 PolarHBondContact O-N 2.93Å; L224-L227 WeakPolarHBondContact O-CB 3.19Å; L224-L227 PolarHBondContact O-N 3.4Å; L227-W229 VanDerWaalsContact C-N 3.31Å; L227-W229 PolarHBondContact O-N 2.85Å; L227-L230 PolarHBondContact O-N 2.85Å; L227-L230 VanDerWaalsContact O-N 3.15Å; L227-I231 HydrophobicContact CD1-CD1 3.98Å; L227-I231 HydrophobicContact CD1-CG1 4.2Å; L227-I231 HydrophobicContact CD2-CD1 4.45Å; L227-I231 HydrophobicContact CG-CD1 3.73Å; L227-I231 HydrophobicContact CG-CG1 4.41Å; L227-I231 VanDerWaalsContact O-CG1 3.25Å; L227-I231 WeakPolarHBondContact O-CG1 3.42Å; L227-I231 PolarHBondContact O-N 3.35Å; L227-A256 HydrophobicContact CD1-CB 3.94Å; L227-A256 HydrophobicContact CD2-CB 3.99Å; L227-L257 HydrophobicContact CD1-CB 4.1Å
228	H	85.9	Confident	86.2	Confident	45 Å²	45	44.3 Å²	44.3	21%	0.208	20%	0.203	C	C	.	.	H	α-helix	trans	-55.8	-46.5	176.1	179.4	-72.6	0	0	0	111.4	I209 L224 V225 L230 I231 T232	I209-H228 HydrophobicContact CD1-CB 3.87Å; I209-H228 WeakPolarHBondContact CD1-CD2 3.42Å; L224-H228 WeakPolarHBondContact O-CB 3.25Å; L224-H228 PolarHBondContact O-N 3Å; V225-H228 PolarHBondContact O-N 3.08Å; H228-L230 PolarHBondContact O-N 3.44Å; H228-I231 PolarHBondContact O-N 3.31Å; H228-T232 PolarHBondContact CE1-OG1 3.19Å; H228-T232 WeakPolarHBondContact O-CB 3.3Å; H228-T232 PolarHBondContact O-N 3.29Å; H228-T232 PolarHBondContact O-OG1 3.11Å
229	W	85.9	Confident	86.3	Confident	4 Å²	4	36 Å²	36	2%	0.015	17%	0.167	C	C	.	.	H	α-helix	trans	-59.7	-44.8	176.3	179.6	77.3	0	0	0	112	V225 G226 L227 T232 L233 I241 L242 L439	V225-W229 PolarHBondContact O-N 2.72Å; G226-W229 PolarHBondContact O-N 3.06Å; L227-W229 VanDerWaalsContact C-N 3.31Å; L227-W229 PolarHBondContact O-N 2.85Å; W229-T232 WeakPolarHBondContact O-CB 3.43Å; W229-T232 PolarHBondContact O-N 3.14Å; W229-L233 HydrophobicContact CD2-CD1 3.9Å; W229-L233 HydrophobicContact CD2-CG 4.43Å; W229-L233 HydrophobicContact CE3-CD1 3.86Å; W229-L233 HydrophobicContact CH2-CD1 3.51Å; W229-L233 HydrophobicContact CZ2-CD1 3.53Å; W229-L233 HydrophobicContact CZ2-CG 4.38Å; W229-L233 HydrophobicContact CZ3-CD1 3.67Å; W229-L233 WeakPolarHBondContact O-CG 3.32Å; W229-L233 PolarHBondContact O-N 3.48Å; W229-I241 WeakPolarHBondContact CH2-O 3.32Å; W229-L242 HydrophobicContact CZ3-CD1 4.41Å; W229-L439 HydrophobicContact CB-CD2 4.27Å; W229-L439 HydrophobicContact CD2-CB 3.96Å; W229-L439 HydrophobicContact CD2-CD2 3.86Å; W229-L439 HydrophobicContact CD2-CG 4.44Å; W229-L439 HydrophobicContact CE3-CB 3.82Å; W229-L439 HydrophobicContact CE3-CD2 3.67Å; W229-L439 HydrophobicContact CE3-CG 4.38Å; W229-L439 HydrophobicContact CG-CD2 4.14Å; W229-L439 HydrophobicContact CH2-CB 3.65Å; W229-L439 HydrophobicContact CZ2-CB 3.78Å; W229-L439 HydrophobicContact CZ3-CB 3.67Å; W229-L439 HydrophobicContact CZ3-CD2 4.27Å
230	L	89.2	Confident	86.3	Confident	4 Å²	4	35.1 Å²	35.1	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-64.7	-40.5	177.3	-70.5	172	0	0	0	113.3	G226 L227 H228 T232 L233 N234 Q253 L257 L372	G226-L230 WeakPolarHBondContact O-CG 3.38Å; G226-L230 PolarHBondContact O-N 2.95Å; L227-L230 PolarHBondContact O-N 2.85Å; L227-L230 VanDerWaalsContact O-N 3.15Å; H228-L230 PolarHBondContact O-N 3.44Å; L230-T232 VanDerWaalsContact C-N 3.32Å; L230-L233 PolarHBondContact O-N 3.2Å; L230-N234 PolarHBondContact O-N 3.26Å; L230-Q253 HydrophobicContact CD1-CB 4.48Å; L230-L257 HydrophobicContact CB-CD1 3.87Å; L230-L257 HydrophobicContact CB-CD2 4.1Å; L230-L257 HydrophobicContact CB-CG 4.42Å; L230-L257 HydrophobicContact CD1-CB 4.4Å; L230-L257 HydrophobicContact CD1-CD2 4.29Å; L230-L372 HydrophobicContact CD2-CD1 3.6Å; L230-L372 HydrophobicContact CD2-CD2 4.36Å
231	I	88.3	Confident	86.5	Confident	3 Å²	3	30.3 Å²	30.3	2%	0.015	15%	0.146	C	C	.	.	H	α-helix	trans	-62.3	-45	176.3	-67.6	163.5	0	0	0	109.9	I209 L227 H228 L233 N234 R235 L257 H260	I209-I231 HydrophobicContact CD1-CD1 3.98Å; I209-I231 HydrophobicContact CG2-CD1 4.3Å; L227-I231 HydrophobicContact CD1-CD1 3.98Å; L227-I231 HydrophobicContact CD1-CG1 4.2Å; L227-I231 HydrophobicContact CD2-CD1 4.45Å; L227-I231 HydrophobicContact CG-CD1 3.73Å; L227-I231 HydrophobicContact CG-CG1 4.41Å; L227-I231 VanDerWaalsContact O-CG1 3.25Å; L227-I231 WeakPolarHBondContact O-CG1 3.42Å; L227-I231 PolarHBondContact O-N 3.35Å; H228-I231 PolarHBondContact O-N 3.31Å; I231-L233 PolarHBondContact O-N 2.91Å; I231-N234 PolarHBondContact O-N 3.18Å; I231-N234 VanDerWaalsContact O-N 3.15Å; I231-R235 HydrophobicContact CG2-CG 4.44Å; I231-R235 WeakPolarHBondContact O-CG 3.38Å; I231-R235 PolarHBondContact O-N 3.05Å; I231-L257 HydrophobicContact CG1-CD1 4.14Å; I231-H260 HydrophobicContact CD1-CB 4.42Å; I231-H260 VanDerWaalsContact CD1-CE1 3.45Å; I231-H260 WeakPolarHBondContact CD1-CE1 3.17Å; I231-H260 WeakPolarHBondContact CD1-NE2 3.3Å; I231-H260 VanDerWaalsContact CG1-CD2 3.45Å; I231-H260 WeakPolarHBondContact CG1-CD2 3.39Å; I231-H260 WeakPolarHBondContact CG2-NE2 3.14Å
232	T	84.6	Confident	86.9	Confident	17 Å²	17	24 Å²	24	10%	0.104	12%	0.116	C	C	.	.	H	α-helix	trans	-60.4	-44.5	178.6	-62.4	0	0	0	0	111.8	L197 H228 W229 L230 N234 R235 K236	L197-T232 HydrophobicContact CB-CG2 3.97Å; L197-T232 HydrophobicContact CD1-CG2 3.4Å; L197-T232 HydrophobicContact CD2-CG2 3.49Å; L197-T232 VanDerWaalsContact CD2-CG2 3.49Å; L197-T232 HydrophobicContact CG-CG2 3.78Å; H228-T232 PolarHBondContact CE1-OG1 3.19Å; H228-T232 WeakPolarHBondContact O-CB 3.3Å; H228-T232 PolarHBondContact O-N 3.29Å; H228-T232 PolarHBondContact O-OG1 3.11Å; W229-T232 WeakPolarHBondContact O-CB 3.43Å; W229-T232 PolarHBondContact O-N 3.14Å; L230-T232 VanDerWaalsContact C-N 3.32Å; T232-N234 VanDerWaalsContact C-N 3.32Å; T232-N234 PolarHBondContact O-N 3Å; T232-R235 PolarHBondContact O-N 3.24Å; T232-K236 PolarHBondContact O-N 3.32Å; T232-K236 VanDerWaalsContact O-N 3.11Å
233	L	86	Confident	87	Confident	8 Å²	8	23.6 Å²	23.6	4%	0.042	11%	0.114	C	C	.	.	H	α-helix	trans	-58.8	-44.4	173.7	-74.5	176.2	0	0	0	111.6	W229 L230 I231 K236 G237 L238	W229-L233 HydrophobicContact CD2-CD1 3.9Å; W229-L233 HydrophobicContact CD2-CG 4.43Å; W229-L233 HydrophobicContact CE3-CD1 3.86Å; W229-L233 HydrophobicContact CH2-CD1 3.51Å; W229-L233 HydrophobicContact CZ2-CD1 3.53Å; W229-L233 HydrophobicContact CZ2-CG 4.38Å; W229-L233 HydrophobicContact CZ3-CD1 3.67Å; W229-L233 WeakPolarHBondContact O-CG 3.32Å; W229-L233 PolarHBondContact O-N 3.48Å; L230-L233 PolarHBondContact O-N 3.2Å; I231-L233 PolarHBondContact O-N 2.91Å; L233-K236 PolarHBondContact O-N 3.39Å; L233-G237 PolarHBondContact O-N 2.96Å; L233-L238 HydrophobicContact CD2-CB 3.91Å; L233-L238 HydrophobicContact CD2-CD1 4.42Å; L233-L238 PolarHBondContact O-N 3.36Å
234	N	87.3	Confident	86.9	Confident	18 Å²	18	23.1 Å²	23.1	10%	0.096	11%	0.112	C	C	.	.	H	α-helix	trans	-64.7	-43	179.2	-173.9	44	0	0	0	112.7	L230 I231 T232 K236 G237 L261 Y343 R370	L230-N234 PolarHBondContact O-N 3.26Å; I231-N234 PolarHBondContact O-N 3.18Å; I231-N234 VanDerWaalsContact O-N 3.15Å; T232-N234 VanDerWaalsContact C-N 3.32Å; T232-N234 PolarHBondContact O-N 3Å; N234-K236 VanDerWaalsContact C-N 3.32Å; N234-K236 PolarHBondContact O-N 2.98Å; N234-G237 WeakPolarHBondContact O-CA 3.32Å; N234-G237 PolarHBondContact O-N 2.99Å; N234-L261 WeakPolarHBondContact ND2-CD2 2.98Å; N234-Y343 WeakPolarHBondContact CB-OH 3.09Å; N234-Y343 PolarHBondContact OD1-OH 3.07Å; N234-R370 PolarHBondContact OD1-NE 2.88Å
235	R	86.7	Confident	86.7	Confident	153 Å²	153	22.7 Å²	22.7	58%	0.577	11%	0.109	S	C	*	.	H	α-helix	trans	-60.1	-40.1	178	-73.7	179.9	179.5	169.1	0.8	111.9	I231 T232 G237 E264	I231-R235 HydrophobicContact CG2-CG 4.44Å; I231-R235 WeakPolarHBondContact O-CG 3.38Å; I231-R235 PolarHBondContact O-N 3.05Å; T232-R235 PolarHBondContact O-N 3.24Å; R235-G237 VanDerWaalsContact C-N 3.27Å; R235-E264 IonicContact CZ-OE2 3.99Å; R235-E264 IonicContact NH2-OE1 3.91Å; R235-E264 IonicContact NH2-OE2 2.67Å; R235-E264 PolarHBondContact NH2-OE2 3.28Å
236	K	81.7	Confident	86.6	Confident	100 Å²	100	22.6 Å²	22.6	44%	0.435	11%	0.108	S	C	.	.	H	α-helix	trans	-79.9	-9.5	174.7	-67.4	-156.5	179.4	178	0	114.4	A193 L197 T232 L233 N234 L238	A193-K236 PolarHBondContact O-NZ 3.16Å; L197-K236 HydrophobicContact CD1-CD 3.35Å; L197-K236 HydrophobicContact CD1-CG 4.25Å; L197-K236 HydrophobicContact CG-CD 4.46Å; L197-K236 VanDerWaalsContact CG-NZ 3.26Å; T232-K236 PolarHBondContact O-N 3.32Å; T232-K236 VanDerWaalsContact O-N 3.11Å; L233-K236 PolarHBondContact O-N 3.39Å; N234-K236 VanDerWaalsContact C-N 3.32Å; N234-K236 PolarHBondContact O-N 2.98Å; K236-L238 HydrophobicContact CB-CD1 4.32Å; K236-L238 HydrophobicContact CB-CG 4.21Å
237	G	84.7	Confident	86.2	Confident	24 Å²	24	23.2 Å²	23.2	25%	0.247	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	34.3	-177.7	0	0	0	0	0	116.3	L233 N234 R235 R370	L233-G237 PolarHBondContact O-N 2.96Å; N234-G237 WeakPolarHBondContact O-CA 3.32Å; N234-G237 PolarHBondContact O-N 2.99Å; R235-G237 VanDerWaalsContact C-N 3.27Å; G237-R370 PolarHBondContact O-NH1 3.19Å
238	L	85	Confident	85.9	Confident	29 Å²	29	23.1 Å²	23.1	15%	0.152	11%	0.114	C	C	.	.			trans	-98.4	154.4	173.8	-59.5	176.7	0	0	0	110.5	I190 A194 L233 K236	I190-L238 HydrophobicContact CG2-CD1 4.17Å; I190-L238 HydrophobicContact CG2-CD2 3.75Å; A194-L238 HydrophobicContact CB-CD1 3.95Å; L233-L238 HydrophobicContact CD2-CB 3.91Å; L233-L238 HydrophobicContact CD2-CD1 4.42Å; L233-L238 PolarHBondContact O-N 3.36Å; K236-L238 HydrophobicContact CB-CD1 4.32Å; K236-L238 HydrophobicContact CB-CG 4.21Å
239	N	90.1	Very high	86	Confident	25 Å²	25	21.5 Å²	21.5	13%	0.134	11%	0.109	C	C	.	.			trans	-98.2	154.1	171.5	-62.4	-37.3	0	0	0	109.1	R371 L393	N239-R371 HydrophobicContact CB-CB 4.41Å; N239-R371 VanDerWaalsContact CB-O 3.31Å; N239-R371 WeakPolarHBondContact CB-O 3.5Å; N239-R371 PolarHBondContact OD1-N 2.94Å; N239-R371 PolarHBondContact OD1-O 3.38Å; N239-L393 HydrophobicContact CB-CB 4.26Å; N239-L393 HydrophobicContact CB-CD2 3.58Å; N239-L393 PolarHBondContact ND2-O 3.07Å
240	G	86.9	Confident	86.2	Confident	2 Å²	2	22 Å²	22	2%	0.021	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	164.9	-177.1	0	0	0	0	0	114.3	L373 F437	G240-L373 PolarHBondContact O-N 3.42Å; G240-L373 VanDerWaalsContact O-N 3.16Å; G240-F437 CarbonylContact C-O 3.53Å; G240-F437 WeakPolarHBondContact CA-O 3.36Å
241	I	90	Very high	86.3	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	119.7	173.1	-53.5	-178.4	0	0	0	108.6	W229 A243 L373 T375 L389 M390 L393 F437 L438 L439	W229-I241 WeakPolarHBondContact CH2-O 3.32Å; I241-A243 HydrophobicContact CG2-CB 4.25Å; I241-A243 PolarHBondContact O-N 3.43Å; I241-L373 CarbonylContact C-O 3.53Å; I241-L373 WeakPolarHBondContact CA-O 3.47Å; I241-L373 HydrophobicContact CD1-CD1 4.45Å; I241-L373 HydrophobicContact CG1-CB 4.19Å; I241-L373 HydrophobicContact CG1-CD1 4.28Å; I241-L373 HydrophobicContact CG2-CB 4.38Å; I241-T375 HydrophobicContact CG2-CG2 3.8Å; I241-L389 HydrophobicContact CD1-CB 4.2Å; I241-M390 HydrophobicContact CD1-CE 3.8Å; I241-M390 HydrophobicContact CG1-CE 4.39Å; I241-L393 HydrophobicContact CD1-CD1 3.61Å; I241-L393 HydrophobicContact CG1-CD1 3.34Å; I241-F437 PolarHBondContact N-O 3.13Å; I241-L438 HydrophobicContact CB-CD1 3.7Å; I241-L438 HydrophobicContact CD1-CD1 4.27Å; I241-L438 HydrophobicContact CG2-CD1 3.63Å; I241-L439 PolarHBondContact O-N 3.05Å
242	L	90.8	Very high	86.5	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	101	167.5	-169.3	67	0	0	0	108.8	W229 K250 Q253 L373 L374 T375 L439	W229-L242 HydrophobicContact CZ3-CD1 4.41Å; L242-K250 HydrophobicContact CD2-CB 3.93Å; L242-K250 HydrophobicContact CD2-CD 4.42Å; L242-K250 HydrophobicContact CD2-CG 3.81Å; L242-K250 HydrophobicContact CG-CD 4.36Å; L242-K250 HydrophobicContact CG-CG 4.15Å; L242-Q253 HydrophobicContact CD2-CB 4.3Å; L242-L373 PolarHBondContact N-O 3.4Å; L242-L374 HydrophobicContact CB-CD2 3.77Å; L242-L374 HydrophobicContact CD2-CD2 4.01Å; L242-L374 HydrophobicContact CG-CD2 4.49Å; L242-T375 PolarHBondContact O-N 3.2Å; L242-T375 VanDerWaalsContact O-O 3.13Å; L242-L439 HydrophobicContact CD1-CB 4.31Å; L242-L439 HydrophobicContact CD1-CD2 3.88Å; L242-L439 HydrophobicContact CD1-CG 4.33Å
243	A	87.7	Confident	86.9	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.			trans	-103.4	22.1	-174.9	0	0	0	0	0	113.4	I241 T375 P378 L438 L439 R440	I241-A243 HydrophobicContact CG2-CB 4.25Å; I241-A243 PolarHBondContact O-N 3.43Å; A243-T375 CarbonylContact C-O 3.55Å; A243-T375 VanDerWaalsContact CA-O 3.31Å; A243-T375 WeakPolarHBondContact CA-O 3.4Å; A243-T375 HydrophobicContact CB-CG2 4.19Å; A243-P378 HydrophobicContact CB-CG 3.65Å; A243-L438 HydrophobicContact CB-CD1 3.45Å; A243-L438 VanDerWaalsContact CB-CD1 3.45Å; A243-L438 HydrophobicContact CB-CG 4.09Å; A243-L439 CarbonylContact C-O 3.55Å; A243-L439 WeakPolarHBondContact CA-O 3.28Å; A243-L439 WeakPolarHBondContact CB-O 3.44Å; A243-L439 PolarHBondContact N-O 3.49Å; A243-R440 HydrophobicContact CB-CB 4.09Å; A243-R440 WeakPolarHBondContact O-CG 3.37Å
244	D	87	Confident	87.3	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-53	143.4	174	-76.4	-14.1	0	0	0	112	L248 K250 Q253 R441	D244-L248 HydrophobicContact CB-CB 4.14Å; D244-L248 HydrophobicContact CB-CD1 3.96Å; D244-K250 HydrophobicContact CB-CD 4.15Å; D244-K250 HydrophobicContact CB-CG 3.87Å; D244-K250 PolarHBondContact O-NZ 3Å; D244-Q253 PolarHBondContact OD2-NE2 2.99Å; D244-R441 VanDerWaalsContact CG-NH2 3.34Å; D244-R441 IonicContact OD1-CZ 3.24Å; D244-R441 IonicContact OD1-NE 3.72Å; D244-R441 PolarHBondContact OD1-NE 3.37Å; D244-R441 IonicContact OD1-NH2 3.88Å; D244-R441 PolarHBondContact OD1-NH2 3.42Å; D244-R441 IonicContact OD2-CZ 3.17Å; D244-R441 IonicContact OD2-NE 3.76Å; D244-R441 IonicContact OD2-NH2 3.91Å; D244-R441 PolarHBondContact OD2-NH2 3.01Å
245	E	82.3	Confident	87.7	Confident	31 Å²	31	22.2 Å²	22.2	15%	0.145	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-52.6	150	172.5	-162.8	-178.9	151.7	0	0	111.9	G247 L248 R441 L442 K443	E245-G247 PolarHBondContact O-N 3.39Å; E245-L248 HydrophobicContact CB-CD1 4.1Å; E245-L248 PolarHBondContact O-N 2.88Å; E245-R441 PolarHBondContact N-O 3.49Å; E245-L442 WeakPolarHBondContact OE2-CA 3.45Å; E245-K443 HydrophobicContact CB-CG 4.36Å; E245-K443 HydrophobicContact CG-CD 4.44Å; E245-K443 HydrophobicContact CG-CG 4.21Å; E245-K443 WeakPolarHBondContact OE1-CD 3.33Å; E245-K443 VanDerWaalsContact OE1-CE 3.26Å; E245-K443 WeakPolarHBondContact OE1-CE 3.39Å; E245-K443 IonicContact OE1-NZ 2.99Å; E245-K443 PolarHBondContact OE1-NZ 3.46Å; E245-K443 WeakPolarHBondContact OE2-CB 3.25Å; E245-K443 WeakPolarHBondContact OE2-CG 3.45Å; E245-K443 PolarHBondContact OE2-N 3.48Å
246	M	82.2	Confident	88	Confident	9 Å²	9	15 Å²	15	4%	0.044	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	123.3	-178.4	-56.5	-166.8	75.7	0	0	110.6	E348 K443 Q738 D741	M246-E348 WeakPolarHBondContact CE-OE1 3.43Å; M246-K443 WeakPolarHBondContact O-CE 3.4Å; M246-K443 PolarHBondContact O-NZ 3.22Å; M246-Q738 HydrophobicContact CE-CG 3.78Å; M246-Q738 HydrophobicContact SD-CB 3.83Å; M246-Q738 HydrophobicContact SD-CG 3.66Å; M246-D741 HydrophobicContact CB-CB 4.12Å
247	G	78.6	Confident	88.5	Confident	12 Å²	12	10.3 Å²	10.3	12%	0.124	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	109.8	-12.8	179.4	0	0	0	0	0	115.6	E245 G249 I746	E245-G247 PolarHBondContact O-N 3.39Å; G247-G249 PolarHBondContact O-N 3.23Å; G247-G249 VanDerWaalsContact O-N 3.16Å; G247-I746 VanDerWaalsContact O-CD1 3.27Å; G247-I746 WeakPolarHBondContact O-CD1 3.45Å
248	L	83.8	Confident	88.9	Confident	1 Å²	1	9.1 Å²	9.1	1%	0.005	5%	0.053	C	C	.	.	S	Bend	trans	-73	1.2	175.6	-67.9	178.2	0	0	0	114.3	Y222 Q223 D244 E245 R441 K443 V446	Y222-L248 HydrophobicContact CE2-CB 3.93Å; Y222-L248 HydrophobicContact CE2-CD2 3.97Å; Y222-L248 HydrophobicContact CE2-CG 4.5Å; Y222-L248 WeakPolarHBondContact CE2-O 3.36Å; Y222-L248 PolarHBondContact OH-O 3.07Å; Q223-L248 PolarHBondContact NE2-O 3.49Å; D244-L248 HydrophobicContact CB-CB 4.14Å; D244-L248 HydrophobicContact CB-CD1 3.96Å; E245-L248 HydrophobicContact CB-CD1 4.1Å; E245-L248 PolarHBondContact O-N 2.88Å; L248-R441 HydrophobicContact CD1-CB 4.09Å; L248-R441 WeakPolarHBondContact CD1-O 3.49Å; L248-K443 HydrophobicContact CD2-CG 4.33Å; L248-V446 HydrophobicContact CD2-CB 4.27Å; L248-V446 HydrophobicContact CD2-CG1 4.29Å
249	G	86.4	Confident	89.3	Confident	11 Å²	11	7.8 Å²	7.8	11%	0.113	5%	0.046	C	C	.	.			trans	81.6	40.8	174.9	0	0	0	0	0	115	G247 T251 I252 Q253	G247-G249 PolarHBondContact O-N 3.23Å; G247-G249 VanDerWaalsContact O-N 3.16Å; G249-T251 PolarHBondContact O-N 2.78Å; G249-I252 WeakPolarHBondContact O-CB 3.45Å; G249-I252 PolarHBondContact O-N 3.37Å; G249-Q253 PolarHBondContact O-N 3.04Å
250	K	90.4	Very high	89.3	Confident	15 Å²	15	6.8 Å²	6.8	7%	0.065	4%	0.041	C	C	.	.	H	α-helix	trans	-49.2	-41.8	171.8	-67.2	-170	-75.8	-82.1	0	113.2	L242 D244 Q253 T254 L374 T375	L242-K250 HydrophobicContact CD2-CB 3.93Å; L242-K250 HydrophobicContact CD2-CD 4.42Å; L242-K250 HydrophobicContact CD2-CG 3.81Å; L242-K250 HydrophobicContact CG-CD 4.36Å; L242-K250 HydrophobicContact CG-CG 4.15Å; D244-K250 HydrophobicContact CB-CD 4.15Å; D244-K250 HydrophobicContact CB-CG 3.87Å; D244-K250 PolarHBondContact O-NZ 3Å; K250-Q253 PolarHBondContact O-N 3.16Å; K250-T254 WeakPolarHBondContact O-CB 3.31Å; K250-T254 PolarHBondContact O-N 3.06Å; K250-T254 PolarHBondContact O-OG1 2.84Å; K250-L374 HydrophobicContact CD-CB 4.42Å; K250-T375 WeakPolarHBondContact CE-O 3.38Å
251	T	92.7	Very high	89.5	Confident	27 Å²	27	6.7 Å²	6.7	17%	0.166	4%	0.04	C	C	.	.	H	α-helix	trans	-58.9	-47.2	174.7	-52.5	0	0	0	0	111.7	G249 T254 I255 W283 E286	G249-T251 PolarHBondContact O-N 2.78Å; T251-T254 WeakPolarHBondContact O-CB 3.47Å; T251-T254 PolarHBondContact O-N 2.71Å; T251-I255 HydrophobicContact CG2-CD1 4.05Å; T251-I255 VanDerWaalsContact O-CG1 3.31Å; T251-I255 WeakPolarHBondContact O-CG1 3.45Å; T251-I255 PolarHBondContact O-N 3.42Å; T251-W283 HydrophobicContact CG2-CD2 3.85Å; T251-W283 HydrophobicContact CG2-CE3 3.68Å; T251-W283 HydrophobicContact CG2-CH2 3.86Å; T251-W283 HydrophobicContact CG2-CZ2 3.98Å; T251-W283 HydrophobicContact CG2-CZ3 3.7Å; T251-E286 HydrophobicContact CG2-CB 4.3Å; T251-E286 HydrophobicContact CG2-CG 4.48Å
252	I	92.3	Very high	89.6	Confident	27 Å²	27	6.8 Å²	6.8	14%	0.138	4%	0.041	C	C	.	.	H	α-helix	trans	-64.4	-44.2	-179.5	-59.1	167.6	0	0	0	110.2	L219 G249 T254 I255 A256 W290	L219-I252 HydrophobicContact CD2-CG2 3.34Å; G249-I252 WeakPolarHBondContact O-CB 3.45Å; G249-I252 PolarHBondContact O-N 3.37Å; I252-T254 VanDerWaalsContact C-N 3.26Å; I252-T254 PolarHBondContact O-N 2.78Å; I252-I255 PolarHBondContact O-N 3.34Å; I252-A256 WeakPolarHBondContact O-CB 3.49Å; I252-A256 PolarHBondContact O-N 3.41Å; I252-W290 HydrophobicContact CD1-CH2 4.14Å; I252-W290 HydrophobicContact CD1-CZ2 3.52Å; I252-W290 HydrophobicContact CG1-CZ2 3.97Å; I252-W290 HydrophobicContact CG2-CD2 4.16Å; I252-W290 HydrophobicContact CG2-CE3 3.98Å; I252-W290 HydrophobicContact CG2-CH2 3.86Å; I252-W290 HydrophobicContact CG2-CZ2 4.02Å; I252-W290 HydrophobicContact CG2-CZ3 3.81Å
253	Q	92.6	Very high	89.5	Confident	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-60.3	-38.3	175.8	-66.1	176.8	40.3	0	0	111.8	Q223 L230 L242 D244 G249 K250 A256 L257	Q223-Q253 HydrophobicContact CB-CG 4.09Å; Q223-Q253 HydrophobicContact CG-CG 4.32Å; L230-Q253 HydrophobicContact CD1-CB 4.48Å; L242-Q253 HydrophobicContact CD2-CB 4.3Å; D244-Q253 PolarHBondContact OD2-NE2 2.99Å; G249-Q253 PolarHBondContact O-N 3.04Å; K250-Q253 PolarHBondContact O-N 3.16Å; Q253-A256 PolarHBondContact O-N 2.85Å; Q253-L257 PolarHBondContact O-N 3.04Å
254	T	94.5	Very high	89.5	Confident	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-68.6	-42.8	177.1	-54	0	0	0	0	112	K250 T251 I252 A256 L257 L258 W283 I345 L372 L374	K250-T254 WeakPolarHBondContact O-CB 3.31Å; K250-T254 PolarHBondContact O-N 3.06Å; K250-T254 PolarHBondContact O-OG1 2.84Å; T251-T254 WeakPolarHBondContact O-CB 3.47Å; T251-T254 PolarHBondContact O-N 2.71Å; I252-T254 VanDerWaalsContact C-N 3.26Å; I252-T254 PolarHBondContact O-N 2.78Å; T254-A256 VanDerWaalsContact C-N 3.31Å; T254-L257 WeakPolarHBondContact O-CB 3.37Å; T254-L257 PolarHBondContact O-N 2.88Å; T254-L258 WeakPolarHBondContact O-CG 3.31Å; T254-L258 PolarHBondContact O-N 3.23Å; T254-L258 VanDerWaalsContact O-N 3.08Å; T254-W283 HydrophobicContact CG2-CH2 4.33Å; T254-W283 HydrophobicContact CG2-CZ3 4.46Å; T254-I345 HydrophobicContact CG2-CD1 3.5Å; T254-I345 VanDerWaalsContact CG2-CD1 3.5Å; T254-I345 HydrophobicContact CG2-CG1 4.14Å; T254-I345 HydrophobicContact CG2-CG2 3.99Å; T254-L372 HydrophobicContact CG2-CD2 4.14Å; T254-L374 WeakPolarHBondContact OG1-CD1 3.38Å
255	I	94.3	Very high	89.3	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62	-43.4	174.8	-66.1	169.1	0	0	0	109.9	L215 T251 I252 L257 L258 A259 E286 F287 W290 C291	L215-I255 HydrophobicContact CD2-CG2 4.46Å; T251-I255 HydrophobicContact CG2-CD1 4.05Å; T251-I255 VanDerWaalsContact O-CG1 3.31Å; T251-I255 WeakPolarHBondContact O-CG1 3.45Å; T251-I255 PolarHBondContact O-N 3.42Å; I252-I255 PolarHBondContact O-N 3.34Å; I255-L257 VanDerWaalsContact C-N 3.33Å; I255-L257 PolarHBondContact O-N 3.12Å; I255-L258 PolarHBondContact O-N 3.37Å; I255-A259 WeakPolarHBondContact O-CB 3.46Å; I255-A259 PolarHBondContact O-N 3Å; I255-E286 HydrophobicContact CD1-CB 4.05Å; I255-F287 HydrophobicContact CB-CE1 4.42Å; I255-F287 HydrophobicContact CD1-CD1 4.17Å; I255-F287 HydrophobicContact CD1-CE1 4.39Å; I255-F287 HydrophobicContact CD1-CG 4.36Å; I255-F287 HydrophobicContact CG1-CD1 3.87Å; I255-F287 HydrophobicContact CG1-CE1 3.64Å; I255-F287 HydrophobicContact CG1-CG 4.46Å; I255-F287 HydrophobicContact CG1-CZ 4.06Å; I255-F287 HydrophobicContact CG2-CD1 4.29Å; I255-F287 HydrophobicContact CG2-CE1 4.38Å; I255-W290 HydrophobicContact CG2-CB 4.22Å; I255-C291 HydrophobicContact CG2-CB 4.07Å
256	A	93.3	Very high	89.5	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63	-37.7	177.2	0	0	0	0	0	112.4	L215 L219 L227 I252 Q253 T254 A259 H260	L215-A256 HydrophobicContact CD1-CB 3.88Å; L215-A256 HydrophobicContact CD2-CB 4.35Å; L219-A256 HydrophobicContact CD1-CB 3.81Å; L227-A256 HydrophobicContact CD1-CB 3.94Å; L227-A256 HydrophobicContact CD2-CB 3.99Å; I252-A256 WeakPolarHBondContact O-CB 3.49Å; I252-A256 PolarHBondContact O-N 3.41Å; Q253-A256 PolarHBondContact O-N 2.85Å; T254-A256 VanDerWaalsContact C-N 3.31Å; A256-A259 PolarHBondContact O-N 3.28Å; A256-H260 WeakPolarHBondContact O-CB 3.45Å; A256-H260 PolarHBondContact O-N 3.28Å
257	L	92.7	Very high	89.7	Confident	2 Å²	2	24.3 Å²	24.3	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-60.4	-50.6	172.5	176.6	67.1	0	0	0	111	L227 L230 I231 Q253 T254 I255 A259 H260 L261 Y343 L372	L227-L257 HydrophobicContact CD1-CB 4.1Å; L230-L257 HydrophobicContact CB-CD1 3.87Å; L230-L257 HydrophobicContact CB-CD2 4.1Å; L230-L257 HydrophobicContact CB-CG 4.42Å; L230-L257 HydrophobicContact CD1-CB 4.4Å; L230-L257 HydrophobicContact CD1-CD2 4.29Å; I231-L257 HydrophobicContact CG1-CD1 4.14Å; Q253-L257 PolarHBondContact O-N 3.04Å; T254-L257 WeakPolarHBondContact O-CB 3.37Å; T254-L257 PolarHBondContact O-N 2.88Å; I255-L257 VanDerWaalsContact C-N 3.33Å; I255-L257 PolarHBondContact O-N 3.12Å; L257-A259 VanDerWaalsContact C-N 3.33Å; L257-A259 PolarHBondContact O-N 3.35Å; L257-H260 WeakPolarHBondContact O-CB 3.34Å; L257-H260 PolarHBondContact O-N 2.87Å; L257-L261 HydrophobicContact CG-CD1 4.34Å; L257-L261 WeakPolarHBondContact O-CG 3.47Å; L257-L261 PolarHBondContact O-N 2.92Å; L257-Y343 HydrophobicContact CD2-CE1 4.09Å; L257-L372 HydrophobicContact CD2-CD2 4.18Å
258	L	93.9	Very high	90.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.6	-40	179.3	-65.1	179.5	0	0	0	112	T254 I255 H260 L261 A262 H271 F287 F294 I321 I345	T254-L258 WeakPolarHBondContact O-CG 3.31Å; T254-L258 PolarHBondContact O-N 3.23Å; T254-L258 VanDerWaalsContact O-N 3.08Å; I255-L258 PolarHBondContact O-N 3.37Å; L258-H260 VanDerWaalsContact C-N 3.34Å; L258-H260 PolarHBondContact O-N 3Å; L258-L261 HydrophobicContact CD2-CD1 4.45Å; L258-L261 PolarHBondContact O-N 3.45Å; L258-A262 PolarHBondContact O-N 3.22Å; L258-H271 HydrophobicContact CD2-CB 4.41Å; L258-F287 HydrophobicContact CD1-CE1 4.22Å; L258-F287 HydrophobicContact CD1-CZ 4.2Å; L258-F294 HydrophobicContact CB-CZ 4.36Å; L258-I321 HydrophobicContact CD1-CD1 3.82Å; L258-I345 HydrophobicContact CD1-CD1 4.08Å; L258-I345 HydrophobicContact CD2-CD1 4.3Å; L258-I345 HydrophobicContact CG-CD1 4.43Å
259	A	92.8	Very high	90.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.9	-41.8	174.7	0	0	0	0	0	111.9	P212 L214 L215 I255 A256 L257 A262 C263 F294	P212-A259 HydrophobicContact CB-CB 4.01Å; P212-A259 HydrophobicContact CG-CB 4.34Å; L214-A259 HydrophobicContact CB-CB 4.36Å; L215-A259 HydrophobicContact CG-CB 4.28Å; I255-A259 WeakPolarHBondContact O-CB 3.46Å; I255-A259 PolarHBondContact O-N 3Å; A256-A259 PolarHBondContact O-N 3.28Å; L257-A259 VanDerWaalsContact C-N 3.33Å; L257-A259 PolarHBondContact O-N 3.35Å; A259-A262 PolarHBondContact O-N 3.37Å; A259-C263 PolarHBondContact O-N 2.86Å; A259-C263 PolarHBondContact O-SG 3.29Å; A259-F294 HydrophobicContact CB-CE2 4.33Å
260	H	91	Very high	90.5	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.019	15%	0.152	C	C	.	.	H	α-helix	trans	-63.7	-42.1	176.5	179.2	88.7	0	0	0	112.4	P212 I231 A256 L257 L258 A262 C263 E264	P212-H260 HydrophobicContact CG-CB 3.64Å; I231-H260 HydrophobicContact CD1-CB 4.42Å; I231-H260 VanDerWaalsContact CD1-CE1 3.45Å; I231-H260 WeakPolarHBondContact CD1-CE1 3.17Å; I231-H260 WeakPolarHBondContact CD1-NE2 3.3Å; I231-H260 VanDerWaalsContact CG1-CD2 3.45Å; I231-H260 WeakPolarHBondContact CG1-CD2 3.39Å; I231-H260 WeakPolarHBondContact CG2-NE2 3.14Å; A256-H260 WeakPolarHBondContact O-CB 3.45Å; A256-H260 PolarHBondContact O-N 3.28Å; L257-H260 WeakPolarHBondContact O-CB 3.34Å; L257-H260 PolarHBondContact O-N 2.87Å; L258-H260 VanDerWaalsContact C-N 3.34Å; L258-H260 PolarHBondContact O-N 3Å; H260-A262 VanDerWaalsContact C-N 3.35Å; H260-A262 PolarHBondContact O-N 3.47Å; H260-C263 PolarHBondContact O-N 2.99Å; H260-E264 IonicContact CE1-OE1 2.73Å; H260-E264 PolarHBondContact CE1-OE1 2.76Å; H260-E264 IonicContact CE1-OE2 3.54Å; H260-E264 PolarHBondContact CE1-OE2 2.61Å; H260-E264 VanDerWaalsContact CE1-OE2 3.24Å; H260-E264 IonicContact ND1-OE1 3.03Å; H260-E264 VanDerWaalsContact NE2-CD 3.29Å; H260-E264 IonicContact NE2-OE1 3.85Å; H260-E264 IonicContact NE2-OE2 2.69Å; H260-E264 PolarHBondContact NE2-OE2 2.77Å; H260-E264 PolarHBondContact O-N 2.96Å
261	L	91.2	Very high	90.7	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-63.3	-39.9	176.3	-64.5	173.7	0	0	0	112.6	N234 L257 L258 C263 N265 F266 D267 Y343	N234-L261 WeakPolarHBondContact ND2-CD2 2.98Å; L257-L261 HydrophobicContact CG-CD1 4.34Å; L257-L261 WeakPolarHBondContact O-CG 3.47Å; L257-L261 PolarHBondContact O-N 2.92Å; L258-L261 HydrophobicContact CD2-CD1 4.45Å; L258-L261 PolarHBondContact O-N 3.45Å; L261-C263 VanDerWaalsContact C-N 3.32Å; L261-C263 PolarHBondContact O-N 3.06Å; L261-N265 WeakPolarHBondContact CD2-ND2 3.21Å; L261-N265 WeakPolarHBondContact O-CA 3.47Å; L261-N265 WeakPolarHBondContact O-CB 3.45Å; L261-N265 PolarHBondContact O-N 2.9Å; L261-F266 PolarHBondContact O-N 3.24Å; L261-D267 PolarHBondContact O-N 3.03Å; L261-Y343 HydrophobicContact CD1-CD2 3.91Å; L261-Y343 HydrophobicContact CD1-CE2 3.28Å
262	A	91.1	Very high	90.9	Very high	3 Å²	3	27.7 Å²	27.7	3%	0.025	14%	0.141	C	C	.	.	H	α-helix	trans	-66.2	-34.3	176	0	0	0	0	0	112.4	L214 L258 A259 H260 F266 D267 W268 F294	L214-A262 HydrophobicContact CD1-CB 4.2Å; L258-A262 PolarHBondContact O-N 3.22Å; A259-A262 PolarHBondContact O-N 3.37Å; H260-A262 VanDerWaalsContact C-N 3.35Å; H260-A262 PolarHBondContact O-N 3.47Å; A262-F266 WeakPolarHBondContact O-CA 3.4Å; A262-D267 WeakPolarHBondContact CA-O 3.48Å; A262-D267 PolarHBondContact N-O 3.4Å; A262-W268 HydrophobicContact CB-CD2 4.03Å; A262-W268 HydrophobicContact CB-CE3 4.17Å; A262-W268 HydrophobicContact CB-CH2 4.47Å; A262-W268 HydrophobicContact CB-CZ2 4.33Å; A262-W268 HydrophobicContact CB-CZ3 4.4Å; A262-F294 HydrophobicContact CB-CE1 4.1Å; A262-F294 HydrophobicContact CB-CZ 3.91Å
263	C	89.4	Confident	91	Very high	29 Å²	29	26.4 Å²	26.4	20%	0.196	13%	0.134	C	C	.	.	H	α-helix	trans	-79.9	-46.6	179.5	-68.3	0	0	0	0	113.9	F213 L214 A259 H260 L261	F213-C263 VanDerWaalsContact CD1-SG 3.58Å; F213-C263 HydrophobicContact CE1-CB 4.25Å; F213-C263 WeakPolarHBondContact CE1-SG 3.42Å; L214-C263 WeakPolarHBondContact CD1-SG 3.19Å; A259-C263 PolarHBondContact O-N 2.86Å; A259-C263 PolarHBondContact O-SG 3.29Å; H260-C263 PolarHBondContact O-N 2.99Å; L261-C263 VanDerWaalsContact C-N 3.32Å; L261-C263 PolarHBondContact O-N 3.06Å
264	E	86.3	Confident	91.2	Very high	82 Å²	82	26.4 Å²	26.4	38%	0.383	13%	0.134	S	C	.	.	H	α-helix	trans	-86.6	-44.4	-175	-69	-159.5	169.6	0	0	112.8	R235 H260	R235-E264 IonicContact CZ-OE2 3.99Å; R235-E264 IonicContact NH2-OE1 3.91Å; R235-E264 IonicContact NH2-OE2 2.67Å; R235-E264 PolarHBondContact NH2-OE2 3.28Å; H260-E264 IonicContact CE1-OE1 2.73Å; H260-E264 PolarHBondContact CE1-OE1 2.76Å; H260-E264 IonicContact CE1-OE2 3.54Å; H260-E264 PolarHBondContact CE1-OE2 2.61Å; H260-E264 VanDerWaalsContact CE1-OE2 3.24Å; H260-E264 IonicContact ND1-OE1 3.03Å; H260-E264 VanDerWaalsContact NE2-CD 3.29Å; H260-E264 IonicContact NE2-OE1 3.85Å; H260-E264 IonicContact NE2-OE2 2.69Å; H260-E264 PolarHBondContact NE2-OE2 2.77Å; H260-E264 PolarHBondContact O-N 2.96Å
265	N	83.8	Confident	91.1	Very high	91 Å²	91	26.4 Å²	26.4	49%	0.487	13%	0.134	S	C	.	.	S	Bend	trans	-98.7	-3.5	-173.2	-62.2	-25.4	0	0	0	113	L261 D267	L261-N265 WeakPolarHBondContact CD2-ND2 3.21Å; L261-N265 WeakPolarHBondContact O-CA 3.47Å; L261-N265 WeakPolarHBondContact O-CB 3.45Å; L261-N265 PolarHBondContact O-N 2.9Å; N265-D267 HydrophobicContact CB-CB 4.42Å; N265-D267 PolarHBondContact O-N 3.42Å; N265-D267 VanDerWaalsContact O-N 3.12Å
266	F	86.2	Confident	90.8	Very high	170 Å²	170	27.2 Å²	27.2	75%	0.746	14%	0.14	S	C	*	.			trans	53.6	25.4	-171	-58.8	-80.8	0	0	0	113.8	L261 A262	L261-F266 PolarHBondContact O-N 3.24Å; A262-F266 WeakPolarHBondContact O-CA 3.4Å
267	D	86.5	Confident	90.3	Very high	35 Å²	35	30.7 Å²	30.7	19%	0.187	16%	0.161	C	C	.	.			trans	-95.2	108.8	177.4	176.4	31	0	0	0	110.6	L261 A262 N265 G269 H271 H342	L261-D267 PolarHBondContact O-N 3.03Å; A262-D267 WeakPolarHBondContact CA-O 3.48Å; A262-D267 PolarHBondContact N-O 3.4Å; N265-D267 HydrophobicContact CB-CB 4.42Å; N265-D267 PolarHBondContact O-N 3.42Å; N265-D267 VanDerWaalsContact O-N 3.12Å; D267-G269 PolarHBondContact OD1-N 2.99Å; D267-H271 IonicContact OD2-CE1 3.36Å; D267-H342 IonicContact OD2-CE1 3.46Å; D267-H342 PolarHBondContact OD2-CE1 2.93Å; D267-H342 IonicContact OD2-CG 3.83Å; D267-H342 IonicContact OD2-ND1 2.65Å; D267-H342 PolarHBondContact OD2-ND1 3.3Å; D267-H342 IonicContact OD2-NE2 2.8Å
268	W	89	Confident	89.6	Confident	84 Å²	84	31.8 Å²	31.8	32%	0.318	17%	0.169	S	C	.	.			trans	-94.9	-5.5	178.3	-67.1	81.4	0	0	0	112.9	L214 A262 F294 H320	L214-W268 HydrophobicContact CD1-CH2 4.09Å; A262-W268 HydrophobicContact CB-CD2 4.03Å; A262-W268 HydrophobicContact CB-CE3 4.17Å; A262-W268 HydrophobicContact CB-CH2 4.47Å; A262-W268 HydrophobicContact CB-CZ2 4.33Å; A262-W268 HydrophobicContact CB-CZ3 4.4Å; W268-F294 AromaticContact CE3-CD1 3.87Å; W268-F294 HydrophobicContact CE3-CD1 3.87Å; W268-F294 AromaticContact CE3-CE1 3.65Å; W268-F294 HydrophobicContact CE3-CE1 3.65Å; W268-F294 HydrophobicContact CZ3-CD1 4.09Å; W268-F294 AromaticContact CZ3-CE1 3.95Å; W268-F294 HydrophobicContact CZ3-CE1 3.95Å; W268-H320 AromaticContact CE3-CE1 3.81Å; W268-H320 AromaticContact CE3-ND1 3.66Å; W268-H320 VanDerWaalsContact O-CB 3.27Å; W268-H320 WeakPolarHBondContact O-CB 3.44Å
269	G	85.1	Confident	89.2	Confident	27 Å²	27	32.3 Å²	32.3	28%	0.278	17%	0.172	S	C	.	.			trans	117.8	-172	-179.4	0	0	0	0	0	114.4	D267 H271	D267-G269 PolarHBondContact OD1-N 2.99Å; G269-H271 WeakPolarHBondContact CA-NE2 3.47Å; G269-H271 PolarHBondContact N-NE2 3.07Å
270	P	92.2	Very high	88.9	Confident	26 Å²	26	32.6 Å²	32.6	17%	0.169	17%	0.174	C	C	.	.			cis	-89.2	133.8	34.5	31.8	-36.8	0	0	0	115.3	H320 K340 W341 H342	P270-H320 WeakPolarHBondContact CA-O 3.27Å; P270-K340 VanDerWaalsContact CG-O 3.31Å; P270-K340 WeakPolarHBondContact CG-O 3.3Å; P270-W341 HydrophobicContact CB-CE3 3.85Å; P270-W341 HydrophobicContact CB-CZ3 3.91Å; P270-W341 HydrophobicContact CG-CE3 4.29Å; P270-H342 PolarHBondContact O-N 2.87Å
271	H	94.5	Very high	88.6	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	139.9	174.4	-51.5	-62.1	0	0	0	111.3	L258 D267 G269 H320 I321 C322 H342 Y343	L258-H271 HydrophobicContact CD2-CB 4.41Å; D267-H271 IonicContact OD2-CE1 3.36Å; G269-H271 WeakPolarHBondContact CA-NE2 3.47Å; G269-H271 PolarHBondContact N-NE2 3.07Å; H271-H320 PolarHBondContact N-O 3Å; H271-I321 HydrophobicContact CB-CG1 4.4Å; H271-I321 WeakPolarHBondContact O-CA 3.2Å; H271-C322 PolarHBondContact O-N 2.98Å; H271-H342 AromaticContact CE1-ND1 3.92Å; H271-Y343 AromaticContact ND1-CD2 3.9Å
272	L	95.2	Very high	88.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	121.3	178.8	-177	62.8	0	0	0	110.2	I274 C322 T324 F336 W341 Y343 M344 I345 F366	L272-I274 HydrophobicContact CD1-CG1 4.49Å; L272-I274 HydrophobicContact CD2-CD1 3.96Å; L272-I274 HydrophobicContact CD2-CG1 4.24Å; L272-I274 HydrophobicContact CG-CD1 4.26Å; L272-I274 HydrophobicContact CG-CG1 3.98Å; L272-C322 HydrophobicContact CD1-CB 4.26Å; L272-T324 HydrophobicContact CD1-CG2 3.9Å; L272-F336 HydrophobicContact CD1-CD1 4.19Å; L272-F336 HydrophobicContact CD1-CE1 4.02Å; L272-W341 HydrophobicContact CB-CD2 3.76Å; L272-W341 HydrophobicContact CB-CE3 3.6Å; L272-W341 HydrophobicContact CB-CG 4.21Å; L272-W341 HydrophobicContact CB-CZ3 3.99Å; L272-W341 HydrophobicContact CD1-CH2 4.11Å; L272-W341 HydrophobicContact CD1-CZ2 4.26Å; L272-W341 HydrophobicContact CD1-CZ3 4.32Å; L272-W341 HydrophobicContact CD2-CD2 4.25Å; L272-W341 HydrophobicContact CD2-CG 4.43Å; L272-W341 HydrophobicContact CG-CD2 4.48Å; L272-Y343 PolarHBondContact N-O 3.1Å; L272-M344 WeakPolarHBondContact O-CA 3.46Å; L272-I345 PolarHBondContact O-N 2.99Å; L272-F366 HydrophobicContact CD2-CD2 4.47Å; L272-F366 HydrophobicContact CD2-CE2 4.42Å
273	V	96.4	Very high	88.4	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	119.7	175.4	-169.6	0	0	0	0	108.6	V275 W283 I321 C322 I323 T324 I345	V273-V275 HydrophobicContact CG1-CG1 3.72Å; V273-W283 HydrophobicContact CG1-CD2 4.3Å; V273-W283 HydrophobicContact CG1-CE3 4.02Å; V273-W283 HydrophobicContact CG1-CH2 4.2Å; V273-W283 HydrophobicContact CG1-CZ2 4.49Å; V273-W283 HydrophobicContact CG1-CZ3 3.95Å; V273-I321 HydrophobicContact CG2-CG2 3.86Å; V273-C322 PolarHBondContact N-O 3.12Å; V273-I323 HydrophobicContact CB-CG1 4.46Å; V273-I323 WeakPolarHBondContact O-CA 3.48Å; V273-T324 PolarHBondContact O-N 3.29Å; V273-I345 HydrophobicContact CG1-CB 4.38Å; V273-I345 HydrophobicContact CG1-CG2 4.32Å; V273-I345 HydrophobicContact CG2-CB 4.41Å; V273-I345 HydrophobicContact CG2-CD1 4.04Å
274	I	95.4	Very high	88.5	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	119.7	-179.2	-54.2	179.1	0	0	0	108.4	L272 T324 Y326 V329 I345 L346 D347 L363	L272-I274 HydrophobicContact CD1-CG1 4.49Å; L272-I274 HydrophobicContact CD2-CD1 3.96Å; L272-I274 HydrophobicContact CD2-CG1 4.24Å; L272-I274 HydrophobicContact CG-CD1 4.26Å; L272-I274 HydrophobicContact CG-CG1 3.98Å; I274-T324 WeakPolarHBondContact CA-O 3.34Å; I274-T324 HydrophobicContact CG1-CG2 3.98Å; I274-Y326 HydrophobicContact CG2-CD1 3.62Å; I274-Y326 HydrophobicContact CG2-CD2 4.1Å; I274-Y326 HydrophobicContact CG2-CE1 3.74Å; I274-Y326 HydrophobicContact CG2-CE2 4.21Å; I274-Y326 HydrophobicContact CG2-CG 3.81Å; I274-V329 HydrophobicContact CD1-CG1 4.31Å; I274-V329 HydrophobicContact CD1-CG2 3.93Å; I274-V329 HydrophobicContact CG1-CG2 4.21Å; I274-V329 HydrophobicContact CG2-CG2 4.28Å; I274-I345 PolarHBondContact N-O 2.65Å; I274-L346 HydrophobicContact CB-CD2 3.63Å; I274-L346 HydrophobicContact CD1-CD2 3.63Å; I274-L346 HydrophobicContact CG1-CD2 3.94Å; I274-L346 HydrophobicContact CG2-CD2 4.29Å; I274-D347 PolarHBondContact O-N 3.38Å; I274-L363 HydrophobicContact CD1-CD2 3.42Å; I274-L363 VanDerWaalsContact CD1-CD2 3.42Å
275	V	92.3	Very high	88.6	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	160.1	-171.1	-54.6	0	0	0	0	111	V273 L280 W283 I323 T324 S325 D347	V273-V275 HydrophobicContact CG1-CG1 3.72Å; V275-L280 HydrophobicContact CG2-CB 4Å; V275-L280 HydrophobicContact CG2-CG 4.36Å; V275-W283 HydrophobicContact CG1-CD2 4.11Å; V275-W283 HydrophobicContact CG1-CG 3.99Å; V275-W283 HydrophobicContact CG1-CZ2 4.48Å; V275-I323 HydrophobicContact CG1-CG2 4.49Å; V275-I323 HydrophobicContact CG2-CG2 3.93Å; V275-T324 PolarHBondContact N-O 3.08Å; V275-S325 VanDerWaalsContact O-CA 3.22Å; V275-S325 WeakPolarHBondContact O-CA 3.5Å; V275-D347 HydrophobicContact CB-CB 4.35Å; V275-D347 HydrophobicContact CG1-CB 3.89Å
276	P	88.2	Confident	88.9	Confident	18 Å²	18	36.1 Å²	36.1	12%	0.117	19%	0.188	C	C	.	.			trans	-60	145.9	166.5	-19.6	31.9	0	0	0	110.7	S278 V279 L280 Y326 E348	P276-S278 PolarHBondContact O-N 3.43Å; P276-V279 HydrophobicContact CB-CG2 4.26Å; P276-V279 HydrophobicContact CG-CG2 4.35Å; P276-V279 PolarHBondContact O-N 3.29Å; P276-L280 PolarHBondContact O-N 3.01Å; P276-Y326 HydrophobicContact CG-CE2 4.48Å; P276-E348 HydrophobicContact CG-CB 3.82Å; P276-E348 HydrophobicContact CG-CG 3.85Å
277	T	83.7	Confident	89.3	Confident	73 Å²	73	28 Å²	28	45%	0.448	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-54.3	-33.5	-175.2	-53.3	0	0	0	0	113.2	V279	T277-V279 PolarHBondContact O-N 2.91Å
278	S	77.9	Confident	89.5	Confident	25 Å²	25	32 Å²	32	18%	0.175	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-69.5	-27.5	179.4	55.2	0	0	0	0	114.8	P276 L714	P276-S278 PolarHBondContact O-N 3.43Å; S278-L714 WeakPolarHBondContact OG-CB 3.23Å; S278-L714 WeakPolarHBondContact OG-CD2 3.42Å
279	V	84.4	Confident	89.7	Confident	10 Å²	10	33.4 Å²	33.4	6%	0.061	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-97.2	-4.9	-174.4	-156.9	0	0	0	0	111.2	P276 T277 L281 N282 W283	P276-V279 HydrophobicContact CB-CG2 4.26Å; P276-V279 HydrophobicContact CG-CG2 4.35Å; P276-V279 PolarHBondContact O-N 3.29Å; T277-V279 PolarHBondContact O-N 2.91Å; V279-L281 PolarHBondContact O-N 2.96Å; V279-N282 HydrophobicContact CG1-CB 4.01Å; V279-N282 WeakPolarHBondContact O-CB 3.26Å; V279-N282 PolarHBondContact O-N 3.3Å; V279-N282 VanDerWaalsContact O-N 3.09Å; V279-W283 PolarHBondContact O-N 3.1Å
280	L	87.4	Confident	90	Very high	6 Å²	6	33.4 Å²	33.4	3%	0.031	17%	0.168	C	C	.	.	H	α-helix	trans	-55.9	-49	-175.9	-169.2	156.6	0	0	0	112.6	V275 P276 N282 W283 E284 T298 Y300 I323	V275-L280 HydrophobicContact CG2-CB 4Å; V275-L280 HydrophobicContact CG2-CG 4.36Å; P276-L280 PolarHBondContact O-N 3.01Å; L280-N282 VanDerWaalsContact C-N 3.34Å; L280-W283 PolarHBondContact O-N 3.45Å; L280-E284 PolarHBondContact O-N 3.28Å; L280-T298 HydrophobicContact CD2-CG2 4.04Å; L280-Y300 HydrophobicContact CD2-CD1 4.15Å; L280-I323 HydrophobicContact CG-CG2 4.06Å
281	L	84.9	Confident	89.9	Confident	62 Å²	62	32.1 Å²	32.1	33%	0.325	16%	0.16	S	C	.	.	H	α-helix	trans	-67.4	-36.2	177.8	-62.8	177.6	0	0	0	111.8	V279 W283 E284 M285 V686	V279-L281 PolarHBondContact O-N 2.96Å; L281-W283 PolarHBondContact O-N 3.07Å; L281-E284 WeakPolarHBondContact O-CB 3.33Å; L281-E284 PolarHBondContact O-N 3.37Å; L281-M285 WeakPolarHBondContact O-CG 3.43Å; L281-M285 PolarHBondContact O-N 3.48Å; L281-V686 HydrophobicContact CD1-CG1 4.03Å
282	N	86.7	Confident	89.7	Confident	47 Å²	47	35.1 Å²	35.1	25%	0.251	18%	0.18	S	C	.	.	H	α-helix	trans	-63.5	-42.4	177	-174	69.2	0	0	0	111.9	V279 L280 E284 M285 E286	V279-N282 HydrophobicContact CG1-CB 4.01Å; V279-N282 WeakPolarHBondContact O-CB 3.26Å; V279-N282 PolarHBondContact O-N 3.3Å; V279-N282 VanDerWaalsContact O-N 3.09Å; L280-N282 VanDerWaalsContact C-N 3.34Å; N282-E284 VanDerWaalsContact C-N 3.33Å; N282-E284 PolarHBondContact O-N 2.64Å; N282-M285 HydrophobicContact CB-CE 4.45Å; N282-M285 PolarHBondContact O-N 3.48Å; N282-E286 WeakPolarHBondContact O-CG 3.32Å; N282-E286 PolarHBondContact O-N 2.75Å
283	W	91.6	Very high	89.4	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-42.3	173.6	-85.4	88.5	0	0	0	111.9	T251 T254 V273 V275 V279 L280 L281 E286 F287 I323 D347 L374	T251-W283 HydrophobicContact CG2-CD2 3.85Å; T251-W283 HydrophobicContact CG2-CE3 3.68Å; T251-W283 HydrophobicContact CG2-CH2 3.86Å; T251-W283 HydrophobicContact CG2-CZ2 3.98Å; T251-W283 HydrophobicContact CG2-CZ3 3.7Å; T254-W283 HydrophobicContact CG2-CH2 4.33Å; T254-W283 HydrophobicContact CG2-CZ3 4.46Å; V273-W283 HydrophobicContact CG1-CD2 4.3Å; V273-W283 HydrophobicContact CG1-CE3 4.02Å; V273-W283 HydrophobicContact CG1-CH2 4.2Å; V273-W283 HydrophobicContact CG1-CZ2 4.49Å; V273-W283 HydrophobicContact CG1-CZ3 3.95Å; V275-W283 HydrophobicContact CG1-CD2 4.11Å; V275-W283 HydrophobicContact CG1-CG 3.99Å; V275-W283 HydrophobicContact CG1-CZ2 4.48Å; V279-W283 PolarHBondContact O-N 3.1Å; L280-W283 PolarHBondContact O-N 3.45Å; L281-W283 PolarHBondContact O-N 3.07Å; W283-E286 PolarHBondContact O-N 3.01Å; W283-F287 HydrophobicContact CE3-CD2 4.37Å; W283-F287 AromaticContact CE3-CE2 3.67Å; W283-F287 HydrophobicContact CE3-CE2 3.67Å; W283-F287 HydrophobicContact CE3-CZ 4.27Å; W283-F287 HydrophobicContact CZ3-CE2 4.22Å; W283-F287 HydrophobicContact CZ3-CZ 4.37Å; W283-F287 WeakPolarHBondContact O-CD2 3.5Å; W283-F287 PolarHBondContact O-N 3.32Å; W283-I323 HydrophobicContact CB-CD1 4.13Å; W283-I323 HydrophobicContact CB-CG2 4.35Å; W283-D347 HydrophobicContact CZ2-CB 3.92Å; W283-D347 PolarHBondContact NE1-OD2 3.43Å; W283-L374 HydrophobicContact CH2-CD1 3.8Å; W283-L374 HydrophobicContact CZ2-CD1 3.93Å
284	E	90.5	Very high	89.1	Confident	35 Å²	35	38.5 Å²	38.5	16%	0.164	20%	0.202	C	C	.	.	H	α-helix	trans	-61.1	-44.9	176.3	-172.6	-176.5	172.7	0	0	112.2	L280 L281 N282 F287 K288 T298	L280-E284 PolarHBondContact O-N 3.28Å; L281-E284 WeakPolarHBondContact O-CB 3.33Å; L281-E284 PolarHBondContact O-N 3.37Å; N282-E284 VanDerWaalsContact C-N 3.33Å; N282-E284 PolarHBondContact O-N 2.64Å; E284-F287 PolarHBondContact O-N 3.27Å; E284-K288 HydrophobicContact CG-CD 4.44Å; E284-K288 WeakPolarHBondContact O-CG 3.41Å; E284-K288 PolarHBondContact O-N 3.07Å; E284-K288 VanDerWaalsContact OE1-CE 3.24Å; E284-K288 WeakPolarHBondContact OE1-CE 3.3Å; E284-K288 IonicContact OE1-NZ 3.28Å; E284-K288 PolarHBondContact OE1-NZ 2.86Å; E284-T298 HydrophobicContact CB-CG2 3.87Å; E284-T298 HydrophobicContact CG-CG2 3.82Å; E284-T298 WeakPolarHBondContact OE2-CG2 3.19Å
285	M	88.8	Confident	89	Confident	98 Å²	98	43.9 Å²	43.9	48%	0.483	23%	0.225	S	C	.	.	H	α-helix	trans	-62.2	-44.6	176.8	-70.3	-171.6	-68.1	0	0	112	L281 N282 K288 K289	L281-M285 WeakPolarHBondContact O-CG 3.43Å; L281-M285 PolarHBondContact O-N 3.48Å; N282-M285 HydrophobicContact CB-CE 4.45Å; N282-M285 PolarHBondContact O-N 3.48Å; M285-K288 PolarHBondContact O-N 3.45Å; M285-K289 VanDerWaalsContact O-CB 3.31Å; M285-K289 WeakPolarHBondContact O-CB 3.42Å; M285-K289 PolarHBondContact O-N 2.82Å
286	E	91	Very high	89.1	Confident	42 Å²	42	45.9 Å²	45.9	20%	0.196	24%	0.235	C	C	.	.	H	α-helix	trans	-64	-41	178.1	-70.3	-66.7	168.4	0	0	111.8	T251 I255 N282 W283 K289 W290	T251-E286 HydrophobicContact CG2-CB 4.3Å; T251-E286 HydrophobicContact CG2-CG 4.48Å; I255-E286 HydrophobicContact CD1-CB 4.05Å; N282-E286 WeakPolarHBondContact O-CG 3.32Å; N282-E286 PolarHBondContact O-N 2.75Å; W283-E286 PolarHBondContact O-N 3.01Å; E286-K289 PolarHBondContact O-N 2.9Å; E286-W290 VanDerWaalsContact O-CD1 3.29Å; E286-W290 PolarHBondContact O-N 3.12Å; E286-W290 PolarHBondContact OE2-NE1 3.19Å
287	F	93.1	Very high	89.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.7	-45.9	173.9	-85.4	-68.6	0	0	0	112.1	I255 L258 W283 E284 K289 C291 I296 I321 I323	I255-F287 HydrophobicContact CB-CE1 4.42Å; I255-F287 HydrophobicContact CD1-CD1 4.17Å; I255-F287 HydrophobicContact CD1-CE1 4.39Å; I255-F287 HydrophobicContact CD1-CG 4.36Å; I255-F287 HydrophobicContact CG1-CD1 3.87Å; I255-F287 HydrophobicContact CG1-CE1 3.64Å; I255-F287 HydrophobicContact CG1-CG 4.46Å; I255-F287 HydrophobicContact CG1-CZ 4.06Å; I255-F287 HydrophobicContact CG2-CD1 4.29Å; I255-F287 HydrophobicContact CG2-CE1 4.38Å; L258-F287 HydrophobicContact CD1-CE1 4.22Å; L258-F287 HydrophobicContact CD1-CZ 4.2Å; W283-F287 HydrophobicContact CE3-CD2 4.37Å; W283-F287 AromaticContact CE3-CE2 3.67Å; W283-F287 HydrophobicContact CE3-CE2 3.67Å; W283-F287 HydrophobicContact CE3-CZ 4.27Å; W283-F287 HydrophobicContact CZ3-CE2 4.22Å; W283-F287 HydrophobicContact CZ3-CZ 4.37Å; W283-F287 WeakPolarHBondContact O-CD2 3.5Å; W283-F287 PolarHBondContact O-N 3.32Å; E284-F287 PolarHBondContact O-N 3.27Å; F287-K289 VanDerWaalsContact C-N 3.27Å; F287-K289 PolarHBondContact O-N 3.11Å; F287-C291 CarbonylContact O-C 3.52Å; F287-C291 PolarHBondContact O-N 3.4Å; F287-C291 VanDerWaalsContact O-O 3.08Å; F287-I296 HydrophobicContact CB-CD1 3.42Å; F287-I296 VanDerWaalsContact CB-CD1 3.42Å; F287-I296 HydrophobicContact CB-CG1 4.17Å; F287-I296 HydrophobicContact CG-CD1 4.15Å; F287-I296 HydrophobicContact CG-CG1 4.38Å; F287-I321 HydrophobicContact CD1-CD1 4.05Å; F287-I321 HydrophobicContact CE1-CD1 3.39Å; F287-I321 HydrophobicContact CE2-CG2 4.21Å; F287-I321 HydrophobicContact CZ-CD1 3.78Å; F287-I321 HydrophobicContact CZ-CG2 4.03Å; F287-I323 HydrophobicContact CD2-CD1 3.69Å; F287-I323 HydrophobicContact CE2-CD1 3.84Å; F287-I323 HydrophobicContact CE2-CG1 4.31Å
288	K	92.4	Very high	89.7	Confident	119 Å²	119	43.9 Å²	43.9	52%	0.517	22%	0.222	S	C	.	.	H	α-helix	trans	-61.5	-36.2	176.8	-73	177.9	-175.8	170.4	0	112.3	E284 M285	E284-K288 HydrophobicContact CG-CD 4.44Å; E284-K288 WeakPolarHBondContact O-CG 3.41Å; E284-K288 PolarHBondContact O-N 3.07Å; E284-K288 VanDerWaalsContact OE1-CE 3.24Å; E284-K288 WeakPolarHBondContact OE1-CE 3.3Å; E284-K288 IonicContact OE1-NZ 3.28Å; E284-K288 PolarHBondContact OE1-NZ 2.86Å; M285-K288 PolarHBondContact O-N 3.45Å
289	K	91.9	Very high	90.4	Very high	114 Å²	114	42.8 Å²	42.8	50%	0.496	21%	0.214	S	C	.	.	H	α-helix	trans	-71.6	-51.9	179.4	-177.2	179.2	177.6	-179.5	0	112.5	K216 M285 E286 F287	K216-K289 WeakPolarHBondContact CD-O 3.13Å; M285-K289 VanDerWaalsContact O-CB 3.31Å; M285-K289 WeakPolarHBondContact O-CB 3.42Å; M285-K289 PolarHBondContact O-N 2.82Å; E286-K289 PolarHBondContact O-N 2.9Å; F287-K289 VanDerWaalsContact C-N 3.27Å; F287-K289 PolarHBondContact O-N 3.11Å
290	W	91.4	Very high	90.6	Very high	26 Å²	26	47.4 Å²	47.4	10%	0.098	23%	0.231	C	C	.	.	H	α-helix	trans	-86.5	-41.6	-171.4	-72.6	86.1	0	0	0	114	L215 K216 H217 L219 I252 I255 E286	L215-W290 HydrophobicContact CD2-CE3 4.42Å; K216-W290 PolarHBondContact N-O 3.28Å; K216-W290 VanDerWaalsContact N-O 3.07Å; H217-W290 HydrophobicContact CB-CD2 4.48Å; H217-W290 HydrophobicContact CB-CE3 3.77Å; H217-W290 HydrophobicContact CB-CH2 3.84Å; H217-W290 HydrophobicContact CB-CZ3 3.43Å; H217-W290 VanDerWaalsContact CB-CZ3 3.43Å; L219-W290 HydrophobicContact CD2-CZ3 3.9Å; I252-W290 HydrophobicContact CD1-CH2 4.14Å; I252-W290 HydrophobicContact CD1-CZ2 3.52Å; I252-W290 HydrophobicContact CG1-CZ2 3.97Å; I252-W290 HydrophobicContact CG2-CD2 4.16Å; I252-W290 HydrophobicContact CG2-CE3 3.98Å; I252-W290 HydrophobicContact CG2-CH2 3.86Å; I252-W290 HydrophobicContact CG2-CZ2 4.02Å; I252-W290 HydrophobicContact CG2-CZ3 3.81Å; I255-W290 HydrophobicContact CG2-CB 4.22Å; E286-W290 VanDerWaalsContact O-CD1 3.29Å; E286-W290 PolarHBondContact O-N 3.12Å; E286-W290 PolarHBondContact OE2-NE1 3.19Å
291	C	89.7	Confident	90.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.241	C	C	.	.			trans	-141.3	79	-175.6	-71.9	0	0	0	0	111.4	L214 L215 I255 F287 S293 F294	L214-C291 PolarHBondContact O-SG 3.06Å; L214-C291 VanDerWaalsContact O-SG 3.39Å; L215-C291 WeakPolarHBondContact CD2-SG 3.48Å; I255-C291 HydrophobicContact CG2-CB 4.07Å; F287-C291 CarbonylContact O-C 3.52Å; F287-C291 PolarHBondContact O-N 3.4Å; F287-C291 VanDerWaalsContact O-O 3.08Å; C291-S293 PolarHBondContact O-N 3.35Å; C291-S293 VanDerWaalsContact O-N 3.16Å; C291-F294 HydrophobicContact CB-CD2 3.83Å; C291-F294 HydrophobicContact CB-CE2 4.11Å
292	P	90.4	Very high	90.6	Very high	63 Å²	63	52.2 Å²	52.2	41%	0.409	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-12.9	-178.6	33.2	-41.6	0	0	0	114	K216 F294	K216-P292 HydrophobicContact CD-CG 4.31Å; P292-F294 PolarHBondContact O-N 2.89Å
293	S	89.4	Confident	90.7	Very high	62 Å²	62	54.6 Å²	54.6	43%	0.434	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-16.3	-177.3	-50.2	0	0	0	0	113.5	C291	C291-S293 PolarHBondContact O-N 3.35Å; C291-S293 VanDerWaalsContact O-N 3.16Å
294	F	90.9	Very high	90.7	Very high	8 Å²	8	62.7 Å²	62.7	4%	0.035	31%	0.305	C	S	.	.	S	Bend	trans	-82.1	134.4	177.8	-74	-70.3	0	0	0	112.3	L258 A259 A262 W268 C291 P292 I296 H320 I321	L258-F294 HydrophobicContact CB-CZ 4.36Å; A259-F294 HydrophobicContact CB-CE2 4.33Å; A262-F294 HydrophobicContact CB-CE1 4.1Å; A262-F294 HydrophobicContact CB-CZ 3.91Å; W268-F294 AromaticContact CE3-CD1 3.87Å; W268-F294 HydrophobicContact CE3-CD1 3.87Å; W268-F294 AromaticContact CE3-CE1 3.65Å; W268-F294 HydrophobicContact CE3-CE1 3.65Å; W268-F294 HydrophobicContact CZ3-CD1 4.09Å; W268-F294 AromaticContact CZ3-CE1 3.95Å; W268-F294 HydrophobicContact CZ3-CE1 3.95Å; C291-F294 HydrophobicContact CB-CD2 3.83Å; C291-F294 HydrophobicContact CB-CE2 4.11Å; P292-F294 PolarHBondContact O-N 2.89Å; F294-I296 HydrophobicContact CB-CG1 4.33Å; F294-I296 PolarHBondContact O-N 2.94Å; F294-H320 HydrophobicContact CD1-CB 4.05Å; F294-I321 HydrophobicContact CB-CD1 4.03Å; F294-I321 HydrophobicContact CD1-CD1 3.98Å; F294-I321 HydrophobicContact CD1-CG1 4.38Å; F294-I321 HydrophobicContact CD2-CD1 4.23Å; F294-I321 HydrophobicContact CG-CD1 3.83Å
295	K	92.6	Very high	90.7	Very high	114 Å²	114	65 Å²	65	50%	0.496	32%	0.316	S	S	.	.			trans	-78.3	109.9	166.9	-65.8	-179.7	-177.1	175.9	0	109.6	H320 I321	K295-H320 PolarHBondContact N-ND1 2.98Å; K295-H320 PolarHBondContact O-N 3.03Å; K295-I321 PolarHBondContact O-N 2.94Å
296	I	93.6	Very high	90.8	Very high	41 Å²	41	62 Å²	62	21%	0.21	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	131.9	-175.6	-55.5	140.1	0	0	0	109.5	F287 F294 T298 I321 I323	F287-I296 HydrophobicContact CB-CD1 3.42Å; F287-I296 VanDerWaalsContact CB-CD1 3.42Å; F287-I296 HydrophobicContact CB-CG1 4.17Å; F287-I296 HydrophobicContact CG-CD1 4.15Å; F287-I296 HydrophobicContact CG-CG1 4.38Å; F294-I296 HydrophobicContact CB-CG1 4.33Å; F294-I296 PolarHBondContact O-N 2.94Å; I296-T298 HydrophobicContact CG2-CG2 4.45Å; I296-I321 WeakPolarHBondContact CA-O 3.42Å; I296-I323 HydrophobicContact CG2-CD1 3.57Å; I296-I323 HydrophobicContact CG2-CG1 4.06Å
297	L	92.8	Very high	90.7	Very high	34 Å²	34	66.1 Å²	66.1	18%	0.178	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	114.8	171.6	-179.6	68.7	0	0	0	110.1	K309 W313 F319 I321 C322 I323	L297-K309 HydrophobicContact CD1-CG 4.47Å; L297-W313 HydrophobicContact CD2-CE3 4.21Å; L297-W313 HydrophobicContact CD2-CZ3 3.66Å; L297-F319 HydrophobicContact CB-CB 3.84Å; L297-F319 HydrophobicContact CB-CD1 4.17Å; L297-F319 HydrophobicContact CB-CD2 4.23Å; L297-F319 HydrophobicContact CB-CG 3.83Å; L297-F319 HydrophobicContact CD2-CD1 3.58Å; L297-F319 HydrophobicContact CD2-CE1 3.56Å; L297-F319 HydrophobicContact CD2-CG 4.07Å; L297-F319 HydrophobicContact CD2-CZ 4.02Å; L297-F319 HydrophobicContact CG-CD1 4.49Å; L297-I321 PolarHBondContact N-O 3.27Å; L297-C322 WeakPolarHBondContact O-CA 3.19Å; L297-I323 PolarHBondContact O-N 2.59Å
298	T	93	Very high	90.6	Very high	16 Å²	16	71.5 Å²	71.5	10%	0.098	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	114	174	48.4	0	0	0	0	111.3	L280 E284 I296 Y300 K309 I323	L280-T298 HydrophobicContact CD2-CG2 4.04Å; E284-T298 HydrophobicContact CB-CG2 3.87Å; E284-T298 HydrophobicContact CG-CG2 3.82Å; E284-T298 WeakPolarHBondContact OE2-CG2 3.19Å; I296-T298 HydrophobicContact CG2-CG2 4.45Å; T298-Y300 PolarHBondContact O-N 2.98Å; T298-K309 WeakPolarHBondContact O-CD 3.43Å; T298-K309 WeakPolarHBondContact O-CE 3.35Å; T298-K309 PolarHBondContact O-NZ 3.49Å; T298-I323 HydrophobicContact CG2-CB 4.44Å; T298-I323 HydrophobicContact CG2-CD1 4.36Å
299	Y	91.8	Very high	90.4	Very high	1 Å²	1	68.2 Å²	68.2	0%	0.004	33%	0.327	C	S	.	.			trans	-94.5	91.6	-177.7	-161.8	-96.9	0	0	0	110.8	R306 K309 R310 W313 I323 L328 D332 F336	Y299-R306 HydrophobicContact CE1-CG 4.09Å; Y299-R306 HydrophobicContact CE2-CB 4.47Å; Y299-R306 HydrophobicContact CE2-CG 4.37Å; Y299-R306 WeakPolarHBondContact OH-CB 3.48Å; Y299-K309 HydrophobicContact CD2-CB 4.46Å; Y299-K309 HydrophobicContact CE2-CB 4.37Å; Y299-R310 HydrophobicContact CE2-CG 4.44Å; Y299-R310 VanDerWaalsContact OH-CZ 3.26Å; Y299-R310 PolarHBondContact OH-NE 3.22Å; Y299-R310 PolarHBondContact OH-NH2 3.01Å; Y299-W313 HydrophobicContact CD2-CH2 4.45Å; Y299-W313 HydrophobicContact CD2-CZ3 4.16Å; Y299-W313 HydrophobicContact CE2-CZ3 4.4Å; Y299-I323 PolarHBondContact N-O 2.83Å; Y299-L328 HydrophobicContact CD1-CB 4.34Å; Y299-L328 HydrophobicContact CD1-CD1 4.12Å; Y299-L328 WeakPolarHBondContact O-CD1 3.31Å; Y299-D332 WeakPolarHBondContact CE1-OD2 3.22Å; Y299-D332 PolarHBondContact OH-OD2 3.46Å; Y299-F336 HydrophobicContact CD1-CE2 4.22Å; Y299-F336 AromaticContact CD1-CZ 3.84Å; Y299-F336 HydrophobicContact CD1-CZ 3.84Å; Y299-F336 HydrophobicContact CE1-CE2 4.05Å; Y299-F336 HydrophobicContact CE1-CZ 4.07Å; Y299-F336 HydrophobicContact CG-CZ 4.11Å
300	Y	88.7	Confident	90.3	Very high	108 Å²	108	65.4 Å²	65.4	42%	0.424	31%	0.313	S	S	.	.			trans	-147.5	169.5	174.2	72.5	-82	0	0	0	109.6	L280 T298 K309	L280-Y300 HydrophobicContact CD2-CD1 4.15Å; T298-Y300 PolarHBondContact O-N 2.98Å; Y300-K309 PolarHBondContact O-NZ 3.37Å
301	G	85.5	Confident	90	Very high	23 Å²	23	73.5 Å²	73.5	24%	0.237	34%	0.344	C	S	.	.	S	Bend	trans	117.4	-173.2	174.1	0	0	0	0	0	115	E305 R306	G301-E305 WeakPolarHBondContact CA-OE2 3.46Å; G301-R306 VanDerWaalsContact O-CZ 3.3Å; G301-R306 PolarHBondContact O-NE 2.7Å; G301-R306 PolarHBondContact O-NH2 2.71Å
302	H	87.4	Confident	89.6	Confident	146 Å²	146	74.6 Å²	74.6	68%	0.676	36%	0.355	S	S	*	.			trans	-74.6	169	175.4	-63.4	-76.1	0	0	0	111.7	K304 E305 R306	H302-K304 PolarHBondContact O-N 3.2Å; H302-E305 PolarHBondContact N-OE2 3.04Å; H302-E305 VanDerWaalsContact N-OE2 3.1Å; H302-E305 PolarHBondContact O-N 3.42Å; H302-R306 WeakPolarHBondContact O-CB 3.36Å; H302-R306 WeakPolarHBondContact O-CG 3.49Å; H302-R306 PolarHBondContact O-N 2.85Å
303	L	89.2	Confident	89.3	Confident	97 Å²	97	72.2 Å²	72.2	51%	0.508	34%	0.338	S	S	.	.	H	α-helix	trans	-59.6	-30.8	-177.6	-172.6	64.3	0	0	0	113.1	K307	L303-K307 WeakPolarHBondContact O-CG 3.49Å; L303-K307 PolarHBondContact O-N 2.89Å; L303-K307 VanDerWaalsContact O-N 3.1Å
304	K	90.8	Very high	88.9	Confident	170 Å²	170	73.9 Å²	73.9	74%	0.739	35%	0.349	S	S	*	.	H	α-helix	trans	-67.5	-54.6	177.3	-68.5	-175.2	-179.7	179.1	0	111.7	H302 R306 K307 E308	H302-K304 PolarHBondContact O-N 3.2Å; K304-R306 PolarHBondContact O-N 2.91Å; K304-K307 WeakPolarHBondContact O-CB 3.47Å; K304-K307 PolarHBondContact O-N 3.44Å; K304-E308 PolarHBondContact O-N 3.43Å; K304-E308 VanDerWaalsContact O-N 3.08Å
305	E	90.5	Very high	88.4	Confident	83 Å²	83	80.6 Å²	80.6	39%	0.388	38%	0.378	S	S	.	.	H	α-helix	trans	-57.6	-38.3	175.6	-64.6	170.1	170.3	0	0	111.7	G301 H302 K307 E308 K309	G301-E305 WeakPolarHBondContact CA-OE2 3.46Å; H302-E305 PolarHBondContact N-OE2 3.04Å; H302-E305 VanDerWaalsContact N-OE2 3.1Å; H302-E305 PolarHBondContact O-N 3.42Å; E305-K307 VanDerWaalsContact C-N 3.35Å; E305-K307 PolarHBondContact O-N 3.47Å; E305-E308 WeakPolarHBondContact O-CB 3.45Å; E305-E308 PolarHBondContact O-N 2.94Å; E305-K309 WeakPolarHBondContact O-CG 3.43Å; E305-K309 PolarHBondContact O-N 3.39Å
306	R	90.5	Very high	87.7	Confident	35 Å²	35	82.1 Å²	82.1	13%	0.132	39%	0.392	C	S	.	.	H	α-helix	trans	-62.7	-38.4	174.4	-77.2	-174.1	-135.6	176.2	3.8	112.9	Y299 G301 H302 K304 E308 R310 L328 D332	Y299-R306 HydrophobicContact CE1-CG 4.09Å; Y299-R306 HydrophobicContact CE2-CB 4.47Å; Y299-R306 HydrophobicContact CE2-CG 4.37Å; Y299-R306 WeakPolarHBondContact OH-CB 3.48Å; G301-R306 VanDerWaalsContact O-CZ 3.3Å; G301-R306 PolarHBondContact O-NE 2.7Å; G301-R306 PolarHBondContact O-NH2 2.71Å; H302-R306 WeakPolarHBondContact O-CB 3.36Å; H302-R306 WeakPolarHBondContact O-CG 3.49Å; H302-R306 PolarHBondContact O-N 2.85Å; K304-R306 PolarHBondContact O-N 2.91Å; R306-E308 VanDerWaalsContact C-N 3.33Å; R306-R310 WeakPolarHBondContact O-CG 3.49Å; R306-R310 PolarHBondContact O-N 2.63Å; R306-R310 VanDerWaalsContact O-N 3.14Å; R306-L328 VanDerWaalsContact NH2-CD2 3.34Å; R306-D332 IonicContact NH1-OD2 3.96Å
307	K	89.9	Confident	87	Confident	128 Å²	128	85.4 Å²	85.4	56%	0.557	41%	0.409	S	S	*	.	H	α-helix	trans	-67.5	-36.2	175.1	-75.5	174.2	-179.8	-176.1	0	111.1	L303 K304 E305 R310 R311	L303-K307 WeakPolarHBondContact O-CG 3.49Å; L303-K307 PolarHBondContact O-N 2.89Å; L303-K307 VanDerWaalsContact O-N 3.1Å; K304-K307 WeakPolarHBondContact O-CB 3.47Å; K304-K307 PolarHBondContact O-N 3.44Å; E305-K307 VanDerWaalsContact C-N 3.35Å; E305-K307 PolarHBondContact O-N 3.47Å; K307-R310 PolarHBondContact O-N 3.33Å; K307-R311 PolarHBondContact O-N 2.97Å
308	E	90.7	Very high	86.6	Confident	114 Å²	114	87.3 Å²	87.3	53%	0.533	42%	0.42	S	S	.	.	H	α-helix	trans	-66.5	-47.1	174.7	-69.5	170.9	-177.2	0	0	111.7	K304 E305 R306 R310 R311	K304-E308 PolarHBondContact O-N 3.43Å; K304-E308 VanDerWaalsContact O-N 3.08Å; E305-E308 WeakPolarHBondContact O-CB 3.45Å; E305-E308 PolarHBondContact O-N 2.94Å; R306-E308 VanDerWaalsContact C-N 3.33Å; E308-R310 PolarHBondContact O-N 2.9Å; E308-R310 VanDerWaalsContact O-N 3.14Å; E308-R311 VanDerWaalsContact O-CB 3.26Å; E308-R311 WeakPolarHBondContact O-CB 3.49Å; E308-R311 WeakPolarHBondContact O-CG 3.48Å; E308-R311 PolarHBondContact O-N 3.19Å
309	K	89.1	Confident	86.5	Confident	49 Å²	49	86.8 Å²	86.8	21%	0.213	42%	0.416	C	S	.	.	H	α-helix	trans	-60.5	-22.5	173.7	-70.2	178.7	-179.1	179.8	0	113.3	L297 T298 Y299 Y300 E305	L297-K309 HydrophobicContact CD1-CG 4.47Å; T298-K309 WeakPolarHBondContact O-CD 3.43Å; T298-K309 WeakPolarHBondContact O-CE 3.35Å; T298-K309 PolarHBondContact O-NZ 3.49Å; Y299-K309 HydrophobicContact CD2-CB 4.46Å; Y299-K309 HydrophobicContact CE2-CB 4.37Å; Y300-K309 PolarHBondContact O-NZ 3.37Å; E305-K309 WeakPolarHBondContact O-CG 3.43Å; E305-K309 PolarHBondContact O-N 3.39Å
310	R	88.2	Confident	86.5	Confident	56 Å²	56	87.7 Å²	87.7	21%	0.211	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-10.5	174.5	-73.5	173.4	-163.5	170.7	16.3	113.6	Y299 R306 K307 E308 G312 W313 D332 T335	Y299-R310 HydrophobicContact CE2-CG 4.44Å; Y299-R310 VanDerWaalsContact OH-CZ 3.26Å; Y299-R310 PolarHBondContact OH-NE 3.22Å; Y299-R310 PolarHBondContact OH-NH2 3.01Å; R306-R310 WeakPolarHBondContact O-CG 3.49Å; R306-R310 PolarHBondContact O-N 2.63Å; R306-R310 VanDerWaalsContact O-N 3.14Å; K307-R310 PolarHBondContact O-N 3.33Å; E308-R310 PolarHBondContact O-N 2.9Å; E308-R310 VanDerWaalsContact O-N 3.14Å; R310-G312 PolarHBondContact O-N 3.18Å; R310-G312 VanDerWaalsContact O-N 3.09Å; R310-W313 WeakPolarHBondContact O-CB 3.47Å; R310-W313 PolarHBondContact O-N 3.48Å; R310-D332 IonicContact CZ-OD1 3.83Å; R310-D332 IonicContact NH2-OD1 2.88Å; R310-D332 PolarHBondContact NH2-OD1 3.08Å; R310-D332 IonicContact NH2-OD2 3.7Å; R310-D332 PolarHBondContact NH2-OD2 3.18Å; R310-T335 HydrophobicContact CG-CG2 4.3Å
311	R	85.9	Confident	86.8	Confident	195 Å²	195	82.6 Å²	82.6	74%	0.736	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	115	175	-65.5	-178.3	-177	-170.4	4.4	108.5	K307 E308	K307-R311 PolarHBondContact O-N 2.97Å; E308-R311 VanDerWaalsContact O-CB 3.26Å; E308-R311 WeakPolarHBondContact O-CB 3.49Å; E308-R311 WeakPolarHBondContact O-CG 3.48Å; E308-R311 PolarHBondContact O-N 3.19Å
312	G	81.9	Confident	87.2	Confident	24 Å²	24	81.5 Å²	81.5	25%	0.247	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	21.1	-175.3	0	0	0	0	0	115.2	R310 C314 K315 N318	R310-G312 PolarHBondContact O-N 3.18Å; R310-G312 VanDerWaalsContact O-N 3.09Å; G312-C314 VanDerWaalsContact C-N 3.27Å; G312-C314 PolarHBondContact O-N 2.85Å; G312-K315 PolarHBondContact O-N 3.09Å; G312-K315 VanDerWaalsContact O-N 3.11Å; G312-N318 PolarHBondContact O-ND2 2.83Å
313	W	82.9	Confident	87.6	Confident	12 Å²	12	74.5 Å²	74.5	5%	0.045	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-37	179.7	-173.6	-99	0	0	0	114.4	L297 Y299 R310 F319 F336 W341	L297-W313 HydrophobicContact CD2-CE3 4.21Å; L297-W313 HydrophobicContact CD2-CZ3 3.66Å; Y299-W313 HydrophobicContact CD2-CH2 4.45Å; Y299-W313 HydrophobicContact CD2-CZ3 4.16Å; Y299-W313 HydrophobicContact CE2-CZ3 4.4Å; R310-W313 WeakPolarHBondContact O-CB 3.47Å; R310-W313 PolarHBondContact O-N 3.48Å; W313-F319 HydrophobicContact CD2-CE1 4.26Å; W313-F319 HydrophobicContact CD2-CZ 4.1Å; W313-F319 AromaticContact CE3-CE1 3.77Å; W313-F319 HydrophobicContact CE3-CE1 3.77Å; W313-F319 AromaticContact CE3-CZ 3.78Å; W313-F319 HydrophobicContact CE3-CZ 3.78Å; W313-F319 AromaticContact CH2-CZ 3.82Å; W313-F319 HydrophobicContact CH2-CZ 3.82Å; W313-F319 HydrophobicContact CZ2-CZ 4.13Å; W313-F319 AromaticContact CZ3-CE1 3.94Å; W313-F319 HydrophobicContact CZ3-CE1 3.94Å; W313-F319 AromaticContact CZ3-CZ 3.64Å; W313-F319 HydrophobicContact CZ3-CZ 3.64Å; W313-F336 HydrophobicContact CH2-CD1 4.27Å; W313-F336 AromaticContact CH2-CE1 3.59Å; W313-F336 HydrophobicContact CH2-CE1 3.59Å; W313-F336 HydrophobicContact CH2-CZ 4.03Å; W313-F336 AromaticContact CZ2-CD1 3.79Å; W313-F336 HydrophobicContact CZ2-CD1 3.79Å; W313-F336 AromaticContact CZ2-CE1 3.6Å; W313-F336 HydrophobicContact CZ2-CE1 3.6Å; W313-F336 HydrophobicContact CZ2-CZ 4.26Å; W313-W341 HydrophobicContact CH2-CH2 4.42Å; W313-W341 AromaticContact CZ2-CH2 3.92Å; W313-W341 HydrophobicContact CZ2-CH2 3.92Å; W313-W341 AromaticContact CZ2-CZ2 3.89Å; W313-W341 HydrophobicContact CZ2-CZ2 3.89Å
314	C	80.8	Confident	87.9	Confident	97 Å²	97	69.9 Å²	69.9	66%	0.655	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	0	-179.9	-58.6	0	0	0	0	113.7	G312	G312-C314 VanDerWaalsContact C-N 3.27Å; G312-C314 PolarHBondContact O-N 2.85Å
315	K	81.8	Confident	87.9	Confident	150 Å²	150	62 Å²	62	65%	0.652	30%	0.299	S	S	*	.	S	Bend	trans	-73.8	137.5	176	-68.2	-175.1	177.3	-174	0	109.2	G312	G312-K315 PolarHBondContact O-N 3.09Å; G312-K315 VanDerWaalsContact O-N 3.11Å
316	D	77.2	Confident	87.9	Confident	146 Å²	146	58.6 Å²	58.6	78%	0.781	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	145.4	175.4	-61	-35.5	0	0	0	110.5	N318	D316-N318 PolarHBondContact O-N 2.69Å
317	N	77.7	Confident	87.9	Confident	109 Å²	109	64.1 Å²	64.1	58%	0.583	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	17	176	-60.5	-16.7	0	0	0	117.6
318	N	85.8	Confident	88	Confident	74 Å²	74	58.7 Å²	58.7	40%	0.396	28%	0.284	S	S	.	.	S	Bend	trans	-65	-46.8	171.6	-169.2	9.3	0	0	0	111.1	G312 D316	G312-N318 PolarHBondContact O-ND2 2.83Å; D316-N318 PolarHBondContact O-N 2.69Å
319	F	90.4	Very high	88	Confident	5 Å²	5	53.3 Å²	53.3	2%	0.022	26%	0.26	C	S	.	.			trans	-145.1	146.4	172	59.3	-90.1	0	0	0	110.3	L297 W313 C322 W341	L297-F319 HydrophobicContact CB-CB 3.84Å; L297-F319 HydrophobicContact CB-CD1 4.17Å; L297-F319 HydrophobicContact CB-CD2 4.23Å; L297-F319 HydrophobicContact CB-CG 3.83Å; L297-F319 HydrophobicContact CD2-CD1 3.58Å; L297-F319 HydrophobicContact CD2-CE1 3.56Å; L297-F319 HydrophobicContact CD2-CG 4.07Å; L297-F319 HydrophobicContact CD2-CZ 4.02Å; L297-F319 HydrophobicContact CG-CD1 4.49Å; W313-F319 HydrophobicContact CD2-CE1 4.26Å; W313-F319 HydrophobicContact CD2-CZ 4.1Å; W313-F319 AromaticContact CE3-CE1 3.77Å; W313-F319 HydrophobicContact CE3-CE1 3.77Å; W313-F319 AromaticContact CE3-CZ 3.78Å; W313-F319 HydrophobicContact CE3-CZ 3.78Å; W313-F319 AromaticContact CH2-CZ 3.82Å; W313-F319 HydrophobicContact CH2-CZ 3.82Å; W313-F319 HydrophobicContact CZ2-CZ 4.13Å; W313-F319 AromaticContact CZ3-CE1 3.94Å; W313-F319 HydrophobicContact CZ3-CE1 3.94Å; W313-F319 AromaticContact CZ3-CZ 3.64Å; W313-F319 HydrophobicContact CZ3-CZ 3.64Å; F319-C322 HydrophobicContact CD2-CB 3.94Å; F319-C322 HydrophobicContact CE2-CB 3.48Å; F319-C322 VanDerWaalsContact CE2-CB 3.48Å; F319-C322 HydrophobicContact CZ-CB 4.3Å; F319-W341 HydrophobicContact CE2-CH2 4.01Å; F319-W341 HydrophobicContact CE2-CZ3 4.11Å; F319-W341 HydrophobicContact CZ-CH2 4.32Å
320	H	92.1	Very high	88.1	Confident	21 Å²	21	53 Å²	53	10%	0.097	26%	0.262	C	S	.	.	S	Bend	trans	-87.1	-44	176.9	-60.1	157.5	0	0	0	110	W268 P270 H271 F294 K295	W268-H320 AromaticContact CE3-CE1 3.81Å; W268-H320 AromaticContact CE3-ND1 3.66Å; W268-H320 VanDerWaalsContact O-CB 3.27Å; W268-H320 WeakPolarHBondContact O-CB 3.44Å; P270-H320 WeakPolarHBondContact CA-O 3.27Å; H271-H320 PolarHBondContact N-O 3Å; F294-H320 HydrophobicContact CD1-CB 4.05Å; K295-H320 PolarHBondContact N-ND1 2.98Å; K295-H320 PolarHBondContact O-N 3.03Å
321	I	94.3	Very high	88.2	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127.7	-174.9	-55.7	177.7	0	0	0	109.3	L258 H271 V273 F287 F294 K295 I296 L297 I323	L258-I321 HydrophobicContact CD1-CD1 3.82Å; H271-I321 HydrophobicContact CB-CG1 4.4Å; H271-I321 WeakPolarHBondContact O-CA 3.2Å; V273-I321 HydrophobicContact CG2-CG2 3.86Å; F287-I321 HydrophobicContact CD1-CD1 4.05Å; F287-I321 HydrophobicContact CE1-CD1 3.39Å; F287-I321 HydrophobicContact CE2-CG2 4.21Å; F287-I321 HydrophobicContact CZ-CD1 3.78Å; F287-I321 HydrophobicContact CZ-CG2 4.03Å; F294-I321 HydrophobicContact CB-CD1 4.03Å; F294-I321 HydrophobicContact CD1-CD1 3.98Å; F294-I321 HydrophobicContact CD1-CG1 4.38Å; F294-I321 HydrophobicContact CD2-CD1 4.23Å; F294-I321 HydrophobicContact CG-CD1 3.83Å; K295-I321 PolarHBondContact O-N 2.94Å; I296-I321 WeakPolarHBondContact CA-O 3.42Å; L297-I321 PolarHBondContact N-O 3.27Å; I321-I323 HydrophobicContact CG2-CG1 4.27Å
322	C	94.7	Very high	88.5	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.3	168.7	-178.1	0	0	0	0	110.5	H271 L272 V273 L297 F319 W341	H271-C322 PolarHBondContact O-N 2.98Å; L272-C322 HydrophobicContact CD1-CB 4.26Å; V273-C322 PolarHBondContact N-O 3.12Å; L297-C322 WeakPolarHBondContact O-CA 3.19Å; F319-C322 HydrophobicContact CD2-CB 3.94Å; F319-C322 HydrophobicContact CE2-CB 3.48Å; F319-C322 VanDerWaalsContact CE2-CB 3.48Å; F319-C322 HydrophobicContact CZ-CB 4.3Å; C322-W341 HydrophobicContact CB-CH2 4.08Å; C322-W341 HydrophobicContact CB-CZ3 4.2Å
323	I	95.4	Very high	88.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	124	175.3	-51.2	172.4	0	0	0	107.8	V273 V275 L280 W283 F287 I296 L297 T298 Y299 I321	V273-I323 HydrophobicContact CB-CG1 4.46Å; V273-I323 WeakPolarHBondContact O-CA 3.48Å; V275-I323 HydrophobicContact CG1-CG2 4.49Å; V275-I323 HydrophobicContact CG2-CG2 3.93Å; L280-I323 HydrophobicContact CG-CG2 4.06Å; W283-I323 HydrophobicContact CB-CD1 4.13Å; W283-I323 HydrophobicContact CB-CG2 4.35Å; F287-I323 HydrophobicContact CD2-CD1 3.69Å; F287-I323 HydrophobicContact CE2-CD1 3.84Å; F287-I323 HydrophobicContact CE2-CG1 4.31Å; I296-I323 HydrophobicContact CG2-CD1 3.57Å; I296-I323 HydrophobicContact CG2-CG1 4.06Å; L297-I323 PolarHBondContact O-N 2.59Å; T298-I323 HydrophobicContact CG2-CB 4.44Å; T298-I323 HydrophobicContact CG2-CD1 4.36Å; Y299-I323 PolarHBondContact N-O 2.83Å; I321-I323 HydrophobicContact CG2-CG1 4.27Å
324	T	94.4	Very high	89.2	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	172	-179.1	-166.7	0	0	0	0	111.5	L272 V273 I274 V275 V329 F336	L272-T324 HydrophobicContact CD1-CG2 3.9Å; V273-T324 PolarHBondContact O-N 3.29Å; I274-T324 WeakPolarHBondContact CA-O 3.34Å; I274-T324 HydrophobicContact CG1-CG2 3.98Å; V275-T324 PolarHBondContact N-O 3.08Å; T324-V329 HydrophobicContact CG2-CG2 3.35Å; T324-F336 HydrophobicContact CG2-CE1 4.32Å; T324-F336 HydrophobicContact CG2-CZ 4.3Å
325	S	92.2	Very high	89.6	Confident	4 Å²	4	48.6 Å²	48.6	3%	0.028	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	152.3	178.4	71.8	0	0	0	0	113.4	V275 K327 L328 V329	V275-S325 VanDerWaalsContact O-CA 3.22Å; V275-S325 WeakPolarHBondContact O-CA 3.5Å; S325-K327 PolarHBondContact O-N 2.9Å; S325-K327 VanDerWaalsContact O-N 3.11Å; S325-L328 PolarHBondContact O-N 3.5Å; S325-L328 WeakPolarHBondContact OG-CD1 3.46Å; S325-L328 VanDerWaalsContact OG-CG 3.3Å; S325-L328 WeakPolarHBondContact OG-CG 3.37Å; S325-V329 WeakPolarHBondContact O-CG2 3.41Å; S325-V329 PolarHBondContact O-N 3.26Å; S325-V329 VanDerWaalsContact O-N 3.12Å
326	Y	91	Very high	90.1	Very high	12 Å²	12	41.4 Å²	41.4	5%	0.047	22%	0.217	C	C	.	.	H	α-helix	trans	-50.4	-38.4	179.1	-72.6	-79.4	0	0	0	113.9	I274 P276 L346 D347 N351 I352 L363	I274-Y326 HydrophobicContact CG2-CD1 3.62Å; I274-Y326 HydrophobicContact CG2-CD2 4.1Å; I274-Y326 HydrophobicContact CG2-CE1 3.74Å; I274-Y326 HydrophobicContact CG2-CE2 4.21Å; I274-Y326 HydrophobicContact CG2-CG 3.81Å; P276-Y326 HydrophobicContact CG-CE2 4.48Å; Y326-L346 HydrophobicContact CE1-CD2 4.41Å; Y326-D347 WeakPolarHBondContact CE2-O 3.48Å; Y326-D347 PolarHBondContact OH-O 3.06Å; Y326-N351 HydrophobicContact CD2-CB 4.24Å; Y326-N351 HydrophobicContact CE1-CB 4.29Å; Y326-N351 HydrophobicContact CE2-CB 4Å; Y326-N351 HydrophobicContact CG-CB 4.48Å; Y326-I352 HydrophobicContact CD1-CG2 4.35Å; Y326-I352 HydrophobicContact CE1-CG2 3.86Å; Y326-L363 HydrophobicContact CD1-CD1 4.35Å; Y326-L363 HydrophobicContact CE1-CD1 4.3Å
327	K	89.4	Confident	90.7	Very high	150 Å²	150	41.6 Å²	41.6	65%	0.652	21%	0.206	S	C	*	.	H	α-helix	trans	-67.4	-44.6	179.3	-68.3	-174.5	178.9	-177.5	0	111.7	S325 V329 V330 Q331	S325-K327 PolarHBondContact O-N 2.9Å; S325-K327 VanDerWaalsContact O-N 3.11Å; K327-V329 VanDerWaalsContact C-N 3.32Å; K327-V329 PolarHBondContact O-N 3.45Å; K327-V330 PolarHBondContact O-N 3.45Å; K327-Q331 WeakPolarHBondContact O-CG 3.35Å; K327-Q331 PolarHBondContact O-N 3.07Å
328	L	91.5	Very high	91.2	Very high	14 Å²	14	46.3 Å²	46.3	7%	0.073	22%	0.216	C	C	.	.	H	α-helix	trans	-67.1	-35.7	-177.6	-64.9	175.7	0	0	0	111.9	Y299 R306 S325 V330 Q331 D332	Y299-L328 HydrophobicContact CD1-CB 4.34Å; Y299-L328 HydrophobicContact CD1-CD1 4.12Å; Y299-L328 WeakPolarHBondContact O-CD1 3.31Å; R306-L328 VanDerWaalsContact NH2-CD2 3.34Å; S325-L328 PolarHBondContact O-N 3.5Å; S325-L328 WeakPolarHBondContact OG-CD1 3.46Å; S325-L328 VanDerWaalsContact OG-CG 3.3Å; S325-L328 WeakPolarHBondContact OG-CG 3.37Å; L328-V330 VanDerWaalsContact C-N 3.3Å; L328-V330 PolarHBondContact O-N 3.27Å; L328-Q331 PolarHBondContact O-N 3.4Å; L328-D332 WeakPolarHBondContact O-CB 3.39Å; L328-D332 PolarHBondContact O-N 2.94Å
329	V	92	Very high	91.3	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.012	20%	0.202	C	C	.	.	H	α-helix	trans	-62.5	-38	178	175.5	0	0	0	0	112	I274 T324 S325 K327 Y333 L363 F366	I274-V329 HydrophobicContact CD1-CG1 4.31Å; I274-V329 HydrophobicContact CD1-CG2 3.93Å; I274-V329 HydrophobicContact CG1-CG2 4.21Å; I274-V329 HydrophobicContact CG2-CG2 4.28Å; T324-V329 HydrophobicContact CG2-CG2 3.35Å; S325-V329 WeakPolarHBondContact O-CG2 3.41Å; S325-V329 PolarHBondContact O-N 3.26Å; S325-V329 VanDerWaalsContact O-N 3.12Å; K327-V329 VanDerWaalsContact C-N 3.32Å; K327-V329 PolarHBondContact O-N 3.45Å; V329-Y333 WeakPolarHBondContact O-CA 3.42Å; V329-Y333 PolarHBondContact O-N 3.2Å; V329-Y333 VanDerWaalsContact O-N 3.07Å; V329-L363 HydrophobicContact CG1-CD2 3.76Å; V329-F366 HydrophobicContact CG1-CE2 3.43Å; V329-F366 VanDerWaalsContact CG1-CE2 3.43Å; V329-F366 HydrophobicContact CG1-CZ 3.51Å
330	V	90.8	Very high	91.3	Very high	42 Å²	42	51.3 Å²	51.3	26%	0.255	23%	0.233	S	C	.	.	H	α-helix	trans	-71	-44.6	175.5	177.3	0	0	0	0	111.2	K327 L328 D332 M358 R359	K327-V330 PolarHBondContact O-N 3.45Å; L328-V330 VanDerWaalsContact C-N 3.3Å; L328-V330 PolarHBondContact O-N 3.27Å; V330-D332 VanDerWaalsContact C-N 3.34Å; V330-D332 PolarHBondContact O-N 3.34Å; V330-M358 HydrophobicContact CG1-CG 4.32Å; V330-M358 HydrophobicContact CG1-SD 3.77Å; V330-R359 HydrophobicContact CG2-CB 4.28Å; V330-R359 HydrophobicContact CG2-CG 3.52Å
331	Q	90.5	Very high	91.4	Very high	126 Å²	126	50.5 Å²	50.5	59%	0.589	23%	0.229	S	C	*	.	H	α-helix	trans	-61.1	-43.3	178.9	-71.1	179.8	-10.1	0	0	112	K327 L328	K327-Q331 WeakPolarHBondContact O-CG 3.35Å; K327-Q331 PolarHBondContact O-N 3.07Å; L328-Q331 PolarHBondContact O-N 3.4Å
332	D	91	Very high	91.3	Very high	18 Å²	18	53 Å²	53	10%	0.096	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	24.5	-172.7	-65	-43	0	0	0	112.9	Y299 R306 R310 L328 V330 A334 T335 F336	Y299-D332 WeakPolarHBondContact CE1-OD2 3.22Å; Y299-D332 PolarHBondContact OH-OD2 3.46Å; R306-D332 IonicContact NH1-OD2 3.96Å; R310-D332 IonicContact CZ-OD1 3.83Å; R310-D332 IonicContact NH2-OD1 2.88Å; R310-D332 PolarHBondContact NH2-OD1 3.08Å; R310-D332 IonicContact NH2-OD2 3.7Å; R310-D332 PolarHBondContact NH2-OD2 3.18Å; L328-D332 WeakPolarHBondContact O-CB 3.39Å; L328-D332 PolarHBondContact O-N 2.94Å; V330-D332 VanDerWaalsContact C-N 3.34Å; V330-D332 PolarHBondContact O-N 3.34Å; D332-A334 VanDerWaalsContact C-N 3.26Å; D332-A334 PolarHBondContact O-N 3.26Å; D332-A334 VanDerWaalsContact O-N 3.12Å; D332-T335 WeakPolarHBondContact O-CB 3.34Å; D332-T335 PolarHBondContact O-N 2.91Å; D332-F336 HydrophobicContact CB-CD2 4.08Å; D332-F336 HydrophobicContact CB-CE2 3.96Å; D332-F336 WeakPolarHBondContact O-CD2 3.36Å; D332-F336 PolarHBondContact O-N 2.69Å
333	Y	90.6	Very high	91.3	Very high	53 Å²	53	53.5 Å²	53.5	21%	0.208	24%	0.243	C	C	.	.	H	α-helix	trans	-47.1	-45.3	-174.9	173.9	-107.5	0	0	0	113.6	V329 T335 F336 R337 A362 N365 F366	V329-Y333 WeakPolarHBondContact O-CA 3.42Å; V329-Y333 PolarHBondContact O-N 3.2Å; V329-Y333 VanDerWaalsContact O-N 3.07Å; Y333-T335 PolarHBondContact O-N 2.78Å; Y333-F336 PolarHBondContact O-N 3Å; Y333-R337 WeakPolarHBondContact O-CB 3.47Å; Y333-R337 PolarHBondContact O-N 3.42Å; Y333-A362 HydrophobicContact CD2-CB 3.79Å; Y333-A362 HydrophobicContact CE2-CB 3.97Å; Y333-A362 WeakPolarHBondContact CE2-O 3.36Å; Y333-N365 WeakPolarHBondContact OH-CB 3.17Å; Y333-F366 HydrophobicContact CD2-CD1 4.29Å; Y333-F366 AromaticContact CD2-CE1 3.36Å; Y333-F366 HydrophobicContact CD2-CE1 3.36Å; Y333-F366 AromaticContact CD2-CZ 3.83Å; Y333-F366 HydrophobicContact CD2-CZ 3.83Å; Y333-F366 AromaticContact CE2-CD1 3.79Å; Y333-F366 HydrophobicContact CE2-CD1 3.79Å; Y333-F366 AromaticContact CE2-CE1 3.31Å; Y333-F366 HydrophobicContact CE2-CE1 3.31Å; Y333-F366 HydrophobicContact CE2-CZ 4.14Å; Y333-F366 HydrophobicContact CG-CE1 4.47Å
334	A	90	Very high	91.3	Very high	62 Å²	62	53.6 Å²	53.6	51%	0.512	24%	0.243	S	C	.	.	H	α-helix	trans	-62	-30.1	-179.1	0	0	0	0	0	113.5	D332 R338	D332-A334 VanDerWaalsContact C-N 3.26Å; D332-A334 PolarHBondContact O-N 3.26Å; D332-A334 VanDerWaalsContact O-N 3.12Å; A334-R338 WeakPolarHBondContact O-CG 3.21Å
335	T	89.4	Confident	91.3	Very high	32 Å²	32	53.6 Å²	53.6	20%	0.196	24%	0.243	C	C	.	.	H	α-helix	trans	-78.3	-45.4	179.2	-52.3	0	0	0	0	110.7	R310 D332 Y333 R338	R310-T335 HydrophobicContact CG-CG2 4.3Å; D332-T335 WeakPolarHBondContact O-CB 3.34Å; D332-T335 PolarHBondContact O-N 2.91Å; Y333-T335 PolarHBondContact O-N 2.78Å; T335-R338 PolarHBondContact O-N 3.36Å
336	F	91.1	Very high	91.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-67.6	-36	-179.5	-76.3	-80.3	0	0	0	112.7	L272 Y299 W313 T324 D332 Y333 R338 R339 W341 F366	L272-F336 HydrophobicContact CD1-CD1 4.19Å; L272-F336 HydrophobicContact CD1-CE1 4.02Å; Y299-F336 HydrophobicContact CD1-CE2 4.22Å; Y299-F336 AromaticContact CD1-CZ 3.84Å; Y299-F336 HydrophobicContact CD1-CZ 3.84Å; Y299-F336 HydrophobicContact CE1-CE2 4.05Å; Y299-F336 HydrophobicContact CE1-CZ 4.07Å; Y299-F336 HydrophobicContact CG-CZ 4.11Å; W313-F336 HydrophobicContact CH2-CD1 4.27Å; W313-F336 AromaticContact CH2-CE1 3.59Å; W313-F336 HydrophobicContact CH2-CE1 3.59Å; W313-F336 HydrophobicContact CH2-CZ 4.03Å; W313-F336 AromaticContact CZ2-CD1 3.79Å; W313-F336 HydrophobicContact CZ2-CD1 3.79Å; W313-F336 AromaticContact CZ2-CE1 3.6Å; W313-F336 HydrophobicContact CZ2-CE1 3.6Å; W313-F336 HydrophobicContact CZ2-CZ 4.26Å; T324-F336 HydrophobicContact CG2-CE1 4.32Å; T324-F336 HydrophobicContact CG2-CZ 4.3Å; D332-F336 HydrophobicContact CB-CD2 4.08Å; D332-F336 HydrophobicContact CB-CE2 3.96Å; D332-F336 WeakPolarHBondContact O-CD2 3.36Å; D332-F336 PolarHBondContact O-N 2.69Å; Y333-F336 PolarHBondContact O-N 3Å; F336-R338 VanDerWaalsContact C-N 3.29Å; F336-R338 PolarHBondContact O-N 3.19Å; F336-R339 PolarHBondContact O-N 2.93Å; F336-W341 AromaticContact CD1-CZ2 3.84Å; F336-W341 HydrophobicContact CD1-CZ2 3.84Å; F336-W341 HydrophobicContact CE1-CZ2 4.43Å; F336-W341 PolarHBondContact O-NE1 3.01Å; F336-W341 VanDerWaalsContact O-NE1 3.08Å; F336-F366 HydrophobicContact CB-CE1 4.04Å; F336-F366 HydrophobicContact CB-CE2 4.37Å; F336-F366 HydrophobicContact CB-CZ 3.7Å
337	R	90.4	Very high	91.5	Very high	149 Å²	149	53.2 Å²	53.2	56%	0.562	24%	0.242	S	C	*	.	H	α-helix	trans	-63	-31.2	179	-176	-177.7	175.9	-171.7	-3.4	113.5	Y333 R339 F366	Y333-R337 WeakPolarHBondContact O-CB 3.47Å; Y333-R337 PolarHBondContact O-N 3.42Å; R337-R339 VanDerWaalsContact C-N 3.27Å; R337-R339 PolarHBondContact O-N 3.44Å; R337-F366 HydrophobicContact CB-CD1 4.25Å; R337-F366 HydrophobicContact CB-CE1 4.16Å
338	R	88.5	Confident	91.4	Very high	209 Å²	209	46.8 Å²	46.8	79%	0.789	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-25.5	-176.5	-74.7	175.2	-178.1	-175.3	0.1	113.2	A334 T335 F336	A334-R338 WeakPolarHBondContact O-CG 3.21Å; T335-R338 PolarHBondContact O-N 3.36Å; F336-R338 VanDerWaalsContact C-N 3.29Å; F336-R338 PolarHBondContact O-N 3.19Å
339	R	88.3	Confident	91.2	Very high	29 Å²	29	46.1 Å²	46.1	11%	0.109	21%	0.21	C	C	.	.	S	Bend	trans	-93.9	136.5	179.4	-163.1	170.1	-168.9	-152.1	5	109.7	F336 R337 W341	F336-R339 PolarHBondContact O-N 2.93Å; R337-R339 VanDerWaalsContact C-N 3.27Å; R337-R339 PolarHBondContact O-N 3.44Å; R339-W341 HydrophobicContact CB-CZ2 4.19Å; R339-W341 VanDerWaalsContact O-CD1 3.24Å; R339-W341 PolarHBondContact O-NE1 2.91Å
340	K	90.9	Very high	90.8	Very high	155 Å²	155	47.1 Å²	47.1	67%	0.674	22%	0.215	S	C	*	.			trans	-79.9	129.7	170.1	-60.1	-173.8	-179.5	177.1	0	108.4	P270	P270-K340 VanDerWaalsContact CG-O 3.31Å; P270-K340 WeakPolarHBondContact CG-O 3.3Å
341	W	93.2	Very high	90.4	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.015	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	139	-179.4	-59.8	96.2	0	0	0	109.7	P270 L272 W313 F319 C322 F336 R339 N367 T368 T369	P270-W341 HydrophobicContact CB-CE3 3.85Å; P270-W341 HydrophobicContact CB-CZ3 3.91Å; P270-W341 HydrophobicContact CG-CE3 4.29Å; L272-W341 HydrophobicContact CB-CD2 3.76Å; L272-W341 HydrophobicContact CB-CE3 3.6Å; L272-W341 HydrophobicContact CB-CG 4.21Å; L272-W341 HydrophobicContact CB-CZ3 3.99Å; L272-W341 HydrophobicContact CD1-CH2 4.11Å; L272-W341 HydrophobicContact CD1-CZ2 4.26Å; L272-W341 HydrophobicContact CD1-CZ3 4.32Å; L272-W341 HydrophobicContact CD2-CD2 4.25Å; L272-W341 HydrophobicContact CD2-CG 4.43Å; L272-W341 HydrophobicContact CG-CD2 4.48Å; W313-W341 HydrophobicContact CH2-CH2 4.42Å; W313-W341 AromaticContact CZ2-CH2 3.92Å; W313-W341 HydrophobicContact CZ2-CH2 3.92Å; W313-W341 AromaticContact CZ2-CZ2 3.89Å; W313-W341 HydrophobicContact CZ2-CZ2 3.89Å; F319-W341 HydrophobicContact CE2-CH2 4.01Å; F319-W341 HydrophobicContact CE2-CZ3 4.11Å; F319-W341 HydrophobicContact CZ-CH2 4.32Å; C322-W341 HydrophobicContact CB-CH2 4.08Å; C322-W341 HydrophobicContact CB-CZ3 4.2Å; F336-W341 AromaticContact CD1-CZ2 3.84Å; F336-W341 HydrophobicContact CD1-CZ2 3.84Å; F336-W341 HydrophobicContact CE1-CZ2 4.43Å; F336-W341 PolarHBondContact O-NE1 3.01Å; F336-W341 VanDerWaalsContact O-NE1 3.08Å; R339-W341 HydrophobicContact CB-CZ2 4.19Å; R339-W341 VanDerWaalsContact O-CD1 3.24Å; R339-W341 PolarHBondContact O-NE1 2.91Å; W341-N367 PolarHBondContact N-O 3.12Å; W341-T368 HydrophobicContact CB-CG2 4.2Å; W341-T368 VanDerWaalsContact O-CA 3.29Å; W341-T368 WeakPolarHBondContact O-CA 3.31Å; W341-T369 PolarHBondContact O-N 3.12Å
342	H	92.3	Very high	90.1	Very high	53 Å²	53	41.9 Å²	41.9	25%	0.245	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-62.6	175	-168.8	-113.4	0	0	0	109.8	D267 P270 H271 T369 R370	D267-H342 IonicContact OD2-CE1 3.46Å; D267-H342 PolarHBondContact OD2-CE1 2.93Å; D267-H342 IonicContact OD2-CG 3.83Å; D267-H342 IonicContact OD2-ND1 2.65Å; D267-H342 PolarHBondContact OD2-ND1 3.3Å; D267-H342 IonicContact OD2-NE2 2.8Å; P270-H342 PolarHBondContact O-N 2.87Å; H271-H342 AromaticContact CE1-ND1 3.92Å; H342-T369 WeakPolarHBondContact CA-OG1 3.44Å; H342-T369 PolarHBondContact CD2-OG1 2.94Å; H342-T369 PolarHBondContact NE2-OG1 2.81Å; H342-T369 PolarHBondContact O-N 3.03Å; H342-T369 PolarHBondContact O-OG1 3.11Å; H342-R370 PolarHBondContact O-N 2.97Å
343	Y	94.3	Very high	89.5	Confident	10 Å²	10	43.5 Å²	43.5	4%	0.039	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	135.2	172.2	-88.8	-98.6	0	0	0	112	N234 L257 L261 H271 L272 R370	N234-Y343 WeakPolarHBondContact CB-OH 3.09Å; N234-Y343 PolarHBondContact OD1-OH 3.07Å; L257-Y343 HydrophobicContact CD2-CE1 4.09Å; L261-Y343 HydrophobicContact CD1-CD2 3.91Å; L261-Y343 HydrophobicContact CD1-CE2 3.28Å; H271-Y343 AromaticContact ND1-CD2 3.9Å; L272-Y343 PolarHBondContact N-O 3.1Å; Y343-R370 HydrophobicContact CD1-CB 3.79Å; Y343-R370 HydrophobicContact CD2-CB 4.07Å; Y343-R370 HydrophobicContact CD2-CG 4.41Å; Y343-R370 HydrophobicContact CE1-CB 3.64Å; Y343-R370 HydrophobicContact CE1-CG 4.29Å; Y343-R370 HydrophobicContact CE2-CB 3.9Å; Y343-R370 HydrophobicContact CE2-CG 3.89Å; Y343-R370 HydrophobicContact CG-CB 4.02Å
344	M	95.1	Very high	89	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	115.4	161.7	179.4	175.4	63.2	0	0	109.3	L272 L346 L363 F366 T368 R370 R371 L372 F392	L272-M344 WeakPolarHBondContact O-CA 3.46Å; M344-L346 HydrophobicContact CG-CD2 4.13Å; M344-L346 HydrophobicContact SD-CD2 4.43Å; M344-L363 HydrophobicContact SD-CD2 4.46Å; M344-F366 HydrophobicContact SD-CD2 4.09Å; M344-T368 HydrophobicContact CB-CG2 3.61Å; M344-T368 HydrophobicContact CE-CG2 4.02Å; M344-T368 HydrophobicContact CG-CG2 4.36Å; M344-T368 HydrophobicContact SD-CG2 3.97Å; M344-R370 PolarHBondContact N-O 2.86Å; M344-R371 HydrophobicContact CE-CG 3.79Å; M344-R371 WeakPolarHBondContact O-CA 3.25Å; M344-L372 PolarHBondContact O-N 2.71Å; M344-F392 HydrophobicContact CE-CE1 3.75Å; M344-F392 HydrophobicContact CE-CE2 4.48Å; M344-F392 HydrophobicContact CE-CZ 3.39Å; M344-F392 HydrophobicContact SD-CZ 4.48Å
345	I	96	Very high	88.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	123.8	179.8	-61.6	154.8	0	0	0	108	T254 L258 L272 V273 I274 L372 L374	T254-I345 HydrophobicContact CG2-CD1 3.5Å; T254-I345 VanDerWaalsContact CG2-CD1 3.5Å; T254-I345 HydrophobicContact CG2-CG1 4.14Å; T254-I345 HydrophobicContact CG2-CG2 3.99Å; L258-I345 HydrophobicContact CD1-CD1 4.08Å; L258-I345 HydrophobicContact CD2-CD1 4.3Å; L258-I345 HydrophobicContact CG-CD1 4.43Å; L272-I345 PolarHBondContact O-N 2.99Å; V273-I345 HydrophobicContact CG1-CB 4.38Å; V273-I345 HydrophobicContact CG1-CG2 4.32Å; V273-I345 HydrophobicContact CG2-CB 4.41Å; V273-I345 HydrophobicContact CG2-CD1 4.04Å; I274-I345 PolarHBondContact N-O 2.65Å; I345-L372 WeakPolarHBondContact CA-O 3.34Å; I345-L372 HydrophobicContact CG1-CB 4.19Å; I345-L372 HydrophobicContact CG1-CD2 4.34Å; I345-L374 HydrophobicContact CG2-CD1 3.87Å; I345-L374 HydrophobicContact CG2-CG 4.18Å
346	L	94.6	Very high	88.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.8	174.5	-56.7	-170.1	0	0	0	109.6	I274 Y326 M344 I352 L363 L372 L373 L374 F392	I274-L346 HydrophobicContact CB-CD2 3.63Å; I274-L346 HydrophobicContact CD1-CD2 3.63Å; I274-L346 HydrophobicContact CG1-CD2 3.94Å; I274-L346 HydrophobicContact CG2-CD2 4.29Å; Y326-L346 HydrophobicContact CE1-CD2 4.41Å; M344-L346 HydrophobicContact CG-CD2 4.13Å; M344-L346 HydrophobicContact SD-CD2 4.43Å; L346-I352 HydrophobicContact CD1-CD1 3.62Å; L346-I352 HydrophobicContact CD1-CG1 4.47Å; L346-L363 HydrophobicContact CD1-CD1 4.11Å; L346-L363 HydrophobicContact CD2-CD1 4.39Å; L346-L372 PolarHBondContact N-O 3.33Å; L346-L373 HydrophobicContact CB-CD2 3.7Å; L346-L373 HydrophobicContact CD1-CD2 3.58Å; L346-L373 HydrophobicContact CG-CD2 3.79Å; L346-L374 PolarHBondContact O-N 3.38Å; L346-F392 HydrophobicContact CD1-CD1 4.42Å; L346-F392 HydrophobicContact CD1-CE1 3.54Å; L346-F392 HydrophobicContact CD1-CZ 3.64Å; L346-F392 HydrophobicContact CG-CE1 4.42Å
347	D	92.5	Very high	87.8	Confident	8 Å²	8	49 Å²	49	4%	0.043	21%	0.212	C	C	.	.	S	Bend	trans	-92.8	144.6	173.5	-167.6	23.5	0	0	0	111.5	I274 V275 W283 Y326 L374	I274-D347 PolarHBondContact O-N 3.38Å; V275-D347 HydrophobicContact CB-CB 4.35Å; V275-D347 HydrophobicContact CG1-CB 3.89Å; W283-D347 HydrophobicContact CZ2-CB 3.92Å; W283-D347 PolarHBondContact NE1-OD2 3.43Å; Y326-D347 WeakPolarHBondContact CE2-O 3.48Å; Y326-D347 PolarHBondContact OH-O 3.06Å; D347-L374 HydrophobicContact CB-CD1 4.48Å
348	E	87.2	Confident	87.6	Confident	15 Å²	15	48.4 Å²	48.4	7%	0.07	22%	0.217	C	C	.	.	S	Bend	trans	49.3	60	-171.8	-58.1	-68.7	-175.5	0	0	111.3	M246 P276 Q350 N351 L374 R742	M246-E348 WeakPolarHBondContact CE-OE1 3.43Å; P276-E348 HydrophobicContact CG-CB 3.82Å; P276-E348 HydrophobicContact CG-CG 3.85Å; E348-Q350 PolarHBondContact O-N 3.26Å; E348-Q350 PolarHBondContact O-OE1 3.24Å; E348-Q350 PolarHBondContact OE2-NE2 3.05Å; E348-Q350 PolarHBondContact OE2-OE1 3.49Å; E348-N351 WeakPolarHBondContact O-CB 3.22Å; E348-N351 PolarHBondContact O-N 2.87Å; E348-N351 PolarHBondContact O-ND2 2.85Å; E348-L374 PolarHBondContact N-O 3.49Å; E348-L374 VanDerWaalsContact N-O 3.12Å; E348-R742 IonicContact OE1-NH2 3.6Å
349	A	86.9	Confident	87.7	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-59.5	-11.4	-175.7	0	0	0	0	0	114.3	N351 I352 L373 L374 L389	A349-N351 PolarHBondContact O-N 3.43Å; A349-I352 HydrophobicContact CB-CG1 4.44Å; A349-I352 WeakPolarHBondContact O-CG1 3.41Å; A349-I352 PolarHBondContact O-N 3.45Å; A349-L373 HydrophobicContact CB-CB 4.19Å; A349-L373 HydrophobicContact CB-CD2 4.44Å; A349-L374 PolarHBondContact N-O 3.45Å; A349-L389 HydrophobicContact CB-CD2 4.12Å
350	Q	82.4	Confident	87.8	Confident	23 Å²	23	42.7 Å²	42.7	11%	0.107	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-56	-21.7	167.5	66.9	-89.5	32	0	0	112.8	E348 I352 K353 Q380	E348-Q350 PolarHBondContact O-N 3.26Å; E348-Q350 PolarHBondContact O-OE1 3.24Å; E348-Q350 PolarHBondContact OE2-NE2 3.05Å; E348-Q350 PolarHBondContact OE2-OE1 3.49Å; Q350-I352 PolarHBondContact O-N 2.75Å; Q350-K353 WeakPolarHBondContact O-CB 3.46Å; Q350-K353 VanDerWaalsContact O-CD 3.3Å; Q350-K353 WeakPolarHBondContact O-CD 3.38Å; Q350-K353 VanDerWaalsContact O-CG 3.3Å; Q350-K353 WeakPolarHBondContact O-CG 3.27Å; Q350-K353 PolarHBondContact O-N 3.42Å; Q350-Q380 VanDerWaalsContact CB-NE2 3.31Å
351	N	82.6	Confident	87.6	Confident	58 Å²	58	40.3 Å²	40.3	31%	0.31	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-64.5	-17.3	174.5	-75.3	-61.4	0	0	0	114.3	Y326 E348 A349 R359	Y326-N351 HydrophobicContact CD2-CB 4.24Å; Y326-N351 HydrophobicContact CE1-CB 4.29Å; Y326-N351 HydrophobicContact CE2-CB 4Å; Y326-N351 HydrophobicContact CG-CB 4.48Å; E348-N351 WeakPolarHBondContact O-CB 3.22Å; E348-N351 PolarHBondContact O-N 2.87Å; E348-N351 PolarHBondContact O-ND2 2.85Å; A349-N351 PolarHBondContact O-N 3.43Å; N351-R359 PolarHBondContact O-NH1 3.36Å
352	I	83.9	Confident	87.4	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-110.5	14.5	179.2	61.2	156.3	0	0	0	113.2	Y326 L346 A349 Q350 N354 W360 L363 L373 L389 F392	Y326-I352 HydrophobicContact CD1-CG2 4.35Å; Y326-I352 HydrophobicContact CE1-CG2 3.86Å; L346-I352 HydrophobicContact CD1-CD1 3.62Å; L346-I352 HydrophobicContact CD1-CG1 4.47Å; A349-I352 HydrophobicContact CB-CG1 4.44Å; A349-I352 WeakPolarHBondContact O-CG1 3.41Å; A349-I352 PolarHBondContact O-N 3.45Å; Q350-I352 PolarHBondContact O-N 2.75Å; I352-N354 PolarHBondContact O-N 3.07Å; I352-W360 VanDerWaalsContact O-CD1 3.29Å; I352-L363 HydrophobicContact CG2-CD1 3.68Å; I352-L373 HydrophobicContact CD1-CD2 4.32Å; I352-L389 HydrophobicContact CD1-CD2 3.91Å; I352-L389 HydrophobicContact CG1-CD2 3.92Å; I352-F392 HydrophobicContact CD1-CD1 4.16Å; I352-F392 HydrophobicContact CD1-CD2 4.42Å; I352-F392 HydrophobicContact CD1-CE1 4.4Å; I352-F392 HydrophobicContact CD1-CG 4.16Å
353	K	78.5	Confident	87.4	Confident	53 Å²	53	38.3 Å²	38.3	23%	0.23	18%	0.18	C	C	.	.			trans	-57.9	-22.9	-175.4	71.7	-167.6	-152.9	145.6	0	116.2	Q350 N381 E385 S388	Q350-K353 WeakPolarHBondContact O-CB 3.46Å; Q350-K353 VanDerWaalsContact O-CD 3.3Å; Q350-K353 WeakPolarHBondContact O-CD 3.38Å; Q350-K353 VanDerWaalsContact O-CG 3.3Å; Q350-K353 WeakPolarHBondContact O-CG 3.27Å; Q350-K353 PolarHBondContact O-N 3.42Å; K353-N381 PolarHBondContact NZ-ND2 3.31Å; K353-N381 VanDerWaalsContact NZ-ND2 3.16Å; K353-E385 HydrophobicContact CB-CB 4.11Å; K353-E385 HydrophobicContact CB-CG 3.9Å; K353-E385 WeakPolarHBondContact CD-OE1 3.33Å; K353-E385 WeakPolarHBondContact CE-OE1 3.33Å; K353-E385 HydrophobicContact CG-CG 4.42Å; K353-E385 IonicContact NZ-OE1 3.47Å; K353-E385 PolarHBondContact NZ-OE1 3.41Å; K353-S388 PolarHBondContact O-OG 3.48Å
354	N	80.9	Confident	87.1	Confident	50 Å²	50	39.6 Å²	39.6	27%	0.267	19%	0.187	S	C	.	.			trans	-101.3	109.2	-179.7	-172	-11.2	0	0	0	110.4	I352 K356 S357	I352-N354 PolarHBondContact O-N 3.07Å; N354-K356 PolarHBondContact O-N 3.06Å; N354-K356 WeakPolarHBondContact OD1-CB 3.11Å; N354-K356 PolarHBondContact OD1-N 3.02Å; N354-S357 WeakPolarHBondContact O-CB 3.41Å; N354-S357 PolarHBondContact O-N 3.26Å; N354-S357 PolarHBondContact O-OG 3.34Å
355	F	80.4	Confident	86.8	Confident	56 Å²	56	44.3 Å²	44.3	25%	0.246	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-25.1	177.8	70.4	-90.4	0	0	0	113.4	S357 W360 W387	F355-S357 PolarHBondContact O-N 2.91Å; F355-W360 HydrophobicContact CB-CD2 4.23Å; F355-W360 HydrophobicContact CB-CE3 4.44Å; F355-W360 HydrophobicContact CB-CH2 4.37Å; F355-W360 HydrophobicContact CB-CZ2 4.16Å; F355-W360 VanDerWaalsContact O-CE3 3.25Å; F355-W387 HydrophobicContact CB-CZ3 3.94Å; F355-W387 HydrophobicContact CD1-CE3 4.34Å; F355-W387 AromaticContact CD1-CZ3 3.97Å; F355-W387 HydrophobicContact CD1-CZ3 3.97Å; F355-W387 HydrophobicContact CD2-CZ3 4.2Å; F355-W387 AromaticContact CG-CZ3 3.78Å; F355-W387 HydrophobicContact CG-CZ3 3.78Å
356	K	82.5	Confident	86.5	Confident	132 Å²	132	44.6 Å²	44.6	57%	0.574	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-9.5	175	-58.6	-179.8	-178.1	171.4	0	112.5	N354	N354-K356 PolarHBondContact O-N 3.06Å; N354-K356 WeakPolarHBondContact OD1-CB 3.11Å; N354-K356 PolarHBondContact OD1-N 3.02Å
357	S	83.3	Confident	86.2	Confident	24 Å²	24	48.5 Å²	48.5	17%	0.168	24%	0.235	C	C	.	.	S	Bend	trans	-73.6	140.8	-175.5	73.2	0	0	0	0	112.2	N354 F355 R359 W360 Q361	N354-S357 WeakPolarHBondContact O-CB 3.41Å; N354-S357 PolarHBondContact O-N 3.26Å; N354-S357 PolarHBondContact O-OG 3.34Å; F355-S357 PolarHBondContact O-N 2.91Å; S357-R359 PolarHBondContact O-N 3.12Å; S357-W360 PolarHBondContact O-N 3.36Å; S357-W360 VanDerWaalsContact O-N 3.13Å; S357-W360 VanDerWaalsContact OG-CB 3.25Å; S357-W360 WeakPolarHBondContact OG-CB 3.36Å; S357-W360 PolarHBondContact OG-N 2.93Å; S357-W360 VanDerWaalsContact OG-N 3.15Å; S357-Q361 PolarHBondContact O-N 3.33Å; S357-Q361 VanDerWaalsContact O-N 3.08Å
358	M	86.1	Confident	86.2	Confident	136 Å²	136	49.1 Å²	49.1	67%	0.67	24%	0.239	S	C	*	.	H	α-helix	trans	-57.1	-34.4	172.7	-175.8	-171.6	-71.2	0	0	111.7	V330 Q361 A362	V330-M358 HydrophobicContact CG1-CG 4.32Å; V330-M358 HydrophobicContact CG1-SD 3.77Å; M358-Q361 PolarHBondContact O-N 2.8Å; M358-A362 VanDerWaalsContact O-CB 3.25Å; M358-A362 WeakPolarHBondContact O-CB 3.38Å; M358-A362 PolarHBondContact O-N 3.28Å
359	R	89.2	Confident	86.3	Confident	101 Å²	101	51.9 Å²	51.9	38%	0.381	26%	0.257	S	S	.	.	H	α-helix	trans	-57.3	-52.2	174.4	-80.6	-177	-82.4	158.3	-7.9	111.6	V330 N351 S357 A362 L363	V330-R359 HydrophobicContact CG2-CB 4.28Å; V330-R359 HydrophobicContact CG2-CG 3.52Å; N351-R359 PolarHBondContact O-NH1 3.36Å; S357-R359 PolarHBondContact O-N 3.12Å; R359-A362 PolarHBondContact O-N 2.67Å; R359-L363 VanDerWaalsContact O-CG 3.28Å; R359-L363 WeakPolarHBondContact O-CG 3.15Å; R359-L363 PolarHBondContact O-N 2.79Å; R359-L363 VanDerWaalsContact O-N 3.09Å
360	W	90.1	Very high	86.6	Confident	18 Å²	18	54.9 Å²	54.9	7%	0.068	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-45.6	179.9	-175.9	99.3	0	0	0	111.4	I352 F355 S357 A362 L363 L364 S388 H391	I352-W360 VanDerWaalsContact O-CD1 3.29Å; F355-W360 HydrophobicContact CB-CD2 4.23Å; F355-W360 HydrophobicContact CB-CE3 4.44Å; F355-W360 HydrophobicContact CB-CH2 4.37Å; F355-W360 HydrophobicContact CB-CZ2 4.16Å; F355-W360 VanDerWaalsContact O-CE3 3.25Å; S357-W360 PolarHBondContact O-N 3.36Å; S357-W360 VanDerWaalsContact O-N 3.13Å; S357-W360 VanDerWaalsContact OG-CB 3.25Å; S357-W360 WeakPolarHBondContact OG-CB 3.36Å; S357-W360 PolarHBondContact OG-N 2.93Å; S357-W360 VanDerWaalsContact OG-N 3.15Å; W360-A362 PolarHBondContact O-N 3.16Å; W360-L363 PolarHBondContact O-N 3.38Å; W360-L364 HydrophobicContact CH2-CD2 3.92Å; W360-L364 HydrophobicContact CZ3-CD2 3.85Å; W360-L364 PolarHBondContact O-N 2.9Å; W360-S388 PolarHBondContact NE1-O 2.86Å; W360-S388 VanDerWaalsContact NE1-O 3.14Å; W360-H391 AromaticContact CH2-CE1 3.52Å; W360-H391 AromaticContact CH2-ND1 3.17Å; W360-H391 WeakPolarHBondContact CH2-ND1 3.37Å; W360-H391 HydrophobicContact CZ2-CB 4.45Å; W360-H391 AromaticContact CZ2-CE1 3.96Å; W360-H391 AromaticContact CZ2-ND1 3.14Å; W360-H391 WeakPolarHBondContact CZ2-ND1 3.27Å
361	Q	88.2	Confident	87.1	Confident	104 Å²	104	55 Å²	55	49%	0.486	27%	0.267	S	S	.	.	H	α-helix	trans	-62.3	-40.8	178.4	-68.5	178	-18.2	0	0	112.6	S357 M358 N365	S357-Q361 PolarHBondContact O-N 3.33Å; S357-Q361 VanDerWaalsContact O-N 3.08Å; M358-Q361 PolarHBondContact O-N 2.8Å; Q361-N365 PolarHBondContact O-ND2 3.09Å
362	A	88.4	Confident	87.7	Confident	11 Å²	11	52.4 Å²	52.4	9%	0.091	25%	0.254	C	S	.	.	H	α-helix	trans	-63.1	-48	176.6	0	0	0	0	0	111.2	Y333 M358 R359 W360 L364 N365	Y333-A362 HydrophobicContact CD2-CB 3.79Å; Y333-A362 HydrophobicContact CE2-CB 3.97Å; Y333-A362 WeakPolarHBondContact CE2-O 3.36Å; M358-A362 VanDerWaalsContact O-CB 3.25Å; M358-A362 WeakPolarHBondContact O-CB 3.38Å; M358-A362 PolarHBondContact O-N 3.28Å; R359-A362 PolarHBondContact O-N 2.67Å; W360-A362 PolarHBondContact O-N 3.16Å; A362-L364 VanDerWaalsContact C-N 3.34Å; A362-L364 PolarHBondContact O-N 2.91Å; A362-N365 PolarHBondContact O-N 3.24Å
363	L	91.3	Very high	88.1	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-66	-34	-177.9	-69.2	172.7	0	0	0	113.2	I274 Y326 V329 M344 L346 I352 R359 W360 N365 F366 F392	I274-L363 HydrophobicContact CD1-CD2 3.42Å; I274-L363 VanDerWaalsContact CD1-CD2 3.42Å; Y326-L363 HydrophobicContact CD1-CD1 4.35Å; Y326-L363 HydrophobicContact CE1-CD1 4.3Å; V329-L363 HydrophobicContact CG1-CD2 3.76Å; M344-L363 HydrophobicContact SD-CD2 4.46Å; L346-L363 HydrophobicContact CD1-CD1 4.11Å; L346-L363 HydrophobicContact CD2-CD1 4.39Å; I352-L363 HydrophobicContact CG2-CD1 3.68Å; R359-L363 VanDerWaalsContact O-CG 3.28Å; R359-L363 WeakPolarHBondContact O-CG 3.15Å; R359-L363 PolarHBondContact O-N 2.79Å; R359-L363 VanDerWaalsContact O-N 3.09Å; W360-L363 PolarHBondContact O-N 3.38Å; L363-N365 PolarHBondContact O-N 3.03Å; L363-F366 HydrophobicContact CD2-CD2 4.08Å; L363-F366 HydrophobicContact CD2-CE2 3.79Å; L363-F366 PolarHBondContact O-N 2.93Å; L363-F392 HydrophobicContact CB-CE2 3.61Å; L363-F392 HydrophobicContact CB-CZ 3.88Å
364	L	88.7	Confident	88.8	Confident	37 Å²	37	50 Å²	50	19%	0.194	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-36.8	179.5	-173.8	69.7	0	0	0	112.1	W360 A362 F366 R371 F392 P395	W360-L364 HydrophobicContact CH2-CD2 3.92Å; W360-L364 HydrophobicContact CZ3-CD2 3.85Å; W360-L364 PolarHBondContact O-N 2.9Å; A362-L364 VanDerWaalsContact C-N 3.34Å; A362-L364 PolarHBondContact O-N 2.91Å; L364-F366 VanDerWaalsContact C-N 3.29Å; L364-F366 PolarHBondContact O-N 2.96Å; L364-R371 PolarHBondContact O-NH2 2.76Å; L364-F392 HydrophobicContact CD1-CD2 4.3Å; L364-P395 HydrophobicContact CD1-CB 4.44Å
365	N	88.1	Confident	89.2	Confident	100 Å²	100	47.7 Å²	47.7	54%	0.535	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	5.8	-174.7	-71.7	-27.6	0	0	0	114.3	Y333 Q361 A362 L363	Y333-N365 WeakPolarHBondContact OH-CB 3.17Å; Q361-N365 PolarHBondContact O-ND2 3.09Å; A362-N365 PolarHBondContact O-N 3.24Å; L363-N365 PolarHBondContact O-N 3.03Å
366	F	90	Very high	89.2	Confident	6 Å²	6	45.3 Å²	45.3	3%	0.026	22%	0.223	C	C	.	.	S	Bend	trans	-77.5	141.2	174	-73.9	-18.8	0	0	0	112.2	L272 V329 Y333 F336 R337 M344 L363 L364 T368	L272-F366 HydrophobicContact CD2-CD2 4.47Å; L272-F366 HydrophobicContact CD2-CE2 4.42Å; V329-F366 HydrophobicContact CG1-CE2 3.43Å; V329-F366 VanDerWaalsContact CG1-CE2 3.43Å; V329-F366 HydrophobicContact CG1-CZ 3.51Å; Y333-F366 HydrophobicContact CD2-CD1 4.29Å; Y333-F366 AromaticContact CD2-CE1 3.36Å; Y333-F366 HydrophobicContact CD2-CE1 3.36Å; Y333-F366 AromaticContact CD2-CZ 3.83Å; Y333-F366 HydrophobicContact CD2-CZ 3.83Å; Y333-F366 AromaticContact CE2-CD1 3.79Å; Y333-F366 HydrophobicContact CE2-CD1 3.79Å; Y333-F366 AromaticContact CE2-CE1 3.31Å; Y333-F366 HydrophobicContact CE2-CE1 3.31Å; Y333-F366 HydrophobicContact CE2-CZ 4.14Å; Y333-F366 HydrophobicContact CG-CE1 4.47Å; F336-F366 HydrophobicContact CB-CE1 4.04Å; F336-F366 HydrophobicContact CB-CE2 4.37Å; F336-F366 HydrophobicContact CB-CZ 3.7Å; R337-F366 HydrophobicContact CB-CD1 4.25Å; R337-F366 HydrophobicContact CB-CE1 4.16Å; M344-F366 HydrophobicContact SD-CD2 4.09Å; L363-F366 HydrophobicContact CD2-CD2 4.08Å; L363-F366 HydrophobicContact CD2-CE2 3.79Å; L363-F366 PolarHBondContact O-N 2.93Å; L364-F366 VanDerWaalsContact C-N 3.29Å; L364-F366 PolarHBondContact O-N 2.96Å; F366-T368 HydrophobicContact CB-CG2 4.03Å; F366-T368 PolarHBondContact O-N 3.47Å; F366-T368 VanDerWaalsContact O-N 3.14Å
367	N	89.8	Confident	89	Confident	83 Å²	83	40.2 Å²	40.2	44%	0.444	20%	0.203	S	C	.	.			trans	-79.6	97	176.4	-167	-15.6	0	0	0	109.3	W341	W341-N367 PolarHBondContact N-O 3.12Å
368	T	91.4	Very high	88.5	Confident	20 Å²	20	39.4 Å²	39.4	12%	0.123	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	133.6	-174.8	58.7	0	0	0	0	110	W341 M344 F366 R371	W341-T368 HydrophobicContact CB-CG2 4.2Å; W341-T368 VanDerWaalsContact O-CA 3.29Å; W341-T368 WeakPolarHBondContact O-CA 3.31Å; M344-T368 HydrophobicContact CB-CG2 3.61Å; M344-T368 HydrophobicContact CE-CG2 4.02Å; M344-T368 HydrophobicContact CG-CG2 4.36Å; M344-T368 HydrophobicContact SD-CG2 3.97Å; F366-T368 HydrophobicContact CB-CG2 4.03Å; F366-T368 PolarHBondContact O-N 3.47Å; F366-T368 VanDerWaalsContact O-N 3.14Å; T368-R371 PolarHBondContact OG1-NE 2.71Å; T368-R371 PolarHBondContact OG1-NH2 2.7Å
369	T	90.2	Very high	88	Confident	73 Å²	73	33.6 Å²	33.6	45%	0.448	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-40	174.3	60.7	0	0	0	0	112.1	W341 H342	W341-T369 PolarHBondContact O-N 3.12Å; H342-T369 WeakPolarHBondContact CA-OG1 3.44Å; H342-T369 PolarHBondContact CD2-OG1 2.94Å; H342-T369 PolarHBondContact NE2-OG1 2.81Å; H342-T369 PolarHBondContact O-N 3.03Å; H342-T369 PolarHBondContact O-OG1 3.11Å
370	R	91.7	Very high	87	Confident	64 Å²	64	29.6 Å²	29.6	24%	0.242	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.2	-179.3	-60.5	-63.5	-178.3	-137.8	-5.6	111.8	N234 G237 H342 Y343 M344	N234-R370 PolarHBondContact OD1-NE 2.88Å; G237-R370 PolarHBondContact O-NH1 3.19Å; H342-R370 PolarHBondContact O-N 2.97Å; Y343-R370 HydrophobicContact CD1-CB 3.79Å; Y343-R370 HydrophobicContact CD2-CB 4.07Å; Y343-R370 HydrophobicContact CD2-CG 4.41Å; Y343-R370 HydrophobicContact CE1-CB 3.64Å; Y343-R370 HydrophobicContact CE1-CG 4.29Å; Y343-R370 HydrophobicContact CE2-CB 3.9Å; Y343-R370 HydrophobicContact CE2-CG 3.89Å; Y343-R370 HydrophobicContact CG-CB 4.02Å; M344-R370 PolarHBondContact N-O 2.86Å
371	R	93.6	Very high	85.9	Confident	24 Å²	24	30.6 Å²	30.6	9%	0.091	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.4	177.5	-60.3	-176.8	178.8	171.3	-2	109.9	N239 M344 L364 T368 F392 L393	N239-R371 HydrophobicContact CB-CB 4.41Å; N239-R371 VanDerWaalsContact CB-O 3.31Å; N239-R371 WeakPolarHBondContact CB-O 3.5Å; N239-R371 PolarHBondContact OD1-N 2.94Å; N239-R371 PolarHBondContact OD1-O 3.38Å; M344-R371 HydrophobicContact CE-CG 3.79Å; M344-R371 WeakPolarHBondContact O-CA 3.25Å; L364-R371 PolarHBondContact O-NH2 2.76Å; T368-R371 PolarHBondContact OG1-NE 2.71Å; T368-R371 PolarHBondContact OG1-NH2 2.7Å; R371-F392 PolarHBondContact NH1-O 3.46Å; R371-L393 HydrophobicContact CB-CD2 4.42Å
372	L	94.3	Very high	85.1	Confident	5 Å²	5	26.9 Å²	26.9	3%	0.026	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	126.4	174.8	179.1	63.1	0	0	0	109.1	L230 T254 L257 M344 I345 L346 L374	L230-L372 HydrophobicContact CD2-CD1 3.6Å; L230-L372 HydrophobicContact CD2-CD2 4.36Å; T254-L372 HydrophobicContact CG2-CD2 4.14Å; L257-L372 HydrophobicContact CD2-CD2 4.18Å; M344-L372 PolarHBondContact O-N 2.71Å; I345-L372 WeakPolarHBondContact CA-O 3.34Å; I345-L372 HydrophobicContact CG1-CB 4.19Å; I345-L372 HydrophobicContact CG1-CD2 4.34Å; L346-L372 PolarHBondContact N-O 3.33Å; L372-L374 HydrophobicContact CD1-CD2 4.45Å; L372-L374 HydrophobicContact CD2-CD2 4.03Å; L372-L374 HydrophobicContact CG-CD2 3.98Å
373	L	94.1	Very high	84.5	Confident	2 Å²	2	26.6 Å²	26.6	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	128.5	176	-58.6	-176.3	0	0	0	109.7	G240 I241 L242 L346 A349 I352 L389 F392 L393	G240-L373 PolarHBondContact O-N 3.42Å; G240-L373 VanDerWaalsContact O-N 3.16Å; I241-L373 CarbonylContact C-O 3.53Å; I241-L373 WeakPolarHBondContact CA-O 3.47Å; I241-L373 HydrophobicContact CD1-CD1 4.45Å; I241-L373 HydrophobicContact CG1-CB 4.19Å; I241-L373 HydrophobicContact CG1-CD1 4.28Å; I241-L373 HydrophobicContact CG2-CB 4.38Å; L242-L373 PolarHBondContact N-O 3.4Å; L346-L373 HydrophobicContact CB-CD2 3.7Å; L346-L373 HydrophobicContact CD1-CD2 3.58Å; L346-L373 HydrophobicContact CG-CD2 3.79Å; A349-L373 HydrophobicContact CB-CB 4.19Å; A349-L373 HydrophobicContact CB-CD2 4.44Å; I352-L373 HydrophobicContact CD1-CD2 4.32Å; L373-L389 HydrophobicContact CD1-CB 4.23Å; L373-L389 HydrophobicContact CD1-CD2 4.01Å; L373-F392 HydrophobicContact CD1-CD1 4.19Å; L373-F392 HydrophobicContact CD2-CD1 3.9Å; L373-F392 HydrophobicContact CD2-CE1 3.87Å; L373-F392 HydrophobicContact CG-CD1 4.5Å; L373-L393 HydrophobicContact CD1-CD1 3.92Å; L373-L393 HydrophobicContact CD1-CD2 4.03Å; L373-L393 HydrophobicContact CD1-CG 3.78Å; L373-L393 HydrophobicContact CG-CD2 3.92Å; L373-L393 HydrophobicContact CG-CG 4.25Å
374	L	93.2	Very high	83.8	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125.9	173.4	-46.6	176.5	0	0	0	108.2	L242 K250 T254 W283 I345 L346 D347 E348 A349 L372	L242-L374 HydrophobicContact CB-CD2 3.77Å; L242-L374 HydrophobicContact CD2-CD2 4.01Å; L242-L374 HydrophobicContact CG-CD2 4.49Å; K250-L374 HydrophobicContact CD-CB 4.42Å; T254-L374 WeakPolarHBondContact OG1-CD1 3.38Å; W283-L374 HydrophobicContact CH2-CD1 3.8Å; W283-L374 HydrophobicContact CZ2-CD1 3.93Å; I345-L374 HydrophobicContact CG2-CD1 3.87Å; I345-L374 HydrophobicContact CG2-CG 4.18Å; L346-L374 PolarHBondContact O-N 3.38Å; D347-L374 HydrophobicContact CB-CD1 4.48Å; E348-L374 PolarHBondContact N-O 3.49Å; E348-L374 VanDerWaalsContact N-O 3.12Å; A349-L374 PolarHBondContact N-O 3.45Å; L372-L374 HydrophobicContact CD1-CD2 4.45Å; L372-L374 HydrophobicContact CD2-CD2 4.03Å; L372-L374 HydrophobicContact CG-CD2 3.98Å
375	T	88.1	Confident	83.4	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.006	14%	0.143	C	C	.	.			trans	-142.9	146.5	174.2	-177.5	0	0	0	0	110.2	I241 L242 A243 K250 T377 P378	I241-T375 HydrophobicContact CG2-CG2 3.8Å; L242-T375 PolarHBondContact O-N 3.2Å; L242-T375 VanDerWaalsContact O-O 3.13Å; A243-T375 CarbonylContact C-O 3.55Å; A243-T375 VanDerWaalsContact CA-O 3.31Å; A243-T375 WeakPolarHBondContact CA-O 3.4Å; A243-T375 HydrophobicContact CB-CG2 4.19Å; K250-T375 WeakPolarHBondContact CE-O 3.38Å; T375-T377 VanDerWaalsContact OG1-C 3.31Å; T375-T377 PolarHBondContact OG1-N 2.67Å; T375-T377 VanDerWaalsContact OG1-N 3.08Å; T375-T377 PolarHBondContact OG1-O 2.85Å; T375-P378 HydrophobicContact CG2-CB 4.32Å; T375-P378 HydrophobicContact CG2-CG 4.2Å
376	G	80.2	Confident	83	Confident	7 Å²	7	22.2 Å²	22.2	7%	0.072	12%	0.119	C	C	.	.	S	Bend	trans	-89.9	-20.9	165.8	0	0	0	0	0	113.2
377	T	78.7	Confident	82.7	Confident	25 Å²	25	22.4 Å²	22.4	15%	0.153	12%	0.119	C	C	.	.			trans	-138.1	93.1	-173.3	48.5	0	0	0	0	108.6	T375 L379 T734	T375-T377 VanDerWaalsContact OG1-C 3.31Å; T375-T377 PolarHBondContact OG1-N 2.67Å; T375-T377 VanDerWaalsContact OG1-N 3.08Å; T375-T377 PolarHBondContact OG1-O 2.85Å; T377-L379 VanDerWaalsContact C-N 3.27Å; T377-L379 PolarHBondContact O-N 2.93Å; T377-T734 HydrophobicContact CG2-CG2 4.28Å
378	P	73.7	Confident	82.4	Confident	7 Å²	7	18.5 Å²	18.5	5%	0.045	10%	0.098	C	C	.	.	S	Bend	trans	-66.1	-30.1	-173.8	-18.2	29.8	0	0	0	113.4	A243 T375 I782	A243-P378 HydrophobicContact CB-CG 3.65Å; T375-P378 HydrophobicContact CG2-CB 4.32Å; T375-P378 HydrophobicContact CG2-CG 4.2Å; P378-I782 HydrophobicContact CB-CD1 3.77Å; P378-I782 HydrophobicContact CG-CD1 3.81Å
379	L	75.8	Confident	82.2	Confident	13 Å²	13	17.8 Å²	17.8	7%	0.068	9%	0.094	C	C	.	.			trans	-122.5	135	176.8	-73	170.4	0	0	0	108.8	T377 L383 L386 A781 I782	T377-L379 VanDerWaalsContact C-N 3.27Å; T377-L379 PolarHBondContact O-N 2.93Å; L379-L383 HydrophobicContact CD1-CD2 3.99Å; L379-L383 HydrophobicContact CD2-CD2 4.18Å; L379-L386 HydrophobicContact CD2-CB 3.77Å; L379-A781 HydrophobicContact CD1-CB 3.39Å; L379-I782 HydrophobicContact CB-CD1 3.85Å; L379-I782 HydrophobicContact CD1-CD1 3.63Å; L379-I782 HydrophobicContact CD1-CG1 3.66Å; L379-I782 HydrophobicContact CG-CD1 3.77Å; L379-I782 HydrophobicContact CG-CG1 4.28Å
380	Q	67	Low	81.8	Confident	17 Å²	17	14.5 Å²	14.5	8%	0.079	7%	0.073	C	C	.	.	S	Bend	trans	-117.9	-60	171.5	-55	-169.7	-30.5	0	0	111.3	Q350 E385 N732 T734	Q350-Q380 VanDerWaalsContact CB-NE2 3.31Å; Q380-E385 WeakPolarHBondContact CB-OE2 3.19Å; Q380-E385 PolarHBondContact N-OE2 2.87Å; Q380-N732 PolarHBondContact OE1-ND2 3.49Å; Q380-T734 HydrophobicContact CB-CG2 4.15Å; Q380-T734 HydrophobicContact CG-CG2 4.08Å; Q380-T734 PolarHBondContact NE2-OG1 3.27Å
381	N	66.7	Low	81.5	Confident	40 Å²	40	12.6 Å²	12.6	21%	0.214	7%	0.067	C	C	.	.	S	Bend	trans	-114.6	-41.5	-168.2	-65.1	-3.4	0	0	0	112.6	K353 E385	K353-N381 PolarHBondContact NZ-ND2 3.31Å; K353-N381 VanDerWaalsContact NZ-ND2 3.16Å; N381-E385 PolarHBondContact N-OE2 3.31Å
382	S	71.8	Confident	81.2	Confident	26 Å²	26	11.5 Å²	11.5	18%	0.182	6%	0.063	C	C	.	.			trans	-149	146.2	-169.6	176	0	0	0	0	110.7	M384 E385	S382-M384 PolarHBondContact O-N 3.42Å; S382-M384 VanDerWaalsContact O-N 3.14Å; S382-M384 PolarHBondContact OG-N 3.34Å; S382-E385 VanDerWaalsContact O-CB 3.27Å; S382-E385 WeakPolarHBondContact O-CB 3.45Å; S382-E385 WeakPolarHBondContact O-CG 3.31Å; S382-E385 PolarHBondContact O-N 3.41Å
383	L	75.2	Confident	80.8	Confident	4 Å²	4	11.3 Å²	11.3	2%	0.021	6%	0.062	C	C	.	.	H	α-helix	trans	-60.1	-20.2	171.7	-70.9	157.8	0	0	0	112.6	L379 E385 L386 W387 L412 L777 A781	L379-L383 HydrophobicContact CD1-CD2 3.99Å; L379-L383 HydrophobicContact CD2-CD2 4.18Å; L383-E385 PolarHBondContact O-N 3.26Å; L383-L386 WeakPolarHBondContact O-CB 3.3Å; L383-L386 PolarHBondContact O-N 3.34Å; L383-L386 VanDerWaalsContact O-N 3.1Å; L383-W387 PolarHBondContact O-N 2.82Å; L383-L412 HydrophobicContact CD1-CB 3.65Å; L383-L412 HydrophobicContact CD1-CD1 3.39Å; L383-L412 HydrophobicContact CD1-CG 4.11Å; L383-L412 HydrophobicContact CD2-CD1 4.31Å; L383-L412 HydrophobicContact CG-CD1 4.49Å; L383-L777 HydrophobicContact CD1-CD1 4.26Å; L383-L777 HydrophobicContact CG-CD1 4.49Å; L383-A781 HydrophobicContact CD2-CB 4.12Å
384	M	77.4	Confident	80.1	Confident	28 Å²	28	12.3 Å²	12.3	14%	0.138	7%	0.067	C	C	.	.	H	α-helix	trans	-63.3	-26	173	-63.8	-55.5	-63.8	0	0	112.7	S382 L386 W387 S388 R405	S382-M384 PolarHBondContact O-N 3.42Å; S382-M384 VanDerWaalsContact O-N 3.14Å; S382-M384 PolarHBondContact OG-N 3.34Å; M384-L386 VanDerWaalsContact C-N 3.31Å; M384-W387 PolarHBondContact O-N 3Å; M384-S388 PolarHBondContact O-N 3.16Å; M384-R405 HydrophobicContact CE-CB 4.45Å; M384-R405 HydrophobicContact SD-CB 4.07Å; M384-R405 HydrophobicContact SD-CG 4.04Å
385	E	80	Confident	79.4	Confident	17 Å²	17	14.4 Å²	14.4	8%	0.079	8%	0.08	C	C	.	.	H	α-helix	trans	-64.3	-39.9	173.8	-59.4	-178.7	154.6	0	0	110.3	K353 Q380 N381 S382 L383 S388 L389	K353-E385 HydrophobicContact CB-CB 4.11Å; K353-E385 HydrophobicContact CB-CG 3.9Å; K353-E385 WeakPolarHBondContact CD-OE1 3.33Å; K353-E385 WeakPolarHBondContact CE-OE1 3.33Å; K353-E385 HydrophobicContact CG-CG 4.42Å; K353-E385 IonicContact NZ-OE1 3.47Å; K353-E385 PolarHBondContact NZ-OE1 3.41Å; Q380-E385 WeakPolarHBondContact CB-OE2 3.19Å; Q380-E385 PolarHBondContact N-OE2 2.87Å; N381-E385 PolarHBondContact N-OE2 3.31Å; S382-E385 VanDerWaalsContact O-CB 3.27Å; S382-E385 WeakPolarHBondContact O-CB 3.45Å; S382-E385 WeakPolarHBondContact O-CG 3.31Å; S382-E385 PolarHBondContact O-N 3.41Å; L383-E385 PolarHBondContact O-N 3.26Å; E385-S388 WeakPolarHBondContact O-CB 3.43Å; E385-S388 PolarHBondContact O-N 2.85Å; E385-S388 PolarHBondContact O-OG 3.25Å; E385-L389 WeakPolarHBondContact O-CG 3.44Å; E385-L389 PolarHBondContact O-N 2.74Å; E385-L389 VanDerWaalsContact O-N 3.14Å
386	L	80	Confident	78.5	Confident	4 Å²	4	20.5 Å²	20.5	2%	0.021	11%	0.113	C	C	.	.	H	α-helix	trans	-65.3	-41.6	176.8	-175.8	63.9	0	0	0	112.1	L379 L383 M384 S388 L389 M390 L434	L379-L386 HydrophobicContact CD2-CB 3.77Å; L383-L386 WeakPolarHBondContact O-CB 3.3Å; L383-L386 PolarHBondContact O-N 3.34Å; L383-L386 VanDerWaalsContact O-N 3.1Å; M384-L386 VanDerWaalsContact C-N 3.31Å; L386-S388 VanDerWaalsContact C-N 3.29Å; L386-S388 PolarHBondContact O-N 3.31Å; L386-L389 PolarHBondContact O-N 2.95Å; L386-M390 WeakPolarHBondContact O-CG 3.19Å; L386-M390 PolarHBondContact O-N 3.24Å; L386-L434 HydrophobicContact CD1-CD2 4.1Å; L386-L434 HydrophobicContact CD2-CD1 3.55Å; L386-L434 HydrophobicContact CD2-CD2 3.85Å; L386-L434 HydrophobicContact CD2-CG 4.32Å; L386-L434 HydrophobicContact CG-CD2 4.09Å
387	W	83.3	Confident	78	Confident	11 Å²	11	22.5 Å²	22.5	4%	0.042	12%	0.124	C	C	.	.	H	α-helix	trans	-58.1	-43.7	172.1	176.9	84.3	0	0	0	111.5	F355 L383 M384 L389 M390 H391 H401 F404	F355-W387 HydrophobicContact CB-CZ3 3.94Å; F355-W387 HydrophobicContact CD1-CE3 4.34Å; F355-W387 AromaticContact CD1-CZ3 3.97Å; F355-W387 HydrophobicContact CD1-CZ3 3.97Å; F355-W387 HydrophobicContact CD2-CZ3 4.2Å; F355-W387 AromaticContact CG-CZ3 3.78Å; F355-W387 HydrophobicContact CG-CZ3 3.78Å; L383-W387 PolarHBondContact O-N 2.82Å; M384-W387 PolarHBondContact O-N 3Å; W387-L389 VanDerWaalsContact C-N 3.27Å; W387-L389 PolarHBondContact O-N 3.26Å; W387-M390 PolarHBondContact O-N 2.83Å; W387-H391 HydrophobicContact CH2-CB 4.44Å; W387-H391 HydrophobicContact CZ2-CB 4.18Å; W387-H391 WeakPolarHBondContact O-CB 3.38Å; W387-H391 PolarHBondContact O-N 2.79Å; W387-H401 HydrophobicContact CD2-CB 4.2Å; W387-H401 HydrophobicContact CE3-CB 4.29Å; W387-H401 HydrophobicContact CH2-CB 3.6Å; W387-H401 HydrophobicContact CZ2-CB 3.45Å; W387-H401 VanDerWaalsContact CZ2-CB 3.45Å; W387-H401 HydrophobicContact CZ3-CB 4.01Å; W387-F404 HydrophobicContact CB-CD1 3.64Å; W387-F404 HydrophobicContact CB-CE1 3.8Å; W387-F404 HydrophobicContact CB-CG 4.06Å; W387-F404 HydrophobicContact CB-CZ 4.34Å; W387-F404 AromaticContact CD1-CD2 3.96Å; W387-F404 AromaticContact CD1-CG 3.56Å; W387-F404 HydrophobicContact CG-CB 4.29Å; W387-F404 HydrophobicContact CG-CD1 4.1Å; W387-F404 HydrophobicContact CG-CG 4.09Å
388	S	84.1	Confident	77.4	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.5	-35.2	179.9	82.6	0	0	0	0	113.1	K353 W360 M384 E385 L386 F392	K353-S388 PolarHBondContact O-OG 3.48Å; W360-S388 PolarHBondContact NE1-O 2.86Å; W360-S388 VanDerWaalsContact NE1-O 3.14Å; M384-S388 PolarHBondContact O-N 3.16Å; E385-S388 WeakPolarHBondContact O-CB 3.43Å; E385-S388 PolarHBondContact O-N 2.85Å; E385-S388 PolarHBondContact O-OG 3.25Å; L386-S388 VanDerWaalsContact C-N 3.29Å; L386-S388 PolarHBondContact O-N 3.31Å; S388-F392 VanDerWaalsContact O-CB 3.31Å; S388-F392 WeakPolarHBondContact O-CB 3.31Å; S388-F392 PolarHBondContact O-N 3.04Å
389	L	86.1	Confident	77.1	Confident	6 Å²	6	27.8 Å²	27.8	3%	0.031	15%	0.146	C	C	.	.	H	α-helix	trans	-73.6	-42.7	176.4	-64.2	173.8	0	0	0	111.1	I241 A349 I352 L373 E385 L386 W387 F392 L393	I241-L389 HydrophobicContact CD1-CB 4.2Å; A349-L389 HydrophobicContact CB-CD2 4.12Å; I352-L389 HydrophobicContact CD1-CD2 3.91Å; I352-L389 HydrophobicContact CG1-CD2 3.92Å; L373-L389 HydrophobicContact CD1-CB 4.23Å; L373-L389 HydrophobicContact CD1-CD2 4.01Å; E385-L389 WeakPolarHBondContact O-CG 3.44Å; E385-L389 PolarHBondContact O-N 2.74Å; E385-L389 VanDerWaalsContact O-N 3.14Å; L386-L389 PolarHBondContact O-N 2.95Å; W387-L389 VanDerWaalsContact C-N 3.27Å; W387-L389 PolarHBondContact O-N 3.26Å; L389-F392 WeakPolarHBondContact O-CB 3.31Å; L389-F392 PolarHBondContact O-N 3.39Å; L389-L393 WeakPolarHBondContact O-CD1 3.26Å; L389-L393 WeakPolarHBondContact O-CG 3.22Å; L389-L393 PolarHBondContact O-N 2.82Å; L389-L393 VanDerWaalsContact O-N 3.1Å
390	M	82.9	Confident	76.8	Confident	4 Å²	4	29.5 Å²	29.5	2%	0.02	16%	0.159	C	C	.	.	H	α-helix	trans	-64.7	-46	177.9	-71	-82.6	78.7	0	0	112.3	I241 L386 W387 F392 L393 M394 F398 L434 F437	I241-M390 HydrophobicContact CD1-CE 3.8Å; I241-M390 HydrophobicContact CG1-CE 4.39Å; L386-M390 WeakPolarHBondContact O-CG 3.19Å; L386-M390 PolarHBondContact O-N 3.24Å; W387-M390 PolarHBondContact O-N 2.83Å; M390-F392 VanDerWaalsContact C-N 3.26Å; M390-F392 PolarHBondContact O-N 2.75Å; M390-L393 HydrophobicContact CE-CD1 3.34Å; M390-L393 PolarHBondContact O-N 2.98Å; M390-L393 VanDerWaalsContact O-N 3.16Å; M390-M394 PolarHBondContact O-N 3.39Å; M390-F398 HydrophobicContact CB-CD2 4.13Å; M390-F398 HydrophobicContact CB-CE2 4.15Å; M390-L434 HydrophobicContact CG-CD2 4.2Å; M390-L434 HydrophobicContact SD-CD2 3.75Å; M390-F437 HydrophobicContact CE-CB 3.86Å; M390-F437 HydrophobicContact CE-CG 4.44Å
391	H	85.8	Confident	77	Confident	24 Å²	24	33.3 Å²	33.3	11%	0.111	18%	0.176	C	C	.	.	H	α-helix	trans	-61.6	-36.9	174.2	178.1	-90.2	0	0	0	111.8	W360 W387 L393 M394 P395 F398	W360-H391 AromaticContact CH2-CE1 3.52Å; W360-H391 AromaticContact CH2-ND1 3.17Å; W360-H391 WeakPolarHBondContact CH2-ND1 3.37Å; W360-H391 HydrophobicContact CZ2-CB 4.45Å; W360-H391 AromaticContact CZ2-CE1 3.96Å; W360-H391 AromaticContact CZ2-ND1 3.14Å; W360-H391 WeakPolarHBondContact CZ2-ND1 3.27Å; W387-H391 HydrophobicContact CH2-CB 4.44Å; W387-H391 HydrophobicContact CZ2-CB 4.18Å; W387-H391 WeakPolarHBondContact O-CB 3.38Å; W387-H391 PolarHBondContact O-N 2.79Å; H391-L393 VanDerWaalsContact C-N 3.3Å; H391-L393 PolarHBondContact O-N 3.48Å; H391-M394 CarbonylContact O-C 3.59Å; H391-M394 PolarHBondContact O-N 3.08Å; H391-P395 WeakPolarHBondContact O-CA 3.28Å; H391-P395 WeakPolarHBondContact O-CD 2.78Å; H391-P395 VanDerWaalsContact O-N 3.1Å; H391-F398 HydrophobicContact CB-CB 4.32Å; H391-F398 PolarHBondContact CD2-O 3.43Å
392	F	87	Confident	77.2	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.7	-35.5	176.3	-174.2	-93.6	0	0	0	112.9	M344 L346 I352 L363 L364 R371 L373 S388 L389 M390	M344-F392 HydrophobicContact CE-CE1 3.75Å; M344-F392 HydrophobicContact CE-CE2 4.48Å; M344-F392 HydrophobicContact CE-CZ 3.39Å; M344-F392 HydrophobicContact SD-CZ 4.48Å; L346-F392 HydrophobicContact CD1-CD1 4.42Å; L346-F392 HydrophobicContact CD1-CE1 3.54Å; L346-F392 HydrophobicContact CD1-CZ 3.64Å; L346-F392 HydrophobicContact CG-CE1 4.42Å; I352-F392 HydrophobicContact CD1-CD1 4.16Å; I352-F392 HydrophobicContact CD1-CD2 4.42Å; I352-F392 HydrophobicContact CD1-CE1 4.4Å; I352-F392 HydrophobicContact CD1-CG 4.16Å; L363-F392 HydrophobicContact CB-CE2 3.61Å; L363-F392 HydrophobicContact CB-CZ 3.88Å; L364-F392 HydrophobicContact CD1-CD2 4.3Å; R371-F392 PolarHBondContact NH1-O 3.46Å; L373-F392 HydrophobicContact CD1-CD1 4.19Å; L373-F392 HydrophobicContact CD2-CD1 3.9Å; L373-F392 HydrophobicContact CD2-CE1 3.87Å; L373-F392 HydrophobicContact CG-CD1 4.5Å; S388-F392 VanDerWaalsContact O-CB 3.31Å; S388-F392 WeakPolarHBondContact O-CB 3.31Å; S388-F392 PolarHBondContact O-N 3.04Å; L389-F392 WeakPolarHBondContact O-CB 3.31Å; L389-F392 PolarHBondContact O-N 3.39Å; M390-F392 VanDerWaalsContact C-N 3.26Å; M390-F392 PolarHBondContact O-N 2.75Å
393	L	85.2	Confident	77.2	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-74.6	-41.3	176.4	-72	158.2	0	0	0	112.6	N239 I241 R371 L373 L389 M390 H391	N239-L393 HydrophobicContact CB-CB 4.26Å; N239-L393 HydrophobicContact CB-CD2 3.58Å; N239-L393 PolarHBondContact ND2-O 3.07Å; I241-L393 HydrophobicContact CD1-CD1 3.61Å; I241-L393 HydrophobicContact CG1-CD1 3.34Å; R371-L393 HydrophobicContact CB-CD2 4.42Å; L373-L393 HydrophobicContact CD1-CD1 3.92Å; L373-L393 HydrophobicContact CD1-CD2 4.03Å; L373-L393 HydrophobicContact CD1-CG 3.78Å; L373-L393 HydrophobicContact CG-CD2 3.92Å; L373-L393 HydrophobicContact CG-CG 4.25Å; L389-L393 WeakPolarHBondContact O-CD1 3.26Å; L389-L393 WeakPolarHBondContact O-CG 3.22Å; L389-L393 PolarHBondContact O-N 2.82Å; L389-L393 VanDerWaalsContact O-N 3.1Å; M390-L393 HydrophobicContact CE-CD1 3.34Å; M390-L393 PolarHBondContact O-N 2.98Å; M390-L393 VanDerWaalsContact O-N 3.16Å; H391-L393 VanDerWaalsContact C-N 3.3Å; H391-L393 PolarHBondContact O-N 3.48Å
394	M	80.2	Confident	77.1	Confident	23 Å²	23	35.6 Å²	35.6	11%	0.113	19%	0.19	C	C	.	.			trans	-138.8	80.2	-174.1	-65.1	-174.2	-70.1	0	0	111	M390 H391 N396 V397 F398 F437	M390-M394 PolarHBondContact O-N 3.39Å; H391-M394 CarbonylContact O-C 3.59Å; H391-M394 PolarHBondContact O-N 3.08Å; M394-N396 PolarHBondContact O-N 3.33Å; M394-V397 HydrophobicContact CB-CB 4.3Å; M394-V397 HydrophobicContact CB-CG2 4.17Å; M394-V397 PolarHBondContact O-N 3.46Å; M394-V397 HydrophobicContact SD-CG2 4.41Å; M394-F398 HydrophobicContact CE-CE2 4.09Å; M394-F437 HydrophobicContact CE-CD1 3.76Å; M394-F437 HydrophobicContact CE-CD2 3.91Å; M394-F437 HydrophobicContact CE-CE1 3.39Å; M394-F437 HydrophobicContact CE-CE2 3.56Å; M394-F437 HydrophobicContact CE-CG 4Å; M394-F437 HydrophobicContact CE-CZ 3.28Å; M394-F437 HydrophobicContact SD-CD1 4.33Å; M394-F437 HydrophobicContact SD-CE1 3.62Å; M394-F437 HydrophobicContact SD-CZ 3.8Å
395	P	77.3	Confident	76.9	Confident	43 Å²	43	39.8 Å²	39.8	28%	0.279	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.8	-177.3	22.7	-32.1	0	0	0	113.2	L364 H391 V397 Q399	L364-P395 HydrophobicContact CD1-CB 4.44Å; H391-P395 WeakPolarHBondContact O-CA 3.28Å; H391-P395 WeakPolarHBondContact O-CD 2.78Å; H391-P395 VanDerWaalsContact O-N 3.1Å; P395-V397 VanDerWaalsContact C-N 3.34Å; P395-V397 PolarHBondContact O-N 3Å; P395-Q399 WeakPolarHBondContact O-CG 3.33Å
396	N	70.9	Confident	76.6	Confident	130 Å²	130	45.1 Å²	45.1	70%	0.695	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-26.5	-177.5	-63.1	-10.3	0	0	0	113.2	M394	M394-N396 PolarHBondContact O-N 3.33Å
397	V	69.1	Low	76	Confident	49 Å²	49	51.9 Å²	51.9	30%	0.297	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-42.4	-173.2	177.5	0	0	0	0	111.1	L187 M394 P395	L187-V397 HydrophobicContact CD1-CG1 3.39Å; M394-V397 HydrophobicContact CB-CB 4.3Å; M394-V397 HydrophobicContact CB-CG2 4.17Å; M394-V397 PolarHBondContact O-N 3.46Å; M394-V397 HydrophobicContact SD-CG2 4.41Å; P395-V397 VanDerWaalsContact C-N 3.34Å; P395-V397 PolarHBondContact O-N 3Å
398	F	65.9	Low	75.4	Confident	29 Å²	29	52.3 Å²	52.3	13%	0.127	26%	0.257	C	S	.	.			trans	-108.5	49.2	-167.4	-70.2	-72.9	0	0	0	114.4	L187 M390 H391 M394 S400 V433	L187-F398 HydrophobicContact CD1-CZ 4.34Å; M390-F398 HydrophobicContact CB-CD2 4.13Å; M390-F398 HydrophobicContact CB-CE2 4.15Å; H391-F398 HydrophobicContact CB-CB 4.32Å; H391-F398 PolarHBondContact CD2-O 3.43Å; M394-F398 HydrophobicContact CE-CE2 4.09Å; F398-S400 PolarHBondContact O-N 3.5Å; F398-V433 HydrophobicContact CZ-CG1 4.12Å
399	Q	67.1	Low	74.6	Confident	114 Å²	114	52.6 Å²	52.6	53%	0.533	26%	0.259	S	S	.	.			trans	-68.2	-32.2	-174.7	-65.7	178.3	-11.7	0	0	114	P395	P395-Q399 WeakPolarHBondContact O-CG 3.33Å
400	S	69.1	Low	74	Confident	49 Å²	49	55.5 Å²	55.5	34%	0.343	27%	0.274	S	S	.	.			trans	-94.3	110	-177.9	49	0	0	0	0	112.1	F398 D403	F398-S400 PolarHBondContact O-N 3.5Å; S400-D403 WeakPolarHBondContact CB-OD2 3.45Å; S400-D403 VanDerWaalsContact OG-CG 3.22Å; S400-D403 PolarHBondContact OG-OD2 3.36Å
401	H	71.6	Confident	73.4	Confident	96 Å²	96	57.3 Å²	57.3	44%	0.444	29%	0.287	S	S	.	.	H	α-helix	trans	-76.1	-24.8	172.3	69.1	-71.9	0	0	0	112.9	W387 R405	W387-H401 HydrophobicContact CD2-CB 4.2Å; W387-H401 HydrophobicContact CE3-CB 4.29Å; W387-H401 HydrophobicContact CH2-CB 3.6Å; W387-H401 HydrophobicContact CZ2-CB 3.45Å; W387-H401 VanDerWaalsContact CZ2-CB 3.45Å; W387-H401 HydrophobicContact CZ3-CB 4.01Å; H401-R405 WeakPolarHBondContact O-CB 3.39Å; H401-R405 PolarHBondContact O-N 3.08Å
402	S	71.8	Confident	72.5	Confident	52 Å²	52	56.8 Å²	56.8	36%	0.364	29%	0.285	S	S	.	.	H	α-helix	trans	-63.3	-47.1	177.8	44.9	0	0	0	0	111.7	F404 R405 E406	S402-F404 PolarHBondContact O-N 2.88Å; S402-R405 WeakPolarHBondContact O-CB 3.39Å; S402-R405 PolarHBondContact O-N 3.44Å; S402-R405 VanDerWaalsContact O-N 3.12Å; S402-E406 PolarHBondContact O-N 3.22Å
403	D	72.2	Confident	71.6	Confident	54 Å²	54	59.9 Å²	59.9	29%	0.289	30%	0.304	S	S	.	.	H	α-helix	trans	-68	-43.2	-172.3	-51	-2.1	0	0	0	109.7	S400 R405 E406 W407	S400-D403 WeakPolarHBondContact CB-OD2 3.45Å; S400-D403 VanDerWaalsContact OG-CG 3.22Å; S400-D403 PolarHBondContact OG-OD2 3.36Å; D403-R405 VanDerWaalsContact C-N 3.29Å; D403-R405 PolarHBondContact O-N 3.28Å; D403-E406 PolarHBondContact O-N 3.45Å; D403-W407 HydrophobicContact CB-CD2 4.28Å; D403-W407 HydrophobicContact CB-CE3 4.34Å; D403-W407 HydrophobicContact CB-CH2 3.91Å; D403-W407 HydrophobicContact CB-CZ2 3.84Å; D403-W407 HydrophobicContact CB-CZ3 4.16Å; D403-W407 VanDerWaalsContact O-CB 3.3Å; D403-W407 WeakPolarHBondContact O-CB 3.26Å; D403-W407 VanDerWaalsContact O-CD2 3.29Å; D403-W407 PolarHBondContact O-N 3.02Å
404	F	72.7	Confident	70.8	Confident	13 Å²	13	63.2 Å²	63.2	6%	0.057	32%	0.321	C	S	.	.	H	α-helix	trans	-61.8	-38.8	174.1	-169.5	-86.8	0	0	0	112.2	W387 S402 F408 L430	W387-F404 HydrophobicContact CB-CD1 3.64Å; W387-F404 HydrophobicContact CB-CE1 3.8Å; W387-F404 HydrophobicContact CB-CG 4.06Å; W387-F404 HydrophobicContact CB-CZ 4.34Å; W387-F404 AromaticContact CD1-CD2 3.96Å; W387-F404 AromaticContact CD1-CG 3.56Å; W387-F404 HydrophobicContact CG-CB 4.29Å; W387-F404 HydrophobicContact CG-CD1 4.1Å; W387-F404 HydrophobicContact CG-CG 4.09Å; S402-F404 PolarHBondContact O-N 2.88Å; F404-F408 HydrophobicContact CD1-CD2 4.46Å; F404-F408 AromaticContact CD2-CD2 3.58Å; F404-F408 HydrophobicContact CD2-CD2 3.58Å; F404-F408 AromaticContact CD2-CE2 3.97Å; F404-F408 HydrophobicContact CD2-CE2 3.97Å; F404-F408 HydrophobicContact CE1-CB 4.28Å; F404-F408 HydrophobicContact CE1-CD2 4.4Å; F404-F408 AromaticContact CE2-CD2 3.51Å; F404-F408 HydrophobicContact CE2-CD2 3.51Å; F404-F408 AromaticContact CE2-CE2 3.92Å; F404-F408 HydrophobicContact CE2-CE2 3.92Å; F404-F408 HydrophobicContact CE2-CG 4.34Å; F404-F408 HydrophobicContact CG-CD2 4.08Å; F404-F408 HydrophobicContact CZ-CB 4.31Å; F404-F408 AromaticContact CZ-CD2 3.95Å; F404-F408 HydrophobicContact CZ-CD2 3.95Å; F404-F408 HydrophobicContact CZ-CG 4.38Å; F404-F408 PolarHBondContact O-N 3.16Å; F404-L430 HydrophobicContact CE2-CD1 4.46Å; F404-L430 HydrophobicContact CZ-CD1 4.31Å
405	R	73.3	Confident	70.2	Confident	116 Å²	116	63.4 Å²	63.4	44%	0.438	32%	0.322	S	S	.	.	I	π-helix	trans	-62.3	-47.1	178.2	-167.6	-174.1	-178.5	161.9	6.9	110.9	M384 H401 S402 D403 S409 N410 D811	M384-R405 HydrophobicContact CE-CB 4.45Å; M384-R405 HydrophobicContact SD-CB 4.07Å; M384-R405 HydrophobicContact SD-CG 4.04Å; H401-R405 WeakPolarHBondContact O-CB 3.39Å; H401-R405 PolarHBondContact O-N 3.08Å; S402-R405 WeakPolarHBondContact O-CB 3.39Å; S402-R405 PolarHBondContact O-N 3.44Å; S402-R405 VanDerWaalsContact O-N 3.12Å; D403-R405 VanDerWaalsContact C-N 3.29Å; D403-R405 PolarHBondContact O-N 3.28Å; R405-S409 VanDerWaalsContact CA-OG 3.25Å; R405-S409 WeakPolarHBondContact CA-OG 3.34Å; R405-S409 WeakPolarHBondContact CG-OG 3.47Å; R405-S409 PolarHBondContact O-N 3.29Å; R405-S409 VanDerWaalsContact O-N 3.07Å; R405-S409 PolarHBondContact O-OG 3.34Å; R405-N410 PolarHBondContact O-N 3.2Å; R405-N410 VanDerWaalsContact O-N 3.14Å; R405-D811 IonicContact NH2-OD2 3.57Å
406	E	72.3	Confident	69.6	Low	128 Å²	128	63.2 Å²	63.2	60%	0.598	32%	0.318	S	S	*	.	I	π-helix	trans	-69.8	-39.9	179.6	-71.2	-175.8	172.3	0	0	112.5	S402 D403 P411	S402-E406 PolarHBondContact O-N 3.22Å; D403-E406 PolarHBondContact O-N 3.45Å; E406-P411 WeakPolarHBondContact O-CD 3.43Å
407	W	68.8	Low	69.2	Low	146 Å²	146	60.6 Å²	60.6	55%	0.553	31%	0.305	S	S	*	.	I	π-helix	trans	-74.4	-33.7	-177.3	-62.6	-15	0	0	0	113.7	D403 L426	D403-W407 HydrophobicContact CB-CD2 4.28Å; D403-W407 HydrophobicContact CB-CE3 4.34Å; D403-W407 HydrophobicContact CB-CH2 3.91Å; D403-W407 HydrophobicContact CB-CZ2 3.84Å; D403-W407 HydrophobicContact CB-CZ3 4.16Å; D403-W407 VanDerWaalsContact O-CB 3.3Å; D403-W407 WeakPolarHBondContact O-CB 3.26Å; D403-W407 VanDerWaalsContact O-CD2 3.29Å; D403-W407 PolarHBondContact O-N 3.02Å; W407-L426 WeakPolarHBondContact O-CD1 3.4Å
408	F	70.5	Confident	68.9	Low	20 Å²	20	61.2 Å²	61.2	9%	0.088	32%	0.321	C	S	.	.	I	π-helix	trans	-125.4	-42.7	-171.6	-60.3	-70.4	0	0	0	114.2	F404 L412 L426 L430	F404-F408 HydrophobicContact CD1-CD2 4.46Å; F404-F408 AromaticContact CD2-CD2 3.58Å; F404-F408 HydrophobicContact CD2-CD2 3.58Å; F404-F408 AromaticContact CD2-CE2 3.97Å; F404-F408 HydrophobicContact CD2-CE2 3.97Å; F404-F408 HydrophobicContact CE1-CB 4.28Å; F404-F408 HydrophobicContact CE1-CD2 4.4Å; F404-F408 AromaticContact CE2-CD2 3.51Å; F404-F408 HydrophobicContact CE2-CD2 3.51Å; F404-F408 AromaticContact CE2-CE2 3.92Å; F404-F408 HydrophobicContact CE2-CE2 3.92Å; F404-F408 HydrophobicContact CE2-CG 4.34Å; F404-F408 HydrophobicContact CG-CD2 4.08Å; F404-F408 HydrophobicContact CZ-CB 4.31Å; F404-F408 AromaticContact CZ-CD2 3.95Å; F404-F408 HydrophobicContact CZ-CD2 3.95Å; F404-F408 HydrophobicContact CZ-CG 4.38Å; F404-F408 PolarHBondContact O-N 3.16Å; F408-L412 WeakPolarHBondContact O-CB 3.44Å; F408-L412 WeakPolarHBondContact O-CD1 3.31Å; F408-L412 VanDerWaalsContact O-CG 3.28Å; F408-L412 WeakPolarHBondContact O-CG 3.5Å; F408-L412 PolarHBondContact O-N 3.24Å; F408-L426 HydrophobicContact CD1-CG 4.35Å; F408-L430 HydrophobicContact CD1-CB 3.94Å; F408-L430 HydrophobicContact CD1-CD1 3.76Å; F408-L430 HydrophobicContact CD1-CG 4.33Å; F408-L430 HydrophobicContact CD2-CD1 4.33Å; F408-L430 HydrophobicContact CE1-CB 3.74Å; F408-L430 HydrophobicContact CE1-CD1 3.91Å; F408-L430 HydrophobicContact CE1-CG 4.43Å; F408-L430 HydrophobicContact CE2-CD1 4.46Å; F408-L430 HydrophobicContact CG-CD1 3.97Å; F408-L430 HydrophobicContact CZ-CD1 4.26Å
409	S	67.6	Low	68.7	Low	6 Å²	6	63.4 Å²	63.4	4%	0.042	34%	0.34	C	S	.	.	I	π-helix	trans	-74.8	-49.8	-171	72.8	0	0	0	0	113.5	R405 L412 T413	R405-S409 VanDerWaalsContact CA-OG 3.25Å; R405-S409 WeakPolarHBondContact CA-OG 3.34Å; R405-S409 WeakPolarHBondContact CG-OG 3.47Å; R405-S409 PolarHBondContact O-N 3.29Å; R405-S409 VanDerWaalsContact O-N 3.07Å; R405-S409 PolarHBondContact O-OG 3.34Å; S409-L412 PolarHBondContact O-N 3.13Å; S409-T413 WeakPolarHBondContact O-CB 3.06Å; S409-T413 PolarHBondContact O-N 3.3Å; S409-T413 PolarHBondContact O-OG1 3.15Å; S409-T413 VanDerWaalsContact O-OG1 3.05Å
410	N	72.3	Confident	68.4	Low	67 Å²	67	62 Å²	62	36%	0.358	34%	0.339	S	S	.	.	H	α-helix	trans	-64	-45.1	-176.7	-58.7	-17.7	0	0	0	112.1	R405 N414	R405-N410 PolarHBondContact O-N 3.2Å; R405-N410 VanDerWaalsContact O-N 3.14Å; N410-N414 WeakPolarHBondContact O-CB 3.32Å; N410-N414 PolarHBondContact O-N 3.21Å; N410-N414 VanDerWaalsContact O-N 3.1Å; N410-N414 PolarHBondContact O-ND2 3.23Å; N410-N414 PolarHBondContact O-OD1 3.31Å
411	P	70.3	Confident	68.2	Low	43 Å²	43	68.3 Å²	68.3	28%	0.279	36%	0.363	S	S	.	.	H	α-helix	trans	-64.6	-41.6	179.6	-21.6	34.3	0	0	0	112.8	E406 N414 M415 L426	E406-P411 WeakPolarHBondContact O-CD 3.43Å; P411-N414 PolarHBondContact O-N 3.36Å; P411-M415 VanDerWaalsContact O-CG 3.29Å; P411-M415 WeakPolarHBondContact O-CG 3.18Å; P411-M415 PolarHBondContact O-N 3.03Å; P411-L426 HydrophobicContact CB-CD2 3.64Å; P411-L426 HydrophobicContact CG-CD2 4.2Å
412	L	67.2	Low	67.9	Low	13 Å²	13	68 Å²	68	7%	0.068	36%	0.361	C	S	.	.	H	α-helix	trans	-70.3	-38.7	-178.4	-72	171.6	0	0	0	112.3	L383 F408 S409 M415 I416 L426 V427 L430	L383-L412 HydrophobicContact CD1-CB 3.65Å; L383-L412 HydrophobicContact CD1-CD1 3.39Å; L383-L412 HydrophobicContact CD1-CG 4.11Å; L383-L412 HydrophobicContact CD2-CD1 4.31Å; L383-L412 HydrophobicContact CG-CD1 4.49Å; F408-L412 WeakPolarHBondContact O-CB 3.44Å; F408-L412 WeakPolarHBondContact O-CD1 3.31Å; F408-L412 VanDerWaalsContact O-CG 3.28Å; F408-L412 WeakPolarHBondContact O-CG 3.5Å; F408-L412 PolarHBondContact O-N 3.24Å; S409-L412 PolarHBondContact O-N 3.13Å; L412-M415 HydrophobicContact CD2-CE 3.91Å; L412-M415 HydrophobicContact CD2-SD 4.07Å; L412-M415 PolarHBondContact O-N 3.45Å; L412-I416 WeakPolarHBondContact O-CD1 3.35Å; L412-I416 WeakPolarHBondContact O-CG1 3.14Å; L412-I416 PolarHBondContact O-N 2.9Å; L412-L426 HydrophobicContact CD1-CD2 4.5Å; L412-L426 HydrophobicContact CD2-CD2 4.18Å; L412-L426 HydrophobicContact CG-CD2 3.91Å; L412-V427 HydrophobicContact CD2-CG2 4.12Å; L412-L430 HydrophobicContact CD1-CD2 4.38Å
413	T	69	Low	67.7	Low	65 Å²	65	68.9 Å²	68.9	40%	0.399	36%	0.361	S	S	.	.	H	α-helix	trans	-62	-46.5	173.4	-59.3	0	0	0	0	110.9	S409 M415 I416 D417	S409-T413 WeakPolarHBondContact O-CB 3.06Å; S409-T413 PolarHBondContact O-N 3.3Å; S409-T413 PolarHBondContact O-OG1 3.15Å; S409-T413 VanDerWaalsContact O-OG1 3.05Å; T413-M415 VanDerWaalsContact C-N 3.29Å; T413-M415 PolarHBondContact O-N 3Å; T413-I416 PolarHBondContact O-N 3.05Å; T413-I416 VanDerWaalsContact O-N 3.1Å; T413-D417 PolarHBondContact O-N 3.27Å; T413-D417 VanDerWaalsContact O-N 3.08Å
414	N	67.5	Low	67.8	Low	72 Å²	72	71.3 Å²	71.3	39%	0.385	37%	0.37	S	S	.	.	H	α-helix	trans	-62.8	-33.9	178.9	-68.4	-8.7	0	0	0	113.1	N410 P411 S419 V420	N410-N414 WeakPolarHBondContact O-CB 3.32Å; N410-N414 PolarHBondContact O-N 3.21Å; N410-N414 VanDerWaalsContact O-N 3.1Å; N410-N414 PolarHBondContact O-ND2 3.23Å; N410-N414 PolarHBondContact O-OD1 3.31Å; P411-N414 PolarHBondContact O-N 3.36Å; N414-S419 WeakPolarHBondContact CB-OG 3.37Å; N414-S419 PolarHBondContact O-N 2.85Å; N414-S419 VanDerWaalsContact O-N 3.11Å; N414-S419 PolarHBondContact O-OG 2.84Å; N414-V420 HydrophobicContact CB-CG2 4.03Å
415	M	67.7	Low	67.8	Low	26 Å²	26	76.7 Å²	76.7	13%	0.128	40%	0.396	C	S	.	.	H	α-helix	trans	-65.4	-39	174	-78.3	170.4	41.6	0	0	112.4	P411 L412 T413 G418 F422 D423	P411-M415 VanDerWaalsContact O-CG 3.29Å; P411-M415 WeakPolarHBondContact O-CG 3.18Å; P411-M415 PolarHBondContact O-N 3.03Å; L412-M415 HydrophobicContact CD2-CE 3.91Å; L412-M415 HydrophobicContact CD2-SD 4.07Å; L412-M415 PolarHBondContact O-N 3.45Å; T413-M415 VanDerWaalsContact C-N 3.29Å; T413-M415 PolarHBondContact O-N 3Å; M415-G418 PolarHBondContact O-N 3.1Å; M415-F422 HydrophobicContact CE-CB 4.24Å; M415-F422 HydrophobicContact CE-CD2 3.27Å; M415-F422 HydrophobicContact CE-CE2 3.73Å; M415-F422 HydrophobicContact CE-CG 3.85Å; M415-D423 HydrophobicContact SD-CB 4.16Å; M415-D423 PolarHBondContact SD-N 3.3Å; M415-D423 VanDerWaalsContact SD-N 3.44Å
416	I	64	Low	67.8	Low	39 Å²	39	72.1 Å²	72.1	20%	0.2	38%	0.38	C	S	.	.	H	α-helix	trans	-73.8	-36	-178.5	-70	157.5	0	0	0	111.8	L412 T413 G418 Q773 L777	L412-I416 WeakPolarHBondContact O-CD1 3.35Å; L412-I416 WeakPolarHBondContact O-CG1 3.14Å; L412-I416 PolarHBondContact O-N 2.9Å; T413-I416 PolarHBondContact O-N 3.05Å; T413-I416 VanDerWaalsContact O-N 3.1Å; I416-G418 PolarHBondContact O-N 2.62Å; I416-G418 VanDerWaalsContact O-N 3.15Å; I416-Q773 HydrophobicContact CG2-CB 4.43Å; I416-L777 HydrophobicContact CD1-CB 3.48Å; I416-L777 VanDerWaalsContact CD1-CB 3.48Å; I416-L777 HydrophobicContact CD1-CD1 3.21Å; I416-L777 HydrophobicContact CD1-CD2 3.96Å; I416-L777 HydrophobicContact CD1-CG 3.65Å
417	D	63.7	Low	67.8	Low	76 Å²	76	66.3 Å²	66.3	41%	0.406	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-3.3	175	-66.3	-24.7	0	0	0	112.3	T413 S419	T413-D417 PolarHBondContact O-N 3.27Å; T413-D417 VanDerWaalsContact O-N 3.08Å; D417-S419 VanDerWaalsContact C-N 3.3Å; D417-S419 PolarHBondContact O-N 3.24Å
418	G	63.2	Low	68	Low	62 Å²	62	65 Å²	65	64%	0.639	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	10.3	176.6	0	0	0	0	0	114.2	M415 I416	M415-G418 PolarHBondContact O-N 3.1Å; I416-G418 PolarHBondContact O-N 2.62Å; I416-G418 VanDerWaalsContact O-N 3.15Å
419	S	61	Low	68.2	Low	75 Å²	75	71.5 Å²	71.5	52%	0.524	38%	0.375	S	S	.	.	S	Bend	trans	-82.3	-20.8	-176.8	66.5	0	0	0	0	114.1	N414 D417	N414-S419 WeakPolarHBondContact CB-OG 3.37Å; N414-S419 PolarHBondContact O-N 2.85Å; N414-S419 VanDerWaalsContact O-N 3.11Å; N414-S419 PolarHBondContact O-OG 2.84Å; D417-S419 VanDerWaalsContact C-N 3.3Å; D417-S419 PolarHBondContact O-N 3.24Å
420	V	61.2	Low	68.6	Low	85 Å²	85	71.3 Å²	71.3	52%	0.515	37%	0.374	S	S	.	.	S	Bend	trans	-136.7	141.6	-176.7	-175.4	0	0	0	0	109.7	N414	N414-V420 HydrophobicContact CB-CG2 4.03Å
421	E	63.8	Low	68.6	Low	181 Å²	181	69.7 Å²	69.7	85%	0.846	36%	0.364	S	S	*	.			trans	-59.2	150.2	173.7	-68.2	-175.2	168.6	0	0	111.9	D423	E421-D423 PolarHBondContact O-N 2.91Å
422	F	65.4	Low	68.7	Low	90 Å²	90	74.1 Å²	74.1	40%	0.395	38%	0.379	S	S	.	.			trans	-65.5	113.5	-175.8	-178.6	-91.6	0	0	0	112	M415 E424 V427 L780	M415-F422 HydrophobicContact CE-CB 4.24Å; M415-F422 HydrophobicContact CE-CD2 3.27Å; M415-F422 HydrophobicContact CE-CE2 3.73Å; M415-F422 HydrophobicContact CE-CG 3.85Å; F422-E424 HydrophobicContact CD1-CB 4.28Å; F422-E424 HydrophobicContact CE1-CB 3.95Å; F422-E424 HydrophobicContact CE1-CG 4.21Å; F422-E424 PolarHBondContact O-N 2.91Å; F422-V427 HydrophobicContact CZ-CG2 4.33Å; F422-L780 HydrophobicContact CE2-CD1 4.42Å; F422-L780 HydrophobicContact CE2-CD2 4.15Å
423	D	68.1	Low	69	Low	70 Å²	70	75.3 Å²	75.3	37%	0.374	39%	0.386	S	S	.	.			trans	-90	93	175.8	-172.9	2.9	0	0	0	111.7	M415 E421 Q425 L426	M415-D423 HydrophobicContact SD-CB 4.16Å; M415-D423 PolarHBondContact SD-N 3.3Å; M415-D423 VanDerWaalsContact SD-N 3.44Å; E421-D423 PolarHBondContact O-N 2.91Å; D423-Q425 PolarHBondContact O-N 3.45Å; D423-Q425 WeakPolarHBondContact OD1-CB 3.18Å; D423-Q425 PolarHBondContact OD1-N 2.82Å; D423-L426 HydrophobicContact CB-CB 4.26Å; D423-L426 PolarHBondContact O-N 2.88Å
424	E	74.2	Confident	69.3	Low	104 Å²	104	72.7 Å²	72.7	49%	0.486	37%	0.37	S	S	.	.	H	α-helix	trans	-61.9	-27.3	176.7	-162.7	-167.3	169.2	0	0	112.5	F422 V427 K428	F422-E424 HydrophobicContact CD1-CB 4.28Å; F422-E424 HydrophobicContact CE1-CB 3.95Å; F422-E424 HydrophobicContact CE1-CG 4.21Å; F422-E424 PolarHBondContact O-N 2.91Å; E424-V427 PolarHBondContact O-N 3.31Å; E424-K428 HydrophobicContact CG-CD 4.47Å; E424-K428 WeakPolarHBondContact O-CG 3.43Å; E424-K428 PolarHBondContact O-N 3Å; E424-K428 VanDerWaalsContact O-N 3.08Å; E424-K428 WeakPolarHBondContact OE1-CE 3.37Å; E424-K428 IonicContact OE1-NZ 3.77Å; E424-K428 PolarHBondContact OE1-NZ 3.27Å; E424-K428 IonicContact OE2-NZ 2.73Å; E424-K428 PolarHBondContact OE2-NZ 3.1Å
425	Q	73.8	Confident	69.5	Low	127 Å²	127	73.2 Å²	73.2	59%	0.593	37%	0.367	S	S	*	.	H	α-helix	trans	-70.3	-35.9	-178	-58.1	-170.8	4	0	0	111.5	D423 K428 R429	D423-Q425 PolarHBondContact O-N 3.45Å; D423-Q425 WeakPolarHBondContact OD1-CB 3.18Å; D423-Q425 PolarHBondContact OD1-N 2.82Å; Q425-K428 PolarHBondContact O-N 3.18Å; Q425-R429 WeakPolarHBondContact O-CG 3.42Å; Q425-R429 PolarHBondContact O-N 3.35Å
426	L	72.1	Confident	69.7	Low	20 Å²	20	72 Å²	72	11%	0.105	36%	0.361	C	S	.	.	H	α-helix	trans	-62.5	-46.2	176.3	-163.1	76.4	0	0	0	111.5	W407 F408 P411 L412 D423 R429 L430	W407-L426 WeakPolarHBondContact O-CD1 3.4Å; F408-L426 HydrophobicContact CD1-CG 4.35Å; P411-L426 HydrophobicContact CB-CD2 3.64Å; P411-L426 HydrophobicContact CG-CD2 4.2Å; L412-L426 HydrophobicContact CD1-CD2 4.5Å; L412-L426 HydrophobicContact CD2-CD2 4.18Å; L412-L426 HydrophobicContact CG-CD2 3.91Å; D423-L426 HydrophobicContact CB-CB 4.26Å; D423-L426 PolarHBondContact O-N 2.88Å; L426-R429 PolarHBondContact O-N 3.18Å; L426-L430 PolarHBondContact O-N 3.14Å
427	V	72.5	Confident	70.4	Confident	6 Å²	6	70.2 Å²	70.2	4%	0.036	35%	0.352	C	S	.	.	H	α-helix	trans	-62.6	-44.9	179	179.1	0	0	0	0	110.3	L412 F422 E424 R429 L430 H431	L412-V427 HydrophobicContact CD2-CG2 4.12Å; F422-V427 HydrophobicContact CZ-CG2 4.33Å; E424-V427 PolarHBondContact O-N 3.31Å; V427-R429 VanDerWaalsContact C-N 3.34Å; V427-R429 PolarHBondContact O-N 3.14Å; V427-L430 WeakPolarHBondContact O-CB 3.49Å; V427-L430 PolarHBondContact O-N 2.87Å; V427-H431 WeakPolarHBondContact CG1-CE1 3.4Å; V427-H431 PolarHBondContact O-N 3.45Å
428	K	73.5	Confident	71.3	Confident	117 Å²	117	67.7 Å²	67.7	51%	0.509	34%	0.338	S	S	.	.	H	α-helix	trans	-60	-40	175.1	-75.3	174.1	-179	163.7	0	113	E424 Q425 K432	E424-K428 HydrophobicContact CG-CD 4.47Å; E424-K428 WeakPolarHBondContact O-CG 3.43Å; E424-K428 PolarHBondContact O-N 3Å; E424-K428 VanDerWaalsContact O-N 3.08Å; E424-K428 WeakPolarHBondContact OE1-CE 3.37Å; E424-K428 IonicContact OE1-NZ 3.77Å; E424-K428 PolarHBondContact OE1-NZ 3.27Å; E424-K428 IonicContact OE2-NZ 2.73Å; E424-K428 PolarHBondContact OE2-NZ 3.1Å; Q425-K428 PolarHBondContact O-N 3.18Å; K428-K432 WeakPolarHBondContact O-CB 3.44Å; K428-K432 PolarHBondContact O-N 2.91Å
429	R	74.7	Confident	72.3	Confident	158 Å²	158	65.6 Å²	65.6	60%	0.596	31%	0.312	S	S	*	.	H	α-helix	trans	-65.1	-44.9	175.5	-73.3	175.1	-172.9	-174.7	5.5	111.4	Q425 L426 V427 K432 V433	Q425-R429 WeakPolarHBondContact O-CG 3.42Å; Q425-R429 PolarHBondContact O-N 3.35Å; L426-R429 PolarHBondContact O-N 3.18Å; V427-R429 VanDerWaalsContact C-N 3.34Å; V427-R429 PolarHBondContact O-N 3.14Å; R429-K432 PolarHBondContact O-N 2.82Å; R429-V433 WeakPolarHBondContact O-CG2 3.45Å; R429-V433 PolarHBondContact O-N 2.94Å
430	L	74.8	Confident	73.4	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-58.5	-49.5	176.4	-178.6	69.2	0	0	0	110.6	F404 F408 L412 L426 V427 K432 V433 L434	F404-L430 HydrophobicContact CE2-CD1 4.46Å; F404-L430 HydrophobicContact CZ-CD1 4.31Å; F408-L430 HydrophobicContact CD1-CB 3.94Å; F408-L430 HydrophobicContact CD1-CD1 3.76Å; F408-L430 HydrophobicContact CD1-CG 4.33Å; F408-L430 HydrophobicContact CD2-CD1 4.33Å; F408-L430 HydrophobicContact CE1-CB 3.74Å; F408-L430 HydrophobicContact CE1-CD1 3.91Å; F408-L430 HydrophobicContact CE1-CG 4.43Å; F408-L430 HydrophobicContact CE2-CD1 4.46Å; F408-L430 HydrophobicContact CG-CD1 3.97Å; F408-L430 HydrophobicContact CZ-CD1 4.26Å; L412-L430 HydrophobicContact CD1-CD2 4.38Å; L426-L430 PolarHBondContact O-N 3.14Å; V427-L430 WeakPolarHBondContact O-CB 3.49Å; V427-L430 PolarHBondContact O-N 2.87Å; L430-K432 VanDerWaalsContact C-N 3.34Å; L430-K432 PolarHBondContact O-N 3.22Å; L430-V433 PolarHBondContact O-N 2.7Å; L430-V433 VanDerWaalsContact O-N 3.16Å; L430-L434 HydrophobicContact CD1-CD1 4.02Å; L430-L434 HydrophobicContact CD1-CG 4.38Å; L430-L434 HydrophobicContact CD2-CD1 4.35Å; L430-L434 HydrophobicContact CG-CD1 3.79Å; L430-L434 HydrophobicContact CG-CG 4.44Å; L430-L434 WeakPolarHBondContact O-CG 3.34Å; L430-L434 PolarHBondContact O-N 3.28Å
431	H	73.1	Confident	74.5	Confident	33 Å²	33	60.6 Å²	60.6	15%	0.153	27%	0.273	C	S	.	.	H	α-helix	trans	-60.5	-41.9	178.3	-68	166.9	0	0	0	112	V427 V433 L434 R435 A781 E784 G785	V427-H431 WeakPolarHBondContact CG1-CE1 3.4Å; V427-H431 PolarHBondContact O-N 3.45Å; H431-V433 VanDerWaalsContact C-N 3.25Å; H431-V433 PolarHBondContact O-N 3.18Å; H431-L434 PolarHBondContact O-N 3.16Å; H431-R435 WeakPolarHBondContact O-CB 3.33Å; H431-R435 PolarHBondContact O-N 3.27Å; H431-A781 PolarHBondContact CD2-O 3.08Å; H431-A781 PolarHBondContact NE2-O 2.98Å; H431-E784 VanDerWaalsContact CE1-C 3.49Å; H431-G785 PolarHBondContact CE1-N 3.46Å
432	K	72	Confident	75.3	Confident	136 Å²	136	53.3 Å²	53.3	59%	0.591	24%	0.239	S	C	*	.	H	α-helix	trans	-58	-37.3	176.8	-170.1	175.7	-178.1	179.2	0	112.8	K428 R429 L430	K428-K432 WeakPolarHBondContact O-CB 3.44Å; K428-K432 PolarHBondContact O-N 2.91Å; R429-K432 PolarHBondContact O-N 2.82Å; L430-K432 VanDerWaalsContact C-N 3.34Å; L430-K432 PolarHBondContact O-N 3.22Å
433	V	73.7	Confident	75.9	Confident	37 Å²	37	49.4 Å²	49.4	22%	0.224	22%	0.222	C	C	.	.	H	α-helix	trans	-74.1	-38.6	177.8	176	0	0	0	0	111.9	F398 R429 L430 H431 P436	F398-V433 HydrophobicContact CZ-CG1 4.12Å; R429-V433 WeakPolarHBondContact O-CG2 3.45Å; R429-V433 PolarHBondContact O-N 2.94Å; L430-V433 PolarHBondContact O-N 2.7Å; L430-V433 VanDerWaalsContact O-N 3.16Å; H431-V433 VanDerWaalsContact C-N 3.25Å; H431-V433 PolarHBondContact O-N 3.18Å; V433-P436 VanDerWaalsContact O-CD 3.3Å; V433-P436 WeakPolarHBondContact O-CD 3.37Å
434	L	75.8	Confident	76.3	Confident	11 Å²	11	49.8 Å²	49.8	6%	0.058	23%	0.23	C	C	.	.	H	α-helix	trans	-81.1	-33.6	-175.8	-66.2	174.9	0	0	0	113.6	L386 M390 L430 H431 P436 F437 L438	L386-L434 HydrophobicContact CD1-CD2 4.1Å; L386-L434 HydrophobicContact CD2-CD1 3.55Å; L386-L434 HydrophobicContact CD2-CD2 3.85Å; L386-L434 HydrophobicContact CD2-CG 4.32Å; L386-L434 HydrophobicContact CG-CD2 4.09Å; M390-L434 HydrophobicContact CG-CD2 4.2Å; M390-L434 HydrophobicContact SD-CD2 3.75Å; L430-L434 HydrophobicContact CD1-CD1 4.02Å; L430-L434 HydrophobicContact CD1-CG 4.38Å; L430-L434 HydrophobicContact CD2-CD1 4.35Å; L430-L434 HydrophobicContact CG-CD1 3.79Å; L430-L434 HydrophobicContact CG-CG 4.44Å; L430-L434 WeakPolarHBondContact O-CG 3.34Å; L430-L434 PolarHBondContact O-N 3.28Å; H431-L434 PolarHBondContact O-N 3.16Å; L434-P436 VanDerWaalsContact C-N 3.31Å; L434-P436 WeakPolarHBondContact O-CD 3.48Å; L434-P436 VanDerWaalsContact O-N 3.13Å; L434-F437 PolarHBondContact O-N 3.38Å; L434-L438 PolarHBondContact O-N 2.87Å
435	R	71	Confident	76.3	Confident	82 Å²	82	47 Å²	47	31%	0.309	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-42.5	-47.2	-175.9	-173.5	173.9	-168	172.4	12.2	113.6	E195 Q198 H431 F437	E195-R435 IonicContact OE1-CZ 2.9Å; E195-R435 IonicContact OE1-NE 2.99Å; E195-R435 IonicContact OE1-NH1 3.64Å; E195-R435 PolarHBondContact OE1-NH1 3.04Å; Q198-R435 HydrophobicContact CG-CG 4.33Å; Q198-R435 PolarHBondContact NE2-O 3.27Å; Q198-R435 VanDerWaalsContact OE1-CG 3.26Å; H431-R435 WeakPolarHBondContact O-CB 3.33Å; H431-R435 PolarHBondContact O-N 3.27Å; R435-F437 VanDerWaalsContact C-N 3.3Å; R435-F437 PolarHBondContact O-N 3.36Å
436	P	71.9	Confident	76.3	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.006	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-20.2	-174.5	-0.7	15.9	0	0	0	114.1	A191 A194 V433 L434	A191-P436 HydrophobicContact CB-CG 3.79Å; A194-P436 HydrophobicContact CB-CB 3.19Å; A194-P436 HydrophobicContact CB-CG 4.39Å; V433-P436 VanDerWaalsContact O-CD 3.3Å; V433-P436 WeakPolarHBondContact O-CD 3.37Å; L434-P436 VanDerWaalsContact C-N 3.31Å; L434-P436 WeakPolarHBondContact O-CD 3.48Å; L434-P436 VanDerWaalsContact O-N 3.13Å
437	F	78.8	Confident	76.1	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.009	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-13.9	-172.8	-54.3	-70.3	0	0	0	113.8	I190 G240 I241 M390 M394 L434 R435	I190-F437 HydrophobicContact CG2-CE1 4.12Å; I190-F437 HydrophobicContact CG2-CZ 3.73Å; G240-F437 CarbonylContact C-O 3.53Å; G240-F437 WeakPolarHBondContact CA-O 3.36Å; I241-F437 PolarHBondContact N-O 3.13Å; M390-F437 HydrophobicContact CE-CB 3.86Å; M390-F437 HydrophobicContact CE-CG 4.44Å; M394-F437 HydrophobicContact CE-CD1 3.76Å; M394-F437 HydrophobicContact CE-CD2 3.91Å; M394-F437 HydrophobicContact CE-CE1 3.39Å; M394-F437 HydrophobicContact CE-CE2 3.56Å; M394-F437 HydrophobicContact CE-CG 4Å; M394-F437 HydrophobicContact CE-CZ 3.28Å; M394-F437 HydrophobicContact SD-CD1 4.33Å; M394-F437 HydrophobicContact SD-CE1 3.62Å; M394-F437 HydrophobicContact SD-CZ 3.8Å; L434-F437 PolarHBondContact O-N 3.38Å; R435-F437 VanDerWaalsContact C-N 3.3Å; R435-F437 PolarHBondContact O-N 3.36Å
438	L	83.1	Confident	76.1	Confident	23 Å²	23	53.7 Å²	53.7	12%	0.12	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.7	-175.1	-173	78.5	0	0	0	110.2	I241 A243 L434 I782	I241-L438 HydrophobicContact CB-CD1 3.7Å; I241-L438 HydrophobicContact CD1-CD1 4.27Å; I241-L438 HydrophobicContact CG2-CD1 3.63Å; A243-L438 HydrophobicContact CB-CD1 3.45Å; A243-L438 VanDerWaalsContact CB-CD1 3.45Å; A243-L438 HydrophobicContact CB-CG 4.09Å; L434-L438 PolarHBondContact O-N 2.87Å; L438-I782 HydrophobicContact CD2-CG2 4.29Å
439	L	84.2	Confident	76.2	Confident	18 Å²	18	56.6 Å²	56.6	9%	0.094	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	115.6	167.4	-179	65	0	0	0	109.1	W229 I241 L242 A243	W229-L439 HydrophobicContact CB-CD2 4.27Å; W229-L439 HydrophobicContact CD2-CB 3.96Å; W229-L439 HydrophobicContact CD2-CD2 3.86Å; W229-L439 HydrophobicContact CD2-CG 4.44Å; W229-L439 HydrophobicContact CE3-CB 3.82Å; W229-L439 HydrophobicContact CE3-CD2 3.67Å; W229-L439 HydrophobicContact CE3-CG 4.38Å; W229-L439 HydrophobicContact CG-CD2 4.14Å; W229-L439 HydrophobicContact CH2-CB 3.65Å; W229-L439 HydrophobicContact CZ2-CB 3.78Å; W229-L439 HydrophobicContact CZ3-CB 3.67Å; W229-L439 HydrophobicContact CZ3-CD2 4.27Å; I241-L439 PolarHBondContact O-N 3.05Å; L242-L439 HydrophobicContact CD1-CB 4.31Å; L242-L439 HydrophobicContact CD1-CD2 3.88Å; L242-L439 HydrophobicContact CD1-CG 4.33Å; A243-L439 CarbonylContact C-O 3.55Å; A243-L439 WeakPolarHBondContact CA-O 3.28Å; A243-L439 WeakPolarHBondContact CB-O 3.44Å; A243-L439 PolarHBondContact N-O 3.49Å
440	R	84.4	Confident	76.5	Confident	49 Å²	49	50.6 Å²	50.6	19%	0.185	23%	0.234	C	C	.	.			trans	-122.9	136.3	174.4	179.2	171.9	-173.5	-164.1	-8.4	109.9	A243 E783	A243-R440 HydrophobicContact CB-CB 4.09Å; A243-R440 WeakPolarHBondContact O-CG 3.37Å; R440-E783 IonicContact CZ-OE1 3.97Å; R440-E783 VanDerWaalsContact NH1-CG 3.31Å; R440-E783 IonicContact NH1-OE1 3.06Å; R440-E783 IonicContact NH2-OE1 2.85Å; R440-E783 PolarHBondContact NH2-OE1 2.99Å
441	R	83.2	Confident	77	Confident	6 Å²	6	51.5 Å²	51.5	2%	0.023	24%	0.24	C	C	.	.			trans	-138.2	145.3	174.7	-63.5	175.2	-73.8	-162	-2.5	109.8	Y202 Y222 D244 E245 L248 V446	Y202-R441 HydrophobicContact CE1-CG 4.12Å; Y222-R441 PolarHBondContact O-NH1 3.23Å; D244-R441 VanDerWaalsContact CG-NH2 3.34Å; D244-R441 IonicContact OD1-CZ 3.24Å; D244-R441 IonicContact OD1-NE 3.72Å; D244-R441 PolarHBondContact OD1-NE 3.37Å; D244-R441 IonicContact OD1-NH2 3.88Å; D244-R441 PolarHBondContact OD1-NH2 3.42Å; D244-R441 IonicContact OD2-CZ 3.17Å; D244-R441 IonicContact OD2-NE 3.76Å; D244-R441 IonicContact OD2-NH2 3.91Å; D244-R441 PolarHBondContact OD2-NH2 3.01Å; E245-R441 PolarHBondContact N-O 3.49Å; L248-R441 HydrophobicContact CD1-CB 4.09Å; L248-R441 WeakPolarHBondContact CD1-O 3.49Å; R441-V446 HydrophobicContact CB-CG2 4.26Å
442	L	80.9	Confident	77.8	Confident	28 Å²	28	57 Å²	57	15%	0.147	26%	0.264	C	S	.	.			trans	-102.1	148.6	179.7	-58.7	174.4	0	0	0	111.2	E245 S444 E445 V446	E245-L442 WeakPolarHBondContact OE2-CA 3.45Å; L442-S444 PolarHBondContact O-N 3.32Å; L442-E445 HydrophobicContact CB-CG 4.12Å; L442-E445 PolarHBondContact N-OE2 3.3Å; L442-E445 PolarHBondContact O-N 3.24Å; L442-E445 VanDerWaalsContact O-N 3.12Å; L442-V446 PolarHBondContact O-N 3.48Å
443	K	79.1	Confident	78.6	Confident	8 Å²	8	55 Å²	55	4%	0.035	26%	0.255	C	S	.	.	H	α-helix	trans	-56.5	-37.8	174.7	-75.2	177.4	-162.7	157.8	0	111.8	E245 M246 L248 E445 V446 E447 L450 D741 H744	E245-K443 HydrophobicContact CB-CG 4.36Å; E245-K443 HydrophobicContact CG-CD 4.44Å; E245-K443 HydrophobicContact CG-CG 4.21Å; E245-K443 WeakPolarHBondContact OE1-CD 3.33Å; E245-K443 VanDerWaalsContact OE1-CE 3.26Å; E245-K443 WeakPolarHBondContact OE1-CE 3.39Å; E245-K443 IonicContact OE1-NZ 2.99Å; E245-K443 PolarHBondContact OE1-NZ 3.46Å; E245-K443 WeakPolarHBondContact OE2-CB 3.25Å; E245-K443 WeakPolarHBondContact OE2-CG 3.45Å; E245-K443 PolarHBondContact OE2-N 3.48Å; M246-K443 WeakPolarHBondContact O-CE 3.4Å; M246-K443 PolarHBondContact O-NZ 3.22Å; L248-K443 HydrophobicContact CD2-CG 4.33Å; K443-E445 PolarHBondContact O-N 3.09Å; K443-V446 PolarHBondContact O-N 3.42Å; K443-E447 PolarHBondContact O-N 2.94Å; K443-L450 HydrophobicContact CB-CD1 3.81Å; K443-L450 HydrophobicContact CD-CD1 3.98Å; K443-L450 HydrophobicContact CG-CD1 4.06Å; K443-D741 IonicContact NZ-OD1 3.11Å; K443-D741 PolarHBondContact NZ-OD1 2.96Å; K443-D741 VanDerWaalsContact NZ-OD1 3.15Å; K443-H744 PolarHBondContact NZ-O 3.49Å
444	S	74.9	Confident	79.5	Confident	77 Å²	77	57.7 Å²	57.7	54%	0.538	26%	0.264	S	S	.	.	H	α-helix	trans	-63.2	-27.5	179.7	57	0	0	0	0	113.6	L442	L442-S444 PolarHBondContact O-N 3.32Å
445	E	74.9	Confident	80.3	Confident	47 Å²	47	61.1 Å²	61.1	22%	0.22	28%	0.279	C	S	.	.	H	α-helix	trans	-82.9	-37.7	-178.9	-63.3	170.2	149.1	0	0	111.2	Y202 L442 K443	Y202-E445 HydrophobicContact CE1-CB 4.5Å; Y202-E445 HydrophobicContact CE2-CB 4.43Å; Y202-E445 PolarHBondContact OH-OE1 2.95Å; Y202-E445 PolarHBondContact OH-OE2 3.04Å; Y202-E445 VanDerWaalsContact OH-OE2 3.07Å; L442-E445 HydrophobicContact CB-CG 4.12Å; L442-E445 PolarHBondContact N-OE2 3.3Å; L442-E445 PolarHBondContact O-N 3.24Å; L442-E445 VanDerWaalsContact O-N 3.12Å; K443-E445 PolarHBondContact O-N 3.09Å
446	V	72.6	Confident	81.4	Confident	28 Å²	28	60.7 Å²	60.7	17%	0.17	28%	0.281	C	S	.	.	H	α-helix	trans	-94	-38.2	-168.3	179.8	0	0	0	0	112.4	Y222 L248 R441 L442 K443	Y222-V446 HydrophobicContact CD1-CB 4.5Å; Y222-V446 HydrophobicContact CD1-CG1 3.01Å; Y222-V446 HydrophobicContact CD2-CG1 3.78Å; Y222-V446 HydrophobicContact CE1-CG1 3.4Å; Y222-V446 HydrophobicContact CE2-CG1 4.14Å; Y222-V446 HydrophobicContact CG-CB 4.48Å; Y222-V446 HydrophobicContact CG-CG1 3.2Å; Y222-V446 HydrophobicContact CG-CG2 4.47Å; L248-V446 HydrophobicContact CD2-CB 4.27Å; L248-V446 HydrophobicContact CD2-CG1 4.29Å; R441-V446 HydrophobicContact CB-CG2 4.26Å; L442-V446 PolarHBondContact O-N 3.48Å; K443-V446 PolarHBondContact O-N 3.42Å
447	E	68.3	Low	82.4	Confident	30 Å²	30	63.9 Å²	63.9	14%	0.14	30%	0.3	C	S	.	.			trans	-126.6	84.3	-170.6	-73.5	-64.2	173	0	0	110.8	R220 K443 Q449 L450	R220-E447 IonicContact CZ-OE1 3.82Å; R220-E447 IonicContact NE-OE1 3.44Å; R220-E447 VanDerWaalsContact NH1-CD 3.3Å; R220-E447 IonicContact NH1-OE1 2.7Å; R220-E447 PolarHBondContact NH1-OE1 2.9Å; R220-E447 IonicContact NH1-OE2 2.83Å; K443-E447 PolarHBondContact O-N 2.94Å; E447-Q449 PolarHBondContact O-N 2.97Å; E447-Q449 VanDerWaalsContact O-N 3.1Å; E447-L450 HydrophobicContact CB-CD1 3.71Å; E447-L450 HydrophobicContact CB-CG 4.05Å; E447-L450 PolarHBondContact O-N 3.3Å
448	R	72.4	Confident	83.1	Confident	235 Å²	235	66.8 Å²	66.8	89%	0.887	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-11.1	175.2	-61.9	-176.7	-176.1	177.1	1.6	113.6
449	Q	77.1	Confident	83.6	Confident	178 Å²	178	70.3 Å²	70.3	83%	0.832	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-11.1	179.2	-63.7	-177.5	-3.4	0	0	113.5	E447	E447-Q449 PolarHBondContact O-N 2.97Å; E447-Q449 VanDerWaalsContact O-N 3.1Å
450	L	80	Confident	84.1	Confident	32 Å²	32	69.5 Å²	69.5	17%	0.168	33%	0.327	C	S	.	.	S	Bend	trans	-71.5	138.2	-179.8	-79.8	164.7	0	0	0	111.1	K443 E447	K443-L450 HydrophobicContact CB-CD1 3.81Å; K443-L450 HydrophobicContact CD-CD1 3.98Å; K443-L450 HydrophobicContact CG-CD1 4.06Å; E447-L450 HydrophobicContact CB-CD1 3.71Å; E447-L450 HydrophobicContact CB-CG 4.05Å; E447-L450 PolarHBondContact O-N 3.3Å
451	P	86.5	Confident	84.5	Confident	21 Å²	21	74.3 Å²	74.3	14%	0.136	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-67.5	161.4	176.8	28.1	-32.7	0	0	0	111.2	H744 Q748 R750 D751	P451-H744 PolarHBondContact O-NE2 3.24Å; P451-Q748 HydrophobicContact CG-CB 4.23Å; P451-Q748 HydrophobicContact CG-CG 3.78Å; P451-R750 WeakPolarHBondContact CB-O 3.08Å; P451-R750 WeakPolarHBondContact CG-O 3.38Å; P451-D751 WeakPolarHBondContact CB-OD1 3.29Å
452	K	88.8	Confident	85	Confident	148 Å²	148	74.9 Å²	74.9	64%	0.643	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-75.6	157.1	-178.1	-68.7	-178.3	-179.2	177.6	0	110.1	F454 D751 V752	K452-F454 HydrophobicContact CB-CE2 4.01Å; K452-F454 HydrophobicContact CB-CZ 4.02Å; K452-F454 HydrophobicContact CD-CZ 4.26Å; K452-D751 PolarHBondContact N-OD1 3.38Å; K452-D751 WeakPolarHBondContact O-CA 3.37Å; K452-V752 PolarHBondContact O-N 3.16Å
453	K	89.4	Confident	85.6	Confident	95 Å²	95	74.8 Å²	74.8	41%	0.413	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	134.6	171.3	66.1	-178.4	-177	-178.5	0	109.3	V752	K453-V752 VanDerWaalsContact CA-O 3.31Å; K453-V752 WeakPolarHBondContact CA-O 3.42Å
454	F	92.6	Very high	86.2	Confident	92 Å²	92	83.4 Å²	83.4	40%	0.404	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	128	178	-60.5	-78	0	0	0	109.5	K452 D751 V752 I754	K452-F454 HydrophobicContact CB-CE2 4.01Å; K452-F454 HydrophobicContact CB-CZ 4.02Å; K452-F454 HydrophobicContact CD-CZ 4.26Å; F454-D751 HydrophobicContact CE2-CB 4.27Å; F454-V752 PolarHBondContact N-O 2.97Å; F454-I754 WeakPolarHBondContact O-CB 3.48Å; F454-I754 PolarHBondContact O-N 3.47Å
455	E	91.9	Very high	87	Confident	83 Å²	83	82 Å²	82	39%	0.388	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	117.6	175.8	-172.1	171.3	-163.5	0	0	109.7	I754 R756 R775	E455-I754 CarbonylContact C-O 3.35Å; E455-I754 WeakPolarHBondContact CA-O 3.22Å; E455-I754 HydrophobicContact CG-CG2 4.44Å; E455-R756 IonicContact OE1-CZ 2.71Å; E455-R756 IonicContact OE1-NE 3.66Å; E455-R756 PolarHBondContact OE1-NE 3.47Å; E455-R756 IonicContact OE1-NH2 2.76Å; E455-R756 PolarHBondContact OE1-NH2 3.49Å; E455-R775 IonicContact OE2-NH1 3.8Å; E455-R775 PolarHBondContact OE2-NH1 3.25Å
456	H	93.8	Very high	87.9	Confident	74 Å²	74	79.8 Å²	79.8	34%	0.343	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	117.9	178.3	-59.1	-80.1	0	0	0	109.5	I754 Y755 R756	H456-I754 PolarHBondContact N-O 3.15Å; H456-Y755 HydrophobicContact CB-CD1 3.77Å; H456-Y755 HydrophobicContact CB-CE1 3.98Å; H456-Y755 CarbonylContact O-C 3.59Å; H456-Y755 WeakPolarHBondContact O-CA 3.3Å; H456-R756 PolarHBondContact O-N 3.37Å
457	V	93.4	Very high	89	Confident	67 Å²	67	84.2 Å²	84.2	41%	0.406	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	112.6	173.7	-179.4	0	0	0	0	108.7	M459 I758 L768	V457-M459 HydrophobicContact CG1-SD 4.19Å; V457-I758 HydrophobicContact CG1-CD1 3.59Å; V457-I758 HydrophobicContact CG1-CG1 4.22Å; V457-L768 HydrophobicContact CG1-CD2 4.31Å
458	M	94.4	Very high	90.2	Very high	63 Å²	63	90 Å²	90	31%	0.31	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	111	-180	-59.1	-60.5	-71.6	0	0	109.2	C460 V638 I642 Y755 R756 L757 I758	M458-C460 PolarHBondContact O-N 2.92Å; M458-V638 HydrophobicContact CB-CG1 4.39Å; M458-V638 HydrophobicContact CE-CG1 4.2Å; M458-I642 HydrophobicContact CE-CD1 4.5Å; M458-I642 HydrophobicContact CG-CD1 4.33Å; M458-Y755 HydrophobicContact CG-CD1 4Å; M458-Y755 HydrophobicContact SD-CD1 4.26Å; M458-R756 PolarHBondContact N-O 3.09Å; M458-L757 HydrophobicContact CB-CD2 3.74Å; M458-L757 HydrophobicContact CG-CD2 4.14Å; M458-I758 PolarHBondContact O-N 3.48Å
459	M	93.4	Very high	91.2	Very high	97 Å²	97	79.1 Å²	79.1	48%	0.478	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	118.6	175.4	-61.4	-60.2	-78.8	0	0	109.6	V457 I758 A760	V457-M459 HydrophobicContact CG1-SD 4.19Å; M459-I758 CarbonylContact C-O 3.56Å; M459-I758 WeakPolarHBondContact CA-O 3.48Å; M459-I758 HydrophobicContact SD-CB 4.23Å; M459-I758 HydrophobicContact SD-CG2 4.39Å; M459-A760 HydrophobicContact CE-CB 3.9Å
460	C	93.7	Very high	91.9	Very high	1 Å²	1	72.1 Å²	72.1	1%	0.007	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	137	179.1	-54.4	0	0	0	0	110.2	M458 K635 V638 I758 C759 A760	M458-C460 PolarHBondContact O-N 2.92Å; C460-K635 HydrophobicContact CB-CG 4.07Å; C460-V638 HydrophobicContact CB-CG2 4.41Å; C460-I758 PolarHBondContact N-O 3.23Å; C460-C759 CarbonylContact O-C 3.58Å; C460-C759 WeakPolarHBondContact O-CA 3.46Å; C460-A760 PolarHBondContact O-N 3.24Å
461	E	93.8	Very high	92.6	Very high	150 Å²	150	75 Å²	75	70%	0.701	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-83.6	145.9	172.1	-60.6	-165.6	161.4	0	0	111.2	G634	E461-G634 WeakPolarHBondContact O-CA 3.21Å
462	L	92.9	Very high	92.8	Very high	18 Å²	18	76.5 Å²	76.5	9%	0.094	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-70.4	135	171	-70.2	175.5	0	0	0	111.1	Q466 R467 C759 T762	L462-Q466 HydrophobicContact CB-CB 4.23Å; L462-Q466 HydrophobicContact CD2-CB 4.02Å; L462-R467 HydrophobicContact CB-CB 4.45Å; L462-R467 PolarHBondContact O-NH2 2.97Å; L462-C759 HydrophobicContact CD2-CB 4.24Å; L462-T762 HydrophobicContact CD1-CG2 3.49Å; L462-T762 VanDerWaalsContact CD1-CG2 3.49Å; L462-T762 HydrophobicContact CD2-CG2 4.19Å; L462-T762 HydrophobicContact CG-CG2 3.86Å
463	S	93.1	Very high	93	Very high	26 Å²	26	70.3 Å²	70.3	18%	0.182	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-60.9	158.7	170.1	179.2	0	0	0	0	111.4	R465 Q466 R467 Y631 D632	S463-R465 PolarHBondContact O-N 3.12Å; S463-Q466 PolarHBondContact O-N 3.44Å; S463-Q466 VanDerWaalsContact O-N 3.13Å; S463-R467 WeakPolarHBondContact O-CB 3.33Å; S463-R467 PolarHBondContact O-N 3.38Å; S463-Y631 PolarHBondContact OG-O 3.42Å; S463-D632 WeakPolarHBondContact CB-O 3.48Å; S463-D632 PolarHBondContact OG-O 2.7Å
464	K	92.6	Very high	93	Very high	189 Å²	189	69.1 Å²	69.1	82%	0.822	32%	0.319	S	S	*	.	H	α-helix	trans	-53.8	-43.8	177.7	-68.3	-178.7	-179.4	176.6	0	111.5	R467 Y468	K464-R467 PolarHBondContact O-N 3.08Å; K464-Y468 PolarHBondContact O-N 3.36Å
465	R	92.3	Very high	92.9	Very high	49 Å²	49	67.9 Å²	67.9	19%	0.185	32%	0.321	C	S	.	.	H	α-helix	trans	-64.2	-46.9	177.4	-174.6	177.9	178.2	-137.2	-11.3	111.7	S463 R467 Y468 L469 N506 E509 D632	S463-R465 PolarHBondContact O-N 3.12Å; R465-R467 PolarHBondContact O-N 2.91Å; R465-Y468 PolarHBondContact O-N 3.07Å; R465-L469 HydrophobicContact CG-CD1 4.37Å; R465-L469 WeakPolarHBondContact O-CG 3.36Å; R465-L469 PolarHBondContact O-N 3.4Å; R465-N506 PolarHBondContact NH1-OD1 2.77Å; R465-E509 PolarHBondContact NH2-O 2.91Å; R465-D632 IonicContact CZ-OD2 2.67Å; R465-D632 IonicContact NE-OD2 3.95Å; R465-D632 IonicContact NH1-OD2 3.85Å; R465-D632 PolarHBondContact NH1-OD2 3.05Å
466	Q	94	Very high	92.8	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61.4	-44	177.6	-68.6	177.7	-62.5	0	0	111.8	L462 S463 Y468 L469 Y470 V501 C502 P505 D632	L462-Q466 HydrophobicContact CB-CB 4.23Å; L462-Q466 HydrophobicContact CD2-CB 4.02Å; S463-Q466 PolarHBondContact O-N 3.44Å; S463-Q466 VanDerWaalsContact O-N 3.13Å; Q466-Y468 VanDerWaalsContact C-N 3.35Å; Q466-Y468 PolarHBondContact O-N 3.13Å; Q466-L469 PolarHBondContact O-N 2.92Å; Q466-Y470 WeakPolarHBondContact O-CB 3.32Å; Q466-Y470 PolarHBondContact O-N 3.01Å; Q466-V501 HydrophobicContact CB-CG1 4.44Å; Q466-V501 PolarHBondContact NE2-O 2.9Å; Q466-C502 PolarHBondContact NE2-O 3.26Å; Q466-P505 HydrophobicContact CG-CB 4.32Å; Q466-P505 HydrophobicContact CG-CG 4.12Å; Q466-D632 WeakPolarHBondContact CG-O 3.47Å
467	R	93.9	Very high	92.3	Very high	120 Å²	120	70.1 Å²	70.1	45%	0.453	34%	0.339	S	S	.	.	H	α-helix	trans	-63.2	-41.3	179.1	-172.6	174.1	-61.1	164.3	7.1	112	L462 S463 K464 R465 N471	L462-R467 HydrophobicContact CB-CB 4.45Å; L462-R467 PolarHBondContact O-NH2 2.97Å; S463-R467 WeakPolarHBondContact O-CB 3.33Å; S463-R467 PolarHBondContact O-N 3.38Å; K464-R467 PolarHBondContact O-N 3.08Å; R465-R467 PolarHBondContact O-N 2.91Å; R467-N471 WeakPolarHBondContact O-CB 3.49Å; R467-N471 VanDerWaalsContact O-CG 3.24Å; R467-N471 PolarHBondContact O-N 2.97Å; R467-N471 PolarHBondContact O-ND2 3.34Å
468	Y	93.9	Very high	91.9	Very high	151 Å²	151	69.9 Å²	69.9	59%	0.592	34%	0.34	S	S	*	.	H	α-helix	trans	-59.9	-54	174.2	175.3	-92.6	0	0	0	111.2	K464 R465 Q466 Y470 N471 E472	K464-Y468 PolarHBondContact O-N 3.36Å; R465-Y468 PolarHBondContact O-N 3.07Å; Q466-Y468 VanDerWaalsContact C-N 3.35Å; Q466-Y468 PolarHBondContact O-N 3.13Å; Y468-Y470 VanDerWaalsContact C-N 3.33Å; Y468-Y470 PolarHBondContact O-N 3.42Å; Y468-N471 PolarHBondContact O-N 3.1Å; Y468-E472 WeakPolarHBondContact CE1-OE2 3.43Å; Y468-E472 WeakPolarHBondContact O-CB 3.45Å; Y468-E472 PolarHBondContact O-N 2.8Å; Y468-E472 PolarHBondContact OH-OE2 2.95Å
469	L	93.1	Very high	91.5	Very high	8 Å²	8	67 Å²	67	4%	0.042	33%	0.326	C	S	.	.	H	α-helix	trans	-61.1	-40	179.6	-70.1	174.8	0	0	0	112.6	R465 Q466 F473 V501 P505 E509	R465-L469 HydrophobicContact CG-CD1 4.37Å; R465-L469 WeakPolarHBondContact O-CG 3.36Å; R465-L469 PolarHBondContact O-N 3.4Å; Q466-L469 PolarHBondContact O-N 2.92Å; L469-F473 VanDerWaalsContact O-CB 3.28Å; L469-F473 WeakPolarHBondContact O-CB 3.4Å; L469-F473 PolarHBondContact O-N 3.23Å; L469-V501 HydrophobicContact CB-CG1 4.23Å; L469-P505 HydrophobicContact CD1-CB 3.85Å; L469-E509 WeakPolarHBondContact CD2-OE2 3.24Å
470	Y	93.4	Very high	91.1	Very high	30 Å²	30	69.9 Å²	69.9	12%	0.118	33%	0.332	C	S	.	.	H	α-helix	trans	-62.9	-47.8	177.8	-171.1	-81.2	0	0	0	111.3	Q466 Y468 F473 M474 L498 V501 T762	Q466-Y470 WeakPolarHBondContact O-CB 3.32Å; Q466-Y470 PolarHBondContact O-N 3.01Å; Y468-Y470 VanDerWaalsContact C-N 3.33Å; Y468-Y470 PolarHBondContact O-N 3.42Å; Y470-F473 PolarHBondContact O-N 3.45Å; Y470-M474 HydrophobicContact CD1-CG 4.34Å; Y470-M474 HydrophobicContact CE1-CG 4.16Å; Y470-M474 WeakPolarHBondContact O-CG 3.49Å; Y470-M474 PolarHBondContact O-N 2.84Å; Y470-M474 VanDerWaalsContact O-N 3.08Å; Y470-L498 HydrophobicContact CD2-CD2 3.78Å; Y470-L498 HydrophobicContact CE1-CD2 4.43Å; Y470-L498 HydrophobicContact CE2-CB 4.06Å; Y470-L498 HydrophobicContact CE2-CD2 3.6Å; Y470-L498 HydrophobicContact CE2-CG 4.26Å; Y470-L498 HydrophobicContact CG-CD2 4.3Å; Y470-V501 HydrophobicContact CD2-CG1 4.45Å; Y470-T762 HydrophobicContact CE2-CG2 4.47Å
471	N	92.7	Very high	90.7	Very high	94 Å²	94	73.3 Å²	73.3	50%	0.503	36%	0.356	S	S	.	.	H	α-helix	trans	-68.6	-39.6	178.8	-72.6	-16	0	0	0	112.3	R467 Y468 M474 S475	R467-N471 WeakPolarHBondContact O-CB 3.49Å; R467-N471 VanDerWaalsContact O-CG 3.24Å; R467-N471 PolarHBondContact O-N 2.97Å; R467-N471 PolarHBondContact O-ND2 3.34Å; Y468-N471 PolarHBondContact O-N 3.1Å; N471-M474 PolarHBondContact O-N 3.25Å; N471-S475 WeakPolarHBondContact O-CB 3.04Å; N471-S475 PolarHBondContact O-N 3.41Å; N471-S475 PolarHBondContact O-OG 3.07Å
472	E	92.6	Very high	90.2	Very high	52 Å²	52	69.9 Å²	69.9	24%	0.243	34%	0.34	C	S	.	.	H	α-helix	trans	-62	-44.7	175.1	-166.8	-160.6	130.3	0	0	110.7	Y468 M474 S475 R476	Y468-E472 WeakPolarHBondContact CE1-OE2 3.43Å; Y468-E472 WeakPolarHBondContact O-CB 3.45Å; Y468-E472 PolarHBondContact O-N 2.8Å; Y468-E472 PolarHBondContact OH-OE2 2.95Å; E472-M474 VanDerWaalsContact C-N 3.31Å; E472-M474 PolarHBondContact O-N 3.21Å; E472-S475 WeakPolarHBondContact CA-OG 3.33Å; E472-S475 PolarHBondContact O-N 2.84Å; E472-S475 VanDerWaalsContact O-N 3.12Å; E472-S475 PolarHBondContact O-OG 3.29Å; E472-R476 WeakPolarHBondContact O-CG 3.33Å; E472-R476 PolarHBondContact O-N 2.97Å; E472-R476 VanDerWaalsContact O-N 3.09Å; E472-R476 IonicContact OE1-CZ 2.77Å; E472-R476 IonicContact OE1-NE 2.64Å; E472-R476 PolarHBondContact OE1-NE 2.73Å; E472-R476 IonicContact OE1-NH2 3.82Å; E472-R476 PolarHBondContact OE1-NH2 2.83Å
473	F	92	Very high	89.7	Confident	18 Å²	18	72.2 Å²	72.2	8%	0.079	35%	0.352	C	S	.	.	H	α-helix	trans	-63	-38	177.8	-174.8	-104.2	0	0	0	112.4	L469 Y470 S475 T479 I494 Q497 L498 F508	L469-F473 VanDerWaalsContact O-CB 3.28Å; L469-F473 WeakPolarHBondContact O-CB 3.4Å; L469-F473 PolarHBondContact O-N 3.23Å; Y470-F473 PolarHBondContact O-N 3.45Å; F473-S475 VanDerWaalsContact C-N 3.35Å; F473-T479 HydrophobicContact CD1-CG2 4.43Å; F473-T479 HydrophobicContact CD2-CG2 4.18Å; F473-T479 HydrophobicContact CE1-CG2 4.1Å; F473-T479 HydrophobicContact CE2-CG2 3.8Å; F473-T479 HydrophobicContact CG-CG2 4.48Å; F473-T479 HydrophobicContact CZ-CG2 3.76Å; F473-T479 WeakPolarHBondContact O-CG2 3.49Å; F473-T479 PolarHBondContact O-OG1 3.4Å; F473-I494 HydrophobicContact CE1-CG2 3.89Å; F473-Q497 HydrophobicContact CE1-CB 3.82Å; F473-Q497 HydrophobicContact CE2-CB 4.14Å; F473-Q497 HydrophobicContact CE2-CG 4.38Å; F473-Q497 HydrophobicContact CZ-CB 3.52Å; F473-Q497 HydrophobicContact CZ-CG 3.91Å; F473-L498 HydrophobicContact CD1-CD2 3.58Å; F473-L498 HydrophobicContact CD1-CG 4.18Å; F473-L498 HydrophobicContact CE1-CD2 4.1Å; F473-L498 HydrophobicContact CE1-CG 4.18Å; F473-F508 AromaticContact CD2-CE2 3.95Å; F473-F508 HydrophobicContact CD2-CE2 3.95Å; F473-F508 AromaticContact CD2-CZ 3.73Å; F473-F508 HydrophobicContact CD2-CZ 3.73Å; F473-F508 HydrophobicContact CE2-CE2 4.13Å; F473-F508 HydrophobicContact CE2-CZ 4.3Å; F473-F508 HydrophobicContact CG-CZ 4.44Å
474	M	89.6	Confident	89.1	Confident	70 Å²	70	75.2 Å²	75.2	35%	0.345	38%	0.378	S	S	.	.	H	α-helix	trans	-73.7	-22.1	174.8	-71.4	-64	-70.3	0	0	113.9	Y470 N471 E472 R480 L498	Y470-M474 HydrophobicContact CD1-CG 4.34Å; Y470-M474 HydrophobicContact CE1-CG 4.16Å; Y470-M474 WeakPolarHBondContact O-CG 3.49Å; Y470-M474 PolarHBondContact O-N 2.84Å; Y470-M474 VanDerWaalsContact O-N 3.08Å; N471-M474 PolarHBondContact O-N 3.25Å; E472-M474 VanDerWaalsContact C-N 3.31Å; E472-M474 PolarHBondContact O-N 3.21Å; M474-R480 PolarHBondContact O-NE 3.04Å; M474-L498 HydrophobicContact CG-CD2 4.21Å; M474-L498 HydrophobicContact SD-CD1 3.97Å; M474-L498 HydrophobicContact SD-CD2 4.17Å
475	S	89.9	Confident	88.5	Confident	66 Å²	66	68.7 Å²	68.7	46%	0.462	36%	0.357	S	S	.	.	H	α-helix	trans	-86.5	-21.8	178.2	74.6	0	0	0	0	113.3	N471 E472 F473 S477	N471-S475 WeakPolarHBondContact O-CB 3.04Å; N471-S475 PolarHBondContact O-N 3.41Å; N471-S475 PolarHBondContact O-OG 3.07Å; E472-S475 WeakPolarHBondContact CA-OG 3.33Å; E472-S475 PolarHBondContact O-N 2.84Å; E472-S475 VanDerWaalsContact O-N 3.12Å; E472-S475 PolarHBondContact O-OG 3.29Å; F473-S475 VanDerWaalsContact C-N 3.35Å; S475-S477 PolarHBondContact O-N 3.3Å
476	R	90	Very high	87.7	Confident	102 Å²	102	68.9 Å²	68.9	39%	0.385	37%	0.374	S	S	.	.			trans	-53.1	133.2	176	-76.4	175.9	-175.3	-172.1	1.5	111.8	E472 S478 T479 R480	E472-R476 WeakPolarHBondContact O-CG 3.33Å; E472-R476 PolarHBondContact O-N 2.97Å; E472-R476 VanDerWaalsContact O-N 3.09Å; E472-R476 IonicContact OE1-CZ 2.77Å; E472-R476 IonicContact OE1-NE 2.64Å; E472-R476 PolarHBondContact OE1-NE 2.73Å; E472-R476 IonicContact OE1-NH2 3.82Å; E472-R476 PolarHBondContact OE1-NH2 2.83Å; R476-S478 VanDerWaalsContact C-N 3.28Å; R476-S478 PolarHBondContact O-N 2.96Å; R476-T479 HydrophobicContact CB-CG2 4.28Å; R476-T479 PolarHBondContact O-N 3.19Å; R476-T479 PolarHBondContact O-OG1 3.24Å; R476-R480 PolarHBondContact O-N 3.4Å
477	S	83.3	Confident	87	Confident	101 Å²	101	73.5 Å²	73.5	71%	0.706	40%	0.398	S	S	*	.	H	α-helix	trans	-64.5	-33.4	-178.8	55.5	0	0	0	0	112.6	S475 S481	S475-S477 PolarHBondContact O-N 3.3Å; S477-S481 WeakPolarHBondContact O-CB 3.33Å; S477-S481 PolarHBondContact O-N 2.83Å; S477-S481 PolarHBondContact O-OG 2.99Å
478	S	86	Confident	86	Confident	62 Å²	62	69.5 Å²	69.5	43%	0.434	39%	0.387	S	S	.	.	H	α-helix	trans	-60.5	-46.3	176.7	58.3	0	0	0	0	112.1	R476 S481 Q482	R476-S478 VanDerWaalsContact C-N 3.28Å; R476-S478 PolarHBondContact O-N 2.96Å; S478-S481 PolarHBondContact O-N 2.74Å; S478-S481 PolarHBondContact O-OG 2.9Å; S478-Q482 WeakPolarHBondContact O-CB 3.46Å; S478-Q482 WeakPolarHBondContact O-CG 3.43Å; S478-Q482 PolarHBondContact O-N 3.04Å
479	T	84.4	Confident	85.2	Confident	4 Å²	4	67.1 Å²	67.1	3%	0.025	38%	0.383	C	S	.	.	H	α-helix	trans	-68.1	-42.9	-178.1	56.9	0	0	0	0	110.7	F473 R476 S481 Q482 L483	F473-T479 HydrophobicContact CD1-CG2 4.43Å; F473-T479 HydrophobicContact CD2-CG2 4.18Å; F473-T479 HydrophobicContact CE1-CG2 4.1Å; F473-T479 HydrophobicContact CE2-CG2 3.8Å; F473-T479 HydrophobicContact CG-CG2 4.48Å; F473-T479 HydrophobicContact CZ-CG2 3.76Å; F473-T479 WeakPolarHBondContact O-CG2 3.49Å; F473-T479 PolarHBondContact O-OG1 3.4Å; R476-T479 HydrophobicContact CB-CG2 4.28Å; R476-T479 PolarHBondContact O-N 3.19Å; R476-T479 PolarHBondContact O-OG1 3.24Å; T479-S481 PolarHBondContact O-N 2.96Å; T479-Q482 PolarHBondContact O-N 2.92Å; T479-L483 WeakPolarHBondContact O-CG 3.45Å; T479-L483 PolarHBondContact O-N 2.99Å
480	R	86.7	Confident	84.5	Confident	157 Å²	157	69.2 Å²	69.2	59%	0.592	40%	0.395	S	S	*	.	H	α-helix	trans	-59.8	-42.3	173.6	-69.3	-177.9	173.8	-167.5	-4.2	112.7	M474 R476 Q482 L483 A484	M474-R480 PolarHBondContact O-NE 3.04Å; R476-R480 PolarHBondContact O-N 3.4Å; R480-Q482 VanDerWaalsContact C-N 3.34Å; R480-Q482 PolarHBondContact O-N 3.18Å; R480-L483 PolarHBondContact O-N 2.72Å; R480-A484 WeakPolarHBondContact O-CB 3.46Å; R480-A484 PolarHBondContact O-N 3.39Å
481	S	83.8	Confident	83.9	Confident	73 Å²	73	68.4 Å²	68.4	51%	0.51	39%	0.393	S	S	.	.	H	α-helix	trans	-65.4	-37	177.1	73.9	0	0	0	0	112.7	S477 S478 T479 A484 S485	S477-S481 WeakPolarHBondContact O-CB 3.33Å; S477-S481 PolarHBondContact O-N 2.83Å; S477-S481 PolarHBondContact O-OG 2.99Å; S478-S481 PolarHBondContact O-N 2.74Å; S478-S481 PolarHBondContact O-OG 2.9Å; T479-S481 PolarHBondContact O-N 2.96Å; S481-A484 PolarHBondContact O-N 2.92Å; S481-S485 PolarHBondContact O-N 3.18Å; S481-S485 VanDerWaalsContact O-N 3.11Å
482	Q	84.2	Confident	83.3	Confident	77 Å²	77	65.6 Å²	65.6	36%	0.36	38%	0.378	S	S	.	.	H	α-helix	trans	-69.6	-39.8	176.4	-78.7	178.8	-23	0	0	111.9	S478 T479 R480 S485 N490 I494	S478-Q482 WeakPolarHBondContact O-CB 3.46Å; S478-Q482 WeakPolarHBondContact O-CG 3.43Å; S478-Q482 PolarHBondContact O-N 3.04Å; T479-Q482 PolarHBondContact O-N 2.92Å; R480-Q482 VanDerWaalsContact C-N 3.34Å; R480-Q482 PolarHBondContact O-N 3.18Å; Q482-S485 WeakPolarHBondContact O-CB 3.5Å; Q482-S485 PolarHBondContact O-N 3.05Å; Q482-S485 PolarHBondContact O-OG 2.79Å; Q482-N490 HydrophobicContact CB-CB 4.17Å; Q482-N490 HydrophobicContact CG-CB 4.47Å; Q482-I494 HydrophobicContact CB-CD1 3.81Å
483	L	81.6	Confident	82.9	Confident	68 Å²	68	64.8 Å²	64.8	36%	0.356	38%	0.383	S	S	.	.	H	α-helix	trans	-63.1	-44.8	172.6	-71.5	166.9	0	0	0	111.3	T479 R480 S485 G486 V491 I494	T479-L483 WeakPolarHBondContact O-CG 3.45Å; T479-L483 PolarHBondContact O-N 2.99Å; R480-L483 PolarHBondContact O-N 2.72Å; L483-S485 PolarHBondContact O-N 3.42Å; L483-G486 PolarHBondContact O-N 2.84Å; L483-G486 VanDerWaalsContact O-N 3.14Å; L483-V491 HydrophobicContact CD2-CG2 4.4Å; L483-I494 HydrophobicContact CD1-CD1 4.49Å; L483-I494 HydrophobicContact CD2-CD1 3.95Å; L483-I494 HydrophobicContact CD2-CG2 4.45Å; L483-I494 HydrophobicContact CG-CD1 3.73Å
484	A	82	Confident	82.7	Confident	89 Å²	89	64.2 Å²	64.2	74%	0.736	38%	0.381	S	S	*	.	H	α-helix	trans	-64	-24.4	178.1	0	0	0	0	0	113.3	R480 S481 G486	R480-A484 WeakPolarHBondContact O-CB 3.46Å; R480-A484 PolarHBondContact O-N 3.39Å; S481-A484 PolarHBondContact O-N 2.92Å; A484-G486 PolarHBondContact O-N 2.86Å
485	S	78.2	Confident	82.6	Confident	52 Å²	52	62.6 Å²	62.6	36%	0.364	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-17.8	176.5	77.3	0	0	0	0	113.8	S481 Q482 L483 N487 N490	S481-S485 PolarHBondContact O-N 3.18Å; S481-S485 VanDerWaalsContact O-N 3.11Å; Q482-S485 WeakPolarHBondContact O-CB 3.5Å; Q482-S485 PolarHBondContact O-N 3.05Å; Q482-S485 PolarHBondContact O-OG 2.79Å; L483-S485 PolarHBondContact O-N 3.42Å; S485-N487 PolarHBondContact O-N 2.88Å; S485-N487 PolarHBondContact OG-N 2.76Å; S485-N490 PolarHBondContact OG-ND2 3.39Å
486	G	75.7	Confident	82.5	Confident	53 Å²	53	61.4 Å²	61.4	55%	0.546	36%	0.361	S	S	.	.			trans	65.7	-1.3	-177.2	0	0	0	0	0	114.9	L483 A484 V488	L483-G486 PolarHBondContact O-N 2.84Å; L483-G486 VanDerWaalsContact O-N 3.14Å; A484-G486 PolarHBondContact O-N 2.86Å; G486-V488 PolarHBondContact O-N 2.97Å
487	N	79.9	Confident	82.5	Confident	97 Å²	97	59.3 Å²	59.3	52%	0.519	36%	0.356	S	S	.	.			trans	-70.2	114.4	-179.8	-75.1	-30.2	0	0	0	110.2	S485 I489 N490 V491	S485-N487 PolarHBondContact O-N 2.88Å; S485-N487 PolarHBondContact OG-N 2.76Å; N487-I489 VanDerWaalsContact C-N 3.25Å; N487-I489 PolarHBondContact O-N 2.85Å; N487-N490 HydrophobicContact CB-CB 4.45Å; N487-N490 WeakPolarHBondContact O-CB 3.31Å; N487-N490 PolarHBondContact O-N 2.9Å; N487-V491 PolarHBondContact O-N 3.47Å
488	V	72.4	Confident	82.9	Confident	35 Å²	35	54.7 Å²	54.7	21%	0.212	32%	0.323	C	S	.	.	H	α-helix	trans	-63.9	-29.8	-171.7	-172.4	0	0	0	0	113.6	G486 N490 V491 I492 A809 T813	G486-V488 PolarHBondContact O-N 2.97Å; V488-N490 VanDerWaalsContact C-N 3.28Å; V488-N490 PolarHBondContact O-N 2.89Å; V488-V491 PolarHBondContact O-N 2.82Å; V488-I492 HydrophobicContact CG1-CD1 3.9Å; V488-I492 HydrophobicContact CG1-CG1 4.17Å; V488-I492 VanDerWaalsContact O-CG1 3.3Å; V488-I492 WeakPolarHBondContact O-CG1 3.45Å; V488-I492 PolarHBondContact O-N 3.47Å; V488-A809 HydrophobicContact CG2-CB 3.73Å; V488-T813 HydrophobicContact CB-CG2 3.41Å; V488-T813 VanDerWaalsContact CB-CG2 3.41Å; V488-T813 HydrophobicContact CG1-CG2 3.23Å; V488-T813 HydrophobicContact CG2-CG2 3.53Å
489	I	77.6	Confident	83.2	Confident	101 Å²	101	52.2 Å²	52.2	52%	0.518	30%	0.304	S	S	.	.	H	α-helix	trans	-58.1	-43.6	173.8	-60	176.3	0	0	0	110.8	N487 I492 G493 V816	N487-I489 VanDerWaalsContact C-N 3.25Å; N487-I489 PolarHBondContact O-N 2.85Å; I489-I492 PolarHBondContact O-N 2.95Å; I489-G493 PolarHBondContact O-N 2.99Å; I489-G493 VanDerWaalsContact O-N 3.09Å; I489-V816 HydrophobicContact CD1-CG1 3.96Å; I489-V816 HydrophobicContact CG1-CG1 3.67Å
490	N	78.4	Confident	83.6	Confident	53 Å²	53	54.8 Å²	54.8	28%	0.283	32%	0.315	S	S	.	.	H	α-helix	trans	-68.8	-40.3	179.1	-64.9	-16.3	0	0	0	110.6	Q482 S485 N487 V488 G493 I494	Q482-N490 HydrophobicContact CB-CB 4.17Å; Q482-N490 HydrophobicContact CG-CB 4.47Å; S485-N490 PolarHBondContact OG-ND2 3.39Å; N487-N490 HydrophobicContact CB-CB 4.45Å; N487-N490 WeakPolarHBondContact O-CB 3.31Å; N487-N490 PolarHBondContact O-N 2.9Å; V488-N490 VanDerWaalsContact C-N 3.28Å; V488-N490 PolarHBondContact O-N 2.89Å; N490-G493 PolarHBondContact O-N 3.48Å; N490-I494 WeakPolarHBondContact O-CG1 3.44Å; N490-I494 PolarHBondContact O-N 2.78Å
491	V	81.4	Confident	83.9	Confident	12 Å²	12	47.3 Å²	47.3	7%	0.073	29%	0.287	C	S	.	.	H	α-helix	trans	-61.8	-45.2	177	-178.5	0	0	0	0	110.9	L483 N487 V488 G493 I494 L495 M806	L483-V491 HydrophobicContact CD2-CG2 4.4Å; N487-V491 PolarHBondContact O-N 3.47Å; V488-V491 PolarHBondContact O-N 2.82Å; V491-G493 VanDerWaalsContact C-N 3.31Å; V491-G493 PolarHBondContact O-N 2.88Å; V491-I494 PolarHBondContact O-N 3.38Å; V491-I494 VanDerWaalsContact O-N 3.16Å; V491-L495 HydrophobicContact CG1-CD1 3.82Å; V491-L495 HydrophobicContact CG1-CG 4.17Å; V491-L495 WeakPolarHBondContact O-CB 3.5Å; V491-L495 VanDerWaalsContact O-CG 3.25Å; V491-L495 WeakPolarHBondContact O-CG 3.37Å; V491-L495 PolarHBondContact O-N 2.72Å; V491-M806 HydrophobicContact CG1-CE 4.15Å; V491-M806 HydrophobicContact CG2-CE 4.5Å
492	I	79.8	Confident	84.3	Confident	36 Å²	36	43.9 Å²	43.9	19%	0.185	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-44.1	175.7	-68.2	160	0	0	0	110.7	V488 I489 I494 L495 M496 A817	V488-I492 HydrophobicContact CG1-CD1 3.9Å; V488-I492 HydrophobicContact CG1-CG1 4.17Å; V488-I492 VanDerWaalsContact O-CG1 3.3Å; V488-I492 WeakPolarHBondContact O-CG1 3.45Å; V488-I492 PolarHBondContact O-N 3.47Å; I489-I492 PolarHBondContact O-N 2.95Å; I492-I494 VanDerWaalsContact C-N 3.32Å; I492-I494 PolarHBondContact O-N 3.45Å; I492-L495 PolarHBondContact O-N 3.29Å; I492-M496 WeakPolarHBondContact O-CB 3.4Å; I492-M496 PolarHBondContact O-N 3.13Å; I492-A817 HydrophobicContact CD1-CB 3.8Å
493	G	84.9	Confident	84.7	Confident	35 Å²	35	40.2 Å²	40.2	36%	0.361	25%	0.246	S	C	.	.	H	α-helix	trans	-58	-43	175.9	0	0	0	0	0	112.6	I489 N490 V491 M496 Q497	I489-G493 PolarHBondContact O-N 2.99Å; I489-G493 VanDerWaalsContact O-N 3.09Å; N490-G493 PolarHBondContact O-N 3.48Å; V491-G493 VanDerWaalsContact C-N 3.31Å; V491-G493 PolarHBondContact O-N 2.88Å; G493-M496 PolarHBondContact O-N 3.5Å; G493-Q497 WeakPolarHBondContact O-CG 3.34Å; G493-Q497 PolarHBondContact O-N 2.8Å
494	I	87.4	Confident	85.3	Confident	5 Å²	5	37 Å²	37	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-66.3	-47.9	176.4	-68.3	172.8	0	0	0	111	F473 Q482 L483 N490 V491 I492 M496 Q497 L498	F473-I494 HydrophobicContact CE1-CG2 3.89Å; Q482-I494 HydrophobicContact CB-CD1 3.81Å; L483-I494 HydrophobicContact CD1-CD1 4.49Å; L483-I494 HydrophobicContact CD2-CD1 3.95Å; L483-I494 HydrophobicContact CD2-CG2 4.45Å; L483-I494 HydrophobicContact CG-CD1 3.73Å; N490-I494 WeakPolarHBondContact O-CG1 3.44Å; N490-I494 PolarHBondContact O-N 2.78Å; V491-I494 PolarHBondContact O-N 3.38Å; V491-I494 VanDerWaalsContact O-N 3.16Å; I492-I494 VanDerWaalsContact C-N 3.32Å; I492-I494 PolarHBondContact O-N 3.45Å; I494-M496 PolarHBondContact O-N 3.12Å; I494-Q497 PolarHBondContact O-N 3.1Å; I494-Q497 VanDerWaalsContact O-N 3.1Å; I494-L498 HydrophobicContact CG2-CD1 4.17Å; I494-L498 HydrophobicContact CG2-CG 4.5Å; I494-L498 WeakPolarHBondContact O-CG 3.46Å; I494-L498 PolarHBondContact O-N 3.48Å
495	L	87.8	Confident	85.9	Confident	37 Å²	37	32.8 Å²	32.8	19%	0.194	19%	0.194	C	C	.	.	H	α-helix	trans	-58.6	-38.7	178.1	-68.7	168.3	0	0	0	111.3	V491 I492 L498 R499 W731 V763	V491-L495 HydrophobicContact CG1-CD1 3.82Å; V491-L495 HydrophobicContact CG1-CG 4.17Å; V491-L495 WeakPolarHBondContact O-CB 3.5Å; V491-L495 VanDerWaalsContact O-CG 3.25Å; V491-L495 WeakPolarHBondContact O-CG 3.37Å; V491-L495 PolarHBondContact O-N 2.72Å; I492-L495 PolarHBondContact O-N 3.29Å; L495-L498 PolarHBondContact O-N 2.99Å; L495-R499 WeakPolarHBondContact O-CG 3.12Å; L495-R499 PolarHBondContact O-N 2.83Å; L495-W731 HydrophobicContact CB-CZ2 4.43Å; L495-W731 HydrophobicContact CD1-CH2 4.01Å; L495-V763 HydrophobicContact CD2-CB 4.41Å; L495-V763 HydrophobicContact CD2-CG1 3.44Å; L495-V763 VanDerWaalsContact CD2-CG1 3.44Å; L495-V763 HydrophobicContact CD2-CG2 4Å
496	M	87.2	Confident	86.4	Confident	41 Å²	41	32.2 Å²	32.2	20%	0.202	19%	0.187	C	C	.	.	H	α-helix	trans	-62.8	-41.7	176.1	-171.8	61.6	72.5	0	0	112	I492 G493 I494 R499 K500 M659	I492-M496 WeakPolarHBondContact O-CB 3.4Å; I492-M496 PolarHBondContact O-N 3.13Å; G493-M496 PolarHBondContact O-N 3.5Å; I494-M496 PolarHBondContact O-N 3.12Å; M496-R499 PolarHBondContact O-N 2.69Å; M496-K500 WeakPolarHBondContact O-CG 3.49Å; M496-K500 PolarHBondContact O-N 2.67Å; M496-M659 HydrophobicContact SD-CE 3.78Å
497	Q	89.7	Confident	87.1	Confident	58 Å²	58	30.4 Å²	30.4	27%	0.271	17%	0.165	S	C	.	.	H	α-helix	trans	-67.4	-41.2	176.1	-63.4	-61.9	-19.9	0	0	111.9	F473 G493 I494 R499 K500 V501 F508	F473-Q497 HydrophobicContact CE1-CB 3.82Å; F473-Q497 HydrophobicContact CE2-CB 4.14Å; F473-Q497 HydrophobicContact CE2-CG 4.38Å; F473-Q497 HydrophobicContact CZ-CB 3.52Å; F473-Q497 HydrophobicContact CZ-CG 3.91Å; G493-Q497 WeakPolarHBondContact O-CG 3.34Å; G493-Q497 PolarHBondContact O-N 2.8Å; I494-Q497 PolarHBondContact O-N 3.1Å; I494-Q497 VanDerWaalsContact O-N 3.1Å; Q497-R499 VanDerWaalsContact C-N 3.31Å; Q497-R499 PolarHBondContact O-N 2.82Å; Q497-K500 WeakPolarHBondContact O-CB 3.42Å; Q497-K500 PolarHBondContact O-N 2.78Å; Q497-K500 VanDerWaalsContact O-N 3.13Å; Q497-V501 WeakPolarHBondContact O-CG2 3.38Å; Q497-V501 PolarHBondContact O-N 3.28Å; Q497-V501 VanDerWaalsContact O-N 3.07Å; Q497-F508 HydrophobicContact CB-CE2 4.4Å
498	L	91.8	Very high	87.4	Confident	4 Å²	4	28 Å²	28	2%	0.021	15%	0.15	C	C	.	.	H	α-helix	trans	-60.7	-41.5	174.6	-66.3	176.2	0	0	0	111.4	Y470 F473 M474 I494 L495 K500 V501 C502 V763	Y470-L498 HydrophobicContact CD2-CD2 3.78Å; Y470-L498 HydrophobicContact CE1-CD2 4.43Å; Y470-L498 HydrophobicContact CE2-CB 4.06Å; Y470-L498 HydrophobicContact CE2-CD2 3.6Å; Y470-L498 HydrophobicContact CE2-CG 4.26Å; Y470-L498 HydrophobicContact CG-CD2 4.3Å; F473-L498 HydrophobicContact CD1-CD2 3.58Å; F473-L498 HydrophobicContact CD1-CG 4.18Å; F473-L498 HydrophobicContact CE1-CD2 4.1Å; F473-L498 HydrophobicContact CE1-CG 4.18Å; M474-L498 HydrophobicContact CG-CD2 4.21Å; M474-L498 HydrophobicContact SD-CD1 3.97Å; M474-L498 HydrophobicContact SD-CD2 4.17Å; I494-L498 HydrophobicContact CG2-CD1 4.17Å; I494-L498 HydrophobicContact CG2-CG 4.5Å; I494-L498 WeakPolarHBondContact O-CG 3.46Å; I494-L498 PolarHBondContact O-N 3.48Å; L495-L498 PolarHBondContact O-N 2.99Å; L498-K500 PolarHBondContact O-N 3.09Å; L498-V501 PolarHBondContact O-N 3.09Å; L498-C502 PolarHBondContact O-N 3.02Å; L498-C502 PolarHBondContact O-SG 3.45Å; L498-V763 HydrophobicContact CB-CG2 4.32Å; L498-V763 HydrophobicContact CD1-CG2 3.62Å
499	R	91.9	Very high	88.1	Confident	9 Å²	9	30.9 Å²	30.9	3%	0.034	16%	0.161	C	C	.	.	H	α-helix	trans	-61.3	-40.5	172.7	-74.7	-178	66.1	153.1	5.2	112.6	L495 M496 Q497 V501 C502 N503 M659 D728 S729 I767	L495-R499 WeakPolarHBondContact O-CG 3.12Å; L495-R499 PolarHBondContact O-N 2.83Å; M496-R499 PolarHBondContact O-N 2.69Å; Q497-R499 VanDerWaalsContact C-N 3.31Å; Q497-R499 PolarHBondContact O-N 2.82Å; R499-V501 VanDerWaalsContact C-N 3.32Å; R499-V501 PolarHBondContact O-N 2.97Å; R499-C502 PolarHBondContact O-N 3.31Å; R499-N503 WeakPolarHBondContact O-CB 3.05Å; R499-N503 PolarHBondContact O-N 2.93Å; R499-M659 HydrophobicContact CB-CE 3.78Å; R499-D728 IonicContact NH2-OD2 2.93Å; R499-S729 PolarHBondContact NH1-O 2.77Å; R499-S729 PolarHBondContact NH2-O 3.47Å; R499-I767 HydrophobicContact CG-CD1 4.28Å
500	K	92.5	Very high	88.5	Confident	59 Å²	59	30.2 Å²	30.2	26%	0.257	16%	0.163	S	C	.	.	H	α-helix	trans	-58.7	-45.2	175.5	-73.9	173	-178.4	177.6	0	110.9	M496 Q497 L498 N503 H504 L507 M659	M496-K500 WeakPolarHBondContact O-CG 3.49Å; M496-K500 PolarHBondContact O-N 2.67Å; Q497-K500 WeakPolarHBondContact O-CB 3.42Å; Q497-K500 PolarHBondContact O-N 2.78Å; Q497-K500 VanDerWaalsContact O-N 3.13Å; L498-K500 PolarHBondContact O-N 3.09Å; K500-N503 PolarHBondContact O-N 3.49Å; K500-H504 CarbonylContact O-C 3.59Å; K500-H504 PolarHBondContact O-N 3.04Å; K500-L507 HydrophobicContact CB-CB 4.13Å; K500-L507 HydrophobicContact CG-CB 4.45Å; K500-M659 HydrophobicContact CB-CE 4.48Å; K500-M659 HydrophobicContact CB-SD 4.5Å; K500-M659 HydrophobicContact CG-CE 3.66Å; K500-M659 HydrophobicContact CG-SD 3.64Å
501	V	93	Very high	88.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.5	-43.3	177.6	177.9	0	0	0	0	111.9	Q466 L469 Y470 Q497 L498 R499 F508	Q466-V501 HydrophobicContact CB-CG1 4.44Å; Q466-V501 PolarHBondContact NE2-O 2.9Å; L469-V501 HydrophobicContact CB-CG1 4.23Å; Y470-V501 HydrophobicContact CD2-CG1 4.45Å; Q497-V501 WeakPolarHBondContact O-CG2 3.38Å; Q497-V501 PolarHBondContact O-N 3.28Å; Q497-V501 VanDerWaalsContact O-N 3.07Å; L498-V501 PolarHBondContact O-N 3.09Å; R499-V501 VanDerWaalsContact C-N 3.32Å; R499-V501 PolarHBondContact O-N 2.97Å; V501-F508 HydrophobicContact CG2-CB 3.83Å; V501-F508 HydrophobicContact CG2-CD1 4.19Å; V501-F508 HydrophobicContact CG2-CD2 4.05Å; V501-F508 HydrophobicContact CG2-CG 3.76Å
502	C	93.2	Very high	88.8	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.007	19%	0.191	C	C	.	.	H	α-helix	trans	-63.2	-38.6	176.6	-69	0	0	0	0	112.7	Q466 L498 R499 C759 E764	Q466-C502 PolarHBondContact NE2-O 3.26Å; L498-C502 PolarHBondContact O-N 3.02Å; L498-C502 PolarHBondContact O-SG 3.45Å; R499-C502 PolarHBondContact O-N 3.31Å; C502-C759 HydrophobicContact CB-CB 4.42Å; C502-E764 HydrophobicContact CB-CG 4.21Å
503	N	92.9	Very high	88.9	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-68.8	-63.5	175.5	-78.4	-9.1	0	0	0	111	R499 K500 L507 C633 K635 M662 Y727 D728	R499-N503 WeakPolarHBondContact O-CB 3.05Å; R499-N503 PolarHBondContact O-N 2.93Å; K500-N503 PolarHBondContact O-N 3.49Å; N503-L507 HydrophobicContact CB-CD1 4Å; N503-C633 PolarHBondContact O-SG 3.39Å; N503-K635 PolarHBondContact OD1-NZ 3.07Å; N503-M662 HydrophobicContact CB-SD 4.36Å; N503-Y727 HydrophobicContact CB-CE1 3.97Å; N503-Y727 PolarHBondContact O-OH 3.47Å; N503-D728 PolarHBondContact ND2-OD2 3.06Å
504	H	94	Very high	88.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.			trans	-158.1	133.7	177.2	-168.6	-86	0	0	0	111.5	K500 N506 L507 I629 M662 I665	K500-H504 CarbonylContact O-C 3.59Å; K500-H504 PolarHBondContact O-N 3.04Å; H504-N506 VanDerWaalsContact C-N 3.27Å; H504-N506 PolarHBondContact CE1-ND2 2.89Å; H504-N506 VanDerWaalsContact ND1-CB 3.33Å; H504-N506 WeakPolarHBondContact ND1-CB 3.4Å; H504-N506 PolarHBondContact ND1-N 2.71Å; H504-N506 PolarHBondContact O-N 3.02Å; H504-L507 HydrophobicContact CB-CD1 4.22Å; H504-L507 HydrophobicContact CB-CG 4.25Å; H504-L507 WeakPolarHBondContact O-CB 3.08Å; H504-L507 PolarHBondContact O-N 3.22Å; H504-I629 PolarHBondContact NE2-O 3.45Å; H504-M662 HydrophobicContact CB-CE 4.45Å; H504-M662 HydrophobicContact CB-SD 3.97Å; H504-I665 HydrophobicContact CB-CD1 3.99Å
505	P	93.6	Very high	88.5	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.1	-33.7	-176.6	22.5	-32.1	0	0	0	113.3	Q466 L469 L507 F508 E509 D632	Q466-P505 HydrophobicContact CG-CB 4.32Å; Q466-P505 HydrophobicContact CG-CG 4.12Å; L469-P505 HydrophobicContact CD1-CB 3.85Å; P505-L507 PolarHBondContact O-N 3.28Å; P505-F508 PolarHBondContact O-N 3Å; P505-E509 PolarHBondContact O-N 2.77Å; P505-D632 HydrophobicContact CG-CB 3.91Å
506	N	90.5	Very high	88.2	Confident	41 Å²	41	42.3 Å²	42.3	22%	0.219	23%	0.229	C	C	.	.	H	α-helix	trans	-65.7	-16.8	177.6	-62.4	-5.2	0	0	0	114.5	R465 H504 F508 E509	R465-N506 PolarHBondContact NH1-OD1 2.77Å; H504-N506 VanDerWaalsContact C-N 3.27Å; H504-N506 PolarHBondContact CE1-ND2 2.89Å; H504-N506 VanDerWaalsContact ND1-CB 3.33Å; H504-N506 WeakPolarHBondContact ND1-CB 3.4Å; H504-N506 PolarHBondContact ND1-N 2.71Å; H504-N506 PolarHBondContact O-N 3.02Å; N506-F508 VanDerWaalsContact C-N 3.25Å; N506-E509 WeakPolarHBondContact CA-O 3.38Å
507	L	88.8	Confident	88	Confident	15 Å²	15	46.9 Å²	46.9	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-71.5	-26	172.2	-68	173	0	0	0	112.1	K500 N503 H504 P505 M659 R661 M662 I665	K500-L507 HydrophobicContact CB-CB 4.13Å; K500-L507 HydrophobicContact CG-CB 4.45Å; N503-L507 HydrophobicContact CB-CD1 4Å; H504-L507 HydrophobicContact CB-CD1 4.22Å; H504-L507 HydrophobicContact CB-CG 4.25Å; H504-L507 WeakPolarHBondContact O-CB 3.08Å; H504-L507 PolarHBondContact O-N 3.22Å; P505-L507 PolarHBondContact O-N 3.28Å; L507-M659 HydrophobicContact CD1-SD 4.11Å; L507-R661 HydrophobicContact CD2-CB 3.61Å; L507-M662 HydrophobicContact CD1-CB 4.31Å; L507-M662 HydrophobicContact CD1-SD 3.95Å; L507-I665 HydrophobicContact CD1-CD1 4.42Å; L507-I665 HydrophobicContact CD2-CD1 3.55Å; L507-I665 HydrophobicContact CG-CD1 3.6Å
508	F	86.2	Confident	87.6	Confident	47 Å²	47	51.7 Å²	51.7	21%	0.206	26%	0.264	C	S	.	.	H	α-helix	trans	-94.1	-54.6	177.2	-175.7	-102.9	0	0	0	110.4	F473 Q497 V501 P505 N506	F473-F508 AromaticContact CD2-CE2 3.95Å; F473-F508 HydrophobicContact CD2-CE2 3.95Å; F473-F508 AromaticContact CD2-CZ 3.73Å; F473-F508 HydrophobicContact CD2-CZ 3.73Å; F473-F508 HydrophobicContact CE2-CE2 4.13Å; F473-F508 HydrophobicContact CE2-CZ 4.3Å; F473-F508 HydrophobicContact CG-CZ 4.44Å; Q497-F508 HydrophobicContact CB-CE2 4.4Å; V501-F508 HydrophobicContact CG2-CB 3.83Å; V501-F508 HydrophobicContact CG2-CD1 4.19Å; V501-F508 HydrophobicContact CG2-CD2 4.05Å; V501-F508 HydrophobicContact CG2-CG 3.76Å; P505-F508 PolarHBondContact O-N 3Å; N506-F508 VanDerWaalsContact C-N 3.25Å
509	E	87.5	Confident	87	Confident	94 Å²	94	55.7 Å²	55.7	44%	0.439	28%	0.284	S	S	.	.	S	Bend	trans	-141.3	106.9	-178.8	-171.3	170.7	-173.8	0	0	110	R465 L469 P505 N506	R465-E509 PolarHBondContact NH2-O 2.91Å; L469-E509 WeakPolarHBondContact CD2-OE2 3.24Å; P505-E509 PolarHBondContact O-N 2.77Å; N506-E509 WeakPolarHBondContact CA-O 3.38Å
510	P	86.9	Confident	86.2	Confident	87 Å²	87	59.3 Å²	59.3	57%	0.565	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-66.3	148	177.1	28.9	-33.7	0	0	0	110.4	P512	P510-P512 WeakPolarHBondContact O-CD 3.41Å
511	R	82.9	Confident	85.3	Confident	95 Å²	95	57.9 Å²	57.9	36%	0.358	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-68.8	121.4	176.5	-174.1	174.5	-73.9	-96.4	8.3	109.1	P624 D632	R511-P624 HydrophobicContact CB-CB 4.48Å; R511-P624 HydrophobicContact CG-CB 4.18Å; R511-D632 IonicContact CZ-OD2 3.13Å; R511-D632 IonicContact NE-OD2 3.59Å; R511-D632 PolarHBondContact NE-OD2 3.38Å; R511-D632 IonicContact NH2-OD1 3.53Å; R511-D632 PolarHBondContact NH2-OD1 2.85Å; R511-D632 IonicContact NH2-OD2 2.9Å; R511-D632 PolarHBondContact NH2-OD2 3.27Å
512	P	82.1	Confident	84.5	Confident	90 Å²	90	64 Å²	64	58%	0.584	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-71.2	155	177.1	30.2	-34.5	0	0	0	110.8	P510	P510-P512 WeakPolarHBondContact O-CD 3.41Å
513	V	83.3	Confident	83.5	Confident	76 Å²	76	67.8 Å²	67.8	46%	0.461	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-73	126.8	165.3	-179	0	0	0	0	107.3	F623	V513-F623 HydrophobicContact CG1-CD1 4.07Å; V513-F623 HydrophobicContact CG1-CE1 4.04Å; V513-F623 HydrophobicContact CG2-CD1 4.23Å; V513-F623 HydrophobicContact CG2-CE1 4.47Å
514	V	81	Confident	82.5	Confident	71 Å²	71	76.7 Å²	76.7	43%	0.43	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-96.1	124.8	-177.3	-177.1	0	0	0	0	109.2	L622	V514-L622 HydrophobicContact CB-CB 4.21Å; V514-L622 PolarHBondContact N-O 3.37Å; V514-L622 PolarHBondContact O-N 2.99Å
515	S	81.6	Confident	81.4	Confident	74 Å²	74	86.4 Å²	86.4	52%	0.517	44%	0.436	S	S	.	.			trans	-116.8	152.3	170.4	60	0	0	0	0	110.2	L621	S515-L621 VanDerWaalsContact CB-CD2 3.46Å
516	P	82.1	Confident	80.1	Confident	26 Å²	26	88.1 Å²	88.1	17%	0.169	45%	0.446	C	S	.	.			trans	-60.2	143.7	170.8	27.2	-35	0	0	0	109.7	W518 I571 P572 S620	P516-W518 PolarHBondContact O-N 2.84Å; P516-W518 VanDerWaalsContact O-N 3.14Å; P516-I571 HydrophobicContact CB-CG2 4.09Å; P516-I571 HydrophobicContact CG-CG2 4.34Å; P516-P572 WeakPolarHBondContact CB-O 3.41Å; P516-S620 WeakPolarHBondContact CD-O 3.49Å
517	F	82.5	Confident	79.1	Confident	137 Å²	137	89.9 Å²	89.9	60%	0.601	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.4	114.9	173.7	-179.7	-107.1	0	0	0	109.5	M519 G573 V574 S575	F517-M519 HydrophobicContact CD1-CG 3.69Å; F517-M519 HydrophobicContact CD1-SD 4.47Å; F517-M519 HydrophobicContact CE1-CG 3.56Å; F517-M519 HydrophobicContact CE1-SD 4.39Å; F517-M519 PolarHBondContact O-N 3.37Å; F517-G573 WeakPolarHBondContact CB-O 3.28Å; F517-G573 PolarHBondContact N-O 2.73Å; F517-G573 VanDerWaalsContact N-O 3.09Å; F517-V574 HydrophobicContact CB-CG2 4.43Å; F517-V574 HydrophobicContact CD1-CG2 4.5Å; F517-V574 CarbonylContact O-C 3.47Å; F517-V574 WeakPolarHBondContact O-CA 3.37Å; F517-S575 PolarHBondContact O-N 2.71Å
518	W	81.7	Confident	78	Confident	160 Å²	160	89.5 Å²	89.5	61%	0.606	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	116.9	-179.4	-170.1	87.2	0	0	0	110.6	P516 P520 S575 T577	P516-W518 PolarHBondContact O-N 2.84Å; P516-W518 VanDerWaalsContact O-N 3.14Å; W518-P520 HydrophobicContact CH2-CB 4.35Å; W518-P520 HydrophobicContact CZ3-CB 4.1Å; W518-S575 CarbonylContact C-O 3.6Å; W518-S575 WeakPolarHBondContact CA-O 3.31Å; W518-T577 HydrophobicContact CZ2-CG2 3.8Å
519	M	79	Confident	77	Confident	87 Å²	87	93.2 Å²	93.2	43%	0.429	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	137.7	172.9	-74	-173.2	65.9	0	0	110.5	F517 V574 S575	F517-M519 HydrophobicContact CD1-CG 3.69Å; F517-M519 HydrophobicContact CD1-SD 4.47Å; F517-M519 HydrophobicContact CE1-CG 3.56Å; F517-M519 HydrophobicContact CE1-SD 4.39Å; F517-M519 PolarHBondContact O-N 3.37Å; M519-V574 HydrophobicContact CB-CG1 4.37Å; M519-V574 HydrophobicContact CG-CG1 3.76Å; M519-V574 HydrophobicContact SD-CG1 3.55Å; M519-V574 VanDerWaalsContact SD-CG1 3.55Å; M519-S575 PolarHBondContact N-O 3.05Å
520	P	76.1	Confident	75.8	Confident	86 Å²	86	92.3 Å²	92.3	56%	0.558	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-64.7	146.9	173.8	27.8	-33.4	0	0	0	110.8	W518 I522	W518-P520 HydrophobicContact CH2-CB 4.35Å; W518-P520 HydrophobicContact CZ3-CB 4.1Å; P520-I522 PolarHBondContact O-N 3.48Å
521	A	73.4	Confident	74.4	Confident	29 Å²	29	89.7 Å²	89.7	24%	0.24	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-52.1	139.5	175.1	0	0	0	0	0	111.7	S523 T577 R578	A521-S523 PolarHBondContact O-N 3.04Å; A521-T577 WeakPolarHBondContact CB-OG1 3.14Å; A521-T577 PolarHBondContact N-OG1 3.36Å; A521-R578 WeakPolarHBondContact CB-O 3.36Å
522	I	75.4	Confident	73.2	Confident	129 Å²	129	89.6 Å²	89.6	66%	0.662	47%	0.474	S	S	*	.			trans	-73.5	114.7	166.6	-59	173.2	0	0	0	107.1	P520 V579	P520-I522 PolarHBondContact O-N 3.48Å; I522-V579 WeakPolarHBondContact O-CG1 3.27Å
523	S	71.8	Confident	71.9	Confident	80 Å²	80	90.9 Å²	90.9	56%	0.559	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	123.2	174.7	63.2	0	0	0	0	110.5	A521 E580	A521-S523 PolarHBondContact O-N 3.04Å; S523-E580 WeakPolarHBondContact CA-O 3.16Å
524	W	72.5	Confident	70.5	Confident	186 Å²	186	89.2 Å²	89.2	71%	0.705	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	119.4	170.4	-176.1	6.2	0	0	0	109.6	E580 P581 V582	W524-E580 PolarHBondContact N-O 3.39Å; W524-P581 WeakPolarHBondContact O-CA 3.31Å; W524-V582 PolarHBondContact O-N 3.4Å
525	R	70	Confident	69.2	Low	205 Å²	205	90.6 Å²	90.6	77%	0.774	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	125.2	173.4	-75.9	-176.4	-166.7	170.3	4.6	111.4	V582	R525-V582 WeakPolarHBondContact CA-O 3.23Å; R525-V582 HydrophobicContact CG-CB 4.09Å; R525-V582 HydrophobicContact CG-CG1 4.27Å
526	V	67.5	Low	67.4	Low	35 Å²	35	90.1 Å²	90.1	21%	0.212	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.9	176	-174.1	0	0	0	0	108.7	G528 C530 P581 V582	V526-G528 PolarHBondContact O-N 3.32Å; V526-C530 HydrophobicContact CG1-CB 4.03Å; V526-P581 HydrophobicContact CG2-CB 4.25Å; V526-V582 PolarHBondContact N-O 2.94Å
527	P	69	Low	65.8	Low	79 Å²	79	93.1 Å²	93.1	51%	0.513	51%	0.507	S	S	.	.			trans	-60.7	133.8	173.2	-20.7	32.3	0	0	0	110.7	L529 C530	P527-L529 PolarHBondContact O-N 2.9Å; P527-L529 VanDerWaalsContact O-N 3.09Å; P527-C530 WeakPolarHBondContact O-CB 3.36Å; P527-C530 PolarHBondContact O-N 3.26Å
528	G	65.1	Low	64.2	Low	7 Å²	7	91.1 Å²	91.1	7%	0.072	51%	0.506	C	S	.	.	H	α-helix	trans	-51.6	-36.9	-177.4	0	0	0	0	0	114.3	V526 C530 C531 D532 S584	V526-G528 PolarHBondContact O-N 3.32Å; G528-C530 PolarHBondContact O-N 2.85Å; G528-C531 WeakPolarHBondContact O-CB 3.19Å; G528-C531 PolarHBondContact O-N 3.07Å; G528-D532 PolarHBondContact O-N 2.96Å; G528-D532 VanDerWaalsContact O-N 3.14Å; G528-S584 PolarHBondContact N-OG 3.24Å
529	L	65.6	Low	62.3	Low	125 Å²	125	86.8 Å²	86.8	65%	0.654	51%	0.511	S	S	*	.	H	α-helix	trans	-58.7	-33.3	177.8	-155.5	89.8	0	0	0	113.3	P527 L533	P527-L529 PolarHBondContact O-N 2.9Å; P527-L529 VanDerWaalsContact O-N 3.09Å; L529-L533 HydrophobicContact CD2-CD1 3.88Å; L529-L533 HydrophobicContact CG-CD1 3.99Å; L529-L533 WeakPolarHBondContact O-CB 3.35Å; L529-L533 WeakPolarHBondContact O-CD1 3.15Å; L529-L533 VanDerWaalsContact O-CG 3.26Å; L529-L533 WeakPolarHBondContact O-CG 3.19Å; L529-L533 PolarHBondContact O-N 3.04Å
530	C	62.4	Low	60.3	Low	74 Å²	74	92 Å²	92	50%	0.5	53%	0.531	S	S	.	.	H	α-helix	trans	-72.7	-31.7	178.5	-68	0	0	0	0	112.2	V526 P527 G528 G534	V526-C530 HydrophobicContact CG1-CB 4.03Å; P527-C530 WeakPolarHBondContact O-CB 3.36Å; P527-C530 PolarHBondContact O-N 3.26Å; G528-C530 PolarHBondContact O-N 2.85Å; C530-G534 PolarHBondContact O-N 3.21Å; C530-G534 VanDerWaalsContact O-N 3.11Å
531	C	58.3	Low	58.4	Low	33 Å²	33	92.7 Å²	92.7	22%	0.223	53%	0.533	C	S	.	.	H	α-helix	trans	-69.3	-44.1	174	-71.2	0	0	0	0	110.6	G528 G534 L535 I583	G528-C531 WeakPolarHBondContact O-CB 3.19Å; G528-C531 PolarHBondContact O-N 3.07Å; C531-G534 PolarHBondContact O-N 3.48Å; C531-L535 WeakPolarHBondContact O-CG 3.41Å; C531-L535 PolarHBondContact O-N 2.86Å; C531-I583 HydrophobicContact CB-CD1 4.4Å; C531-I583 VanDerWaalsContact SG-CD1 3.56Å
532	D	56.7	Low	56.6	Low	92 Å²	92	100.1 Å²	100.1	49%	0.492	56%	0.563	S	S	.	*	H	α-helix	trans	-65.9	-41.8	179.1	-62.8	-20.5	0	0	0	112.4	G528 G534 G536	G528-D532 PolarHBondContact O-N 2.96Å; G528-D532 VanDerWaalsContact O-N 3.14Å; D532-G534 VanDerWaalsContact C-N 3.34Å; D532-G534 PolarHBondContact O-N 2.99Å; D532-G536 PolarHBondContact O-N 3.4Å
533	L	55.8	Low	54.8	Low	117 Å²	117	102.9 Å²	102.9	61%	0.613	57%	0.573	S	S	*	*	H	α-helix	trans	-70.2	-29.2	177.4	-74.1	165.5	0	0	0	112.8	L529	L529-L533 HydrophobicContact CD2-CD1 3.88Å; L529-L533 HydrophobicContact CG-CD1 3.99Å; L529-L533 WeakPolarHBondContact O-CB 3.35Å; L529-L533 WeakPolarHBondContact O-CD1 3.15Å; L529-L533 VanDerWaalsContact O-CG 3.26Å; L529-L533 WeakPolarHBondContact O-CG 3.19Å; L529-L533 PolarHBondContact O-N 3.04Å
534	G	53.8	Low	53	Low	42 Å²	42	104.5 Å²	104.5	43%	0.433	58%	0.579	S	S	.	*	H	α-helix	trans	-74.4	-42.2	176.7	0	0	0	0	0	112.7	C530 C531 D532 G536 S537	C530-G534 PolarHBondContact O-N 3.21Å; C530-G534 VanDerWaalsContact O-N 3.11Å; C531-G534 PolarHBondContact O-N 3.48Å; D532-G534 VanDerWaalsContact C-N 3.34Å; D532-G534 PolarHBondContact O-N 2.99Å; G534-G536 VanDerWaalsContact C-N 3.33Å; G534-G536 PolarHBondContact O-N 3.48Å; G534-S537 PolarHBondContact O-N 2.81Å
535	L	52.2	Low	51.1	Low	100 Å²	100	105.4 Å²	105.4	52%	0.524	59%	0.591	S	S	.	*	H	α-helix	trans	-68.3	-31.7	178.1	-75.8	160.1	0	0	0	112.2	C531 S537 V538	C531-L535 WeakPolarHBondContact O-CG 3.41Å; C531-L535 PolarHBondContact O-N 2.86Å; L535-S537 PolarHBondContact O-N 2.77Å; L535-V538 WeakPolarHBondContact O-CB 3.46Å; L535-V538 PolarHBondContact O-N 3.14Å; L535-V538 VanDerWaalsContact O-N 3.12Å
536	G	45.6	Very low	49.3	Very low	63 Å²	63	100 Å²	100	65%	0.649	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-21.9	173.7	0	0	0	0	0	115.1	D532 G534	D532-G536 PolarHBondContact O-N 3.4Å; G534-G536 VanDerWaalsContact C-N 3.33Å; G534-G536 PolarHBondContact O-N 3.48Å
537	S	47.6	Very low	47.5	Very low	90 Å²	90	105.4 Å²	105.4	63%	0.629	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-11	175.8	-63.5	0	0	0	0	113.7	G534 L535 G539	G534-S537 PolarHBondContact O-N 2.81Å; L535-S537 PolarHBondContact O-N 2.77Å; S537-G539 VanDerWaalsContact C-N 3.28Å; S537-G539 PolarHBondContact O-N 2.78Å
538	V	48.9	Very low	45.8	Very low	94 Å²	94	112.9 Å²	112.9	57%	0.57	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-77.4	-16.6	-179.4	-173.5	0	0	0	0	111.7	L535 K540 V541	L535-V538 WeakPolarHBondContact O-CB 3.46Å; L535-V538 PolarHBondContact O-N 3.14Å; L535-V538 VanDerWaalsContact O-N 3.12Å; V538-K540 PolarHBondContact O-N 2.83Å; V538-V541 PolarHBondContact O-N 2.77Å
539	G	41.4	Very low	44.1	Very low	69 Å²	69	121.4 Å²	121.4	71%	0.711	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-67.7	0.9	173.7	0	0	0	0	0	116.2	S537	S537-G539 VanDerWaalsContact C-N 3.28Å; S537-G539 PolarHBondContact O-N 2.78Å
540	K	37.5	Very low	42.3	Very low	197 Å²	197	121.2 Å²	121.2	86%	0.857	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-113.9	9.3	174.7	-81.4	-175	177.2	177.3	0	114.6	V538 Q542	V538-K540 PolarHBondContact O-N 2.83Å; K540-Q542 PolarHBondContact O-N 3.12Å
541	V	36.2	Very low	40.7	Very low	100 Å²	100	121.8 Å²	121.8	61%	0.606	69%	0.694	S	S	*	*			trans	-102	64.9	175.4	-167.2	0	0	0	0	110	V538	V538-V541 PolarHBondContact O-N 2.77Å
542	Q	36.4	Very low	39.4	Very low	186 Å²	186	130.8 Å²	130.8	87%	0.869	73%	0.725	S	S	*	*			trans	-100.2	19.7	170.6	-102.5	-175.1	-13.9	0	0	112.7	K540	K540-Q542 PolarHBondContact O-N 3.12Å
543	Q	35.7	Very low	38.2	Very low	187 Å²	187	133 Å²	133	87%	0.874	74%	0.741	S	S	*	*	S	Bend	trans	-140.3	26.8	-173.2	-84.9	-172.9	-18.4	0	0	116.2
544	V	34.3	Very low	37.1	Very low	113 Å²	113	134.1 Å²	134.1	69%	0.685	75%	0.753	S	S	*	*			trans	-130.9	54.6	170	-163.1	0	0	0	0	111.2
545	E	32.7	Very low	36.3	Very low	205 Å²	205	135 Å²	135	96%	0.958	76%	0.763	S	S	*	*			trans	-98.1	18.2	170	-96.6	-175.9	162.5	0	0	113
546	A	31.6	Very low	35.9	Very low	93 Å²	93	134.6 Å²	134.6	77%	0.769	76%	0.764	S	S	*	*	S	Bend	trans	-125.7	13.9	-167.2	0	0	0	0	0	117.5
547	L	31.4	Very low	35.7	Very low	147 Å²	147	139.1 Å²	139.1	77%	0.77	77%	0.765	S	S	*	*	S	Bend	trans	-134.7	19.7	-174.6	-88.6	164.5	0	0	0	117.2
548	Y	32.1	Very low	35.5	Very low	236 Å²	236	141 Å²	141	93%	0.925	77%	0.769	S	S	*	*			trans	-132.1	53.6	167.7	-79.5	-83.7	0	0	0	111.9
549	H	29.6	Very low	35.3	Very low	186 Å²	186	140.8 Å²	140.8	86%	0.861	77%	0.767	S	S	*	*	S	Bend	trans	-121.3	131.7	159.5	-105.7	-42.8	0	0	0	108.6
550	S	28.7	Very low	35.4	Very low	121 Å²	121	142.8 Å²	142.8	85%	0.846	76%	0.761	S	S	*	*			trans	75.8	87.5	171.1	79.8	0	0	0	0	117.3
551	A	28.2	Very low	35.7	Very low	86 Å²	86	137.9 Å²	137.9	71%	0.711	75%	0.748	S	S	*	*			trans	-162	100.6	147.7	0	0	0	0	0	110.6
552	Y	31.4	Very low	36.2	Very low	222 Å²	222	140.8 Å²	140.8	87%	0.871	75%	0.754	S	S	*	*			trans	60.1	72.5	151.6	-63.1	-87.6	0	0	0	119.6
553	V	30.9	Very low	36.4	Very low	138 Å²	138	141.3 Å²	141.3	84%	0.836	75%	0.75	S	S	*	*			trans	-125.4	58.2	143.1	-168.4	0	0	0	0	108.6
554	V	33.2	Very low	36.8	Very low	141 Å²	141	136 Å²	136	86%	0.855	73%	0.731	S	S	*	*	S	Bend	trans	-132.2	103	169	-180	0	0	0	0	105
555	G	36.8	Very low	37.5	Very low	62 Å²	62	136 Å²	136	64%	0.639	72%	0.722	S	S	*	*	S	Bend	trans	149.2	-11.5	172.5	0	0	0	0	0	118.6
556	V	43.1	Very low	38.2	Very low	90 Å²	90	135.4 Å²	135.4	55%	0.545	71%	0.711	S	S	.	*			trans	-115.7	6.2	-175.5	-156.1	0	0	0	0	113.8	D558 L560	V556-D558 VanDerWaalsContact C-N 3.31Å; V556-D558 PolarHBondContact O-N 2.85Å; V556-L560 HydrophobicContact CG1-CD1 3.73Å; V556-L560 HydrophobicContact CG1-CG 4.02Å
557	K	42.3	Very low	38.9	Very low	158 Å²	158	135.7 Å²	135.7	69%	0.687	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-24.8	177.2	-86.6	-175.8	172.3	-178.3	0	113.5	T561	K557-T561 PolarHBondContact O-OG1 2.79Å
558	D	42.7	Very low	39.9	Very low	130 Å²	130	129.4 Å²	129.4	70%	0.695	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	-10.1	-173.6	-62	-28.4	0	0	0	114.7	V556 T561	V556-D558 VanDerWaalsContact C-N 3.31Å; V556-D558 PolarHBondContact O-N 2.85Å; D558-T561 PolarHBondContact O-OG1 3.12Å
559	V	44.5	Very low	41.1	Very low	90 Å²	90	124.6 Å²	124.6	55%	0.545	67%	0.673	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.2	-27.5	-177.9	-177.3	0	0	0	0	112.2
560	L	43.3	Very low	42.8	Very low	110 Å²	110	123.3 Å²	123.3	58%	0.576	67%	0.665	S	S	*	*	S	Bend	trans	-87	-21	178.9	-70.8	170.1	0	0	0	113.3	V556 H562	V556-L560 HydrophobicContact CG1-CD1 3.73Å; V556-L560 HydrophobicContact CG1-CG 4.02Å; L560-H562 VanDerWaalsContact C-N 3.34Å
561	T	45.4	Very low	44.7	Very low	94 Å²	94	118.5 Å²	118.5	58%	0.577	63%	0.63	S	S	*	*	S	Bend	trans	-73.4	-24.1	176.3	43.7	0	0	0	0	112.9	K557 D558	K557-T561 PolarHBondContact O-OG1 2.79Å; D558-T561 PolarHBondContact O-OG1 3.12Å
562	H	45.4	Very low	46.7	Very low	161 Å²	161	117.1 Å²	117.1	75%	0.745	61%	0.613	S	S	*	*	S	Bend	trans	-95.6	-6.1	178.6	-90.3	-57.4	0	0	0	115.5	L560 P564	L560-H562 VanDerWaalsContact C-N 3.34Å; H562-P564 WeakPolarHBondContact O-CD 3.45Å
563	Y	42.2	Very low	48.9	Very low	198 Å²	198	109.4 Å²	109.4	78%	0.776	60%	0.601	S	S	*	*	S	Bend	trans	-112.4	57.5	167.6	-78.4	-84.1	0	0	0	111.8	F565	Y563-F565 PolarHBondContact O-N 2.85Å
564	P	42.6	Very low	51.1	Low	75 Å²	75	106.5 Å²	106.5	49%	0.487	58%	0.583	S	S	.	*			trans	-64.7	124.1	-170	27.3	-33.3	0	0	0	111.7	H562 R566	H562-P564 WeakPolarHBondContact O-CD 3.45Å; P564-R566 PolarHBondContact O-N 3.44Å
565	F	49.2	Very low	53.1	Low	112 Å²	112	102.3 Å²	102.3	49%	0.491	56%	0.56	S	S	.	*	S	Bend	trans	71	-14.6	144.7	-58.5	-67	0	0	0	121.9	Y563 E614	Y563-F565 PolarHBondContact O-N 2.85Å; F565-E614 HydrophobicContact CD1-CG 4.06Å; F565-E614 HydrophobicContact CE1-CB 3.7Å; F565-E614 VanDerWaalsContact CE1-CD 3.5Å; F565-E614 HydrophobicContact CE1-CG 3.47Å; F565-E614 VanDerWaalsContact CE1-CG 3.47Å; F565-E614 HydrophobicContact CZ-CB 4.03Å; F565-E614 VanDerWaalsContact CZ-CD 3.45Å; F565-E614 HydrophobicContact CZ-CG 3.91Å; F565-E614 WeakPolarHBondContact CZ-OE2 3.17Å
566	R	47.6	Very low	54.9	Low	193 Å²	193	103.2 Å²	103.2	73%	0.728	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-13.4	179.6	-98.5	-176.5	171.6	173.5	-1.3	116.5	P564	P564-R566 PolarHBondContact O-N 3.44Å
567	A	47.1	Very low	56.2	Low	99 Å²	99	101.5 Å²	101.5	82%	0.818	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-9.9	-172.5	0	0	0	0	0	114.8	L569	A567-L569 PolarHBondContact O-N 2.73Å
568	A	52.2	Low	57.3	Low	15 Å²	15	104.2 Å²	104.2	12%	0.124	55%	0.549	C	S	.	.			trans	-81.1	51.6	-179	0	0	0	0	0	112.5	F570 H619	A568-F570 VanDerWaalsContact C-N 3.29Å; A568-F570 PolarHBondContact O-N 2.93Å; A568-H619 VanDerWaalsContact CB-CE1 3.43Å; A568-H619 WeakPolarHBondContact CB-CE1 3.47Å
569	L	57.2	Low	58.6	Low	136 Å²	136	102 Å²	102	71%	0.712	54%	0.54	S	S	*	.			trans	-83.2	-2.3	-179.5	-87.9	155.5	0	0	0	113.7	A567	A567-L569 PolarHBondContact O-N 2.73Å
570	F	65	Low	59.5	Low	159 Å²	159	103.2 Å²	103.2	70%	0.697	54%	0.54	S	S	*	.			trans	-116	116.5	-172.3	-166.5	-96.2	0	0	0	111.5	A568 H619	A568-F570 VanDerWaalsContact C-N 3.29Å; A568-F570 PolarHBondContact O-N 2.93Å; F570-H619 PolarHBondContact O-CD2 3.13Å
571	I	68.4	Low	60.5	Low	20 Å²	20	100.9 Å²	100.9	10%	0.103	53%	0.532	C	S	.	.			trans	-100.8	136.7	169.8	-64.9	-167.5	0	0	0	108.3	P516 G573 L621 L622	P516-I571 HydrophobicContact CB-CG2 4.09Å; P516-I571 HydrophobicContact CG-CG2 4.34Å; I571-G573 PolarHBondContact O-N 3.46Å; I571-L621 VanDerWaalsContact CD1-C 3.4Å; I571-L622 HydrophobicContact CD1-CB 3.41Å; I571-L622 VanDerWaalsContact CD1-CB 3.41Å; I571-L622 HydrophobicContact CG1-CB 4.25Å
572	P	71.2	Confident	61.5	Low	57 Å²	57	99.6 Å²	99.6	37%	0.37	52%	0.523	S	S	.	.			trans	-57.3	130.1	172.6	24.8	-33.6	0	0	0	110.1	P516 V574	P516-P572 WeakPolarHBondContact CB-O 3.41Å; P572-V574 PolarHBondContact O-N 2.71Å; P572-V574 VanDerWaalsContact O-N 3.12Å
573	G	76	Confident	62.5	Low	59 Å²	59	93.9 Å²	93.9	61%	0.608	50%	0.498	S	S	*	.	S	Bend	trans	-62.3	-22.7	-177.6	0	0	0	0	0	114	F517 I571	F517-G573 WeakPolarHBondContact CB-O 3.28Å; F517-G573 PolarHBondContact N-O 2.73Å; F517-G573 VanDerWaalsContact N-O 3.09Å; I571-G573 PolarHBondContact O-N 3.46Å
574	V	78.5	Confident	63.5	Low	78 Å²	78	88.4 Å²	88.4	47%	0.473	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	139.5	-179.9	179.7	0	0	0	0	109.1	F517 M519 P572	F517-V574 HydrophobicContact CB-CG2 4.43Å; F517-V574 HydrophobicContact CD1-CG2 4.5Å; F517-V574 CarbonylContact O-C 3.47Å; F517-V574 WeakPolarHBondContact O-CA 3.37Å; M519-V574 HydrophobicContact CB-CG1 4.37Å; M519-V574 HydrophobicContact CG-CG1 3.76Å; M519-V574 HydrophobicContact SD-CG1 3.55Å; M519-V574 VanDerWaalsContact SD-CG1 3.55Å; P572-V574 PolarHBondContact O-N 2.71Å; P572-V574 VanDerWaalsContact O-N 3.12Å
575	S	74.8	Confident	64.4	Low	52 Å²	52	91.6 Å²	91.6	36%	0.364	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	140.8	169.3	-174	0	0	0	0	109.3	F517 W518 M519	F517-S575 PolarHBondContact O-N 2.71Å; W518-S575 CarbonylContact C-O 3.6Å; W518-S575 WeakPolarHBondContact CA-O 3.31Å; M519-S575 PolarHBondContact N-O 3.05Å
576	T	74.2	Confident	64.8	Low	81 Å²	81	92.7 Å²	92.7	50%	0.497	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	150	177.7	176.3	0	0	0	0	109.6
577	T	69.8	Low	65.3	Low	55 Å²	55	89.4 Å²	89.4	34%	0.337	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-70.5	162.8	165.4	46.3	0	0	0	0	110.8	W518 A521	W518-T577 HydrophobicContact CZ2-CG2 3.8Å; A521-T577 WeakPolarHBondContact CB-OG1 3.14Å; A521-T577 PolarHBondContact N-OG1 3.36Å
578	R	65.8	Low	65.7	Low	214 Å²	214	89.4 Å²	89.4	81%	0.808	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-57.8	145.1	177.1	-173.3	178.7	179.5	-173.9	-0.5	110.1	A521 E580	A521-R578 WeakPolarHBondContact CB-O 3.36Å; R578-E580 PolarHBondContact O-N 3.06Å
579	V	70	Confident	65.7	Low	83 Å²	83	97.3 Å²	97.3	50%	0.503	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-61.1	120.3	173.5	177.6	0	0	0	0	109	I522	I522-V579 WeakPolarHBondContact O-CG1 3.27Å
580	E	63.3	Low	65.8	Low	116 Å²	116	95.3 Å²	95.3	54%	0.542	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	126.5	-178.8	-72.1	-177	-178.2	0	0	111.4	S523 W524 R578	S523-E580 WeakPolarHBondContact CA-O 3.16Å; W524-E580 PolarHBondContact N-O 3.39Å; R578-E580 PolarHBondContact O-N 3.06Å
581	P	64.9	Low	65.5	Low	62 Å²	62	91.2 Å²	91.2	40%	0.403	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	125.9	170	30.4	-31.3	0	0	0	110.5	W524 V526 R586	W524-P581 WeakPolarHBondContact O-CA 3.31Å; V526-P581 HydrophobicContact CG2-CB 4.25Å; P581-R586 PolarHBondContact O-NH2 2.96Å; P581-R586 VanDerWaalsContact O-NH2 3.1Å
582	V	65.9	Low	65	Low	66 Å²	66	96.1 Å²	96.1	40%	0.4	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	100.3	172.7	-179.7	0	0	0	0	108	W524 R525 V526	W524-V582 PolarHBondContact O-N 3.4Å; R525-V582 WeakPolarHBondContact CA-O 3.23Å; R525-V582 HydrophobicContact CG-CB 4.09Å; R525-V582 HydrophobicContact CG-CG1 4.27Å; V526-V582 PolarHBondContact N-O 2.94Å
583	I	65.6	Low	64.4	Low	42 Å²	42	100.6 Å²	100.6	22%	0.215	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	134.9	-179	-52	170.8	0	0	0	108.9	C531 H585 R586	C531-I583 HydrophobicContact CB-CD1 4.4Å; C531-I583 VanDerWaalsContact SG-CD1 3.56Å; I583-H585 WeakPolarHBondContact CG2-O 3.36Å; I583-H585 PolarHBondContact O-N 2.84Å; I583-R586 HydrophobicContact CB-CG 4.25Å
584	S	63.8	Low	64.1	Low	82 Å²	82	102 Å²	102	57%	0.573	51%	0.51	S	S	*	.	S	Bend	trans	-67.5	-20.4	-177.9	56.6	0	0	0	0	114.4	G528	G528-S584 PolarHBondContact N-OG 3.24Å
585	H	62.4	Low	63.6	Low	143 Å²	143	100.7 Å²	100.7	66%	0.662	51%	0.508	S	S	*	.			trans	-138.2	103.7	175.5	-70.2	-68	0	0	0	108.7	I583	I583-H585 WeakPolarHBondContact CG2-O 3.36Å; I583-H585 PolarHBondContact O-N 2.84Å
586	R	57.1	Low	63.4	Low	134 Å²	134	100.7 Å²	100.7	51%	0.506	51%	0.511	S	S	.	.			trans	-99.5	130.9	167.9	-80	-168	-175.4	-170.3	4.8	109.2	P581 I583 D591	P581-R586 PolarHBondContact O-NH2 2.96Å; P581-R586 VanDerWaalsContact O-NH2 3.1Å; I583-R586 HydrophobicContact CB-CG 4.25Å; R586-D591 IonicContact NH1-OD1 2.83Å
587	F	57.7	Low	63.4	Low	124 Å²	124	101 Å²	101	54%	0.544	51%	0.509	S	S	.	.			trans	-85.6	129	172.3	-71.3	-79.3	0	0	0	109.6	Y589 E590	F587-Y589 PolarHBondContact O-N 3.23Å; F587-E590 PolarHBondContact O-N 3.3Å
588	P	55.4	Low	63.6	Low	99 Å²	99	103.7 Å²	103.7	64%	0.643	52%	0.518	S	S	*	.	H	α-helix	trans	-59.6	-18.2	-175.9	-25.1	33.9	0	0	0	115.5
589	Y	52.9	Low	64.1	Low	181 Å²	181	99.7 Å²	99.7	71%	0.71	51%	0.506	S	S	*	.	H	α-helix	trans	-79.9	-33.2	-178.1	-175.3	-97	0	0	0	112.9	F587 L592 Y593	F587-Y589 PolarHBondContact O-N 3.23Å; Y589-L592 PolarHBondContact O-N 3.32Å; Y589-Y593 PolarHBondContact O-N 3.03Å
590	E	58.1	Low	64.4	Low	95 Å²	95	102.2 Å²	102.2	44%	0.444	51%	0.511	S	S	.	.	H	α-helix	trans	-68.2	-41.1	176.7	-69	-177	156.8	0	0	110.6	F587 L592 Y593 D594	F587-E590 PolarHBondContact O-N 3.3Å; E590-L592 PolarHBondContact O-N 2.95Å; E590-Y593 PolarHBondContact O-N 3.17Å; E590-D594 WeakPolarHBondContact O-CB 3.27Å; E590-D594 PolarHBondContact O-N 3.43Å
591	D	59.4	Low	65.1	Low	72 Å²	72	99.6 Å²	99.6	39%	0.385	50%	0.504	S	S	.	.	H	α-helix	trans	-58.8	-33.7	175.7	-68.3	-42.1	0	0	0	112.1	R586 A595	R586-D591 IonicContact NH1-OD1 2.83Å; D591-A595 WeakPolarHBondContact O-CB 3.16Å; D591-A595 PolarHBondContact O-N 3.18Å
592	L	57.2	Low	65.7	Low	123 Å²	123	102.1 Å²	102.1	64%	0.644	51%	0.511	S	S	*	.	H	α-helix	trans	-73	-40.2	177.9	-76	167.7	0	0	0	112.8	Y589 E590 A596	Y589-L592 PolarHBondContact O-N 3.32Å; E590-L592 PolarHBondContact O-N 2.95Å; L592-A596 WeakPolarHBondContact O-CB 3.32Å; L592-A596 PolarHBondContact O-N 3.19Å; L592-A596 VanDerWaalsContact O-N 3.09Å
593	Y	60.4	Low	66.3	Low	152 Å²	152	104 Å²	104	60%	0.596	52%	0.515	S	S	*	.	H	α-helix	trans	-70.6	-44	178.1	-170.8	-92.2	0	0	0	110.9	Y589 E590 A596 L597	Y589-Y593 PolarHBondContact O-N 3.03Å; E590-Y593 PolarHBondContact O-N 3.17Å; Y593-A596 PolarHBondContact O-N 2.74Å; Y593-L597 WeakPolarHBondContact O-CB 3.2Å; Y593-L597 PolarHBondContact O-N 3.45Å
594	D	67.9	Low	66.9	Low	87 Å²	87	110.5 Å²	110.5	47%	0.465	54%	0.538	S	S	.	.	H	α-helix	trans	-62.9	-44.1	176.3	-75.6	-12.7	0	0	0	111	E590 A596 L597 E598	E590-D594 WeakPolarHBondContact O-CB 3.27Å; E590-D594 PolarHBondContact O-N 3.43Å; D594-A596 VanDerWaalsContact C-N 3.34Å; D594-A596 PolarHBondContact O-N 3.36Å; D594-L597 PolarHBondContact O-N 3.09Å; D594-E598 WeakPolarHBondContact O-CB 3.42Å; D594-E598 WeakPolarHBondContact O-CG 3.35Å; D594-E598 PolarHBondContact O-N 3.32Å
595	A	68.9	Low	67.5	Low	51 Å²	51	111.2 Å²	111.2	42%	0.421	54%	0.535	S	S	.	.	H	α-helix	trans	-63.1	-37.9	176.1	0	0	0	0	0	112.9	D591 K599	D591-A595 WeakPolarHBondContact O-CB 3.16Å; D591-A595 PolarHBondContact O-N 3.18Å; A595-K599 WeakPolarHBondContact O-CB 3.48Å; A595-K599 PolarHBondContact O-N 3.49Å
596	A	71.8	Confident	68.2	Low	53 Å²	53	109.6 Å²	109.6	44%	0.438	53%	0.532	S	S	.	.	H	α-helix	trans	-69.3	-38.1	176.4	0	0	0	0	0	112.2	L592 Y593 D594 K600	L592-A596 WeakPolarHBondContact O-CB 3.32Å; L592-A596 PolarHBondContact O-N 3.19Å; L592-A596 VanDerWaalsContact O-N 3.09Å; Y593-A596 PolarHBondContact O-N 2.74Å; D594-A596 VanDerWaalsContact C-N 3.34Å; D594-A596 PolarHBondContact O-N 3.36Å; A596-K600 PolarHBondContact O-N 3.35Å; A596-K600 VanDerWaalsContact O-N 3.16Å
597	L	73.5	Confident	69.2	Low	87 Å²	87	109.1 Å²	109.1	46%	0.455	54%	0.539	S	S	.	.	H	α-helix	trans	-66.7	-47.2	174.3	-166.6	90.6	0	0	0	110.9	Y593 D594 K599 K600 C601	Y593-L597 WeakPolarHBondContact O-CB 3.2Å; Y593-L597 PolarHBondContact O-N 3.45Å; D594-L597 PolarHBondContact O-N 3.09Å; L597-K599 VanDerWaalsContact C-N 3.31Å; L597-K599 PolarHBondContact O-N 3.03Å; L597-K600 PolarHBondContact O-N 2.86Å; L597-C601 WeakPolarHBondContact O-CB 3.32Å; L597-C601 PolarHBondContact O-N 3.21Å; L597-C601 PolarHBondContact O-SG 3.01Å; L597-C601 VanDerWaalsContact O-SG 3.37Å
598	E	73.7	Confident	70.1	Confident	111 Å²	111	106.2 Å²	106.2	52%	0.519	54%	0.538	S	S	.	.	H	α-helix	trans	-57.6	-44.1	176.2	-79.3	-173.5	165.5	0	0	111.4	D594 K600 C601 Q602	D594-E598 WeakPolarHBondContact O-CB 3.42Å; D594-E598 WeakPolarHBondContact O-CG 3.35Å; D594-E598 PolarHBondContact O-N 3.32Å; E598-K600 PolarHBondContact O-N 3.03Å; E598-C601 PolarHBondContact O-N 3.2Å; E598-Q602 WeakPolarHBondContact O-CB 3.32Å; E598-Q602 VanDerWaalsContact O-CG 3.3Å; E598-Q602 WeakPolarHBondContact O-CG 3.48Å; E598-Q602 PolarHBondContact O-N 3.19Å
599	K	76.3	Confident	71	Confident	130 Å²	130	105 Å²	105	57%	0.565	53%	0.526	S	S	*	.	H	α-helix	trans	-60.5	-46.2	176.5	-171.4	-179.9	177.4	-176.4	0	111.8	A595 L597 Q602 E603	A595-K599 WeakPolarHBondContact O-CB 3.48Å; A595-K599 PolarHBondContact O-N 3.49Å; L597-K599 VanDerWaalsContact C-N 3.31Å; L597-K599 PolarHBondContact O-N 3.03Å; K599-Q602 PolarHBondContact O-N 2.85Å; K599-E603 WeakPolarHBondContact CE-OE1 3.22Å; K599-E603 WeakPolarHBondContact O-CG 3.5Å; K599-E603 PolarHBondContact O-N 2.92Å
600	K	76.8	Confident	72	Confident	136 Å²	136	103 Å²	103	59%	0.591	52%	0.523	S	S	*	.	H	α-helix	trans	-61.4	-45.2	175	-78.1	-177.3	177	179.5	0	111.6	A596 L597 E598 Q602 E603 Y604	A596-K600 PolarHBondContact O-N 3.35Å; A596-K600 VanDerWaalsContact O-N 3.16Å; L597-K600 PolarHBondContact O-N 2.86Å; E598-K600 PolarHBondContact O-N 3.03Å; K600-Q602 VanDerWaalsContact C-N 3.33Å; K600-Q602 PolarHBondContact O-N 2.94Å; K600-E603 PolarHBondContact O-N 3.12Å; K600-Y604 WeakPolarHBondContact O-CD2 3.35Å; K600-Y604 PolarHBondContact O-N 2.92Å; K600-Y604 VanDerWaalsContact O-N 3.1Å
601	C	77	Confident	72.6	Confident	61 Å²	61	103.3 Å²	103.3	41%	0.412	53%	0.533	S	S	.	.	H	α-helix	trans	-62	-39.7	177.4	-72.4	0	0	0	0	112.2	L597 E598 Y604 L605	L597-C601 WeakPolarHBondContact O-CB 3.32Å; L597-C601 PolarHBondContact O-N 3.21Å; L597-C601 PolarHBondContact O-SG 3.01Å; L597-C601 VanDerWaalsContact O-SG 3.37Å; E598-C601 PolarHBondContact O-N 3.2Å; C601-Y604 PolarHBondContact O-N 3.43Å; C601-L605 VanDerWaalsContact O-CB 3.28Å; C601-L605 WeakPolarHBondContact O-CB 3.11Å; C601-L605 VanDerWaalsContact O-CG 3.29Å; C601-L605 WeakPolarHBondContact O-CG 3.46Å; C601-L605 PolarHBondContact O-N 3.13Å
602	Q	77.1	Confident	73.1	Confident	115 Å²	115	104.1 Å²	104.1	54%	0.537	53%	0.531	S	S	.	.	H	α-helix	trans	-63.6	-42.1	175.5	-78	177	-2.2	0	0	111.9	E598 K599 K600 L605 N606	E598-Q602 WeakPolarHBondContact O-CB 3.32Å; E598-Q602 VanDerWaalsContact O-CG 3.3Å; E598-Q602 WeakPolarHBondContact O-CG 3.48Å; E598-Q602 PolarHBondContact O-N 3.19Å; K599-Q602 PolarHBondContact O-N 2.85Å; K600-Q602 VanDerWaalsContact C-N 3.33Å; K600-Q602 PolarHBondContact O-N 2.94Å; Q602-L605 PolarHBondContact O-N 3.47Å; Q602-N606 VanDerWaalsContact O-CB 3.27Å; Q602-N606 WeakPolarHBondContact O-CB 3.33Å; Q602-N606 PolarHBondContact O-N 2.82Å; Q602-N606 PolarHBondContact O-ND2 2.79Å
603	E	78.8	Confident	73.7	Confident	106 Å²	106	101.8 Å²	101.8	50%	0.495	51%	0.514	S	S	.	.	H	α-helix	trans	-59.3	-49.8	175.1	-72.5	169.6	-171.9	0	0	110.9	K599 K600 L605 N606 D607	K599-E603 WeakPolarHBondContact CE-OE1 3.22Å; K599-E603 WeakPolarHBondContact O-CG 3.5Å; K599-E603 PolarHBondContact O-N 2.92Å; K600-E603 PolarHBondContact O-N 3.12Å; E603-L605 PolarHBondContact O-N 3.03Å; E603-N606 PolarHBondContact O-N 2.88Å; E603-D607 PolarHBondContact O-N 3.42Å
604	Y	78.3	Confident	73.9	Confident	178 Å²	178	99.7 Å²	99.7	70%	0.698	51%	0.51	S	S	*	.	H	α-helix	trans	-63.5	-39.5	176.4	-76.8	-69	0	0	0	113.6	K600 C601 A608	K600-Y604 WeakPolarHBondContact O-CD2 3.35Å; K600-Y604 PolarHBondContact O-N 2.92Å; K600-Y604 VanDerWaalsContact O-N 3.1Å; C601-Y604 PolarHBondContact O-N 3.43Å; Y604-A608 WeakPolarHBondContact O-CB 3.45Å; Y604-A608 PolarHBondContact O-N 3.11Å; Y604-A608 VanDerWaalsContact O-N 3.09Å
605	L	76.6	Confident	73.8	Confident	97 Å²	97	100.5 Å²	100.5	51%	0.508	51%	0.509	S	S	.	.	H	α-helix	trans	-69.2	-40.2	178.6	-80.6	165.1	0	0	0	111.8	C601 Q602 E603 D607 A608 L609	C601-L605 VanDerWaalsContact O-CB 3.28Å; C601-L605 WeakPolarHBondContact O-CB 3.11Å; C601-L605 VanDerWaalsContact O-CG 3.29Å; C601-L605 WeakPolarHBondContact O-CG 3.46Å; C601-L605 PolarHBondContact O-N 3.13Å; Q602-L605 PolarHBondContact O-N 3.47Å; E603-L605 PolarHBondContact O-N 3.03Å; L605-D607 VanDerWaalsContact C-N 3.32Å; L605-D607 PolarHBondContact O-N 3.14Å; L605-A608 PolarHBondContact O-N 3.21Å; L605-L609 VanDerWaalsContact O-CB 3.24Å; L605-L609 WeakPolarHBondContact O-CB 3.23Å; L605-L609 VanDerWaalsContact O-CG 3.25Å; L605-L609 WeakPolarHBondContact O-CG 3.44Å; L605-L609 PolarHBondContact O-N 3.27Å
606	N	77.2	Confident	73.7	Confident	110 Å²	110	101.8 Å²	101.8	59%	0.588	51%	0.509	S	S	*	.	H	α-helix	trans	-61.2	-43.1	177.6	-77.9	-21	0	0	0	111.2	Q602 E603 L609 Q610	Q602-N606 VanDerWaalsContact O-CB 3.27Å; Q602-N606 WeakPolarHBondContact O-CB 3.33Å; Q602-N606 PolarHBondContact O-N 2.82Å; Q602-N606 PolarHBondContact O-ND2 2.79Å; E603-N606 PolarHBondContact O-N 2.88Å; N606-L609 PolarHBondContact O-N 3.41Å; N606-Q610 PolarHBondContact O-N 3.49Å
607	D	77.6	Confident	73.5	Confident	123 Å²	123	100.6 Å²	100.6	66%	0.658	50%	0.495	S	S	*	.	H	α-helix	trans	-65.4	-40.1	175.8	-73.9	-9.4	0	0	0	111.8	E603 L605	E603-D607 PolarHBondContact O-N 3.42Å; L605-D607 VanDerWaalsContact C-N 3.32Å; L605-D607 PolarHBondContact O-N 3.14Å
608	A	78.4	Confident	73	Confident	64 Å²	64	98 Å²	98	53%	0.529	48%	0.484	S	S	.	.	H	α-helix	trans	-70.4	-34.1	178.2	0	0	0	0	0	113.4	Y604 L605	Y604-A608 WeakPolarHBondContact O-CB 3.45Å; Y604-A608 PolarHBondContact O-N 3.11Å; Y604-A608 VanDerWaalsContact O-N 3.09Å; L605-A608 PolarHBondContact O-N 3.21Å
609	L	73.2	Confident	72.6	Confident	73 Å²	73	95.3 Å²	95.3	38%	0.382	47%	0.471	S	S	.	.	H	α-helix	trans	-91.3	-8.7	-176.9	-66.8	175.5	0	0	0	113.6	L605 N606 P611 Y612 R613 L616	L605-L609 VanDerWaalsContact O-CB 3.24Å; L605-L609 WeakPolarHBondContact O-CB 3.23Å; L605-L609 VanDerWaalsContact O-CG 3.25Å; L605-L609 WeakPolarHBondContact O-CG 3.44Å; L605-L609 PolarHBondContact O-N 3.27Å; N606-L609 PolarHBondContact O-N 3.41Å; L609-P611 VanDerWaalsContact C-N 3.3Å; L609-P611 VanDerWaalsContact O-N 3.16Å; L609-Y612 HydrophobicContact CD2-CD2 4.49Å; L609-Y612 CarbonylContact O-C 3.58Å; L609-Y612 WeakPolarHBondContact O-CA 3.47Å; L609-Y612 PolarHBondContact O-N 3.29Å; L609-R613 PolarHBondContact O-N 3.17Å; L609-R613 VanDerWaalsContact O-N 3.08Å; L609-L616 HydrophobicContact CD1-CD1 4.43Å; L609-L616 HydrophobicContact CD2-CD1 4.46Å
610	Q	74.4	Confident	72.3	Confident	138 Å²	138	91.5 Å²	91.5	65%	0.645	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-47.8	-43.5	-179.6	-160.6	-165.6	10.1	0	0	113.7	N606 Y612 R613	N606-Q610 PolarHBondContact O-N 3.49Å; Q610-Y612 VanDerWaalsContact C-N 3.25Å; Q610-Y612 PolarHBondContact O-N 3.33Å; Q610-R613 VanDerWaalsContact O-CB 3.32Å; Q610-R613 WeakPolarHBondContact O-CB 3.45Å; Q610-R613 PolarHBondContact O-N 3.25Å
611	P	70.3	Confident	72	Confident	102 Å²	102	87.4 Å²	87.4	66%	0.662	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-68.6	-21.6	177.5	-18.2	32.8	0	0	0	114.2	L609	L609-P611 VanDerWaalsContact C-N 3.3Å; L609-P611 VanDerWaalsContact O-N 3.16Å
612	Y	70.7	Confident	71.8	Confident	89 Å²	89	87.4 Å²	87.4	35%	0.349	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-98.4	-1.5	-178.9	-57.3	-77.2	0	0	0	112.6	L609 Q610 E614 F615 L616	L609-Y612 HydrophobicContact CD2-CD2 4.49Å; L609-Y612 CarbonylContact O-C 3.58Å; L609-Y612 WeakPolarHBondContact O-CA 3.47Å; L609-Y612 PolarHBondContact O-N 3.29Å; Q610-Y612 VanDerWaalsContact C-N 3.25Å; Q610-Y612 PolarHBondContact O-N 3.33Å; Y612-E614 PolarHBondContact O-N 3.35Å; Y612-F615 WeakPolarHBondContact O-CA 3.44Å; Y612-F615 WeakPolarHBondContact O-CB 3.3Å; Y612-F615 PolarHBondContact O-N 2.87Å; Y612-F615 VanDerWaalsContact O-N 3.09Å; Y612-L616 WeakPolarHBondContact O-CG 3.18Å; Y612-L616 PolarHBondContact O-N 3.46Å
613	R	69.2	Low	71.6	Confident	75 Å²	75	87.6 Å²	87.6	28%	0.283	44%	0.44	S	S	.	.	H	α-helix	trans	-54.1	-56.4	-175.4	-166.8	172.1	-167.4	163.7	2.3	111.5	L609 Q610 F615 L616 L617 L873 T874 Y876	L609-R613 PolarHBondContact O-N 3.17Å; L609-R613 VanDerWaalsContact O-N 3.08Å; Q610-R613 VanDerWaalsContact O-CB 3.32Å; Q610-R613 WeakPolarHBondContact O-CB 3.45Å; Q610-R613 PolarHBondContact O-N 3.25Å; R613-F615 PolarHBondContact O-N 2.88Å; R613-F615 VanDerWaalsContact O-N 3.15Å; R613-L616 PolarHBondContact O-N 2.72Å; R613-L617 HydrophobicContact CG-CD1 4.23Å; R613-L617 HydrophobicContact CG-CG 4.4Å; R613-L617 WeakPolarHBondContact O-CB 3.5Å; R613-L617 WeakPolarHBondContact O-CG 3.45Å; R613-L617 PolarHBondContact O-N 2.84Å; R613-L873 PolarHBondContact NE-O 3.37Å; R613-L873 PolarHBondContact NH1-O 3.19Å; R613-L873 PolarHBondContact NH2-O 3.1Å; R613-L873 VanDerWaalsContact NH2-O 3.07Å; R613-T874 VanDerWaalsContact NH2-CA 3.32Å; R613-T874 PolarHBondContact NH2-O 3.24Å; R613-Y876 PolarHBondContact NE-OXT 3.28Å; R613-Y876 PolarHBondContact NH2-OXT 3.46Å
614	E	64.2	Low	71.3	Confident	108 Å²	108	85.3 Å²	85.3	51%	0.505	43%	0.434	S	S	.	.	H	α-helix	trans	-57.9	-32.7	178.9	-167.1	174.8	-175.7	0	0	113.4	F565 Y612 S618	F565-E614 HydrophobicContact CD1-CG 4.06Å; F565-E614 HydrophobicContact CE1-CB 3.7Å; F565-E614 VanDerWaalsContact CE1-CD 3.5Å; F565-E614 HydrophobicContact CE1-CG 3.47Å; F565-E614 VanDerWaalsContact CE1-CG 3.47Å; F565-E614 HydrophobicContact CZ-CB 4.03Å; F565-E614 VanDerWaalsContact CZ-CD 3.45Å; F565-E614 HydrophobicContact CZ-CG 3.91Å; F565-E614 WeakPolarHBondContact CZ-OE2 3.17Å; Y612-E614 PolarHBondContact O-N 3.35Å; E614-S618 PolarHBondContact O-N 3.23Å; E614-S618 VanDerWaalsContact O-N 3.11Å; E614-S618 PolarHBondContact O-OG 3.32Å
615	F	65.8	Low	71.1	Confident	103 Å²	103	81.5 Å²	81.5	45%	0.452	42%	0.423	S	S	.	.	H	α-helix	trans	-70.7	-42.9	173.4	178.7	-90.9	0	0	0	112.6	Y612 R613 L617 S618 H619	Y612-F615 WeakPolarHBondContact O-CA 3.44Å; Y612-F615 WeakPolarHBondContact O-CB 3.3Å; Y612-F615 PolarHBondContact O-N 2.87Å; Y612-F615 VanDerWaalsContact O-N 3.09Å; R613-F615 PolarHBondContact O-N 2.88Å; R613-F615 VanDerWaalsContact O-N 3.15Å; F615-L617 VanDerWaalsContact C-N 3.35Å; F615-S618 WeakPolarHBondContact CA-OG 3.5Å; F615-S618 PolarHBondContact O-N 3.19Å; F615-S618 PolarHBondContact O-OG 2.75Å; F615-H619 AromaticContact CD1-ND1 3.99Å; F615-H619 AromaticContact CD2-CE1 3.89Å; F615-H619 AromaticContact CE1-CE1 3.62Å; F615-H619 AromaticContact CE1-ND1 3.74Å; F615-H619 AromaticContact CE2-CE1 3.29Å; F615-H619 WeakPolarHBondContact CE2-CE1 3.39Å; F615-H619 AromaticContact CE2-ND1 3.95Å; F615-H619 AromaticContact CZ-CE1 3.12Å; F615-H619 WeakPolarHBondContact CZ-CE1 3.44Å; F615-H619 AromaticContact CZ-ND1 3.73Å; F615-H619 AromaticContact CZ-NE2 3.73Å; F615-H619 PolarHBondContact O-N 3.46Å; F615-H619 PolarHBondContact O-ND1 2.84Å
616	L	67.2	Low	71.1	Confident	79 Å²	79	79.8 Å²	79.8	41%	0.414	42%	0.419	S	S	.	.	H	α-helix	trans	-67.3	-37.1	177	-68.4	170.2	0	0	0	111.6	L609 Y612 R613 H619 S620	L609-L616 HydrophobicContact CD1-CD1 4.43Å; L609-L616 HydrophobicContact CD2-CD1 4.46Å; Y612-L616 WeakPolarHBondContact O-CG 3.18Å; Y612-L616 PolarHBondContact O-N 3.46Å; R613-L616 PolarHBondContact O-N 2.72Å; L616-H619 PolarHBondContact O-N 3.11Å; L616-S620 PolarHBondContact O-N 3.09Å; L616-S620 PolarHBondContact O-OG 2.72Å
617	L	66.8	Low	71.3	Confident	27 Å²	27	75.4 Å²	75.4	14%	0.141	40%	0.397	C	S	.	.	H	α-helix	trans	-61.7	-48.1	174.8	-67.4	-177.5	0	0	0	112	R613 F615 H619 S620 L621 L873 Y876	R613-L617 HydrophobicContact CG-CD1 4.23Å; R613-L617 HydrophobicContact CG-CG 4.4Å; R613-L617 WeakPolarHBondContact O-CB 3.5Å; R613-L617 WeakPolarHBondContact O-CG 3.45Å; R613-L617 PolarHBondContact O-N 2.84Å; F615-L617 VanDerWaalsContact C-N 3.35Å; L617-H619 PolarHBondContact O-N 3.06Å; L617-S620 WeakPolarHBondContact O-CB 3.45Å; L617-S620 PolarHBondContact O-N 2.88Å; L617-L621 PolarHBondContact O-N 3.4Å; L617-L621 VanDerWaalsContact O-N 3.17Å; L617-L873 HydrophobicContact CD1-CD2 3.71Å; L617-Y876 HydrophobicContact CD2-CD1 2.84Å; L617-Y876 HydrophobicContact CD2-CD2 3.61Å; L617-Y876 HydrophobicContact CD2-CE1 3.14Å; L617-Y876 HydrophobicContact CD2-CE2 3.88Å; L617-Y876 HydrophobicContact CD2-CG 3.06Å; L617-Y876 HydrophobicContact CG-CD1 4.32Å; L617-Y876 HydrophobicContact CG-CG 4.37Å
618	S	64.3	Low	71.6	Confident	32 Å²	32	72 Å²	72	22%	0.224	38%	0.379	C	S	.	.	H	α-helix	trans	-65	-23.9	178	49.3	0	0	0	0	113.5	E614 F615	E614-S618 PolarHBondContact O-N 3.23Å; E614-S618 VanDerWaalsContact O-N 3.11Å; E614-S618 PolarHBondContact O-OG 3.32Å; F615-S618 WeakPolarHBondContact CA-OG 3.5Å; F615-S618 PolarHBondContact O-N 3.19Å; F615-S618 PolarHBondContact O-OG 2.75Å
619	H	65.6	Low	72	Confident	55 Å²	55	70.1 Å²	70.1	26%	0.255	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-10	171.4	-76	74	0	0	0	114	A568 F570 F615 L616 L617	A568-H619 VanDerWaalsContact CB-CE1 3.43Å; A568-H619 WeakPolarHBondContact CB-CE1 3.47Å; F570-H619 PolarHBondContact O-CD2 3.13Å; F615-H619 AromaticContact CD1-ND1 3.99Å; F615-H619 AromaticContact CD2-CE1 3.89Å; F615-H619 AromaticContact CE1-CE1 3.62Å; F615-H619 AromaticContact CE1-ND1 3.74Å; F615-H619 AromaticContact CE2-CE1 3.29Å; F615-H619 WeakPolarHBondContact CE2-CE1 3.39Å; F615-H619 AromaticContact CE2-ND1 3.95Å; F615-H619 AromaticContact CZ-CE1 3.12Å; F615-H619 WeakPolarHBondContact CZ-CE1 3.44Å; F615-H619 AromaticContact CZ-ND1 3.73Å; F615-H619 AromaticContact CZ-NE2 3.73Å; F615-H619 PolarHBondContact O-N 3.46Å; F615-H619 PolarHBondContact O-ND1 2.84Å; L616-H619 PolarHBondContact O-N 3.11Å; L617-H619 PolarHBondContact O-N 3.06Å
620	S	68.5	Low	72.8	Confident	51 Å²	51	67.5 Å²	67.5	36%	0.357	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-37.8	-177.2	-60.4	0	0	0	0	112.8	P516 L616 L617	P516-S620 WeakPolarHBondContact CD-O 3.49Å; L616-S620 PolarHBondContact O-N 3.09Å; L616-S620 PolarHBondContact O-OG 2.72Å; L617-S620 WeakPolarHBondContact O-CB 3.45Å; L617-S620 PolarHBondContact O-N 2.88Å
621	L	71.6	Confident	73.4	Confident	49 Å²	49	67.6 Å²	67.6	26%	0.257	34%	0.341	S	S	.	.			trans	-139.2	131.4	176.2	-69.1	177.1	0	0	0	110.7	S515 I571 L617 F623 Y876	S515-L621 VanDerWaalsContact CB-CD2 3.46Å; I571-L621 VanDerWaalsContact CD1-C 3.4Å; L617-L621 PolarHBondContact O-N 3.4Å; L617-L621 VanDerWaalsContact O-N 3.17Å; L621-F623 HydrophobicContact CB-CD2 4.42Å; L621-F623 HydrophobicContact CB-CE2 3.88Å; L621-F623 HydrophobicContact CB-CZ 4.32Å; L621-F623 HydrophobicContact CD1-CE2 4.24Å; L621-F623 HydrophobicContact CD1-CZ 4.02Å; L621-Y876 HydrophobicContact CD1-CE2 4.1Å; L621-Y876 WeakPolarHBondContact CD1-OH 3.45Å; L621-Y876 WeakPolarHBondContact CG-OH 3.3Å
622	L	72	Confident	74.4	Confident	62 Å²	62	63.4 Å²	63.4	33%	0.325	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-99.6	100.4	176.5	-172.9	72	0	0	0	108.1	V514 I571	V514-L622 HydrophobicContact CB-CB 4.21Å; V514-L622 PolarHBondContact N-O 3.37Å; V514-L622 PolarHBondContact O-N 2.99Å; I571-L622 HydrophobicContact CD1-CB 3.41Å; I571-L622 VanDerWaalsContact CD1-CB 3.41Å; I571-L622 HydrophobicContact CG1-CB 4.25Å
623	F	72.1	Confident	75.5	Confident	119 Å²	119	59.2 Å²	59.2	52%	0.522	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-77.6	135.9	168	-66.1	-79.5	0	0	0	109.6	V513 L621 E625	V513-F623 HydrophobicContact CG1-CD1 4.07Å; V513-F623 HydrophobicContact CG1-CE1 4.04Å; V513-F623 HydrophobicContact CG2-CD1 4.23Å; V513-F623 HydrophobicContact CG2-CE1 4.47Å; L621-F623 HydrophobicContact CB-CD2 4.42Å; L621-F623 HydrophobicContact CB-CE2 3.88Å; L621-F623 HydrophobicContact CB-CZ 4.32Å; L621-F623 HydrophobicContact CD1-CE2 4.24Å; L621-F623 HydrophobicContact CD1-CZ 4.02Å; F623-E625 PolarHBondContact O-N 2.92Å
624	P	73.9	Confident	76.6	Confident	57 Å²	57	56.4 Å²	56.4	37%	0.37	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-66	118.6	175.4	28.2	-34	0	0	0	109.7	R511 L628	R511-P624 HydrophobicContact CB-CB 4.48Å; R511-P624 HydrophobicContact CG-CB 4.18Å; P624-L628 HydrophobicContact CB-CD1 4.4Å
625	E	73.1	Confident	78.1	Confident	99 Å²	99	51.2 Å²	51.2	46%	0.463	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-59.2	145.5	174.5	-65.8	-172.6	-178.2	0	0	111.2	F623 S627 L628	F623-E625 PolarHBondContact O-N 2.92Å; E625-S627 WeakPolarHBondContact CB-OG 3.28Å; E625-S627 PolarHBondContact O-N 2.81Å; E625-S627 PolarHBondContact OE2-OG 3.11Å; E625-L628 HydrophobicContact CB-CD1 4.37Å; E625-L628 HydrophobicContact CB-CG 4.23Å; E625-L628 WeakPolarHBondContact O-CB 3.42Å; E625-L628 PolarHBondContact O-N 3.02Å; E625-L628 VanDerWaalsContact O-N 3.11Å
626	S	76.6	Confident	79.4	Confident	61 Å²	61	46.3 Å²	46.3	43%	0.427	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-27.3	174.2	52.6	0	0	0	0	112.7	L628 I629 H672	S626-L628 VanDerWaalsContact C-N 3.25Å; S626-L628 PolarHBondContact O-N 3.44Å; S626-I629 WeakPolarHBondContact O-CB 3.28Å; S626-I629 WeakPolarHBondContact O-CG1 3.12Å; S626-I629 PolarHBondContact O-N 2.76Å; S626-H672 PolarHBondContact OG-CE1 2.82Å; S626-H672 PolarHBondContact OG-ND1 3.3Å
627	S	81.3	Confident	80.7	Confident	17 Å²	17	46.7 Å²	46.7	12%	0.119	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-33.9	174.3	67.6	0	0	0	0	112.5	E625 I629 E630 Y631	E625-S627 WeakPolarHBondContact CB-OG 3.28Å; E625-S627 PolarHBondContact O-N 2.81Å; E625-S627 PolarHBondContact OE2-OG 3.11Å; S627-I629 PolarHBondContact O-N 3.47Å; S627-I629 VanDerWaalsContact O-N 3.15Å; S627-E630 PolarHBondContact O-N 2.63Å; S627-E630 VanDerWaalsContact O-N 3.13Å; S627-Y631 WeakPolarHBondContact O-CD2 3.38Å; S627-Y631 PolarHBondContact O-N 3.11Å
628	L	85.5	Confident	82	Confident	53 Å²	53	46.8 Å²	46.8	28%	0.277	25%	0.246	S	C	.	.	H	α-helix	trans	-63.9	-21.8	-178.6	-67.3	170.9	0	0	0	112.5	P624 E625 S626 E630 Y631 D632	P624-L628 HydrophobicContact CB-CD1 4.4Å; E625-L628 HydrophobicContact CB-CD1 4.37Å; E625-L628 HydrophobicContact CB-CG 4.23Å; E625-L628 WeakPolarHBondContact O-CB 3.42Å; E625-L628 PolarHBondContact O-N 3.02Å; E625-L628 VanDerWaalsContact O-N 3.11Å; S626-L628 VanDerWaalsContact C-N 3.25Å; S626-L628 PolarHBondContact O-N 3.44Å; L628-E630 VanDerWaalsContact C-N 3.29Å; L628-E630 PolarHBondContact O-N 2.85Å; L628-Y631 PolarHBondContact O-N 2.77Å; L628-D632 WeakPolarHBondContact O-CB 3.33Å; L628-D632 VanDerWaalsContact O-CG 3.31Å; L628-D632 PolarHBondContact O-N 3.46Å
629	I	86.6	Confident	83.5	Confident	24 Å²	24	45.2 Å²	45.2	12%	0.123	24%	0.235	C	C	.	.	H	α-helix	trans	-61.9	-41.1	176.8	-61.7	171.9	0	0	0	110.1	H504 S626 S627 L636 I665 I668	H504-I629 PolarHBondContact NE2-O 3.45Å; S626-I629 WeakPolarHBondContact O-CB 3.28Å; S626-I629 WeakPolarHBondContact O-CG1 3.12Å; S626-I629 PolarHBondContact O-N 2.76Å; S627-I629 PolarHBondContact O-N 3.47Å; S627-I629 VanDerWaalsContact O-N 3.15Å; I629-L636 HydrophobicContact CG2-CD1 3.85Å; I629-L636 WeakPolarHBondContact O-CD1 3.45Å; I629-I665 HydrophobicContact CG2-CG2 4.1Å; I629-I668 HydrophobicContact CD1-CB 4.26Å; I629-I668 HydrophobicContact CD1-CG2 3.32Å
630	E	88.5	Confident	84.9	Confident	17 Å²	17	42.8 Å²	42.8	8%	0.079	22%	0.224	C	C	.	.	H	α-helix	trans	-69.6	-48.2	175.2	-169.4	-168.9	149.4	0	0	111	S627 L628 D632 C633 H637 A640 F669 H673	S627-E630 PolarHBondContact O-N 2.63Å; S627-E630 VanDerWaalsContact O-N 3.13Å; L628-E630 VanDerWaalsContact C-N 3.29Å; L628-E630 PolarHBondContact O-N 2.85Å; E630-D632 PolarHBondContact O-N 2.83Å; E630-C633 PolarHBondContact O-N 2.82Å; E630-H637 IonicContact OE1-CE1 3.75Å; E630-H637 IonicContact OE1-ND1 2.75Å; E630-H637 PolarHBondContact OE1-ND1 2.94Å; E630-H637 VanDerWaalsContact OE1-ND1 3.08Å; E630-A640 HydrophobicContact CG-CB 4.4Å; E630-F669 HydrophobicContact CB-CE2 4.37Å; E630-F669 HydrophobicContact CG-CE2 4.18Å; E630-H673 IonicContact OE2-CE1 3.45Å; E630-H673 PolarHBondContact OE2-CE1 3.29Å; E630-H673 IonicContact OE2-NE2 3.36Å
631	Y	88.7	Confident	86.1	Confident	141 Å²	141	43.1 Å²	43.1	55%	0.553	22%	0.222	S	C	*	.	H	α-helix	trans	-71.5	-27.5	-173.9	-65.5	-64.9	0	0	0	114.5	S463 S627 L628 C633	S463-Y631 PolarHBondContact OG-O 3.42Å; S627-Y631 WeakPolarHBondContact O-CD2 3.38Å; S627-Y631 PolarHBondContact O-N 3.11Å; L628-Y631 PolarHBondContact O-N 2.77Å; Y631-C633 PolarHBondContact O-N 2.89Å
632	D	90.2	Very high	87.2	Confident	14 Å²	14	41.4 Å²	41.4	8%	0.075	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-15.8	178.2	-82.9	-14.6	0	0	0	112.4	S463 R465 Q466 P505 R511 L628 E630	S463-D632 WeakPolarHBondContact CB-O 3.48Å; S463-D632 PolarHBondContact OG-O 2.7Å; R465-D632 IonicContact CZ-OD2 2.67Å; R465-D632 IonicContact NE-OD2 3.95Å; R465-D632 IonicContact NH1-OD2 3.85Å; R465-D632 PolarHBondContact NH1-OD2 3.05Å; Q466-D632 WeakPolarHBondContact CG-O 3.47Å; P505-D632 HydrophobicContact CG-CB 3.91Å; R511-D632 IonicContact CZ-OD2 3.13Å; R511-D632 IonicContact NE-OD2 3.59Å; R511-D632 PolarHBondContact NE-OD2 3.38Å; R511-D632 IonicContact NH2-OD1 3.53Å; R511-D632 PolarHBondContact NH2-OD1 2.85Å; R511-D632 IonicContact NH2-OD2 2.9Å; R511-D632 PolarHBondContact NH2-OD2 3.27Å; L628-D632 WeakPolarHBondContact O-CB 3.33Å; L628-D632 VanDerWaalsContact O-CG 3.31Å; L628-D632 PolarHBondContact O-N 3.46Å; E630-D632 PolarHBondContact O-N 2.83Å
633	C	93.7	Very high	88.3	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.007	20%	0.198	C	C	.	.			trans	-129.4	119.9	-176.7	-178.5	0	0	0	0	113.4	N503 E630 Y631 K635 L636 H637	N503-C633 PolarHBondContact O-SG 3.39Å; E630-C633 PolarHBondContact O-N 2.82Å; Y631-C633 PolarHBondContact O-N 2.89Å; C633-K635 VanDerWaalsContact C-N 3.32Å; C633-K635 PolarHBondContact O-N 3.16Å; C633-K635 PolarHBondContact SG-N 3.38Å; C633-L636 HydrophobicContact CB-CB 4.16Å; C633-L636 HydrophobicContact CB-CD1 4.15Å; C633-L636 HydrophobicContact CB-CG 4.13Å; C633-L636 PolarHBondContact O-N 3.4Å; C633-H637 PolarHBondContact O-N 3.11Å
634	G	92.5	Very high	89.4	Confident	15 Å²	15	39.5 Å²	39.5	16%	0.155	20%	0.198	C	C	.	.	H	α-helix	trans	-65.4	-30.5	178.5	0	0	0	0	0	114.5	E461 V638	E461-G634 WeakPolarHBondContact O-CA 3.21Å; G634-V638 WeakPolarHBondContact O-CG2 3.4Å; G634-V638 PolarHBondContact O-N 3.34Å
635	K	94.7	Very high	90.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.9	-42.1	174.5	-69	-171	-179.1	-172.5	0	112.2	C460 N503 C633 H637 V638 L639 Y727 L757 C759 E764	C460-K635 HydrophobicContact CB-CG 4.07Å; N503-K635 PolarHBondContact OD1-NZ 3.07Å; C633-K635 VanDerWaalsContact C-N 3.32Å; C633-K635 PolarHBondContact O-N 3.16Å; C633-K635 PolarHBondContact SG-N 3.38Å; K635-H637 VanDerWaalsContact C-N 3.3Å; K635-V638 PolarHBondContact O-N 2.85Å; K635-L639 WeakPolarHBondContact O-CB 3.41Å; K635-L639 PolarHBondContact O-N 3.49Å; K635-Y727 HydrophobicContact CB-CE2 3.88Å; K635-Y727 HydrophobicContact CD-CE1 4.06Å; K635-Y727 HydrophobicContact CD-CE2 4.37Å; K635-Y727 PolarHBondContact NZ-O 2.89Å; K635-L757 HydrophobicContact CB-CD1 4.47Å; K635-L757 HydrophobicContact CD-CB 4.46Å; K635-C759 WeakPolarHBondContact CE-SG 3.31Å; K635-E764 WeakPolarHBondContact CE-OE2 3.36Å; K635-E764 IonicContact NZ-OE1 3.57Å; K635-E764 PolarHBondContact NZ-OE1 3.29Å; K635-E764 IonicContact NZ-OE2 3.72Å; K635-E764 PolarHBondContact NZ-OE2 3.11Å
636	L	94.7	Very high	91.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.7	-36	178.8	-72.6	-178.9	0	0	0	111.4	I629 C633 L639 A640 M662 I665 L666 F669 Y727	I629-L636 HydrophobicContact CG2-CD1 3.85Å; I629-L636 WeakPolarHBondContact O-CD1 3.45Å; C633-L636 HydrophobicContact CB-CB 4.16Å; C633-L636 HydrophobicContact CB-CD1 4.15Å; C633-L636 HydrophobicContact CB-CG 4.13Å; C633-L636 PolarHBondContact O-N 3.4Å; L636-L639 HydrophobicContact CD2-CD2 3.94Å; L636-L639 WeakPolarHBondContact O-CB 3.37Å; L636-L639 PolarHBondContact O-N 2.86Å; L636-A640 WeakPolarHBondContact O-CB 3.5Å; L636-A640 PolarHBondContact O-N 3.37Å; L636-M662 HydrophobicContact CD2-CE 4.16Å; L636-I665 HydrophobicContact CD1-CG2 4.49Å; L636-L666 HydrophobicContact CD2-CD2 3.81Å; L636-F669 HydrophobicContact CB-CE2 4.4Å; L636-F669 HydrophobicContact CD1-CD2 4.47Å; L636-F669 HydrophobicContact CD2-CD1 4.35Å; L636-F669 HydrophobicContact CD2-CD2 4.43Å; L636-F669 HydrophobicContact CD2-CG 4.28Å; L636-Y727 HydrophobicContact CD2-CE2 3.85Å; L636-Y727 HydrophobicContact CG-CE2 4.49Å
637	H	93.5	Very high	92.2	Very high	86 Å²	86	41.1 Å²	41.1	40%	0.398	19%	0.191	S	C	.	.	H	α-helix	trans	-61.1	-45.4	173.5	-171.2	60.8	0	0	0	112.5	E630 C633 K635 A640 N641	E630-H637 IonicContact OE1-CE1 3.75Å; E630-H637 IonicContact OE1-ND1 2.75Å; E630-H637 PolarHBondContact OE1-ND1 2.94Å; E630-H637 VanDerWaalsContact OE1-ND1 3.08Å; C633-H637 PolarHBondContact O-N 3.11Å; K635-H637 VanDerWaalsContact C-N 3.3Å; H637-A640 PolarHBondContact O-N 3.37Å; H637-N641 PolarHBondContact O-N 3.41Å; H637-N641 PolarHBondContact O-ND2 3.02Å
638	V	94.7	Very high	92.8	Very high	29 Å²	29	44.3 Å²	44.3	18%	0.176	22%	0.219	C	C	.	.	H	α-helix	trans	-65	-40.8	174.4	174.8	0	0	0	0	111.2	M458 C460 G634 K635 A640 N641 I642 L757	M458-V638 HydrophobicContact CB-CG1 4.39Å; M458-V638 HydrophobicContact CE-CG1 4.2Å; C460-V638 HydrophobicContact CB-CG2 4.41Å; G634-V638 WeakPolarHBondContact O-CG2 3.4Å; G634-V638 PolarHBondContact O-N 3.34Å; K635-V638 PolarHBondContact O-N 2.85Å; V638-A640 VanDerWaalsContact C-N 3.34Å; V638-A640 PolarHBondContact O-N 2.92Å; V638-N641 PolarHBondContact O-N 2.93Å; V638-I642 HydrophobicContact CG1-CD1 3.97Å; V638-I642 WeakPolarHBondContact O-CG1 3.41Å; V638-I642 PolarHBondContact O-N 2.76Å; V638-I642 VanDerWaalsContact O-N 3.11Å; V638-L757 HydrophobicContact CG1-CD2 4.03Å
639	L	95.7	Very high	93.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-41	176.6	-176.2	67.7	0	0	0	112	K635 L636 N641 I642 L643 I655 L666 F669 I725 Y727 L757	K635-L639 WeakPolarHBondContact O-CB 3.41Å; K635-L639 PolarHBondContact O-N 3.49Å; L636-L639 HydrophobicContact CD2-CD2 3.94Å; L636-L639 WeakPolarHBondContact O-CB 3.37Å; L636-L639 PolarHBondContact O-N 2.86Å; L639-N641 VanDerWaalsContact C-N 3.32Å; L639-N641 PolarHBondContact O-N 2.96Å; L639-I642 PolarHBondContact O-N 2.82Å; L639-L643 HydrophobicContact CD1-CD1 4.42Å; L639-L643 HydrophobicContact CD1-CG 4.31Å; L639-L643 HydrophobicContact CD2-CD1 4.5Å; L639-L643 HydrophobicContact CG-CD1 4.01Å; L639-L643 HydrophobicContact CG-CG 4.29Å; L639-L643 WeakPolarHBondContact O-CB 3.39Å; L639-L643 WeakPolarHBondContact O-CG 3.41Å; L639-L643 PolarHBondContact O-N 3.15Å; L639-I655 HydrophobicContact CD1-CD1 4.5Å; L639-L666 HydrophobicContact CD2-CD2 3.93Å; L639-F669 HydrophobicContact CD2-CD1 4.48Å; L639-F669 HydrophobicContact CD2-CE1 3.93Å; L639-F669 HydrophobicContact CG-CE1 4.32Å; L639-I725 HydrophobicContact CD1-CD1 3.85Å; L639-I725 HydrophobicContact CD1-CG2 3.94Å; L639-Y727 HydrophobicContact CD2-CD2 4.31Å; L639-Y727 HydrophobicContact CD2-CE2 4.29Å; L639-L757 HydrophobicContact CB-CD1 4.27Å; L639-L757 HydrophobicContact CD1-CD1 4.37Å
640	A	94.2	Very high	93.3	Very high	3 Å²	3	48.3 Å²	48.3	3%	0.025	25%	0.252	C	S	.	.	H	α-helix	trans	-60.4	-42	178.2	0	0	0	0	0	111.8	E630 L636 H637 V638 L643 R644 F669	E630-A640 HydrophobicContact CG-CB 4.4Å; L636-A640 WeakPolarHBondContact O-CB 3.5Å; L636-A640 PolarHBondContact O-N 3.37Å; H637-A640 PolarHBondContact O-N 3.37Å; V638-A640 VanDerWaalsContact C-N 3.34Å; V638-A640 PolarHBondContact O-N 2.92Å; A640-L643 PolarHBondContact O-N 3Å; A640-R644 WeakPolarHBondContact O-CB 3.21Å; A640-R644 PolarHBondContact O-N 2.86Å; A640-F669 HydrophobicContact CB-CE2 4.22Å; A640-F669 HydrophobicContact CB-CZ 3.86Å
641	N	94	Very high	93.6	Very high	59 Å²	59	50.1 Å²	50.1	32%	0.316	26%	0.26	S	S	.	.	H	α-helix	trans	-64.2	-47.3	175.7	-67.6	-28.3	0	0	0	111.2	H637 V638 L639 L643 R644 D645	H637-N641 PolarHBondContact O-N 3.41Å; H637-N641 PolarHBondContact O-ND2 3.02Å; V638-N641 PolarHBondContact O-N 2.93Å; L639-N641 VanDerWaalsContact C-N 3.32Å; L639-N641 PolarHBondContact O-N 2.96Å; N641-L643 PolarHBondContact O-N 3.28Å; N641-R644 WeakPolarHBondContact O-CB 3.39Å; N641-R644 PolarHBondContact O-N 3.05Å; N641-D645 PolarHBondContact O-N 3.41Å; N641-D645 VanDerWaalsContact O-N 3.08Å
642	I	95	Very high	93.8	Very high	13 Å²	13	45.2 Å²	45.2	7%	0.067	24%	0.241	C	C	.	.	H	α-helix	trans	-59.5	-46.3	177.3	-65.3	168.5	0	0	0	111	M458 V638 L639 R644 D645 L646 I725 Y755 L757	M458-I642 HydrophobicContact CE-CD1 4.5Å; M458-I642 HydrophobicContact CG-CD1 4.33Å; V638-I642 HydrophobicContact CG1-CD1 3.97Å; V638-I642 WeakPolarHBondContact O-CG1 3.41Å; V638-I642 PolarHBondContact O-N 2.76Å; V638-I642 VanDerWaalsContact O-N 3.11Å; L639-I642 PolarHBondContact O-N 2.82Å; I642-R644 VanDerWaalsContact C-N 3.32Å; I642-R644 PolarHBondContact O-N 3.03Å; I642-D645 PolarHBondContact O-N 3.33Å; I642-L646 HydrophobicContact CG2-CD1 3.74Å; I642-L646 HydrophobicContact CG2-CG 4.22Å; I642-L646 WeakPolarHBondContact O-CB 3.14Å; I642-L646 WeakPolarHBondContact O-CG 3.37Å; I642-L646 PolarHBondContact O-N 2.99Å; I642-I725 HydrophobicContact CG2-CD1 3.99Å; I642-Y755 HydrophobicContact CD1-CD1 4.26Å; I642-Y755 HydrophobicContact CD1-CG 4.45Å; I642-Y755 HydrophobicContact CG2-CD2 4.47Å; I642-Y755 HydrophobicContact CG2-CE2 4.48Å; I642-L757 HydrophobicContact CD1-CD2 4.06Å
643	L	95.5	Very high	94.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.4	-33	180	-70.8	177.8	0	0	0	112.8	L639 A640 N641 L646 R647 C653 F669 L670 Y675 I725	L639-L643 HydrophobicContact CD1-CD1 4.42Å; L639-L643 HydrophobicContact CD1-CG 4.31Å; L639-L643 HydrophobicContact CD2-CD1 4.5Å; L639-L643 HydrophobicContact CG-CD1 4.01Å; L639-L643 HydrophobicContact CG-CG 4.29Å; L639-L643 WeakPolarHBondContact O-CB 3.39Å; L639-L643 WeakPolarHBondContact O-CG 3.41Å; L639-L643 PolarHBondContact O-N 3.15Å; A640-L643 PolarHBondContact O-N 3Å; N641-L643 PolarHBondContact O-N 3.28Å; L643-L646 HydrophobicContact CD2-CD1 4.42Å; L643-R647 WeakPolarHBondContact O-CB 3.32Å; L643-R647 PolarHBondContact O-N 3.28Å; L643-C653 VanDerWaalsContact CD2-SG 3.51Å; L643-F669 HydrophobicContact CD1-CE1 3.88Å; L643-L670 HydrophobicContact CD1-CD2 3.77Å; L643-Y675 HydrophobicContact CB-CE2 4.25Å; L643-Y675 HydrophobicContact CD1-CE2 4.48Å; L643-I725 HydrophobicContact CD2-CD1 4.44Å
644	R	94.3	Very high	94.1	Very high	140 Å²	140	44.5 Å²	44.5	53%	0.528	24%	0.237	S	C	.	.	H	α-helix	trans	-63.3	-47.2	173.7	-172.2	-177.5	-64.6	151	3.6	110.7	A640 N641 I642 R647 A648	A640-R644 WeakPolarHBondContact O-CB 3.21Å; A640-R644 PolarHBondContact O-N 2.86Å; N641-R644 WeakPolarHBondContact O-CB 3.39Å; N641-R644 PolarHBondContact O-N 3.05Å; I642-R644 VanDerWaalsContact C-N 3.32Å; I642-R644 PolarHBondContact O-N 3.03Å; R644-R647 PolarHBondContact O-N 3.26Å; R644-A648 PolarHBondContact O-N 2.96Å
645	D	95.4	Very high	94.2	Very high	99 Å²	99	43.8 Å²	43.8	53%	0.529	23%	0.23	S	C	.	.	H	α-helix	trans	-66.3	-41.4	179.6	-63.9	-16.4	0	0	0	111.6	N641 I642 R647 A648 N649	N641-D645 PolarHBondContact O-N 3.41Å; N641-D645 VanDerWaalsContact O-N 3.08Å; I642-D645 PolarHBondContact O-N 3.33Å; D645-R647 PolarHBondContact O-N 3.47Å; D645-A648 PolarHBondContact O-N 3.32Å; D645-N649 PolarHBondContact O-N 3.44Å; D645-N649 PolarHBondContact O-ND2 3.35Å; D645-N649 VanDerWaalsContact O-ND2 3.15Å
646	L	94.2	Very high	94.2	Very high	7 Å²	7	43.8 Å²	43.8	4%	0.037	23%	0.23	C	C	.	.	H	α-helix	trans	-63.8	-40.2	176.5	-69.6	171.9	0	0	0	112.2	I642 L643 A648 N649 G650 H651 C653 T723 I725	I642-L646 HydrophobicContact CG2-CD1 3.74Å; I642-L646 HydrophobicContact CG2-CG 4.22Å; I642-L646 WeakPolarHBondContact O-CB 3.14Å; I642-L646 WeakPolarHBondContact O-CG 3.37Å; I642-L646 PolarHBondContact O-N 2.99Å; L643-L646 HydrophobicContact CD2-CD1 4.42Å; L646-A648 VanDerWaalsContact C-N 3.34Å; L646-N649 PolarHBondContact O-N 3.45Å; L646-G650 PolarHBondContact O-N 2.82Å; L646-H651 HydrophobicContact CB-CB 4.37Å; L646-H651 HydrophobicContact CD2-CB 3.63Å; L646-H651 PolarHBondContact O-N 3.48Å; L646-C653 HydrophobicContact CD1-CB 3.97Å; L646-T723 HydrophobicContact CD1-CG2 3.95Å; L646-T723 HydrophobicContact CD2-CG2 4.09Å; L646-T723 WeakPolarHBondContact CD2-OG1 3.29Å; L646-I725 HydrophobicContact CD1-CD1 4.32Å
647	R	92.5	Very high	94.1	Very high	146 Å²	146	43.8 Å²	43.8	55%	0.551	23%	0.23	S	C	*	.	H	α-helix	trans	-63.2	-41.9	175.2	-167.7	-155.8	-171.8	140.8	-9.7	111	L643 R644 D645 N649 G650 Y675 L703	L643-R647 WeakPolarHBondContact O-CB 3.32Å; L643-R647 PolarHBondContact O-N 3.28Å; R644-R647 PolarHBondContact O-N 3.26Å; D645-R647 PolarHBondContact O-N 3.47Å; R647-N649 VanDerWaalsContact C-N 3.31Å; R647-N649 PolarHBondContact O-N 3.08Å; R647-G650 PolarHBondContact O-N 3.44Å; R647-Y675 HydrophobicContact CB-CE1 4.13Å; R647-Y675 HydrophobicContact CG-CE1 4.06Å; R647-L703 HydrophobicContact CB-CD1 4.38Å; R647-L703 HydrophobicContact CB-CD2 4.44Å
648	A	93.9	Very high	93.9	Very high	84 Å²	84	41.4 Å²	41.4	69%	0.694	22%	0.218	S	C	*	.	H	α-helix	trans	-63.1	-38	178.1	0	0	0	0	0	112	R644 D645 L646	R644-A648 PolarHBondContact O-N 2.96Å; D645-A648 PolarHBondContact O-N 3.32Å; L646-A648 VanDerWaalsContact C-N 3.34Å
649	N	92.9	Very high	93.5	Very high	112 Å²	112	41.2 Å²	41.2	60%	0.599	22%	0.216	S	C	*	.	H	α-helix	trans	-85.6	-8.7	179.7	-66.8	-35.6	0	0	0	114.3	D645 L646 R647 H651	D645-N649 PolarHBondContact O-N 3.44Å; D645-N649 PolarHBondContact O-ND2 3.35Å; D645-N649 VanDerWaalsContact O-ND2 3.15Å; L646-N649 PolarHBondContact O-N 3.45Å; R647-N649 VanDerWaalsContact C-N 3.31Å; R647-N649 PolarHBondContact O-N 3.08Å; N649-H651 WeakPolarHBondContact CB-CD2 3.47Å
650	G	91.1	Very high	93.1	Very high	49 Å²	49	43.9 Å²	43.9	51%	0.505	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	30.7	-177.3	0	0	0	0	0	114	L646 R647 R750	L646-G650 PolarHBondContact O-N 2.82Å; R647-G650 PolarHBondContact O-N 3.44Å; G650-R750 PolarHBondContact O-NH1 3.39Å
651	H	94	Very high	92.9	Very high	54 Å²	54	51.6 Å²	51.6	25%	0.25	27%	0.266	C	S	.	.			trans	-90.5	151	173.7	-68.9	-55.7	0	0	0	111	L646 N649 L703 D722	L646-H651 HydrophobicContact CB-CB 4.37Å; L646-H651 HydrophobicContact CD2-CB 3.63Å; L646-H651 PolarHBondContact O-N 3.48Å; N649-H651 WeakPolarHBondContact CB-CD2 3.47Å; H651-L703 WeakPolarHBondContact O-CD1 3.05Å; H651-D722 WeakPolarHBondContact CB-OD1 3.22Å; H651-D722 IonicContact CE1-OD2 3.38Å; H651-D722 IonicContact CG-OD1 3.37Å; H651-D722 IonicContact CG-OD2 3.52Å; H651-D722 IonicContact ND1-OD1 3.89Å; H651-D722 IonicContact ND1-OD2 2.83Å; H651-D722 PolarHBondContact ND1-OD2 2.83Å
652	R	94.2	Very high	92.9	Very high	39 Å²	39	48.8 Å²	48.8	15%	0.147	25%	0.251	C	S	.	.			trans	-115.2	136.9	-179.2	-67.3	-170.9	-66.7	-178.5	-6.5	109.8	F696 I702 L703 G720 D722 T723	R652-F696 HydrophobicContact CB-CZ 4.41Å; R652-F696 PolarHBondContact NH1-O 3.38Å; R652-I702 WeakPolarHBondContact CD-O 3.32Å; R652-L703 WeakPolarHBondContact CA-O 3.45Å; R652-G720 PolarHBondContact NE-O 2.77Å; R652-G720 VanDerWaalsContact NH2-C 3.28Å; R652-G720 PolarHBondContact NH2-O 3.14Å; R652-D722 PolarHBondContact N-OD1 3.42Å; R652-D722 PolarHBondContact O-N 3.42Å; R652-D722 VanDerWaalsContact O-N 3.09Å; R652-T723 PolarHBondContact O-N 2.85Å
653	C	94.9	Very high	92.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	146.7	-172.5	67.2	0	0	0	0	114.7	L643 L646 L703 C704 F705 T723 I725	L643-C653 VanDerWaalsContact CD2-SG 3.51Å; L646-C653 HydrophobicContact CD1-CB 3.97Å; C653-L703 PolarHBondContact N-O 2.96Å; C653-C704 WeakPolarHBondContact O-CA 3.43Å; C653-C704 PolarHBondContact SG-SG 3.41Å; C653-F705 PolarHBondContact O-N 2.75Å; C653-T723 CarbonylContact C-O 3.53Å; C653-T723 WeakPolarHBondContact CA-O 3.43Å; C653-T723 HydrophobicContact CB-CG2 4.29Å; C653-I725 HydrophobicContact CB-CD1 4.23Å
654	L	94.6	Very high	92.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	129.6	165.4	-52.9	-179.9	0	0	0	108.9	F656 F696 F705 L707 L718 A721 T723 V724 I725 C743	L654-F656 HydrophobicContact CB-CE2 4Å; L654-F656 HydrophobicContact CB-CZ 4.31Å; L654-F656 HydrophobicContact CD1-CE2 4.28Å; L654-F656 HydrophobicContact CD1-CZ 4.16Å; L654-F696 HydrophobicContact CD2-CE1 3.88Å; L654-F696 HydrophobicContact CD2-CZ 3.95Å; L654-F705 WeakPolarHBondContact CA-O 3.38Å; L654-F705 HydrophobicContact CD2-CB 3.69Å; L654-F705 HydrophobicContact CD2-CD1 4.32Å; L654-F705 HydrophobicContact CD2-CG 4.39Å; L654-L707 HydrophobicContact CB-CD1 4.01Å; L654-L707 HydrophobicContact CD2-CD1 4.03Å; L654-L707 HydrophobicContact CG-CD1 4.46Å; L654-L718 HydrophobicContact CD1-CB 3.97Å; L654-L718 HydrophobicContact CD1-CD1 3.84Å; L654-L718 HydrophobicContact CD2-CD1 4.31Å; L654-A721 HydrophobicContact CD1-CB 4.04Å; L654-A721 HydrophobicContact CD2-CB 3.65Å; L654-A721 HydrophobicContact CG-CB 3.48Å; L654-A721 VanDerWaalsContact CG-CB 3.48Å; L654-T723 PolarHBondContact N-O 3.45Å; L654-V724 HydrophobicContact CD1-CG2 4.43Å; L654-I725 PolarHBondContact O-N 3.14Å; L654-C743 HydrophobicContact CD1-CB 4.03Å
655	I	95	Very high	92.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115.6	175.1	-57.3	174.1	0	0	0	108.3	L639 L666 F705 I706 L707 I725	L639-I655 HydrophobicContact CD1-CD1 4.5Å; I655-L666 HydrophobicContact CG2-CD1 3.9Å; I655-F705 PolarHBondContact N-O 3.06Å; I655-I706 HydrophobicContact CB-CG2 4.32Å; I655-I706 HydrophobicContact CG2-CG2 4.46Å; I655-L707 PolarHBondContact O-N 3.5Å; I655-I725 WeakPolarHBondContact CA-O 3.26Å; I655-I725 HydrophobicContact CG1-CB 4.39Å; I655-I725 HydrophobicContact CG1-CD1 4.46Å
656	F	93.7	Very high	92.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	131.7	177.6	-71	-67.6	0	0	0	111.3	L654 L707 T709 V724 I725 F726 Y727 A739	L654-F656 HydrophobicContact CB-CE2 4Å; L654-F656 HydrophobicContact CB-CZ 4.31Å; L654-F656 HydrophobicContact CD1-CE2 4.28Å; L654-F656 HydrophobicContact CD1-CZ 4.16Å; F656-L707 WeakPolarHBondContact CA-O 3.13Å; F656-L707 HydrophobicContact CD1-CB 3.77Å; F656-L707 HydrophobicContact CD1-CD1 4.44Å; F656-L707 HydrophobicContact CE1-CB 3.69Å; F656-L707 HydrophobicContact CE1-CD1 3.91Å; F656-L707 HydrophobicContact CE1-CD2 4.38Å; F656-L707 HydrophobicContact CE1-CG 4.21Å; F656-L707 HydrophobicContact CZ-CD1 4.22Å; F656-T709 HydrophobicContact CB-CG2 3.78Å; F656-T709 HydrophobicContact CG-CG2 4.47Å; F656-V724 HydrophobicContact CD2-CG1 3.66Å; F656-V724 HydrophobicContact CE2-CG1 3.62Å; F656-I725 PolarHBondContact N-O 2.99Å; F656-F726 HydrophobicContact CB-CD1 3.74Å; F656-F726 HydrophobicContact CB-CE1 3.95Å; F656-F726 HydrophobicContact CD2-CD1 4.16Å; F656-F726 AromaticContact CD2-CE1 3.71Å; F656-F726 HydrophobicContact CD2-CE1 3.71Å; F656-F726 HydrophobicContact CD2-CZ 4.18Å; F656-F726 HydrophobicContact CG-CD1 4.3Å; F656-F726 HydrophobicContact CG-CE1 4.02Å; F656-Y727 WeakPolarHBondContact O-CB 3.43Å; F656-Y727 PolarHBondContact O-N 3.23Å; F656-A739 HydrophobicContact CD1-CB 4.36Å; F656-A739 HydrophobicContact CD2-CB 4.3Å; F656-A739 HydrophobicContact CE1-CB 4.07Å; F656-A739 HydrophobicContact CE2-CB 3.98Å; F656-A739 HydrophobicContact CG-CB 4.48Å; F656-A739 HydrophobicContact CZ-CB 3.87Å
657	T	92.8	Very high	92.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	150.6	172.9	61.1	0	0	0	0	112	M662 L663 L666 L707 S708 T709 Y727 D728	T657-M662 HydrophobicContact CG2-CB 4.44Å; T657-M662 HydrophobicContact CG2-CG 4.02Å; T657-L663 HydrophobicContact CG2-CD2 4.5Å; T657-L663 WeakPolarHBondContact OG1-CD2 3.32Å; T657-L666 HydrophobicContact CG2-CD1 3.55Å; T657-L707 PolarHBondContact N-O 3.18Å; T657-S708 CarbonylContact O-C 3.52Å; T657-S708 VanDerWaalsContact O-CA 3.23Å; T657-S708 WeakPolarHBondContact O-CA 3.12Å; T657-T709 PolarHBondContact O-N 3.49Å; T657-Y727 HydrophobicContact CG2-CD1 4.4Å; T657-Y727 HydrophobicContact CG2-CG 4.32Å; T657-D728 VanDerWaalsContact C-OD1 3.3Å; T657-D728 WeakPolarHBondContact CA-OD1 3.45Å
658	Q	89	Confident	92.5	Very high	35 Å²	35	39.5 Å²	39.5	16%	0.164	22%	0.221	C	C	.	.	S	Bend	trans	-84.3	-42.7	172.4	-65.1	-70.6	-21.4	0	0	111.4	T709 D728 D730	Q658-T709 HydrophobicContact CG-CG2 4.48Å; Q658-T709 VanDerWaalsContact NE2-CB 3.33Å; Q658-T709 VanDerWaalsContact NE2-CG2 3.31Å; Q658-T709 PolarHBondContact NE2-OG1 3.42Å; Q658-T709 PolarHBondContact OE1-OG1 3.29Å; Q658-D728 VanDerWaalsContact CB-OD2 3.3Å; Q658-D728 WeakPolarHBondContact CB-OD2 2.99Å; Q658-D728 PolarHBondContact N-OD1 2.87Å; Q658-D728 PolarHBondContact N-OD2 3.42Å; Q658-D730 PolarHBondContact NE2-OD2 3.12Å; Q658-D730 PolarHBondContact OE1-OD2 3.17Å
659	M	87.2	Confident	92.5	Very high	26 Å²	26	35.6 Å²	35.6	13%	0.128	19%	0.188	C	C	.	.			trans	-87.2	120.5	-173.9	-60.5	-178.5	-175.8	0	0	111.6	M496 R499 K500 L507 R661 M662	M496-M659 HydrophobicContact SD-CE 3.78Å; R499-M659 HydrophobicContact CB-CE 3.78Å; K500-M659 HydrophobicContact CB-CE 4.48Å; K500-M659 HydrophobicContact CB-SD 4.5Å; K500-M659 HydrophobicContact CG-CE 3.66Å; K500-M659 HydrophobicContact CG-SD 3.64Å; L507-M659 HydrophobicContact CD1-SD 4.11Å; M659-R661 VanDerWaalsContact C-N 3.31Å; M659-R661 PolarHBondContact O-N 3Å; M659-M662 HydrophobicContact CB-CB 4.14Å; M659-M662 VanDerWaalsContact O-CB 3.27Å; M659-M662 WeakPolarHBondContact O-CB 3.3Å; M659-M662 PolarHBondContact O-N 2.92Å
660	A	87.2	Confident	92.6	Very high	56 Å²	56	30.2 Å²	30.2	46%	0.463	16%	0.16	S	C	.	.	H	α-helix	trans	-58.9	-40.2	179.2	0	0	0	0	0	112.8	M662 L663	A660-M662 PolarHBondContact O-N 3.28Å; A660-L663 WeakPolarHBondContact O-CB 3.33Å; A660-L663 WeakPolarHBondContact O-CG 3.29Å; A660-L663 PolarHBondContact O-N 3Å
661	R	89.8	Confident	92.7	Very high	164 Å²	164	32.5 Å²	32.5	62%	0.619	16%	0.16	S	C	*	.	H	α-helix	trans	-63.1	-22	176.5	-66.7	-172.1	65	-176.8	-3	114	L507 M659 L663	L507-R661 HydrophobicContact CD2-CB 3.61Å; M659-R661 VanDerWaalsContact C-N 3.31Å; M659-R661 PolarHBondContact O-N 3Å; R661-L663 VanDerWaalsContact C-N 3.28Å
662	M	93.8	Very high	92.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-70.7	-29.2	173.8	-173.9	63.8	-154.5	0	0	111	N503 H504 L507 L636 T657 M659 A660 D664 I665 L666 Y727	N503-M662 HydrophobicContact CB-SD 4.36Å; H504-M662 HydrophobicContact CB-CE 4.45Å; H504-M662 HydrophobicContact CB-SD 3.97Å; L507-M662 HydrophobicContact CD1-CB 4.31Å; L507-M662 HydrophobicContact CD1-SD 3.95Å; L636-M662 HydrophobicContact CD2-CE 4.16Å; T657-M662 HydrophobicContact CG2-CB 4.44Å; T657-M662 HydrophobicContact CG2-CG 4.02Å; M659-M662 HydrophobicContact CB-CB 4.14Å; M659-M662 VanDerWaalsContact O-CB 3.27Å; M659-M662 WeakPolarHBondContact O-CB 3.3Å; M659-M662 PolarHBondContact O-N 2.92Å; A660-M662 PolarHBondContact O-N 3.28Å; M662-D664 VanDerWaalsContact C-N 3.3Å; M662-D664 PolarHBondContact O-N 3.45Å; M662-I665 HydrophobicContact CE-CB 4.39Å; M662-I665 HydrophobicContact CE-CG2 4.18Å; M662-I665 PolarHBondContact O-N 3.08Å; M662-I665 HydrophobicContact SD-CB 4.32Å; M662-I665 HydrophobicContact SD-CD1 4.37Å; M662-L666 HydrophobicContact CE-CD2 3.85Å; M662-L666 HydrophobicContact CE-CG 3.85Å; M662-L666 HydrophobicContact CG-CD1 4.46Å; M662-L666 HydrophobicContact CG-CG 4.44Å; M662-L666 WeakPolarHBondContact O-CG 3.22Å; M662-L666 PolarHBondContact O-N 3.15Å; M662-Y727 HydrophobicContact CE-CD1 4.15Å; M662-Y727 HydrophobicContact CE-CE1 3.37Å; M662-Y727 HydrophobicContact CE-CE2 4.05Å; M662-Y727 VanDerWaalsContact CE-OH 3.28Å; M662-Y727 WeakPolarHBondContact CE-OH 3.42Å; M662-Y727 HydrophobicContact CG-CD1 4.15Å; M662-Y727 HydrophobicContact CG-CE1 4.06Å; M662-Y727 HydrophobicContact SD-CE1 3.82Å
663	L	92.8	Very high	92.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59	-44.4	175.4	-60.1	173.2	0	0	0	110.4	T657 A660 R661 I665 L666 E667 D681 I706	T657-L663 HydrophobicContact CG2-CD2 4.5Å; T657-L663 WeakPolarHBondContact OG1-CD2 3.32Å; A660-L663 WeakPolarHBondContact O-CB 3.33Å; A660-L663 WeakPolarHBondContact O-CG 3.29Å; A660-L663 PolarHBondContact O-N 3Å; R661-L663 VanDerWaalsContact C-N 3.28Å; L663-I665 VanDerWaalsContact C-N 3.29Å; L663-I665 PolarHBondContact O-N 2.97Å; L663-L666 CarbonylContact O-C 3.51Å; L663-L666 WeakPolarHBondContact O-CB 3.09Å; L663-L666 PolarHBondContact O-N 2.81Å; L663-L666 VanDerWaalsContact O-N 3.11Å; L663-E667 WeakPolarHBondContact O-CG 3.49Å; L663-E667 PolarHBondContact O-N 3.43Å; L663-D681 HydrophobicContact CD1-CB 3.88Å; L663-I706 HydrophobicContact CD2-CB 4.18Å; L663-I706 HydrophobicContact CD2-CG2 3.27Å
664	D	92.7	Very high	92	Very high	65 Å²	65	36.9 Å²	36.9	35%	0.348	20%	0.197	S	C	.	.	H	α-helix	trans	-61	-38.9	178.8	-49.8	-35.4	0	0	0	111.7	M662 E667 I668 R679	M662-D664 VanDerWaalsContact C-N 3.3Å; M662-D664 PolarHBondContact O-N 3.45Å; D664-E667 PolarHBondContact O-N 3.26Å; D664-I668 WeakPolarHBondContact O-CG1 3.42Å; D664-I668 PolarHBondContact O-N 3.03Å; D664-I668 VanDerWaalsContact O-N 3.16Å; D664-R679 IonicContact OD1-CZ 3.01Å; D664-R679 IonicContact OD1-NH1 3.55Å; D664-R679 PolarHBondContact OD1-NH1 3.46Å; D664-R679 IonicContact OD1-NH2 3.48Å; D664-R679 PolarHBondContact OD1-NH2 3.24Å; D664-R679 VanDerWaalsContact OD1-NH2 3.11Å
665	I	92.9	Very high	92	Very high	18 Å²	18	38 Å²	38	9%	0.092	20%	0.202	C	C	.	.	H	α-helix	trans	-67.9	-41	176	-61.7	175.7	0	0	0	110.8	H504 L507 I629 L636 M662 L663 E667 I668 F669	H504-I665 HydrophobicContact CB-CD1 3.99Å; L507-I665 HydrophobicContact CD1-CD1 4.42Å; L507-I665 HydrophobicContact CD2-CD1 3.55Å; L507-I665 HydrophobicContact CG-CD1 3.6Å; I629-I665 HydrophobicContact CG2-CG2 4.1Å; L636-I665 HydrophobicContact CD1-CG2 4.49Å; M662-I665 HydrophobicContact CE-CB 4.39Å; M662-I665 HydrophobicContact CE-CG2 4.18Å; M662-I665 PolarHBondContact O-N 3.08Å; M662-I665 HydrophobicContact SD-CB 4.32Å; M662-I665 HydrophobicContact SD-CD1 4.37Å; L663-I665 VanDerWaalsContact C-N 3.29Å; L663-I665 PolarHBondContact O-N 2.97Å; I665-E667 VanDerWaalsContact C-N 3.31Å; I665-E667 PolarHBondContact O-N 2.97Å; I665-I668 PolarHBondContact O-N 3.47Å; I665-F669 WeakPolarHBondContact O-CB 3.37Å; I665-F669 PolarHBondContact O-N 3.35Å
666	L	94.5	Very high	91.9	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.8	-35.5	175.4	-71.8	174.8	0	0	0	112	L636 L639 I655 T657 M662 L663 F669 L670 I706	L636-L666 HydrophobicContact CD2-CD2 3.81Å; L639-L666 HydrophobicContact CD2-CD2 3.93Å; I655-L666 HydrophobicContact CG2-CD1 3.9Å; T657-L666 HydrophobicContact CG2-CD1 3.55Å; M662-L666 HydrophobicContact CE-CD2 3.85Å; M662-L666 HydrophobicContact CE-CG 3.85Å; M662-L666 HydrophobicContact CG-CD1 4.46Å; M662-L666 HydrophobicContact CG-CG 4.44Å; M662-L666 WeakPolarHBondContact O-CG 3.22Å; M662-L666 PolarHBondContact O-N 3.15Å; L663-L666 CarbonylContact O-C 3.51Å; L663-L666 WeakPolarHBondContact O-CB 3.09Å; L663-L666 PolarHBondContact O-N 2.81Å; L663-L666 VanDerWaalsContact O-N 3.11Å; L666-F669 PolarHBondContact O-N 2.68Å; L666-L670 WeakPolarHBondContact O-CB 2.9Å; L666-L670 VanDerWaalsContact O-CG 3.28Å; L666-L670 WeakPolarHBondContact O-CG 3.16Å; L666-L670 PolarHBondContact O-N 2.93Å; L666-I706 HydrophobicContact CB-CD1 4.03Å; L666-I706 HydrophobicContact CB-CG2 4.48Å; L666-I706 HydrophobicContact CD1-CG2 3.74Å
667	E	94	Very high	92	Very high	42 Å²	42	46.5 Å²	46.5	20%	0.196	24%	0.238	C	C	.	.	H	α-helix	trans	-61.7	-45.9	173.9	-72.2	-170.7	146.3	0	0	111.2	L663 D664 I665 F669 L670 N671 Y677 R679 I706	L663-E667 WeakPolarHBondContact O-CG 3.49Å; L663-E667 PolarHBondContact O-N 3.43Å; D664-E667 PolarHBondContact O-N 3.26Å; I665-E667 VanDerWaalsContact C-N 3.31Å; I665-E667 PolarHBondContact O-N 2.97Å; E667-F669 VanDerWaalsContact C-N 3.33Å; E667-F669 PolarHBondContact O-N 3.14Å; E667-L670 PolarHBondContact O-N 3.33Å; E667-N671 WeakPolarHBondContact O-CB 3.33Å; E667-N671 PolarHBondContact O-N 3.48Å; E667-N671 PolarHBondContact O-ND2 3.29Å; E667-N671 VanDerWaalsContact O-ND2 3.08Å; E667-Y677 HydrophobicContact CB-CE2 4.26Å; E667-Y677 WeakPolarHBondContact CB-OH 3.28Å; E667-Y677 HydrophobicContact CG-CE2 3.58Å; E667-R679 WeakPolarHBondContact OE1-CD 3.41Å; E667-R679 IonicContact OE1-NH1 3.74Å; E667-R679 IonicContact OE2-NH1 2.65Å; E667-R679 PolarHBondContact OE2-NH1 3.36Å; E667-I706 HydrophobicContact CG-CD1 4.19Å
668	I	91.6	Very high	92	Very high	85 Å²	85	47.2 Å²	47.2	44%	0.436	24%	0.242	S	C	.	.	H	α-helix	trans	-61.4	-44	175.9	-60.7	164.4	0	0	0	110.6	I629 D664 I665 N671 H672	I629-I668 HydrophobicContact CD1-CB 4.26Å; I629-I668 HydrophobicContact CD1-CG2 3.32Å; D664-I668 WeakPolarHBondContact O-CG1 3.42Å; D664-I668 PolarHBondContact O-N 3.03Å; D664-I668 VanDerWaalsContact O-N 3.16Å; I665-I668 PolarHBondContact O-N 3.47Å; I668-N671 PolarHBondContact O-N 3.18Å; I668-H672 WeakPolarHBondContact O-CB 3.33Å; I668-H672 PolarHBondContact O-N 2.78Å
669	F	94	Very high	92.2	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.009	25%	0.245	C	C	.	.	H	α-helix	trans	-63.6	-45.9	178.3	169.3	-100.1	0	0	0	113	E630 L636 L639 A640 L643 I665 L666 E667 H672 H673	E630-F669 HydrophobicContact CB-CE2 4.37Å; E630-F669 HydrophobicContact CG-CE2 4.18Å; L636-F669 HydrophobicContact CB-CE2 4.4Å; L636-F669 HydrophobicContact CD1-CD2 4.47Å; L636-F669 HydrophobicContact CD2-CD1 4.35Å; L636-F669 HydrophobicContact CD2-CD2 4.43Å; L636-F669 HydrophobicContact CD2-CG 4.28Å; L639-F669 HydrophobicContact CD2-CD1 4.48Å; L639-F669 HydrophobicContact CD2-CE1 3.93Å; L639-F669 HydrophobicContact CG-CE1 4.32Å; A640-F669 HydrophobicContact CB-CE2 4.22Å; A640-F669 HydrophobicContact CB-CZ 3.86Å; L643-F669 HydrophobicContact CD1-CE1 3.88Å; I665-F669 WeakPolarHBondContact O-CB 3.37Å; I665-F669 PolarHBondContact O-N 3.35Å; L666-F669 PolarHBondContact O-N 2.68Å; E667-F669 VanDerWaalsContact C-N 3.33Å; E667-F669 PolarHBondContact O-N 3.14Å; F669-H672 WeakPolarHBondContact O-CB 3.38Å; F669-H672 PolarHBondContact O-N 3.23Å; F669-H673 AromaticContact CD2-CD2 3.84Å; F669-H673 AromaticContact CD2-NE2 3.78Å; F669-H673 AromaticContact CE2-CD2 3.43Å; F669-H673 VanDerWaalsContact CE2-CD2 3.43Å; F669-H673 WeakPolarHBondContact CE2-CD2 3.49Å; F669-H673 AromaticContact CE2-NE2 3.08Å; F669-H673 WeakPolarHBondContact CE2-NE2 3.45Å; F669-H673 AromaticContact CZ-CD2 3.54Å; F669-H673 AromaticContact CZ-NE2 3.46Å; F669-H673 WeakPolarHBondContact CZ-NE2 3.24Å; F669-H673 PolarHBondContact O-CD2 2.85Å; F669-H673 PolarHBondContact O-N 2.86Å
670	L	94.3	Very high	92.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-69.2	-35.8	178.5	-68.5	177.9	0	0	0	112	L643 L666 E667 H672 H673 G674 Y675 Y677 C704 I706	L643-L670 HydrophobicContact CD1-CD2 3.77Å; L666-L670 WeakPolarHBondContact O-CB 2.9Å; L666-L670 VanDerWaalsContact O-CG 3.28Å; L666-L670 WeakPolarHBondContact O-CG 3.16Å; L666-L670 PolarHBondContact O-N 2.93Å; E667-L670 PolarHBondContact O-N 3.33Å; L670-H672 VanDerWaalsContact C-N 3.34Å; L670-H673 PolarHBondContact O-N 3.49Å; L670-G674 PolarHBondContact O-N 2.7Å; L670-Y675 HydrophobicContact CD2-CD2 3.98Å; L670-Y675 PolarHBondContact O-N 2.68Å; L670-Y677 HydrophobicContact CB-CD1 3.64Å; L670-Y677 HydrophobicContact CB-CE1 3.91Å; L670-Y677 HydrophobicContact CB-CG 4.44Å; L670-Y677 HydrophobicContact CD1-CD1 3.84Å; L670-Y677 HydrophobicContact CD1-CG 3.79Å; L670-Y677 HydrophobicContact CG-CD1 4.41Å; L670-C704 HydrophobicContact CD1-CB 4.18Å; L670-I706 HydrophobicContact CD1-CD1 3.49Å; L670-I706 VanDerWaalsContact CD1-CD1 3.49Å; L670-I706 HydrophobicContact CD1-CG1 3.85Å
671	N	93	Very high	92.2	Very high	97 Å²	97	45.8 Å²	45.8	52%	0.519	22%	0.223	S	C	.	.	H	α-helix	trans	-62.2	-42.3	171.6	-75.7	-27.3	0	0	0	111.1	E667 I668 H673 G674 Y677	E667-N671 WeakPolarHBondContact O-CB 3.33Å; E667-N671 PolarHBondContact O-N 3.48Å; E667-N671 PolarHBondContact O-ND2 3.29Å; E667-N671 VanDerWaalsContact O-ND2 3.08Å; I668-N671 PolarHBondContact O-N 3.18Å; N671-H673 VanDerWaalsContact C-N 3.33Å; N671-H673 PolarHBondContact O-N 2.56Å; N671-G674 PolarHBondContact O-N 3.32Å; N671-Y677 PolarHBondContact ND2-OH 3.45Å; N671-Y677 VanDerWaalsContact OD1-CE1 3.29Å; N671-Y677 WeakPolarHBondContact OD1-CE1 3.41Å; N671-Y677 PolarHBondContact OD1-OH 3.46Å
672	H	88.9	Confident	91.7	Very high	78 Å²	78	40.5 Å²	40.5	36%	0.361	22%	0.219	S	C	.	.	H	α-helix	trans	-59.5	-41.3	177.8	178.3	75.6	0	0	0	112.4	S626 I668 F669 L670 G674	S626-H672 PolarHBondContact OG-CE1 2.82Å; S626-H672 PolarHBondContact OG-ND1 3.3Å; I668-H672 WeakPolarHBondContact O-CB 3.33Å; I668-H672 PolarHBondContact O-N 2.78Å; F669-H672 WeakPolarHBondContact O-CB 3.38Å; F669-H672 PolarHBondContact O-N 3.23Å; L670-H672 VanDerWaalsContact C-N 3.34Å; H672-G674 VanDerWaalsContact C-N 3.33Å
673	H	90.1	Very high	91.2	Very high	50 Å²	50	44.1 Å²	44.1	23%	0.231	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-5.3	175.6	-69.4	-68.5	0	0	0	114.6	E630 F669 L670 N671 Y675	E630-H673 IonicContact OE2-CE1 3.45Å; E630-H673 PolarHBondContact OE2-CE1 3.29Å; E630-H673 IonicContact OE2-NE2 3.36Å; F669-H673 AromaticContact CD2-CD2 3.84Å; F669-H673 AromaticContact CD2-NE2 3.78Å; F669-H673 AromaticContact CE2-CD2 3.43Å; F669-H673 VanDerWaalsContact CE2-CD2 3.43Å; F669-H673 WeakPolarHBondContact CE2-CD2 3.49Å; F669-H673 AromaticContact CE2-NE2 3.08Å; F669-H673 WeakPolarHBondContact CE2-NE2 3.45Å; F669-H673 AromaticContact CZ-CD2 3.54Å; F669-H673 AromaticContact CZ-NE2 3.46Å; F669-H673 WeakPolarHBondContact CZ-NE2 3.24Å; F669-H673 PolarHBondContact O-CD2 2.85Å; F669-H673 PolarHBondContact O-N 2.86Å; L670-H673 PolarHBondContact O-N 3.49Å; N671-H673 VanDerWaalsContact C-N 3.33Å; N671-H673 PolarHBondContact O-N 2.56Å; H673-Y675 HydrophobicContact CB-CD2 3.45Å; H673-Y675 VanDerWaalsContact CB-CD2 3.45Å; H673-Y675 HydrophobicContact CB-CE2 3.36Å; H673-Y675 HydrophobicContact CB-CG 4.47Å; H673-Y675 AromaticContact CG-CE2 4Å
674	G	90.3	Very high	90.7	Very high	56 Å²	56	45.2 Å²	45.2	58%	0.577	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	29.5	-179.8	0	0	0	0	0	114.7	L670 N671 H672	L670-G674 PolarHBondContact O-N 2.7Å; N671-G674 PolarHBondContact O-N 3.32Å; H672-G674 VanDerWaalsContact C-N 3.33Å
675	Y	93.7	Very high	89.8	Confident	23 Å²	23	44.3 Å²	44.3	9%	0.09	26%	0.262	C	S	.	.			trans	-84.5	138	175.7	-67.1	-63.6	0	0	0	111.7	L643 R647 L670 H673 Y677 L703	L643-Y675 HydrophobicContact CB-CE2 4.25Å; L643-Y675 HydrophobicContact CD1-CE2 4.48Å; R647-Y675 HydrophobicContact CB-CE1 4.13Å; R647-Y675 HydrophobicContact CG-CE1 4.06Å; L670-Y675 HydrophobicContact CD2-CD2 3.98Å; L670-Y675 PolarHBondContact O-N 2.68Å; H673-Y675 HydrophobicContact CB-CD2 3.45Å; H673-Y675 VanDerWaalsContact CB-CD2 3.45Å; H673-Y675 HydrophobicContact CB-CE2 3.36Å; H673-Y675 HydrophobicContact CB-CG 4.47Å; H673-Y675 AromaticContact CG-CE2 4Å; Y675-Y677 WeakPolarHBondContact O-CD1 3.45Å; Y675-L703 HydrophobicContact CD1-CD2 3.35Å; Y675-L703 HydrophobicContact CE1-CD2 3.51Å; Y675-L703 HydrophobicContact CG-CD2 4.02Å
676	K	94.2	Very high	88.9	Confident	127 Å²	127	46.3 Å²	46.3	55%	0.552	28%	0.275	S	S	*	.			trans	-79.7	126.3	170.8	-67.6	-174.5	178.8	-176.1	0	110	L703 C704	K676-L703 PolarHBondContact O-N 3.08Å; K676-L703 VanDerWaalsContact O-N 3.15Å; K676-C704 PolarHBondContact O-N 2.9Å
677	Y	94.8	Very high	88.1	Confident	53 Å²	53	53.9 Å²	53.9	21%	0.208	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	166.2	-179.9	66.1	-90.6	0	0	0	113.3	E667 L670 N671 Y675 C704 I706	E667-Y677 HydrophobicContact CB-CE2 4.26Å; E667-Y677 WeakPolarHBondContact CB-OH 3.28Å; E667-Y677 HydrophobicContact CG-CE2 3.58Å; L670-Y677 HydrophobicContact CB-CD1 3.64Å; L670-Y677 HydrophobicContact CB-CE1 3.91Å; L670-Y677 HydrophobicContact CB-CG 4.44Å; L670-Y677 HydrophobicContact CD1-CD1 3.84Å; L670-Y677 HydrophobicContact CD1-CG 3.79Å; L670-Y677 HydrophobicContact CG-CD1 4.41Å; N671-Y677 PolarHBondContact ND2-OH 3.45Å; N671-Y677 VanDerWaalsContact OD1-CE1 3.29Å; N671-Y677 WeakPolarHBondContact OD1-CE1 3.41Å; N671-Y677 PolarHBondContact OD1-OH 3.46Å; Y675-Y677 WeakPolarHBondContact O-CD1 3.45Å; Y677-C704 WeakPolarHBondContact CA-O 3.32Å; Y677-C704 WeakPolarHBondContact CB-O 3.4Å; Y677-I706 HydrophobicContact CD2-CD1 3.88Å; Y677-I706 HydrophobicContact CD2-CG1 4.32Å; Y677-I706 HydrophobicContact CE2-CD1 4.34Å; Y677-I706 HydrophobicContact CG-CD1 4.32Å
678	L	93.8	Very high	87.6	Confident	15 Å²	15	60.1 Å²	60.1	8%	0.079	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	152.6	166.2	-63.8	173.9	0	0	0	109.4	L692 F696 I702 C704 F705 I706	L678-L692 WeakPolarHBondContact CD1-O 3.47Å; L678-L692 HydrophobicContact CD2-CD2 4.19Å; L678-F696 HydrophobicContact CD1-CB 3.94Å; L678-F696 HydrophobicContact CD1-CD2 4.48Å; L678-I702 HydrophobicContact CD1-CD1 3.69Å; L678-I702 HydrophobicContact CD1-CG2 4.37Å; L678-I702 HydrophobicContact CD2-CD1 4.22Å; L678-I702 HydrophobicContact CG-CD1 3.9Å; L678-I702 HydrophobicContact CG-CG2 4.06Å; L678-C704 PolarHBondContact N-O 3.07Å; L678-C704 VanDerWaalsContact N-O 3.15Å; L678-F705 HydrophobicContact CB-CD2 3.75Å; L678-F705 HydrophobicContact CB-CE2 3.77Å; L678-F705 HydrophobicContact CB-CG 4.33Å; L678-F705 HydrophobicContact CB-CZ 4.41Å; L678-F705 VanDerWaalsContact O-CD2 3.3Å; L678-F705 WeakPolarHBondContact O-CD2 3.46Å; L678-I706 PolarHBondContact O-N 2.85Å
679	R	92.6	Very high	87.2	Confident	63 Å²	63	57.8 Å²	57.8	24%	0.238	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.6	177.7	169.9	175.2	168.6	160.1	7.4	110.4	D664 E667 D681 I706	D664-R679 IonicContact OD1-CZ 3.01Å; D664-R679 IonicContact OD1-NH1 3.55Å; D664-R679 PolarHBondContact OD1-NH1 3.46Å; D664-R679 IonicContact OD1-NH2 3.48Å; D664-R679 PolarHBondContact OD1-NH2 3.24Å; D664-R679 VanDerWaalsContact OD1-NH2 3.11Å; E667-R679 WeakPolarHBondContact OE1-CD 3.41Å; E667-R679 IonicContact OE1-NH1 3.74Å; E667-R679 IonicContact OE2-NH1 2.65Å; E667-R679 PolarHBondContact OE2-NH1 3.36Å; R679-D681 IonicContact CZ-OD2 2.76Å; R679-D681 IonicContact NE-OD2 3.98Å; R679-D681 PolarHBondContact NE-OD2 3.15Å; R679-D681 IonicContact NH2-OD2 3.59Å; R679-D681 PolarHBondContact NH2-OD2 3.34Å; R679-I706 WeakPolarHBondContact CA-O 3.34Å
680	L	89.1	Confident	86.5	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	110.9	171.5	-169.7	159	0	0	0	110.8	R689 M693 F705 I706 L707 S708 S711	L680-R689 HydrophobicContact CD1-CB 4.2Å; L680-R689 HydrophobicContact CD1-CG 4.11Å; L680-R689 HydrophobicContact CG-CG 4.24Å; L680-M693 HydrophobicContact CD1-CE 3.55Å; L680-M693 HydrophobicContact CD1-CG 4.23Å; L680-M693 HydrophobicContact CD1-SD 3.91Å; L680-F705 HydrophobicContact CB-CE2 3.53Å; L680-F705 HydrophobicContact CB-CZ 3.83Å; L680-F705 HydrophobicContact CD1-CE2 4.44Å; L680-F705 HydrophobicContact CD1-CZ 3.86Å; L680-I706 PolarHBondContact N-O 3.25Å; L680-L707 HydrophobicContact CB-CD2 4.29Å; L680-L707 WeakPolarHBondContact O-CA 3.44Å; L680-S708 PolarHBondContact O-N 3Å; L680-S711 VanDerWaalsContact CD2-CB 3.49Å
681	D	86.2	Confident	86.2	Confident	22 Å²	22	65.4 Å²	65.4	12%	0.118	36%	0.36	C	S	.	.			trans	-119.6	-178.4	177.9	61	23.2	0	0	0	111.7	L663 R679 A683 T684 S711	L663-D681 HydrophobicContact CD1-CB 3.88Å; R679-D681 IonicContact CZ-OD2 2.76Å; R679-D681 IonicContact NE-OD2 3.98Å; R679-D681 PolarHBondContact NE-OD2 3.15Å; R679-D681 IonicContact NH2-OD2 3.59Å; R679-D681 PolarHBondContact NH2-OD2 3.34Å; D681-A683 PolarHBondContact O-N 3.11Å; D681-A683 WeakPolarHBondContact OD1-CB 3.34Å; D681-A683 PolarHBondContact OD1-N 3.33Å; D681-T684 PolarHBondContact O-OG1 2.92Å; D681-T684 WeakPolarHBondContact OD1-CG2 3.41Å; D681-T684 PolarHBondContact OD1-N 3.27Å; D681-S711 VanDerWaalsContact C-OG 3.26Å; D681-S711 PolarHBondContact O-OG 3.43Å
682	G	79	Confident	86	Confident	53 Å²	53	61.8 Å²	61.8	55%	0.546	34%	0.34	S	S	.	.	S	Bend	trans	-68.2	-20.6	178.5	0	0	0	0	0	114.1	R689 S711	G682-R689 PolarHBondContact O-NH2 3.37Å; G682-S711 WeakPolarHBondContact CA-OG 3.13Å; G682-S711 PolarHBondContact N-OG 3.07Å; G682-S711 VanDerWaalsContact N-OG 3.09Å
683	A	82.4	Confident	85.8	Confident	77 Å²	77	58.3 Å²	58.3	64%	0.636	32%	0.324	S	S	*	.	S	Bend	trans	-80.9	-24.8	-178.8	0	0	0	0	0	112.2	D681 G685	D681-A683 PolarHBondContact O-N 3.11Å; D681-A683 WeakPolarHBondContact OD1-CB 3.34Å; D681-A683 PolarHBondContact OD1-N 3.33Å; A683-G685 PolarHBondContact O-N 3.47Å
684	T	81.8	Confident	85.7	Confident	22 Å²	22	60.1 Å²	60.1	14%	0.135	33%	0.333	C	S	.	.	S	Bend	trans	-56.5	125.8	172.2	58.5	0	0	0	0	112	D681 R689 L692	D681-T684 PolarHBondContact O-OG1 2.92Å; D681-T684 WeakPolarHBondContact OD1-CG2 3.41Å; D681-T684 PolarHBondContact OD1-N 3.27Å; T684-R689 VanDerWaalsContact O-CZ 3.25Å; T684-R689 PolarHBondContact O-NE 3.2Å; T684-R689 PolarHBondContact O-NH2 3.37Å; T684-R689 VanDerWaalsContact OG1-CG 3.3Å; T684-R689 WeakPolarHBondContact OG1-CG 3.44Å; T684-R689 PolarHBondContact OG1-NE 3Å; T684-R689 VanDerWaalsContact OG1-NE 3.09Å; T684-L692 HydrophobicContact CG2-CD1 4.5Å
685	G	75.1	Confident	85.7	Confident	46 Å²	46	64.1 Å²	64.1	47%	0.474	33%	0.33	S	S	.	.			trans	-60.8	151	173.6	0	0	0	0	0	112.4	A683 E687 R688 R689	A683-G685 PolarHBondContact O-N 3.47Å; G685-E687 VanDerWaalsContact C-N 3.32Å; G685-E687 PolarHBondContact O-N 2.98Å; G685-R688 PolarHBondContact O-N 3.15Å; G685-R689 WeakPolarHBondContact O-CG 3.46Å; G685-R689 PolarHBondContact O-N 3.05Å
686	V	74.6	Confident	85.6	Confident	60 Å²	60	63 Å²	63	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-59.7	-39.4	-172.4	-178.3	0	0	0	0	112.4	L281 R689	L281-V686 HydrophobicContact CD1-CG1 4.03Å; V686-R689 PolarHBondContact O-N 3.43Å
687	E	76.9	Confident	85.3	Confident	159 Å²	159	59.5 Å²	59.5	74%	0.743	31%	0.313	S	S	*	.	H	α-helix	trans	-66.1	-43.8	179.4	-63.7	176.4	-177.5	0	0	111.8	G685 R689 Q690	G685-E687 VanDerWaalsContact C-N 3.32Å; G685-E687 PolarHBondContact O-N 2.98Å; E687-R689 VanDerWaalsContact C-N 3.29Å; E687-R689 PolarHBondContact O-N 3.13Å; E687-Q690 PolarHBondContact O-N 3.37Å
688	R	83.7	Confident	85	Confident	174 Å²	174	64.2 Å²	64.2	66%	0.657	34%	0.337	S	S	*	.	H	α-helix	trans	-65.2	-31.4	178.9	-170.3	172.4	-180	176.3	-0.1	112.6	G685 Q690 V691 L692	G685-R688 PolarHBondContact O-N 3.15Å; R688-Q690 VanDerWaalsContact C-N 3.34Å; R688-Q690 PolarHBondContact O-N 3.47Å; R688-V691 PolarHBondContact O-N 3.46Å; R688-L692 HydrophobicContact CG-CD1 4.18Å; R688-L692 HydrophobicContact CG-CG 4.34Å; R688-L692 WeakPolarHBondContact O-CG 3.4Å; R688-L692 PolarHBondContact O-N 2.87Å
689	R	82.1	Confident	84.9	Confident	36 Å²	36	65.7 Å²	65.7	14%	0.136	35%	0.345	C	S	.	.	H	α-helix	trans	-58.7	-46	177.8	-70.1	176.2	-164.8	-169.1	3.8	111.6	L680 G682 T684 G685 V686 E687 V691 L692 M693	L680-R689 HydrophobicContact CD1-CB 4.2Å; L680-R689 HydrophobicContact CD1-CG 4.11Å; L680-R689 HydrophobicContact CG-CG 4.24Å; G682-R689 PolarHBondContact O-NH2 3.37Å; T684-R689 VanDerWaalsContact O-CZ 3.25Å; T684-R689 PolarHBondContact O-NE 3.2Å; T684-R689 PolarHBondContact O-NH2 3.37Å; T684-R689 VanDerWaalsContact OG1-CG 3.3Å; T684-R689 WeakPolarHBondContact OG1-CG 3.44Å; T684-R689 PolarHBondContact OG1-NE 3Å; T684-R689 VanDerWaalsContact OG1-NE 3.09Å; G685-R689 WeakPolarHBondContact O-CG 3.46Å; G685-R689 PolarHBondContact O-N 3.05Å; V686-R689 PolarHBondContact O-N 3.43Å; E687-R689 VanDerWaalsContact C-N 3.29Å; E687-R689 PolarHBondContact O-N 3.13Å; R689-V691 PolarHBondContact O-N 3.38Å; R689-L692 PolarHBondContact O-N 3.44Å; R689-M693 HydrophobicContact CB-SD 4.33Å; R689-M693 WeakPolarHBondContact O-CB 3.08Å; R689-M693 WeakPolarHBondContact O-CG 3.43Å; R689-M693 PolarHBondContact O-N 3.48Å; R689-M693 VanDerWaalsContact O-N 3.09Å
690	Q	80.5	Confident	84.8	Confident	71 Å²	71	72.8 Å²	72.8	33%	0.332	37%	0.372	S	S	.	.	H	α-helix	trans	-61.9	-45.9	-179.3	-174.8	63	20.6	0	0	111.3	E687 R688 L692 M693 E694	E687-Q690 PolarHBondContact O-N 3.37Å; R688-Q690 VanDerWaalsContact C-N 3.34Å; R688-Q690 PolarHBondContact O-N 3.47Å; Q690-L692 PolarHBondContact O-N 3.06Å; Q690-M693 PolarHBondContact O-N 3.34Å; Q690-M693 VanDerWaalsContact O-N 3.12Å; Q690-E694 WeakPolarHBondContact CG-OE1 3.43Å; Q690-E694 PolarHBondContact NE2-OE1 3.36Å; Q690-E694 PolarHBondContact O-N 3.47Å
691	V	87.4	Confident	84.9	Confident	91 Å²	91	81.9 Å²	81.9	55%	0.552	41%	0.406	S	S	*	.	H	α-helix	trans	-60.6	-43.1	178	179.7	0	0	0	0	111.8	R688 R689 M693 R695	R688-V691 PolarHBondContact O-N 3.46Å; R689-V691 PolarHBondContact O-N 3.38Å; V691-M693 VanDerWaalsContact C-N 3.26Å; V691-M693 PolarHBondContact O-N 3.27Å; V691-R695 VanDerWaalsContact O-CB 3.24Å; V691-R695 WeakPolarHBondContact O-CB 3.32Å; V691-R695 PolarHBondContact O-N 3.45Å
692	L	88.9	Confident	85.2	Confident	21 Å²	21	81.1 Å²	81.1	11%	0.11	40%	0.402	C	S	.	.	H	α-helix	trans	-63.1	-34.7	177.1	-70	170.8	0	0	0	112.2	L678 T684 R688 R689 Q690 F696 F705	L678-L692 WeakPolarHBondContact CD1-O 3.47Å; L678-L692 HydrophobicContact CD2-CD2 4.19Å; T684-L692 HydrophobicContact CG2-CD1 4.5Å; R688-L692 HydrophobicContact CG-CD1 4.18Å; R688-L692 HydrophobicContact CG-CG 4.34Å; R688-L692 WeakPolarHBondContact O-CG 3.4Å; R688-L692 PolarHBondContact O-N 2.87Å; R689-L692 PolarHBondContact O-N 3.44Å; Q690-L692 PolarHBondContact O-N 3.06Å; L692-F696 PolarHBondContact O-N 2.82Å; L692-F705 HydrophobicContact CB-CZ 4.41Å
693	M	85.2	Confident	85.9	Confident	5 Å²	5	79.7 Å²	79.7	3%	0.025	38%	0.382	C	S	.	.	H	α-helix	trans	-76.6	-42.4	-178.2	-71.1	157.8	139.1	0	0	112.1	L680 R689 Q690 V691 R695 F696 N697 F705 V716 L718	L680-M693 HydrophobicContact CD1-CE 3.55Å; L680-M693 HydrophobicContact CD1-CG 4.23Å; L680-M693 HydrophobicContact CD1-SD 3.91Å; R689-M693 HydrophobicContact CB-SD 4.33Å; R689-M693 WeakPolarHBondContact O-CB 3.08Å; R689-M693 WeakPolarHBondContact O-CG 3.43Å; R689-M693 PolarHBondContact O-N 3.48Å; R689-M693 VanDerWaalsContact O-N 3.09Å; Q690-M693 PolarHBondContact O-N 3.34Å; Q690-M693 VanDerWaalsContact O-N 3.12Å; V691-M693 VanDerWaalsContact C-N 3.26Å; V691-M693 PolarHBondContact O-N 3.27Å; M693-R695 VanDerWaalsContact C-N 3.33Å; M693-F696 PolarHBondContact O-N 3.13Å; M693-N697 PolarHBondContact O-N 2.66Å; M693-N697 PolarHBondContact O-ND2 3.22Å; M693-F705 HydrophobicContact CG-CE1 4.08Å; M693-F705 HydrophobicContact CG-CZ 4.34Å; M693-V716 HydrophobicContact CB-CG1 4.07Å; M693-V716 HydrophobicContact CE-CB 3.3Å; M693-V716 HydrophobicContact CE-CG1 3.56Å; M693-V716 HydrophobicContact CE-CG2 3.57Å; M693-V716 HydrophobicContact CG-CG1 4.02Å; M693-V716 HydrophobicContact SD-CB 3.58Å; M693-V716 VanDerWaalsContact SD-CB 3.58Å; M693-V716 HydrophobicContact SD-CG1 3.19Å; M693-V716 WeakPolarHBondContact SD-CG1 3.12Å; M693-V716 HydrophobicContact SD-CG2 3.58Å; M693-V716 VanDerWaalsContact SD-CG2 3.58Å; M693-L718 HydrophobicContact CE-CD2 4.29Å; M693-L718 HydrophobicContact CG-CD2 4.05Å
694	E	86.6	Confident	86.5	Confident	88 Å²	88	76 Å²	76	41%	0.411	35%	0.351	S	S	.	.	H	α-helix	trans	-59.2	-47.2	170.4	-73.9	168	-175.5	0	0	110.3	Q690 F696 N697 E698	Q690-E694 WeakPolarHBondContact CG-OE1 3.43Å; Q690-E694 PolarHBondContact NE2-OE1 3.36Å; Q690-E694 PolarHBondContact O-N 3.47Å; E694-F696 VanDerWaalsContact C-N 3.31Å; E694-F696 PolarHBondContact O-N 3.06Å; E694-N697 PolarHBondContact O-N 3.14Å; E694-E698 WeakPolarHBondContact O-CB 3.46Å; E694-E698 WeakPolarHBondContact O-CG 3.22Å; E694-E698 PolarHBondContact O-N 3.32Å
695	R	91.6	Very high	87.1	Confident	139 Å²	139	75 Å²	75	53%	0.525	35%	0.345	S	S	.	.	H	α-helix	trans	-56.7	-40.7	175.2	-174.9	177.2	-178.9	176.6	1.5	113.1	V691 M693 D699 I702	V691-R695 VanDerWaalsContact O-CB 3.24Å; V691-R695 WeakPolarHBondContact O-CB 3.32Å; V691-R695 PolarHBondContact O-N 3.45Å; M693-R695 VanDerWaalsContact C-N 3.33Å; R695-D699 VanDerWaalsContact O-CB 3.27Å; R695-D699 WeakPolarHBondContact O-CB 3.48Å; R695-D699 PolarHBondContact O-N 2.88Å; R695-I702 HydrophobicContact CG-CD1 4.22Å
696	F	91.4	Very high	87.9	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-67.5	-38.2	176.3	-178.2	-106.5	0	0	0	112.6	R652 L654 L678 L692 M693 E694 I702 F705 L718 A721	R652-F696 HydrophobicContact CB-CZ 4.41Å; R652-F696 PolarHBondContact NH1-O 3.38Å; L654-F696 HydrophobicContact CD2-CE1 3.88Å; L654-F696 HydrophobicContact CD2-CZ 3.95Å; L678-F696 HydrophobicContact CD1-CB 3.94Å; L678-F696 HydrophobicContact CD1-CD2 4.48Å; L692-F696 PolarHBondContact O-N 2.82Å; M693-F696 PolarHBondContact O-N 3.13Å; E694-F696 VanDerWaalsContact C-N 3.31Å; E694-F696 PolarHBondContact O-N 3.06Å; F696-I702 HydrophobicContact CD2-CB 4.39Å; F696-I702 HydrophobicContact CD2-CG2 3.96Å; F696-I702 HydrophobicContact CE2-CG2 4.24Å; F696-F705 HydrophobicContact CB-CD1 3.97Å; F696-F705 HydrophobicContact CB-CE1 4.11Å; F696-F705 AromaticContact CD1-CD1 3.91Å; F696-F705 HydrophobicContact CD1-CD1 3.91Å; F696-F705 HydrophobicContact CD2-CB 3.98Å; F696-F705 AromaticContact CD2-CD1 3.98Å; F696-F705 HydrophobicContact CD2-CD1 3.98Å; F696-F705 HydrophobicContact CD2-CG 4.29Å; F696-F705 HydrophobicContact CE1-CD1 4.42Å; F696-F705 HydrophobicContact CE2-CB 3.81Å; F696-F705 HydrophobicContact CE2-CD1 4.49Å; F696-F705 HydrophobicContact CG-CB 4.47Å; F696-F705 AromaticContact CG-CD1 3.66Å; F696-F705 HydrophobicContact CG-CD1 3.66Å; F696-F705 HydrophobicContact CG-CE1 4.29Å; F696-F705 HydrophobicContact CG-CG 4.42Å; F696-F705 HydrophobicContact CZ-CB 4.15Å; F696-L718 HydrophobicContact CD1-CD2 4.35Å; F696-A721 HydrophobicContact CE1-CB 3.93Å; F696-A721 HydrophobicContact CZ-CB 3.99Å
697	N	87.3	Confident	88.8	Confident	53 Å²	53	69.9 Å²	69.9	28%	0.283	31%	0.305	S	S	.	.	H	α-helix	trans	-71.7	-37.1	179.2	-72	-34.9	0	0	0	111.6	M693 E694 N717 G720	M693-N697 PolarHBondContact O-N 2.66Å; M693-N697 PolarHBondContact O-ND2 3.22Å; E694-N697 PolarHBondContact O-N 3.14Å; N697-N717 PolarHBondContact ND2-O 3.44Å; N697-N717 VanDerWaalsContact ND2-O 3.14Å; N697-G720 PolarHBondContact OD1-N 3.09Å; N697-G720 VanDerWaalsContact OD1-N 3.11Å
698	E	89.7	Confident	89.3	Confident	153 Å²	153	63 Å²	63	72%	0.715	27%	0.274	S	S	*	.	H	α-helix	trans	-76.8	-50.2	178.6	-69.7	174.3	-178.6	0	0	113	E694 R700	E694-E698 WeakPolarHBondContact O-CB 3.46Å; E694-E698 WeakPolarHBondContact O-CG 3.22Å; E694-E698 PolarHBondContact O-N 3.32Å; E698-R700 PolarHBondContact O-N 3.31Å
699	D	91.7	Very high	89.3	Confident	46 Å²	46	54.7 Å²	54.7	25%	0.246	24%	0.243	C	C	.	.			trans	-86.2	107.4	-173.4	-166.8	-1.3	0	0	0	111.8	R695 R701 I702	R695-D699 VanDerWaalsContact O-CB 3.27Å; R695-D699 WeakPolarHBondContact O-CB 3.48Å; R695-D699 PolarHBondContact O-N 2.88Å; D699-R701 PolarHBondContact O-N 2.94Å; D699-R701 VanDerWaalsContact OD1-CB 3.28Å; D699-R701 WeakPolarHBondContact OD1-CB 3.38Å; D699-R701 VanDerWaalsContact OD1-CG 3.28Å; D699-R701 WeakPolarHBondContact OD1-CG 3.36Å; D699-R701 PolarHBondContact OD1-N 3.17Å; D699-I702 HydrophobicContact CB-CD1 3.94Å; D699-I702 HydrophobicContact CB-CG1 4.16Å
700	R	89.1	Confident	89	Confident	212 Å²	212	58.8 Å²	58.8	80%	0.8	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-12.1	177.4	-62.8	-173.6	-178.5	-173	0.8	113.8	E698 I702	E698-R700 PolarHBondContact O-N 3.31Å; R700-I702 VanDerWaalsContact C-N 3.26Å; R700-I702 PolarHBondContact O-N 3.26Å
701	R	91.4	Very high	88.6	Confident	192 Å²	192	55.9 Å²	55.9	73%	0.725	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-17.7	-178.8	-56.7	172.1	-164.6	-178.1	4.5	112.6	D699 L703	D699-R701 PolarHBondContact O-N 2.94Å; D699-R701 VanDerWaalsContact OD1-CB 3.28Å; D699-R701 WeakPolarHBondContact OD1-CB 3.38Å; D699-R701 VanDerWaalsContact OD1-CG 3.28Å; D699-R701 WeakPolarHBondContact OD1-CG 3.36Å; D699-R701 PolarHBondContact OD1-N 3.17Å; R701-L703 PolarHBondContact O-N 3.42Å
702	I	93.6	Very high	87.5	Confident	6 Å²	6	51.6 Å²	51.6	3%	0.031	22%	0.22	C	C	.	.			trans	-82.5	112.4	179.8	-55.6	178	0	0	0	107.5	R652 L678 R695 F696 D699 R700	R652-I702 WeakPolarHBondContact CD-O 3.32Å; L678-I702 HydrophobicContact CD1-CD1 3.69Å; L678-I702 HydrophobicContact CD1-CG2 4.37Å; L678-I702 HydrophobicContact CD2-CD1 4.22Å; L678-I702 HydrophobicContact CG-CD1 3.9Å; L678-I702 HydrophobicContact CG-CG2 4.06Å; R695-I702 HydrophobicContact CG-CD1 4.22Å; F696-I702 HydrophobicContact CD2-CB 4.39Å; F696-I702 HydrophobicContact CD2-CG2 3.96Å; F696-I702 HydrophobicContact CE2-CG2 4.24Å; D699-I702 HydrophobicContact CB-CD1 3.94Å; D699-I702 HydrophobicContact CB-CG1 4.16Å; R700-I702 VanDerWaalsContact C-N 3.26Å; R700-I702 PolarHBondContact O-N 3.26Å
703	L	93.3	Very high	86.3	Confident	22 Å²	22	50.7 Å²	50.7	12%	0.115	22%	0.216	C	C	.	.			trans	-78	-46.6	-177.7	-174.1	82	0	0	0	110.9	R647 H651 R652 C653 Y675 K676 R701	R647-L703 HydrophobicContact CB-CD1 4.38Å; R647-L703 HydrophobicContact CB-CD2 4.44Å; H651-L703 WeakPolarHBondContact O-CD1 3.05Å; R652-L703 WeakPolarHBondContact CA-O 3.45Å; C653-L703 PolarHBondContact N-O 2.96Å; Y675-L703 HydrophobicContact CD1-CD2 3.35Å; Y675-L703 HydrophobicContact CE1-CD2 3.51Å; Y675-L703 HydrophobicContact CG-CD2 4.02Å; K676-L703 PolarHBondContact O-N 3.08Å; K676-L703 VanDerWaalsContact O-N 3.15Å; R701-L703 PolarHBondContact O-N 3.42Å
704	C	94.3	Very high	85.2	Confident	0 Å²	0	53 Å²	53	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.5	-168.4	-55.8	0	0	0	0	111.8	C653 L670 K676 Y677 L678	C653-C704 WeakPolarHBondContact O-CA 3.43Å; C653-C704 PolarHBondContact SG-SG 3.41Å; L670-C704 HydrophobicContact CD1-CB 4.18Å; K676-C704 PolarHBondContact O-N 2.9Å; Y677-C704 WeakPolarHBondContact CA-O 3.32Å; Y677-C704 WeakPolarHBondContact CB-O 3.4Å; L678-C704 PolarHBondContact N-O 3.07Å; L678-C704 VanDerWaalsContact N-O 3.15Å
705	F	94	Very high	84	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	116.7	163.9	-161.3	168.8	0	0	0	108.3	C653 L654 I655 L678 L680 L692 M693 F696 L707 L718	C653-F705 PolarHBondContact O-N 2.75Å; L654-F705 WeakPolarHBondContact CA-O 3.38Å; L654-F705 HydrophobicContact CD2-CB 3.69Å; L654-F705 HydrophobicContact CD2-CD1 4.32Å; L654-F705 HydrophobicContact CD2-CG 4.39Å; I655-F705 PolarHBondContact N-O 3.06Å; L678-F705 HydrophobicContact CB-CD2 3.75Å; L678-F705 HydrophobicContact CB-CE2 3.77Å; L678-F705 HydrophobicContact CB-CG 4.33Å; L678-F705 HydrophobicContact CB-CZ 4.41Å; L678-F705 VanDerWaalsContact O-CD2 3.3Å; L678-F705 WeakPolarHBondContact O-CD2 3.46Å; L680-F705 HydrophobicContact CB-CE2 3.53Å; L680-F705 HydrophobicContact CB-CZ 3.83Å; L680-F705 HydrophobicContact CD1-CE2 4.44Å; L680-F705 HydrophobicContact CD1-CZ 3.86Å; L692-F705 HydrophobicContact CB-CZ 4.41Å; M693-F705 HydrophobicContact CG-CE1 4.08Å; M693-F705 HydrophobicContact CG-CZ 4.34Å; F696-F705 HydrophobicContact CB-CD1 3.97Å; F696-F705 HydrophobicContact CB-CE1 4.11Å; F696-F705 AromaticContact CD1-CD1 3.91Å; F696-F705 HydrophobicContact CD1-CD1 3.91Å; F696-F705 HydrophobicContact CD2-CB 3.98Å; F696-F705 AromaticContact CD2-CD1 3.98Å; F696-F705 HydrophobicContact CD2-CD1 3.98Å; F696-F705 HydrophobicContact CD2-CG 4.29Å; F696-F705 HydrophobicContact CE1-CD1 4.42Å; F696-F705 HydrophobicContact CE2-CB 3.81Å; F696-F705 HydrophobicContact CE2-CD1 4.49Å; F696-F705 HydrophobicContact CG-CB 4.47Å; F696-F705 AromaticContact CG-CD1 3.66Å; F696-F705 HydrophobicContact CG-CD1 3.66Å; F696-F705 HydrophobicContact CG-CE1 4.29Å; F696-F705 HydrophobicContact CG-CG 4.42Å; F696-F705 HydrophobicContact CZ-CB 4.15Å; F705-L707 HydrophobicContact CB-CD1 4.11Å; F705-L707 HydrophobicContact CD1-CD1 4.48Å; F705-L707 HydrophobicContact CD2-CD1 4.2Å; F705-L707 HydrophobicContact CD2-CD2 4.47Å; F705-L707 HydrophobicContact CD2-CG 4.04Å; F705-L707 HydrophobicContact CE1-CD2 4.45Å; F705-L707 HydrophobicContact CE2-CD2 4.4Å; F705-L707 HydrophobicContact CE2-CG 4.33Å; F705-L707 HydrophobicContact CG-CD1 4Å; F705-L707 HydrophobicContact CG-CG 4.28Å; F705-L707 HydrophobicContact CZ-CD2 4.38Å; F705-L707 VanDerWaalsContact O-CD1 3.28Å; F705-L707 WeakPolarHBondContact O-CD1 3.32Å; F705-L718 HydrophobicContact CD1-CD2 3.86Å; F705-L718 HydrophobicContact CE1-CD2 3.7Å
706	I	93.9	Very high	83	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	124.1	177.4	-31.7	175.6	0	0	0	109	I655 L663 L666 E667 L670 Y677 L678 R679 L680	I655-I706 HydrophobicContact CB-CG2 4.32Å; I655-I706 HydrophobicContact CG2-CG2 4.46Å; L663-I706 HydrophobicContact CD2-CB 4.18Å; L663-I706 HydrophobicContact CD2-CG2 3.27Å; L666-I706 HydrophobicContact CB-CD1 4.03Å; L666-I706 HydrophobicContact CB-CG2 4.48Å; L666-I706 HydrophobicContact CD1-CG2 3.74Å; E667-I706 HydrophobicContact CG-CD1 4.19Å; L670-I706 HydrophobicContact CD1-CD1 3.49Å; L670-I706 VanDerWaalsContact CD1-CD1 3.49Å; L670-I706 HydrophobicContact CD1-CG1 3.85Å; Y677-I706 HydrophobicContact CD2-CD1 3.88Å; Y677-I706 HydrophobicContact CD2-CG1 4.32Å; Y677-I706 HydrophobicContact CE2-CD1 4.34Å; Y677-I706 HydrophobicContact CG-CD1 4.32Å; L678-I706 PolarHBondContact O-N 2.85Å; R679-I706 WeakPolarHBondContact CA-O 3.34Å; L680-I706 PolarHBondContact N-O 3.25Å
707	L	92	Very high	82.5	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.3	-177.8	-53.8	105	0	0	0	110.7	L654 I655 F656 T657 L680 F705 L718	L654-L707 HydrophobicContact CB-CD1 4.01Å; L654-L707 HydrophobicContact CD2-CD1 4.03Å; L654-L707 HydrophobicContact CG-CD1 4.46Å; I655-L707 PolarHBondContact O-N 3.5Å; F656-L707 WeakPolarHBondContact CA-O 3.13Å; F656-L707 HydrophobicContact CD1-CB 3.77Å; F656-L707 HydrophobicContact CD1-CD1 4.44Å; F656-L707 HydrophobicContact CE1-CB 3.69Å; F656-L707 HydrophobicContact CE1-CD1 3.91Å; F656-L707 HydrophobicContact CE1-CD2 4.38Å; F656-L707 HydrophobicContact CE1-CG 4.21Å; F656-L707 HydrophobicContact CZ-CD1 4.22Å; T657-L707 PolarHBondContact N-O 3.18Å; L680-L707 HydrophobicContact CB-CD2 4.29Å; L680-L707 WeakPolarHBondContact O-CA 3.44Å; F705-L707 HydrophobicContact CB-CD1 4.11Å; F705-L707 HydrophobicContact CD1-CD1 4.48Å; F705-L707 HydrophobicContact CD2-CD1 4.2Å; F705-L707 HydrophobicContact CD2-CD2 4.47Å; F705-L707 HydrophobicContact CD2-CG 4.04Å; F705-L707 HydrophobicContact CE1-CD2 4.45Å; F705-L707 HydrophobicContact CE2-CD2 4.4Å; F705-L707 HydrophobicContact CE2-CG 4.33Å; F705-L707 HydrophobicContact CG-CD1 4Å; F705-L707 HydrophobicContact CG-CG 4.28Å; F705-L707 HydrophobicContact CZ-CD2 4.38Å; F705-L707 VanDerWaalsContact O-CD1 3.28Å; F705-L707 WeakPolarHBondContact O-CD1 3.32Å; L707-L718 HydrophobicContact CD1-CD1 4.5Å; L707-L718 HydrophobicContact CD2-CD1 3.84Å
708	S	88.5	Confident	82.3	Confident	14 Å²	14	45.1 Å²	45.1	10%	0.098	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	137.6	159.4	175.9	0	0	0	0	109.4	T657 L680 R710 S711 G712	T657-S708 CarbonylContact O-C 3.52Å; T657-S708 VanDerWaalsContact O-CA 3.23Å; T657-S708 WeakPolarHBondContact O-CA 3.12Å; L680-S708 PolarHBondContact O-N 3Å; S708-R710 PolarHBondContact O-N 3.38Å; S708-S711 PolarHBondContact O-N 3.1Å; S708-G712 PolarHBondContact O-N 3.37Å
709	T	82.1	Confident	82	Confident	0 Å²	0	40 Å²	40	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-51.9	-40.9	177.3	49.2	0	0	0	0	112.6	F656 T657 Q658 G713	F656-T709 HydrophobicContact CB-CG2 3.78Å; F656-T709 HydrophobicContact CG-CG2 4.47Å; T657-T709 PolarHBondContact O-N 3.49Å; Q658-T709 HydrophobicContact CG-CG2 4.48Å; Q658-T709 VanDerWaalsContact NE2-CB 3.33Å; Q658-T709 VanDerWaalsContact NE2-CG2 3.31Å; Q658-T709 PolarHBondContact NE2-OG1 3.42Å; Q658-T709 PolarHBondContact OE1-OG1 3.29Å; T709-G713 PolarHBondContact O-N 3Å
710	R	76.3	Confident	81.8	Confident	122 Å²	122	38.3 Å²	38.3	46%	0.46	18%	0.176	S	C	.	.	H	α-helix	trans	-68.5	-38.7	178	-64.9	-172.5	-170.7	177.7	5.9	112.8	S708 L714	S708-R710 PolarHBondContact O-N 3.38Å; R710-L714 WeakPolarHBondContact O-CG 3.33Å
711	S	72.3	Confident	81.9	Confident	9 Å²	9	28.3 Å²	28.3	6%	0.063	14%	0.138	C	C	.	.	H	α-helix	trans	-78.4	-34.2	179.7	-61.1	0	0	0	0	112.1	L680 D681 G682 S708 L714	L680-S711 VanDerWaalsContact CD2-CB 3.49Å; D681-S711 VanDerWaalsContact C-OG 3.26Å; D681-S711 PolarHBondContact O-OG 3.43Å; G682-S711 WeakPolarHBondContact CA-OG 3.13Å; G682-S711 PolarHBondContact N-OG 3.07Å; G682-S711 VanDerWaalsContact N-OG 3.09Å; S708-S711 PolarHBondContact O-N 3.1Å; S711-L714 WeakPolarHBondContact O-CB 2.87Å; S711-L714 PolarHBondContact O-N 2.93Å
712	G	64.4	Low	82	Confident	2 Å²	2	19.3 Å²	19.3	2%	0.021	11%	0.105	C	C	.	.	H	α-helix	trans	-74.7	-27	176.3	0	0	0	0	0	113.9	S708 L714	S708-G712 PolarHBondContact O-N 3.37Å; G712-L714 PolarHBondContact O-N 3.32Å
713	G	63.5	Low	82.1	Confident	2 Å²	2	19 Å²	19	2%	0.021	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.7	172.8	0	0	0	0	0	113.9	T709 G715 Q738 R742	T709-G713 PolarHBondContact O-N 3Å; G713-G715 PolarHBondContact O-N 3.25Å; G713-Q738 PolarHBondContact O-NE2 3.43Å; G713-R742 PolarHBondContact O-NE 3.17Å; G713-R742 PolarHBondContact O-NH2 3.29Å
714	L	63.5	Low	82.1	Confident	53 Å²	53	18 Å²	18	28%	0.277	10%	0.098	S	C	.	.	S	Bend	trans	-78.9	103.9	-177.5	-60.7	170.4	0	0	0	110.6	S278 R710 S711 G712 V716	S278-L714 WeakPolarHBondContact OG-CB 3.23Å; S278-L714 WeakPolarHBondContact OG-CD2 3.42Å; R710-L714 WeakPolarHBondContact O-CG 3.33Å; S711-L714 WeakPolarHBondContact O-CB 2.87Å; S711-L714 PolarHBondContact O-N 2.93Å; G712-L714 PolarHBondContact O-N 3.32Å; L714-V716 VanDerWaalsContact C-N 3.29Å; L714-V716 WeakPolarHBondContact O-CG2 3.41Å; L714-V716 PolarHBondContact O-N 3.19Å
715	G	61.3	Low	82.2	Confident	12 Å²	12	18 Å²	18	12%	0.124	10%	0.098	C	C	.	.	S	Bend	trans	57.3	-11.5	148.3	0	0	0	0	0	123.2	G713 R742	G713-G715 PolarHBondContact O-N 3.25Å; G715-R742 VanDerWaalsContact N-CZ 3.34Å
716	V	70.4	Confident	82.2	Confident	30 Å²	30	18 Å²	18	18%	0.182	10%	0.098	C	C	.	.			trans	-107.1	160.9	-163.1	-167.7	0	0	0	0	114	M693 L714 R742	M693-V716 HydrophobicContact CB-CG1 4.07Å; M693-V716 HydrophobicContact CE-CB 3.3Å; M693-V716 HydrophobicContact CE-CG1 3.56Å; M693-V716 HydrophobicContact CE-CG2 3.57Å; M693-V716 HydrophobicContact CG-CG1 4.02Å; M693-V716 HydrophobicContact SD-CB 3.58Å; M693-V716 VanDerWaalsContact SD-CB 3.58Å; M693-V716 HydrophobicContact SD-CG1 3.19Å; M693-V716 WeakPolarHBondContact SD-CG1 3.12Å; M693-V716 HydrophobicContact SD-CG2 3.58Å; M693-V716 VanDerWaalsContact SD-CG2 3.58Å; L714-V716 VanDerWaalsContact C-N 3.29Å; L714-V716 WeakPolarHBondContact O-CG2 3.41Å; L714-V716 PolarHBondContact O-N 3.19Å; V716-R742 WeakPolarHBondContact O-CD 3.46Å
717	N	79.4	Confident	82.3	Confident	71 Å²	71	18 Å²	18	38%	0.38	10%	0.098	S	C	.	.			trans	-95.9	113.3	-178	-62.4	-26.3	0	0	0	110.9	N697 R745	N697-N717 PolarHBondContact ND2-O 3.44Å; N697-N717 VanDerWaalsContact ND2-O 3.14Å; N717-R745 VanDerWaalsContact OD1-CZ 3.31Å; N717-R745 PolarHBondContact OD1-NH1 2.87Å
718	L	83.4	Confident	82.3	Confident	1 Å²	1	18 Å²	18	1%	0.005	10%	0.098	C	C	.	.			trans	-115.3	49.1	178	-65.7	172.6	0	0	0	110.4	L654 M693 F696 F705 L707 G720 A721 R742	L654-L718 HydrophobicContact CD1-CB 3.97Å; L654-L718 HydrophobicContact CD1-CD1 3.84Å; L654-L718 HydrophobicContact CD2-CD1 4.31Å; M693-L718 HydrophobicContact CE-CD2 4.29Å; M693-L718 HydrophobicContact CG-CD2 4.05Å; F696-L718 HydrophobicContact CD1-CD2 4.35Å; F705-L718 HydrophobicContact CD1-CD2 3.86Å; F705-L718 HydrophobicContact CE1-CD2 3.7Å; L707-L718 HydrophobicContact CD1-CD1 4.5Å; L707-L718 HydrophobicContact CD2-CD1 3.84Å; L718-G720 PolarHBondContact O-N 2.86Å; L718-A721 PolarHBondContact O-N 2.85Å; L718-R742 PolarHBondContact N-O 2.86Å
719	T	84.7	Confident	82.2	Confident	46 Å²	46	18.1 Å²	18.1	28%	0.282	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-12.6	-176.3	52.2	0	0	0	0	113.4	A721	T719-A721 VanDerWaalsContact C-N 3.32Å
720	G	86.8	Confident	82.3	Confident	11 Å²	11	19 Å²	19	11%	0.113	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-29.2	176.9	0	0	0	0	0	114.2	R652 N697 L718	R652-G720 PolarHBondContact NE-O 2.77Å; R652-G720 VanDerWaalsContact NH2-C 3.28Å; R652-G720 PolarHBondContact NH2-O 3.14Å; N697-G720 PolarHBondContact OD1-N 3.09Å; N697-G720 VanDerWaalsContact OD1-N 3.11Å; L718-G720 PolarHBondContact O-N 2.86Å
721	A	91.7	Very high	82.4	Confident	1 Å²	1	18.5 Å²	18.5	1%	0.008	10%	0.102	C	C	.	.			trans	-83.5	149.3	178.1	0	0	0	0	0	111.2	L654 F696 L718 T719 C743 Q748	L654-A721 HydrophobicContact CD1-CB 4.04Å; L654-A721 HydrophobicContact CD2-CB 3.65Å; L654-A721 HydrophobicContact CG-CB 3.48Å; L654-A721 VanDerWaalsContact CG-CB 3.48Å; F696-A721 HydrophobicContact CE1-CB 3.93Å; F696-A721 HydrophobicContact CZ-CB 3.99Å; L718-A721 PolarHBondContact O-N 2.85Å; T719-A721 VanDerWaalsContact C-N 3.32Å; A721-C743 PolarHBondContact O-SG 3.23Å; A721-Q748 PolarHBondContact O-NE2 3.33Å
722	D	93.1	Very high	82.7	Confident	4 Å²	4	18.8 Å²	18.8	2%	0.021	10%	0.102	C	C	.	.	S	Bend	trans	-116.5	-15.7	171.1	47.2	14.5	0	0	0	111.8	H651 R652 R750 V752 N753	H651-D722 WeakPolarHBondContact CB-OD1 3.22Å; H651-D722 IonicContact CE1-OD2 3.38Å; H651-D722 IonicContact CG-OD1 3.37Å; H651-D722 IonicContact CG-OD2 3.52Å; H651-D722 IonicContact ND1-OD1 3.89Å; H651-D722 IonicContact ND1-OD2 2.83Å; H651-D722 PolarHBondContact ND1-OD2 2.83Å; R652-D722 PolarHBondContact N-OD1 3.42Å; R652-D722 PolarHBondContact O-N 3.42Å; R652-D722 VanDerWaalsContact O-N 3.09Å; D722-R750 HydrophobicContact CB-CB 4.06Å; D722-R750 WeakPolarHBondContact OD2-CD 3.35Å; D722-R750 IonicContact OD2-CZ 3.08Å; D722-R750 IonicContact OD2-NE 2.68Å; D722-R750 IonicContact OD2-NH1 2.81Å; D722-R750 PolarHBondContact OD2-NH1 3.49Å; D722-V752 VanDerWaalsContact O-CA 3.27Å; D722-V752 WeakPolarHBondContact O-CA 3.33Å; D722-N753 PolarHBondContact O-N 3.44Å; D722-N753 VanDerWaalsContact O-N 3.12Å
723	T	95.1	Very high	83.6	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	136.8	178.5	-53.6	0	0	0	0	111.6	L646 R652 C653 L654 I725 N753 Y755	L646-T723 HydrophobicContact CD1-CG2 3.95Å; L646-T723 HydrophobicContact CD2-CG2 4.09Å; L646-T723 WeakPolarHBondContact CD2-OG1 3.29Å; R652-T723 PolarHBondContact O-N 2.85Å; C653-T723 CarbonylContact C-O 3.53Å; C653-T723 WeakPolarHBondContact CA-O 3.43Å; C653-T723 HydrophobicContact CB-CG2 4.29Å; L654-T723 PolarHBondContact N-O 3.45Å; T723-I725 HydrophobicContact CG2-CG1 4.22Å; T723-N753 CarbonylContact C-O 3.58Å; T723-N753 WeakPolarHBondContact CA-O 3.46Å; T723-N753 HydrophobicContact CG2-CB 4.47Å; T723-Y755 HydrophobicContact CG2-CD2 3.57Å; T723-Y755 HydrophobicContact CG2-CE2 3.58Å
724	V	94.7	Very high	84.4	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128	175.1	177.2	0	0	0	0	109	L654 F656 F726 C743 V752 N753 I754 Y755	L654-V724 HydrophobicContact CD1-CG2 4.43Å; F656-V724 HydrophobicContact CD2-CG1 3.66Å; F656-V724 HydrophobicContact CE2-CG1 3.62Å; V724-F726 HydrophobicContact CG1-CD2 4.3Å; V724-F726 HydrophobicContact CG1-CE2 3.81Å; V724-F726 HydrophobicContact CG1-CZ 3.97Å; V724-C743 HydrophobicContact CG2-CB 3.69Å; V724-V752 HydrophobicContact CG2-CG1 4.4Å; V724-N753 PolarHBondContact N-O 2.9Å; V724-I754 HydrophobicContact CB-CG1 4.39Å; V724-I754 CarbonylContact O-C 3.59Å; V724-I754 VanDerWaalsContact O-CA 3.31Å; V724-I754 WeakPolarHBondContact O-CA 3.35Å; V724-Y755 PolarHBondContact O-N 3.17Å
725	I	95.6	Very high	85.3	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	115.9	179.5	-53.6	179.1	0	0	0	108.6	L639 I642 L643 L646 C653 L654 I655 F656 T723 Y755 L757	L639-I725 HydrophobicContact CD1-CD1 3.85Å; L639-I725 HydrophobicContact CD1-CG2 3.94Å; I642-I725 HydrophobicContact CG2-CD1 3.99Å; L643-I725 HydrophobicContact CD2-CD1 4.44Å; L646-I725 HydrophobicContact CD1-CD1 4.32Å; C653-I725 HydrophobicContact CB-CD1 4.23Å; L654-I725 PolarHBondContact O-N 3.14Å; I655-I725 WeakPolarHBondContact CA-O 3.26Å; I655-I725 HydrophobicContact CG1-CB 4.39Å; I655-I725 HydrophobicContact CG1-CD1 4.46Å; F656-I725 PolarHBondContact N-O 2.99Å; T723-I725 HydrophobicContact CG2-CG1 4.22Å; I725-Y755 CarbonylContact C-O 3.58Å; I725-Y755 WeakPolarHBondContact CA-O 3.35Å; I725-Y755 HydrophobicContact CG1-CD2 4.39Å; I725-L757 HydrophobicContact CG2-CD1 4.37Å; I725-L757 HydrophobicContact CG2-CG 4.35Å
726	F	94.7	Very high	86.6	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	107.5	168.1	-68.1	-72.1	0	0	0	108.9	F656 V724 D736 A739 Q740 I754 Y755 R756 L757	F656-F726 HydrophobicContact CB-CD1 3.74Å; F656-F726 HydrophobicContact CB-CE1 3.95Å; F656-F726 HydrophobicContact CD2-CD1 4.16Å; F656-F726 AromaticContact CD2-CE1 3.71Å; F656-F726 HydrophobicContact CD2-CE1 3.71Å; F656-F726 HydrophobicContact CD2-CZ 4.18Å; F656-F726 HydrophobicContact CG-CD1 4.3Å; F656-F726 HydrophobicContact CG-CE1 4.02Å; V724-F726 HydrophobicContact CG1-CD2 4.3Å; V724-F726 HydrophobicContact CG1-CE2 3.81Å; V724-F726 HydrophobicContact CG1-CZ 3.97Å; F726-D736 HydrophobicContact CE1-CB 3.99Å; F726-D736 HydrophobicContact CZ-CB 3.97Å; F726-D736 VanDerWaalsContact CZ-O 3.32Å; F726-D736 WeakPolarHBondContact CZ-O 3.28Å; F726-A739 HydrophobicContact CE1-CB 4.11Å; F726-A739 HydrophobicContact CZ-CB 4.23Å; F726-Q740 HydrophobicContact CZ-CB 4.45Å; F726-I754 HydrophobicContact CD2-CG2 3.86Å; F726-I754 HydrophobicContact CE2-CG2 3.72Å; F726-Y755 PolarHBondContact N-O 3.03Å; F726-R756 HydrophobicContact CB-CG 4.41Å; F726-L757 PolarHBondContact O-N 2.91Å
727	Y	94.7	Very high	87.2	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	-73.8	-37.8	177.3	-169.1	-93.6	0	0	0	111.7	N503 K635 L636 L639 F656 T657 M662 L757	N503-Y727 HydrophobicContact CB-CE1 3.97Å; N503-Y727 PolarHBondContact O-OH 3.47Å; K635-Y727 HydrophobicContact CB-CE2 3.88Å; K635-Y727 HydrophobicContact CD-CE1 4.06Å; K635-Y727 HydrophobicContact CD-CE2 4.37Å; K635-Y727 PolarHBondContact NZ-O 2.89Å; L636-Y727 HydrophobicContact CD2-CE2 3.85Å; L636-Y727 HydrophobicContact CG-CE2 4.49Å; L639-Y727 HydrophobicContact CD2-CD2 4.31Å; L639-Y727 HydrophobicContact CD2-CE2 4.29Å; F656-Y727 WeakPolarHBondContact O-CB 3.43Å; F656-Y727 PolarHBondContact O-N 3.23Å; T657-Y727 HydrophobicContact CG2-CD1 4.4Å; T657-Y727 HydrophobicContact CG2-CG 4.32Å; M662-Y727 HydrophobicContact CE-CD1 4.15Å; M662-Y727 HydrophobicContact CE-CE1 3.37Å; M662-Y727 HydrophobicContact CE-CE2 4.05Å; M662-Y727 VanDerWaalsContact CE-OH 3.28Å; M662-Y727 WeakPolarHBondContact CE-OH 3.42Å; M662-Y727 HydrophobicContact CG-CD1 4.15Å; M662-Y727 HydrophobicContact CG-CE1 4.06Å; M662-Y727 HydrophobicContact SD-CE1 3.82Å; Y727-L757 HydrophobicContact CD2-CD1 3.85Å; Y727-L757 HydrophobicContact CE2-CD1 4.22Å
728	D	91.6	Very high	87.5	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-135.5	144.3	168.1	56.2	0.8	0	0	0	110.3	R499 N503 T657 Q658	R499-D728 IonicContact NH2-OD2 2.93Å; N503-D728 PolarHBondContact ND2-OD2 3.06Å; T657-D728 VanDerWaalsContact C-OD1 3.3Å; T657-D728 WeakPolarHBondContact CA-OD1 3.45Å; Q658-D728 VanDerWaalsContact CB-OD2 3.3Å; Q658-D728 WeakPolarHBondContact CB-OD2 2.99Å; Q658-D728 PolarHBondContact N-OD1 2.87Å; Q658-D728 PolarHBondContact N-OD2 3.42Å
729	S	87	Confident	87.5	Confident	16 Å²	16	15.5 Å²	15.5	11%	0.112	8%	0.083	C	C	.	.			trans	-87.4	143.2	179.9	-58.4	0	0	0	0	110.4	R499 R756	R499-S729 PolarHBondContact NH1-O 2.77Å; R499-S729 PolarHBondContact NH2-O 3.47Å; S729-R756 WeakPolarHBondContact OG-CD 3.38Å; S729-R756 PolarHBondContact OG-NH1 2.78Å
730	D	84.4	Confident	87.7	Confident	20 Å²	20	14.1 Å²	14.1	11%	0.107	7%	0.073	C	C	.	.			trans	-67.9	155.5	168.2	-152.9	-61.6	0	0	0	110.2	Q658 N732 M735 D736	Q658-D730 PolarHBondContact NE2-OD2 3.12Å; Q658-D730 PolarHBondContact OE1-OD2 3.17Å; D730-N732 PolarHBondContact O-N 3.37Å; D730-N732 PolarHBondContact OD1-N 3.25Å; D730-M735 HydrophobicContact CB-CB 4.22Å; D730-D736 VanDerWaalsContact CB-OD1 3.31Å; D730-D736 WeakPolarHBondContact CB-OD1 3.27Å; D730-D736 PolarHBondContact N-OD1 3.38Å; D730-D736 PolarHBondContact N-OD2 3.36Å
731	W	78.5	Confident	87.7	Confident	110 Å²	110	14.2 Å²	14.2	42%	0.417	7%	0.071	S	C	.	.	S	Bend	trans	-65.6	-28.6	167.5	-66.6	99.3	0	0	0	111.5	L495 I767	L495-W731 HydrophobicContact CB-CZ2 4.43Å; L495-W731 HydrophobicContact CD1-CH2 4.01Å; W731-I767 HydrophobicContact CD2-CG2 4.44Å; W731-I767 HydrophobicContact CE3-CD1 4.39Å; W731-I767 HydrophobicContact CE3-CG1 4.13Å; W731-I767 HydrophobicContact CE3-CG2 4.04Å; W731-I767 HydrophobicContact CH2-CD1 3.46Å; W731-I767 VanDerWaalsContact CH2-CD1 3.46Å; W731-I767 HydrophobicContact CH2-CG1 3.57Å; W731-I767 HydrophobicContact CZ2-CD1 3.66Å; W731-I767 HydrophobicContact CZ2-CG1 4.26Å; W731-I767 HydrophobicContact CZ3-CB 4.42Å; W731-I767 HydrophobicContact CZ3-CD1 3.89Å; W731-I767 HydrophobicContact CZ3-CG1 3.53Å; W731-I767 HydrophobicContact CZ3-CG2 4.29Å
732	N	78.1	Confident	87.2	Confident	15 Å²	15	14.8 Å²	14.8	8%	0.08	7%	0.073	C	C	.	.	S	Bend	trans	-99.1	109.5	177.1	-178.8	5.2	0	0	0	111.3	Q380 D730 T734 M735	Q380-N732 PolarHBondContact OE1-ND2 3.49Å; D730-N732 PolarHBondContact O-N 3.37Å; D730-N732 PolarHBondContact OD1-N 3.25Å; N732-T734 VanDerWaalsContact CG-OG1 3.26Å; N732-T734 PolarHBondContact ND2-OG1 2.95Å; N732-T734 PolarHBondContact O-N 2.76Å; N732-T734 VanDerWaalsContact O-N 3.07Å; N732-T734 PolarHBondContact OD1-N 2.83Å; N732-T734 VanDerWaalsContact OD1-N 3.1Å; N732-T734 PolarHBondContact OD1-OG1 3.29Å; N732-M735 HydrophobicContact CB-CG 4.12Å; N732-M735 PolarHBondContact O-N 3.09Å; N732-M735 VanDerWaalsContact O-N 3.08Å
733	P	83.3	Confident	87	Confident	5 Å²	5	14.6 Å²	14.6	3%	0.032	7%	0.072	C	C	.	.	H	α-helix	trans	-61.2	-22.5	-178.1	26.8	-36.7	0	0	0	113.6	M735 A737 A771 K774 R775	P733-M735 VanDerWaalsContact C-N 3.32Å; P733-M735 PolarHBondContact O-N 3.45Å; P733-A737 PolarHBondContact O-N 2.93Å; P733-A737 VanDerWaalsContact O-N 3.07Å; P733-A771 HydrophobicContact CB-CB 4.37Å; P733-A771 WeakPolarHBondContact CG-O 3.18Å; P733-K774 HydrophobicContact CG-CB 4.18Å; P733-R775 HydrophobicContact CB-CB 4.36Å; P733-R775 HydrophobicContact CG-CB 4.37Å
734	T	81.5	Confident	86.6	Confident	18 Å²	18	15.2 Å²	15.2	11%	0.11	8%	0.075	C	C	.	.	H	α-helix	trans	-71.8	-27.6	179.3	69.9	0	0	0	0	112.6	T377 Q380 N732 A737 Q738	T377-T734 HydrophobicContact CG2-CG2 4.28Å; Q380-T734 HydrophobicContact CB-CG2 4.15Å; Q380-T734 HydrophobicContact CG-CG2 4.08Å; Q380-T734 PolarHBondContact NE2-OG1 3.27Å; N732-T734 VanDerWaalsContact CG-OG1 3.26Å; N732-T734 PolarHBondContact ND2-OG1 2.95Å; N732-T734 PolarHBondContact O-N 2.76Å; N732-T734 VanDerWaalsContact O-N 3.07Å; N732-T734 PolarHBondContact OD1-N 2.83Å; N732-T734 VanDerWaalsContact OD1-N 3.1Å; N732-T734 PolarHBondContact OD1-OG1 3.29Å; T734-A737 PolarHBondContact O-N 2.96Å; T734-Q738 VanDerWaalsContact O-CB 3.3Å; T734-Q738 WeakPolarHBondContact O-CB 3.43Å; T734-Q738 PolarHBondContact O-N 2.99Å
735	M	82.5	Confident	86	Confident	41 Å²	41	17.9 Å²	17.9	20%	0.202	9%	0.085	C	C	.	.	H	α-helix	trans	-68.9	-42.9	177	-68.7	-59	-58.6	0	0	110.9	D730 N732 P733 A737 Q738 A739	D730-M735 HydrophobicContact CB-CB 4.22Å; N732-M735 HydrophobicContact CB-CG 4.12Å; N732-M735 PolarHBondContact O-N 3.09Å; N732-M735 VanDerWaalsContact O-N 3.08Å; P733-M735 VanDerWaalsContact C-N 3.32Å; P733-M735 PolarHBondContact O-N 3.45Å; M735-A737 VanDerWaalsContact C-N 3.35Å; M735-Q738 PolarHBondContact O-N 3Å; M735-A739 PolarHBondContact O-N 3.49Å
736	D	87	Confident	85.1	Confident	3 Å²	3	20.7 Å²	20.7	2%	0.016	10%	0.1	C	C	.	.	H	α-helix	trans	-63.3	-43.2	173.7	-69.8	1.4	0	0	0	110.6	F726 D730 Q738 A739 Q740 R756	F726-D736 HydrophobicContact CE1-CB 3.99Å; F726-D736 HydrophobicContact CZ-CB 3.97Å; F726-D736 VanDerWaalsContact CZ-O 3.32Å; F726-D736 WeakPolarHBondContact CZ-O 3.28Å; D730-D736 VanDerWaalsContact CB-OD1 3.31Å; D730-D736 WeakPolarHBondContact CB-OD1 3.27Å; D730-D736 PolarHBondContact N-OD1 3.38Å; D730-D736 PolarHBondContact N-OD2 3.36Å; D736-Q738 VanDerWaalsContact C-N 3.35Å; D736-Q738 PolarHBondContact O-N 2.91Å; D736-A739 WeakPolarHBondContact O-CB 3.28Å; D736-A739 PolarHBondContact O-N 2.98Å; D736-Q740 PolarHBondContact O-N 3.18Å; D736-R756 IonicContact OD2-CZ 3.74Å; D736-R756 IonicContact OD2-NH1 2.72Å; D736-R756 PolarHBondContact OD2-NH1 3.43Å; D736-R756 IonicContact OD2-NH2 3.33Å
737	A	84.4	Confident	84.4	Confident	21 Å²	21	23.4 Å²	23.4	17%	0.174	13%	0.127	C	C	.	.	H	α-helix	trans	-61.1	-42.6	175.7	0	0	0	0	0	112.3	P733 T734 M735 A739 Q740 D741	P733-A737 PolarHBondContact O-N 2.93Å; P733-A737 VanDerWaalsContact O-N 3.07Å; T734-A737 PolarHBondContact O-N 2.96Å; M735-A737 VanDerWaalsContact C-N 3.35Å; A737-A739 VanDerWaalsContact C-N 3.3Å; A737-A739 PolarHBondContact O-N 2.81Å; A737-Q740 WeakPolarHBondContact O-CG 3.47Å; A737-Q740 PolarHBondContact O-N 3.4Å; A737-D741 VanDerWaalsContact O-CG 3.31Å; A737-D741 PolarHBondContact O-N 2.91Å
738	Q	84.2	Confident	84	Confident	14 Å²	14	24.2 Å²	24.2	7%	0.065	13%	0.131	C	C	.	.	H	α-helix	trans	-63.6	-35.3	176.1	171.9	164.3	8.8	0	0	112.6	M246 G713 T734 M735 D736 R742	M246-Q738 HydrophobicContact CE-CG 3.78Å; M246-Q738 HydrophobicContact SD-CB 3.83Å; M246-Q738 HydrophobicContact SD-CG 3.66Å; G713-Q738 PolarHBondContact O-NE2 3.43Å; T734-Q738 VanDerWaalsContact O-CB 3.3Å; T734-Q738 WeakPolarHBondContact O-CB 3.43Å; T734-Q738 PolarHBondContact O-N 2.99Å; M735-Q738 PolarHBondContact O-N 3Å; D736-Q738 VanDerWaalsContact C-N 3.35Å; D736-Q738 PolarHBondContact O-N 2.91Å; Q738-R742 WeakPolarHBondContact O-CG 3.2Å
739	A	85.1	Confident	83.8	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-68.5	-42.8	175	0	0	0	0	0	111.6	F656 F726 M735 D736 A737 D741 R742	F656-A739 HydrophobicContact CD1-CB 4.36Å; F656-A739 HydrophobicContact CD2-CB 4.3Å; F656-A739 HydrophobicContact CE1-CB 4.07Å; F656-A739 HydrophobicContact CE2-CB 3.98Å; F656-A739 HydrophobicContact CG-CB 4.48Å; F656-A739 HydrophobicContact CZ-CB 3.87Å; F726-A739 HydrophobicContact CE1-CB 4.11Å; F726-A739 HydrophobicContact CZ-CB 4.23Å; M735-A739 PolarHBondContact O-N 3.49Å; D736-A739 WeakPolarHBondContact O-CB 3.28Å; D736-A739 PolarHBondContact O-N 2.98Å; A737-A739 VanDerWaalsContact C-N 3.3Å; A737-A739 PolarHBondContact O-N 2.81Å; A739-D741 VanDerWaalsContact C-N 3.3Å; A739-D741 PolarHBondContact O-N 3.46Å; A739-R742 WeakPolarHBondContact O-CB 3.44Å; A739-R742 PolarHBondContact O-N 2.85Å
740	Q	88.3	Confident	84	Confident	18 Å²	18	35.1 Å²	35.1	8%	0.084	18%	0.184	C	C	.	.	H	α-helix	trans	-62.4	-38	177.7	100.1	-156.8	-28.8	0	0	111.7	F726 D736 A737 R742 C743 H744 I754	F726-Q740 HydrophobicContact CZ-CB 4.45Å; D736-Q740 PolarHBondContact O-N 3.18Å; A737-Q740 WeakPolarHBondContact O-CG 3.47Å; A737-Q740 PolarHBondContact O-N 3.4Å; Q740-R742 PolarHBondContact O-N 3.17Å; Q740-C743 WeakPolarHBondContact O-CB 3.44Å; Q740-C743 PolarHBondContact O-N 3.37Å; Q740-H744 PolarHBondContact O-N 3.49Å; Q740-I754 HydrophobicContact CB-CD1 4.08Å; Q740-I754 HydrophobicContact CG-CD1 4.19Å
741	D	85.5	Confident	84.4	Confident	13 Å²	13	38 Å²	38	7%	0.07	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-11.8	-177.7	-76	-18.8	0	0	0	113	M246 K443 A737 A739	M246-D741 HydrophobicContact CB-CB 4.12Å; K443-D741 IonicContact NZ-OD1 3.11Å; K443-D741 PolarHBondContact NZ-OD1 2.96Å; K443-D741 VanDerWaalsContact NZ-OD1 3.15Å; A737-D741 VanDerWaalsContact O-CG 3.31Å; A737-D741 PolarHBondContact O-N 2.91Å; A739-D741 VanDerWaalsContact C-N 3.3Å; A739-D741 PolarHBondContact O-N 3.46Å
742	R	83.3	Confident	85.1	Confident	13 Å²	13	32.8 Å²	32.8	5%	0.049	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-28.3	170.9	-56.3	-46.6	-177	175.7	-7.4	112.6	E348 G713 G715 V716 L718 Q738 A739 Q740	E348-R742 IonicContact OE1-NH2 3.6Å; G713-R742 PolarHBondContact O-NE 3.17Å; G713-R742 PolarHBondContact O-NH2 3.29Å; G715-R742 VanDerWaalsContact N-CZ 3.34Å; V716-R742 WeakPolarHBondContact O-CD 3.46Å; L718-R742 PolarHBondContact N-O 2.86Å; Q738-R742 WeakPolarHBondContact O-CG 3.2Å; A739-R742 WeakPolarHBondContact O-CB 3.44Å; A739-R742 PolarHBondContact O-N 2.85Å; Q740-R742 PolarHBondContact O-N 3.17Å
743	C	86.8	Confident	85.9	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-47.2	174.4	-175.8	0	0	0	0	110.8	L654 A721 V724 Q740 R745	L654-C743 HydrophobicContact CD1-CB 4.03Å; A721-C743 PolarHBondContact O-SG 3.23Å; V724-C743 HydrophobicContact CG2-CB 3.69Å; Q740-C743 WeakPolarHBondContact O-CB 3.44Å; Q740-C743 PolarHBondContact O-N 3.37Å; C743-R745 VanDerWaalsContact C-N 3.33Å; C743-R745 PolarHBondContact O-N 2.94Å
744	H	86.9	Confident	86.4	Confident	13 Å²	13	33.8 Å²	33.8	6%	0.06	19%	0.185	C	C	.	.	S	Bend	trans	-83.3	74.5	176.1	-169.8	-96.3	0	0	0	111.2	K443 P451 Q740 V752	K443-H744 PolarHBondContact NZ-O 3.49Å; P451-H744 PolarHBondContact O-NE2 3.24Å; Q740-H744 PolarHBondContact O-N 3.49Å; H744-V752 HydrophobicContact CB-CG2 4.3Å
745	R	82.5	Confident	87.1	Confident	56 Å²	56	35.1 Å²	35.1	21%	0.211	19%	0.188	C	C	.	.	S	Bend	trans	-131.2	164.1	-178.4	-160.6	168.9	-177.4	169.5	3.3	111.5	N717 C743 G747 Q748	N717-R745 VanDerWaalsContact OD1-CZ 3.31Å; N717-R745 PolarHBondContact OD1-NH1 2.87Å; C743-R745 VanDerWaalsContact C-N 3.33Å; C743-R745 PolarHBondContact O-N 2.94Å; R745-G747 PolarHBondContact O-N 2.91Å; R745-Q748 WeakPolarHBondContact O-CB 3.37Å; R745-Q748 PolarHBondContact O-N 3.46Å
746	I	78.1	Confident	87.7	Confident	59 Å²	59	33.2 Å²	33.2	30%	0.303	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	120.7	172.3	-56.7	173.6	0	0	0	108.9	G247	G247-I746 VanDerWaalsContact O-CD1 3.27Å; G247-I746 WeakPolarHBondContact O-CD1 3.45Å
747	G	79.6	Confident	88.1	Confident	56 Å²	56	33.1 Å²	33.1	58%	0.577	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	114.8	-14.5	-172.6	0	0	0	0	0	113.7	R745	R745-G747 PolarHBondContact O-N 2.91Å
748	Q	86.5	Confident	88.6	Confident	17 Å²	17	32.3 Å²	32.3	8%	0.079	17%	0.17	C	C	.	.			trans	-72.4	130.7	170.4	-177	58.7	-89.8	0	0	110.5	P451 A721 R745 R750 V752	P451-Q748 HydrophobicContact CG-CB 4.23Å; P451-Q748 HydrophobicContact CG-CG 3.78Å; A721-Q748 PolarHBondContact O-NE2 3.33Å; R745-Q748 WeakPolarHBondContact O-CB 3.37Å; R745-Q748 PolarHBondContact O-N 3.46Å; Q748-R750 WeakPolarHBondContact CG-O 3.47Å; Q748-R750 VanDerWaalsContact OE1-N 3.11Å; Q748-V752 HydrophobicContact CG-CG2 3.86Å
749	T	87.4	Confident	89	Confident	124 Å²	124	31.6 Å²	31.6	76%	0.761	17%	0.167	S	C	*	.			trans	-109.5	-17.1	180	56.1	0	0	0	0	112.9
750	R	90.1	Very high	89.2	Confident	121 Å²	121	33 Å²	33	46%	0.457	18%	0.178	S	C	.	.	S	Bend	trans	-106.3	151.9	-179.6	-63.6	179.8	176.5	-173.4	-5	111.5	P451 G650 D722 Q748	P451-R750 WeakPolarHBondContact CB-O 3.08Å; P451-R750 WeakPolarHBondContact CG-O 3.38Å; G650-R750 PolarHBondContact O-NH1 3.39Å; D722-R750 HydrophobicContact CB-CB 4.06Å; D722-R750 WeakPolarHBondContact OD2-CD 3.35Å; D722-R750 IonicContact OD2-CZ 3.08Å; D722-R750 IonicContact OD2-NE 2.68Å; D722-R750 IonicContact OD2-NH1 2.81Å; D722-R750 PolarHBondContact OD2-NH1 3.49Å; Q748-R750 WeakPolarHBondContact CG-O 3.47Å; Q748-R750 VanDerWaalsContact OE1-N 3.11Å
751	D	92.2	Very high	89.2	Confident	82 Å²	82	43.2 Å²	43.2	44%	0.439	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-60.4	139.5	170	-69	-34.7	0	0	0	110.7	P451 K452 F454	P451-D751 WeakPolarHBondContact CB-OD1 3.29Å; K452-D751 PolarHBondContact N-OD1 3.38Å; K452-D751 WeakPolarHBondContact O-CA 3.37Å; F454-D751 HydrophobicContact CE2-CB 4.27Å
752	V	93.2	Very high	89.4	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	116.7	-175	179.8	0	0	0	0	109.9	K452 K453 F454 D722 V724 H744 Q748 I754	K452-V752 PolarHBondContact O-N 3.16Å; K453-V752 VanDerWaalsContact CA-O 3.31Å; K453-V752 WeakPolarHBondContact CA-O 3.42Å; F454-V752 PolarHBondContact N-O 2.97Å; D722-V752 VanDerWaalsContact O-CA 3.27Å; D722-V752 WeakPolarHBondContact O-CA 3.33Å; V724-V752 HydrophobicContact CG2-CG1 4.4Å; H744-V752 HydrophobicContact CB-CG2 4.3Å; Q748-V752 HydrophobicContact CG-CG2 3.86Å; V752-I754 HydrophobicContact CG1-CG1 4.25Å
753	N	94.8	Very high	89.6	Confident	38 Å²	38	43.3 Å²	43.3	20%	0.203	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.1	176.7	-64.9	-42.5	0	0	0	110	D722 T723 V724 Y755	D722-N753 PolarHBondContact O-N 3.44Å; D722-N753 VanDerWaalsContact O-N 3.12Å; T723-N753 CarbonylContact C-O 3.58Å; T723-N753 WeakPolarHBondContact CA-O 3.46Å; T723-N753 HydrophobicContact CG2-CB 4.47Å; V724-N753 PolarHBondContact N-O 2.9Å; N753-Y755 HydrophobicContact CB-CE2 3.9Å
754	I	94.8	Very high	89.7	Confident	3 Å²	3	44 Å²	44	2%	0.015	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	112.3	-179.1	-55.1	171.6	0	0	0	108.1	F454 E455 H456 V724 F726 Q740 V752	F454-I754 WeakPolarHBondContact O-CB 3.48Å; F454-I754 PolarHBondContact O-N 3.47Å; E455-I754 CarbonylContact C-O 3.35Å; E455-I754 WeakPolarHBondContact CA-O 3.22Å; E455-I754 HydrophobicContact CG-CG2 4.44Å; H456-I754 PolarHBondContact N-O 3.15Å; V724-I754 HydrophobicContact CB-CG1 4.39Å; V724-I754 CarbonylContact O-C 3.59Å; V724-I754 VanDerWaalsContact O-CA 3.31Å; V724-I754 WeakPolarHBondContact O-CA 3.35Å; F726-I754 HydrophobicContact CD2-CG2 3.86Å; F726-I754 HydrophobicContact CE2-CG2 3.72Å; Q740-I754 HydrophobicContact CB-CD1 4.08Å; Q740-I754 HydrophobicContact CG-CD1 4.19Å; V752-I754 HydrophobicContact CG1-CG1 4.25Å
755	Y	95.7	Very high	89.8	Confident	45 Å²	45	46.7 Å²	46.7	18%	0.176	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.5	175.3	-65	-84.3	0	0	0	110.4	H456 M458 I642 T723 V724 I725 F726 N753	H456-Y755 HydrophobicContact CB-CD1 3.77Å; H456-Y755 HydrophobicContact CB-CE1 3.98Å; H456-Y755 CarbonylContact O-C 3.59Å; H456-Y755 WeakPolarHBondContact O-CA 3.3Å; M458-Y755 HydrophobicContact CG-CD1 4Å; M458-Y755 HydrophobicContact SD-CD1 4.26Å; I642-Y755 HydrophobicContact CD1-CD1 4.26Å; I642-Y755 HydrophobicContact CD1-CG 4.45Å; I642-Y755 HydrophobicContact CG2-CD2 4.47Å; I642-Y755 HydrophobicContact CG2-CE2 4.48Å; T723-Y755 HydrophobicContact CG2-CD2 3.57Å; T723-Y755 HydrophobicContact CG2-CE2 3.58Å; V724-Y755 PolarHBondContact O-N 3.17Å; I725-Y755 CarbonylContact C-O 3.58Å; I725-Y755 WeakPolarHBondContact CA-O 3.35Å; I725-Y755 HydrophobicContact CG1-CD2 4.39Å; F726-Y755 PolarHBondContact N-O 3.03Å; N753-Y755 HydrophobicContact CB-CE2 3.9Å
756	R	95	Very high	89.9	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.008	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	112.4	174.8	-170.2	178.9	-62.4	-75.9	-3.6	109.3	E455 H456 M458 F726 S729 D736 I758	E455-R756 IonicContact OE1-CZ 2.71Å; E455-R756 IonicContact OE1-NE 3.66Å; E455-R756 PolarHBondContact OE1-NE 3.47Å; E455-R756 IonicContact OE1-NH2 2.76Å; E455-R756 PolarHBondContact OE1-NH2 3.49Å; H456-R756 PolarHBondContact O-N 3.37Å; M458-R756 PolarHBondContact N-O 3.09Å; F726-R756 HydrophobicContact CB-CG 4.41Å; S729-R756 WeakPolarHBondContact OG-CD 3.38Å; S729-R756 PolarHBondContact OG-NH1 2.78Å; D736-R756 IonicContact OD2-CZ 3.74Å; D736-R756 IonicContact OD2-NH1 2.72Å; D736-R756 PolarHBondContact OD2-NH1 3.43Å; D736-R756 IonicContact OD2-NH2 3.33Å; R756-I758 HydrophobicContact CG-CD1 4.03Å; R756-I758 HydrophobicContact CG-CG1 3.97Å
757	L	95.6	Very high	90.3	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	123	178.5	-55.5	-174.8	0	0	0	109.8	M458 K635 V638 L639 I642 I725 F726 Y727	M458-L757 HydrophobicContact CB-CD2 3.74Å; M458-L757 HydrophobicContact CG-CD2 4.14Å; K635-L757 HydrophobicContact CB-CD1 4.47Å; K635-L757 HydrophobicContact CD-CB 4.46Å; V638-L757 HydrophobicContact CG1-CD2 4.03Å; L639-L757 HydrophobicContact CB-CD1 4.27Å; L639-L757 HydrophobicContact CD1-CD1 4.37Å; I642-L757 HydrophobicContact CD1-CD2 4.06Å; I725-L757 HydrophobicContact CG2-CD1 4.37Å; I725-L757 HydrophobicContact CG2-CG 4.35Å; F726-L757 PolarHBondContact O-N 2.91Å; Y727-L757 HydrophobicContact CD2-CD1 3.85Å; Y727-L757 HydrophobicContact CE2-CD1 4.22Å
758	I	94.3	Very high	90.7	Very high	3 Å²	3	45 Å²	45	2%	0.015	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	128.2	-176.9	-55	-175	0	0	0	109.8	V457 M458 M459 C460 R756 A760 E764 L768	V457-I758 HydrophobicContact CG1-CD1 3.59Å; V457-I758 HydrophobicContact CG1-CG1 4.22Å; M458-I758 PolarHBondContact O-N 3.48Å; M459-I758 CarbonylContact C-O 3.56Å; M459-I758 WeakPolarHBondContact CA-O 3.48Å; M459-I758 HydrophobicContact SD-CB 4.23Å; M459-I758 HydrophobicContact SD-CG2 4.39Å; C460-I758 PolarHBondContact N-O 3.23Å; R756-I758 HydrophobicContact CG-CD1 4.03Å; R756-I758 HydrophobicContact CG-CG1 3.97Å; I758-A760 PolarHBondContact O-N 2.96Å; I758-E764 HydrophobicContact CG2-CB 4.11Å; I758-L768 HydrophobicContact CD1-CB 3.94Å; I758-L768 HydrophobicContact CD1-CD1 3.8Å; I758-L768 HydrophobicContact CD1-CD2 3.17Å; I758-L768 HydrophobicContact CD1-CG 3.78Å
759	C	93.7	Very high	90.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	120.3	174.6	-76	0	0	0	0	112.1	C460 L462 C502 K635 T762 E764	C460-C759 CarbonylContact O-C 3.58Å; C460-C759 WeakPolarHBondContact O-CA 3.46Å; L462-C759 HydrophobicContact CD2-CB 4.24Å; C502-C759 HydrophobicContact CB-CB 4.42Å; K635-C759 WeakPolarHBondContact CE-SG 3.31Å; C759-T762 HydrophobicContact CB-CG2 3.74Å; C759-T762 WeakPolarHBondContact CB-OG1 3.4Å; C759-T762 PolarHBondContact O-OG1 3.31Å; C759-E764 PolarHBondContact N-OE2 3.49Å
760	A	89.6	Confident	90.3	Very high	28 Å²	28	44.3 Å²	44.3	23%	0.231	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	142.6	177.8	0	0	0	0	0	112.2	M459 C460 I758 T762	M459-A760 HydrophobicContact CE-CB 3.9Å; C460-A760 PolarHBondContact O-N 3.24Å; I758-A760 PolarHBondContact O-N 2.96Å; A760-T762 VanDerWaalsContact C-N 3.27Å; A760-T762 WeakPolarHBondContact O-CG2 3.11Å; A760-T762 PolarHBondContact O-N 2.83Å
761	R	87.2	Confident	90	Very high	233 Å²	233	38.9 Å²	38.9	88%	0.879	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	33.5	179.2	-50.3	178.6	-174.5	170.2	3.2	113.5	E765	R761-E765 PolarHBondContact N-OE2 2.88Å
762	T	90.1	Very high	89.6	Confident	7 Å²	7	37.6 Å²	37.6	4%	0.043	18%	0.179	C	C	.	.	S	Bend	trans	-129.6	175.4	178.4	72.7	0	0	0	0	111.8	L462 Y470 C759 A760 E764 E765	L462-T762 HydrophobicContact CD1-CG2 3.49Å; L462-T762 VanDerWaalsContact CD1-CG2 3.49Å; L462-T762 HydrophobicContact CD2-CG2 4.19Å; L462-T762 HydrophobicContact CG-CG2 3.86Å; Y470-T762 HydrophobicContact CE2-CG2 4.47Å; C759-T762 HydrophobicContact CB-CG2 3.74Å; C759-T762 WeakPolarHBondContact CB-OG1 3.4Å; C759-T762 PolarHBondContact O-OG1 3.31Å; A760-T762 VanDerWaalsContact C-N 3.27Å; A760-T762 WeakPolarHBondContact O-CG2 3.11Å; A760-T762 PolarHBondContact O-N 2.83Å; T762-E764 PolarHBondContact O-N 3.22Å; T762-E764 PolarHBondContact OG1-N 3.25Å; T762-E765 PolarHBondContact O-N 2.97Å
763	V	87.3	Confident	88.9	Confident	21 Å²	21	39.5 Å²	39.5	13%	0.127	19%	0.188	C	C	.	.	H	α-helix	trans	-54.4	-32	172.7	174.5	0	0	0	0	112.4	L495 L498 E765 N766 I767	L495-V763 HydrophobicContact CD2-CB 4.41Å; L495-V763 HydrophobicContact CD2-CG1 3.44Å; L495-V763 VanDerWaalsContact CD2-CG1 3.44Å; L495-V763 HydrophobicContact CD2-CG2 4Å; L498-V763 HydrophobicContact CB-CG2 4.32Å; L498-V763 HydrophobicContact CD1-CG2 3.62Å; V763-E765 VanDerWaalsContact C-N 3.29Å; V763-E765 PolarHBondContact O-N 2.86Å; V763-N766 WeakPolarHBondContact O-CB 3.08Å; V763-N766 PolarHBondContact O-N 2.92Å; V763-N766 VanDerWaalsContact O-N 3.13Å; V763-I767 HydrophobicContact CG1-CD1 3.93Å; V763-I767 HydrophobicContact CG1-CG1 4.08Å; V763-I767 WeakPolarHBondContact O-CG1 3.42Å; V763-I767 PolarHBondContact O-N 3.24Å
764	E	88.8	Confident	88	Confident	14 Å²	14	39.9 Å²	39.9	7%	0.065	19%	0.188	C	C	.	.	H	α-helix	trans	-62.4	-34.3	-175.9	-63.9	-166.2	149.3	0	0	113.5	C502 K635 I758 C759 T762 N766 I767 L768	C502-E764 HydrophobicContact CB-CG 4.21Å; K635-E764 WeakPolarHBondContact CE-OE2 3.36Å; K635-E764 IonicContact NZ-OE1 3.57Å; K635-E764 PolarHBondContact NZ-OE1 3.29Å; K635-E764 IonicContact NZ-OE2 3.72Å; K635-E764 PolarHBondContact NZ-OE2 3.11Å; I758-E764 HydrophobicContact CG2-CB 4.11Å; C759-E764 PolarHBondContact N-OE2 3.49Å; T762-E764 PolarHBondContact O-N 3.22Å; T762-E764 PolarHBondContact OG1-N 3.25Å; E764-N766 VanDerWaalsContact C-N 3.34Å; E764-I767 WeakPolarHBondContact O-CB 3.11Å; E764-I767 PolarHBondContact O-N 3.01Å; E764-L768 PolarHBondContact O-N 3.47Å
765	E	88.5	Confident	87.2	Confident	70 Å²	70	42.5 Å²	42.5	33%	0.327	20%	0.198	S	C	.	.	H	α-helix	trans	-63	-43	175.7	-172.2	172.8	-179.8	0	0	110.9	R761 T762 V763 I767 L768 I769	R761-E765 PolarHBondContact N-OE2 2.88Å; T762-E765 PolarHBondContact O-N 2.97Å; V763-E765 VanDerWaalsContact C-N 3.29Å; V763-E765 PolarHBondContact O-N 2.86Å; E765-I767 VanDerWaalsContact C-N 3.33Å; E765-I767 PolarHBondContact O-N 3.38Å; E765-L768 WeakPolarHBondContact O-CB 3.22Å; E765-L768 PolarHBondContact O-N 2.86Å; E765-I769 WeakPolarHBondContact O-CG1 2.97Å; E765-I769 PolarHBondContact O-N 3.02Å
766	N	85.9	Confident	86.3	Confident	99 Å²	99	45 Å²	45	53%	0.529	21%	0.21	S	C	.	.	H	α-helix	trans	-66.4	-35.1	175.4	-65.8	-22.6	0	0	0	112.3	V763 E764 L768 I769 K770	V763-N766 WeakPolarHBondContact O-CB 3.08Å; V763-N766 PolarHBondContact O-N 2.92Å; V763-N766 VanDerWaalsContact O-N 3.13Å; E764-N766 VanDerWaalsContact C-N 3.34Å; N766-L768 VanDerWaalsContact C-N 3.33Å; N766-I769 PolarHBondContact O-N 3Å; N766-K770 WeakPolarHBondContact O-CG 3.43Å; N766-K770 PolarHBondContact O-N 3.23Å
767	I	87	Confident	85.2	Confident	10 Å²	10	46 Å²	46	5%	0.051	22%	0.215	C	C	.	.	H	α-helix	trans	-62	-43.9	174	-63.4	175.5	0	0	0	109.9	R499 W731 V763 E764 E765 K770 A771	R499-I767 HydrophobicContact CG-CD1 4.28Å; W731-I767 HydrophobicContact CD2-CG2 4.44Å; W731-I767 HydrophobicContact CE3-CD1 4.39Å; W731-I767 HydrophobicContact CE3-CG1 4.13Å; W731-I767 HydrophobicContact CE3-CG2 4.04Å; W731-I767 HydrophobicContact CH2-CD1 3.46Å; W731-I767 VanDerWaalsContact CH2-CD1 3.46Å; W731-I767 HydrophobicContact CH2-CG1 3.57Å; W731-I767 HydrophobicContact CZ2-CD1 3.66Å; W731-I767 HydrophobicContact CZ2-CG1 4.26Å; W731-I767 HydrophobicContact CZ3-CB 4.42Å; W731-I767 HydrophobicContact CZ3-CD1 3.89Å; W731-I767 HydrophobicContact CZ3-CG1 3.53Å; W731-I767 HydrophobicContact CZ3-CG2 4.29Å; V763-I767 HydrophobicContact CG1-CD1 3.93Å; V763-I767 HydrophobicContact CG1-CG1 4.08Å; V763-I767 WeakPolarHBondContact O-CG1 3.42Å; V763-I767 PolarHBondContact O-N 3.24Å; E764-I767 WeakPolarHBondContact O-CB 3.11Å; E764-I767 PolarHBondContact O-N 3.01Å; E765-I767 VanDerWaalsContact C-N 3.33Å; E765-I767 PolarHBondContact O-N 3.38Å; I767-K770 PolarHBondContact O-N 2.97Å; I767-A771 VanDerWaalsContact O-CB 3.27Å; I767-A771 WeakPolarHBondContact O-CB 3.39Å; I767-A771 PolarHBondContact O-N 2.92Å
768	L	86.9	Confident	84.1	Confident	26 Å²	26	46.7 Å²	46.7	14%	0.136	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-46.2	177.5	-177.6	71.2	0	0	0	111.8	V457 I758 E764 E765 N766 K770 A771 N772	V457-L768 HydrophobicContact CG1-CD2 4.31Å; I758-L768 HydrophobicContact CD1-CB 3.94Å; I758-L768 HydrophobicContact CD1-CD1 3.8Å; I758-L768 HydrophobicContact CD1-CD2 3.17Å; I758-L768 HydrophobicContact CD1-CG 3.78Å; E764-L768 PolarHBondContact O-N 3.47Å; E765-L768 WeakPolarHBondContact O-CB 3.22Å; E765-L768 PolarHBondContact O-N 2.86Å; N766-L768 VanDerWaalsContact C-N 3.33Å; L768-K770 VanDerWaalsContact C-N 3.34Å; L768-K770 PolarHBondContact O-N 3.39Å; L768-A771 PolarHBondContact O-N 3.13Å; L768-N772 WeakPolarHBondContact O-CB 3.37Å; L768-N772 PolarHBondContact O-N 3.01Å; L768-N772 PolarHBondContact O-ND2 3.18Å
769	I	86.2	Confident	83.2	Confident	62 Å²	62	50.3 Å²	50.3	32%	0.318	24%	0.24	S	C	.	.	H	α-helix	trans	-58.5	-48.6	179.7	-66.4	165.5	0	0	0	110	E765 N766 A771 N772 Q773	E765-I769 WeakPolarHBondContact O-CG1 2.97Å; E765-I769 PolarHBondContact O-N 3.02Å; N766-I769 PolarHBondContact O-N 3Å; I769-A771 PolarHBondContact O-N 3.46Å; I769-N772 PolarHBondContact O-N 3.29Å; I769-Q773 WeakPolarHBondContact O-CG 3.3Å; I769-Q773 PolarHBondContact O-N 3.46Å
770	K	80.6	Confident	82.1	Confident	65 Å²	65	52.9 Å²	52.9	28%	0.283	25%	0.253	S	S	.	.	H	α-helix	trans	-63.2	-40.9	176.7	-74.4	-167.2	169.1	-161	0	112.8	N766 I767 L768 N772 Q773 K774 E810	N766-K770 WeakPolarHBondContact O-CG 3.43Å; N766-K770 PolarHBondContact O-N 3.23Å; I767-K770 PolarHBondContact O-N 2.97Å; L768-K770 VanDerWaalsContact C-N 3.34Å; L768-K770 PolarHBondContact O-N 3.39Å; K770-N772 VanDerWaalsContact C-N 3.31Å; K770-N772 PolarHBondContact O-N 2.9Å; K770-Q773 WeakPolarHBondContact O-CB 3.32Å; K770-Q773 PolarHBondContact O-N 3.16Å; K770-K774 PolarHBondContact O-N 3.05Å; K770-E810 IonicContact NZ-OE1 3.53Å; K770-E810 PolarHBondContact NZ-OE1 3.46Å
771	A	82.9	Confident	81.1	Confident	8 Å²	8	51.9 Å²	51.9	7%	0.066	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-38.8	176.9	0	0	0	0	0	111.5	P733 I767 L768 I769 K774 R775	P733-A771 HydrophobicContact CB-CB 4.37Å; P733-A771 WeakPolarHBondContact CG-O 3.18Å; I767-A771 VanDerWaalsContact O-CB 3.27Å; I767-A771 WeakPolarHBondContact O-CB 3.39Å; I767-A771 PolarHBondContact O-N 2.92Å; L768-A771 PolarHBondContact O-N 3.13Å; I769-A771 PolarHBondContact O-N 3.46Å; A771-K774 PolarHBondContact O-N 2.93Å; A771-R775 WeakPolarHBondContact O-CB 3.4Å; A771-R775 PolarHBondContact O-N 2.93Å
772	N	84	Confident	80.3	Confident	54 Å²	54	41.6 Å²	41.6	29%	0.289	21%	0.207	S	C	.	.	H	α-helix	trans	-68.2	-36.3	175.2	-75	-22.5	0	0	0	112.4	L768 I769 K770 R775 K776	L768-N772 WeakPolarHBondContact O-CB 3.37Å; L768-N772 PolarHBondContact O-N 3.01Å; L768-N772 PolarHBondContact O-ND2 3.18Å; I769-N772 PolarHBondContact O-N 3.29Å; K770-N772 VanDerWaalsContact C-N 3.31Å; K770-N772 PolarHBondContact O-N 2.9Å; N772-R775 PolarHBondContact O-N 3.26Å; N772-K776 WeakPolarHBondContact O-CG 3.38Å; N772-K776 PolarHBondContact O-N 3.43Å
773	Q	77.5	Confident	79.1	Confident	40 Å²	40	44.6 Å²	44.6	19%	0.187	22%	0.221	C	C	.	.	H	α-helix	trans	-60.9	-47.4	171.1	-71.4	168.2	-22.9	0	0	111.2	I416 I769 K770 R775 K776 L777 W801	I416-Q773 HydrophobicContact CG2-CB 4.43Å; I769-Q773 WeakPolarHBondContact O-CG 3.3Å; I769-Q773 PolarHBondContact O-N 3.46Å; K770-Q773 WeakPolarHBondContact O-CB 3.32Å; K770-Q773 PolarHBondContact O-N 3.16Å; Q773-R775 VanDerWaalsContact C-N 3.32Å; Q773-R775 PolarHBondContact O-N 3.29Å; Q773-K776 PolarHBondContact O-N 2.98Å; Q773-L777 PolarHBondContact O-N 2.83Å; Q773-W801 HydrophobicContact CG-CH2 4.04Å
774	K	76.6	Confident	77.7	Confident	46 Å²	46	47.2 Å²	47.2	20%	0.2	23%	0.231	C	C	.	.	H	α-helix	trans	-62.4	-37.2	175.8	-70.2	-174.5	179.2	-174.2	0	112.4	P733 K770 A771 L777 G778 D814	P733-K774 HydrophobicContact CG-CB 4.18Å; K770-K774 PolarHBondContact O-N 3.05Å; A771-K774 PolarHBondContact O-N 2.93Å; K774-L777 PolarHBondContact O-N 3.26Å; K774-G778 PolarHBondContact O-N 3.22Å; K774-D814 IonicContact NZ-OD2 2.77Å
775	R	78.8	Confident	76	Confident	58 Å²	58	48.1 Å²	48.1	22%	0.219	25%	0.245	C	C	.	.	H	α-helix	trans	-63.2	-49.2	174.6	-172.1	-178.6	-66.4	166.9	-2	111.2	E455 P733 A771 N772 Q773 L777 G778 E779	E455-R775 IonicContact OE2-NH1 3.8Å; E455-R775 PolarHBondContact OE2-NH1 3.25Å; P733-R775 HydrophobicContact CB-CB 4.36Å; P733-R775 HydrophobicContact CG-CB 4.37Å; A771-R775 WeakPolarHBondContact O-CB 3.4Å; A771-R775 PolarHBondContact O-N 2.93Å; N772-R775 PolarHBondContact O-N 3.26Å; Q773-R775 VanDerWaalsContact C-N 3.32Å; Q773-R775 PolarHBondContact O-N 3.29Å; R775-L777 VanDerWaalsContact C-N 3.31Å; R775-L777 PolarHBondContact O-N 3.01Å; R775-G778 PolarHBondContact O-N 2.61Å; R775-E779 WeakPolarHBondContact CG-OE1 3.48Å; R775-E779 WeakPolarHBondContact O-CG 3.36Å; R775-E779 PolarHBondContact O-N 2.77Å
776	K	75.9	Confident	74.1	Confident	97 Å²	97	47 Å²	47	42%	0.422	24%	0.244	S	C	.	.	H	α-helix	trans	-58.4	-39.8	176.6	-74.2	178.4	179.5	-173.9	0	112.4	N772 Q773 G778 E779 L780	N772-K776 WeakPolarHBondContact O-CG 3.38Å; N772-K776 PolarHBondContact O-N 3.43Å; Q773-K776 PolarHBondContact O-N 2.98Å; K776-G778 VanDerWaalsContact C-N 3.33Å; K776-G778 PolarHBondContact O-N 2.65Å; K776-E779 PolarHBondContact O-N 3.2Å; K776-L780 WeakPolarHBondContact O-CB 3.27Å; K776-L780 VanDerWaalsContact O-CG 3.31Å; K776-L780 WeakPolarHBondContact O-CG 3.49Å; K776-L780 PolarHBondContact O-N 3.23Å
777	L	72.3	Confident	72	Confident	24 Å²	24	50.5 Å²	50.5	13%	0.126	26%	0.255	C	S	.	.	H	α-helix	trans	-57.4	-46.2	173.1	171.4	57.6	0	0	0	111.8	L383 I416 Q773 K774 R775 E779 A781	L383-L777 HydrophobicContact CD1-CD1 4.26Å; L383-L777 HydrophobicContact CG-CD1 4.49Å; I416-L777 HydrophobicContact CD1-CB 3.48Å; I416-L777 VanDerWaalsContact CD1-CB 3.48Å; I416-L777 HydrophobicContact CD1-CD1 3.21Å; I416-L777 HydrophobicContact CD1-CD2 3.96Å; I416-L777 HydrophobicContact CD1-CG 3.65Å; Q773-L777 PolarHBondContact O-N 2.83Å; K774-L777 PolarHBondContact O-N 3.26Å; R775-L777 VanDerWaalsContact C-N 3.31Å; R775-L777 PolarHBondContact O-N 3.01Å; L777-E779 VanDerWaalsContact C-N 3.35Å; L777-A781 VanDerWaalsContact O-CB 3.26Å; L777-A781 WeakPolarHBondContact O-CB 3.33Å; L777-A781 PolarHBondContact O-N 3.26Å
778	G	72.7	Confident	69.3	Low	16 Å²	16	58.3 Å²	58.3	17%	0.165	28%	0.284	C	S	.	.	H	α-helix	trans	-65.9	-37.1	178.4	0	0	0	0	0	113.1	K774 R775 K776 I782	K774-G778 PolarHBondContact O-N 3.22Å; R775-G778 PolarHBondContact O-N 2.61Å; K776-G778 VanDerWaalsContact C-N 3.33Å; K776-G778 PolarHBondContact O-N 2.65Å; G778-I782 PolarHBondContact O-N 3.07Å
779	E	74	Confident	66.4	Low	79 Å²	79	62.3 Å²	62.3	37%	0.369	31%	0.311	S	S	.	.	H	α-helix	trans	-65	-52.5	174.1	-69.4	171.5	-176.4	0	0	110.7	R775 K776 L777 A781 I782 E783	R775-E779 WeakPolarHBondContact CG-OE1 3.48Å; R775-E779 WeakPolarHBondContact O-CG 3.36Å; R775-E779 PolarHBondContact O-N 2.77Å; K776-E779 PolarHBondContact O-N 3.2Å; L777-E779 VanDerWaalsContact C-N 3.35Å; E779-A781 PolarHBondContact O-N 2.97Å; E779-I782 PolarHBondContact O-N 3.03Å; E779-E783 WeakPolarHBondContact O-CA 3.36Å; E779-E783 WeakPolarHBondContact O-CB 3.17Å; E779-E783 PolarHBondContact O-N 2.86Å
780	L	70.9	Confident	63.7	Low	54 Å²	54	67 Å²	67	28%	0.283	34%	0.337	S	S	.	.	H	α-helix	trans	-59.8	-46.1	179	-70.5	171.4	0	0	0	112.6	F422 K776 I782 E784	F422-L780 HydrophobicContact CE2-CD1 4.42Å; F422-L780 HydrophobicContact CE2-CD2 4.15Å; K776-L780 WeakPolarHBondContact O-CB 3.27Å; K776-L780 VanDerWaalsContact O-CG 3.31Å; K776-L780 WeakPolarHBondContact O-CG 3.49Å; K776-L780 PolarHBondContact O-N 3.23Å; L780-I782 VanDerWaalsContact C-N 3.27Å; L780-I782 PolarHBondContact O-N 2.89Å; L780-E784 HydrophobicContact CD2-CG 4.32Å; L780-E784 WeakPolarHBondContact CD2-OE1 3.43Å
781	A	69.3	Low	61.4	Low	6 Å²	6	72 Å²	72	5%	0.05	36%	0.359	C	S	.	.	H	α-helix	trans	-68.3	-25.4	-174.5	0	0	0	0	0	113.4	L379 L383 H431 L777 E779	L379-A781 HydrophobicContact CD1-CB 3.39Å; L383-A781 HydrophobicContact CD2-CB 4.12Å; H431-A781 PolarHBondContact CD2-O 3.08Å; H431-A781 PolarHBondContact NE2-O 2.98Å; L777-A781 VanDerWaalsContact O-CB 3.26Å; L777-A781 WeakPolarHBondContact O-CB 3.33Å; L777-A781 PolarHBondContact O-N 3.26Å; E779-A781 PolarHBondContact O-N 2.97Å
782	I	71.1	Confident	59	Low	17 Å²	17	78.5 Å²	78.5	9%	0.087	39%	0.392	C	S	.	.	H	α-helix	trans	-125.6	-40.3	-171.6	-51.2	161.1	0	0	0	113.1	P378 L379 L438 G778 E779 L780 G785	P378-I782 HydrophobicContact CB-CD1 3.77Å; P378-I782 HydrophobicContact CG-CD1 3.81Å; L379-I782 HydrophobicContact CB-CD1 3.85Å; L379-I782 HydrophobicContact CD1-CD1 3.63Å; L379-I782 HydrophobicContact CD1-CG1 3.66Å; L379-I782 HydrophobicContact CG-CD1 3.77Å; L379-I782 HydrophobicContact CG-CG1 4.28Å; L438-I782 HydrophobicContact CD2-CG2 4.29Å; G778-I782 PolarHBondContact O-N 3.07Å; E779-I782 PolarHBondContact O-N 3.03Å; L780-I782 VanDerWaalsContact C-N 3.27Å; L780-I782 PolarHBondContact O-N 2.89Å; I782-G785 PolarHBondContact O-N 3.35Å
783	E	64.1	Low	56.4	Low	71 Å²	71	87.6 Å²	87.6	33%	0.332	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-77	-31.1	-175.9	-59.2	-174.2	176.6	0	0	112.9	R440 E779 G785 C786	R440-E783 IonicContact CZ-OE1 3.97Å; R440-E783 VanDerWaalsContact NH1-CG 3.31Å; R440-E783 IonicContact NH1-OE1 3.06Å; R440-E783 IonicContact NH2-OE1 2.85Å; R440-E783 PolarHBondContact NH2-OE1 2.99Å; E779-E783 WeakPolarHBondContact O-CA 3.36Å; E779-E783 WeakPolarHBondContact O-CB 3.17Å; E779-E783 PolarHBondContact O-N 2.86Å; E783-G785 PolarHBondContact O-N 2.84Å; E783-G785 VanDerWaalsContact O-N 3.11Å; E783-C786 PolarHBondContact O-N 3.34Å
784	E	57.2	Low	54.3	Low	75 Å²	75	94.7 Å²	94.7	35%	0.35	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-64.6	-13.3	172.1	-72.1	-163.6	157	0	0	113.1	H431 L780 C786	H431-E784 VanDerWaalsContact CE1-C 3.49Å; L780-E784 HydrophobicContact CD2-CG 4.32Å; L780-E784 WeakPolarHBondContact CD2-OE1 3.43Å; E784-C786 PolarHBondContact O-N 3.43Å
785	G	53.3	Low	52.4	Low	34 Å²	34	96.4 Å²	96.4	35%	0.351	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-67.9	-8.7	171	0	0	0	0	0	114.2	H431 I782 E783	H431-G785 PolarHBondContact CE1-N 3.46Å; I782-G785 PolarHBondContact O-N 3.35Å; E783-G785 PolarHBondContact O-N 2.84Å; E783-G785 VanDerWaalsContact O-N 3.11Å
786	C	49.3	Very low	50	Low	47 Å²	47	100.9 Å²	100.9	32%	0.318	50%	0.498	S	S	.	.	S	Bend	trans	-112.3	82.2	178.7	-68.5	0	0	0	0	111.8	E783 E784 R788	E783-C786 PolarHBondContact O-N 3.34Å; E784-C786 PolarHBondContact O-N 3.43Å; C786-R788 PolarHBondContact O-N 2.92Å
787	F	42.4	Very low	48	Very low	171 Å²	171	102.3 Å²	102.3	75%	0.75	51%	0.509	S	S	*	.			trans	-6.8	86.3	168.2	-59.4	-88.7	0	0	0	118
788	R	30.3	Very low	46	Very low	175 Å²	175	112.2 Å²	112.2	66%	0.66	55%	0.545	S	S	*	.			trans	-117.5	123.9	158.2	-66.3	-169.8	-176.9	-174.6	4.2	110.1	C786	C786-R788 PolarHBondContact O-N 2.92Å
789	P	25.1	Very low	44	Very low	110 Å²	110	117.3 Å²	117.3	71%	0.714	57%	0.567	S	S	*	*	S	Bend	trans	-75.8	135.2	157.4	32.4	-26.3	0	0	0	107.2
790	N	28.6	Very low	41.7	Very low	160 Å²	160	117.4 Å²	117.4	86%	0.856	59%	0.589	S	S	*	*			trans	92.7	53.3	164.8	-43.7	-25.3	0	0	0	119
791	F	33.9	Very low	39.8	Very low	171 Å²	171	120 Å²	120	75%	0.75	60%	0.595	S	S	*	*			trans	-115.9	-9.9	161.3	-154.4	-103.9	0	0	0	115.1	R793	F791-R793 VanDerWaalsContact C-N 3.34Å; F791-R793 PolarHBondContact O-N 2.82Å; F791-R793 VanDerWaalsContact O-N 3.13Å
792	L	31.3	Very low	37.9	Very low	144 Å²	144	127.2 Å²	127.2	75%	0.754	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	37	-173.9	-78.7	170.7	0	0	0	115.7
793	R	30.1	Very low	36.2	Very low	245 Å²	245	131.3 Å²	131.3	93%	0.925	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.6	-5.9	179.1	-77.9	-170.6	-178	177.1	1.5	117.5	F791	F791-R793 VanDerWaalsContact C-N 3.34Å; F791-R793 PolarHBondContact O-N 2.82Å; F791-R793 VanDerWaalsContact O-N 3.13Å
794	E	34.2	Very low	34.8	Very low	189 Å²	189	136 Å²	136	88%	0.883	68%	0.68	S	S	*	*			trans	-143.5	74.8	178.4	-71.3	178.9	167.3	0	0	111.5
795	V	35.4	Very low	33.8	Very low	81 Å²	81	137 Å²	137	49%	0.491	70%	0.702	S	S	.	*			trans	-129	96.9	160.1	-175.3	0	0	0	0	107.4	L797	V795-L797 HydrophobicContact CG1-CD1 4.33Å; V795-L797 HydrophobicContact CG1-CG 4.08Å; V795-L797 PolarHBondContact O-N 3Å
796	D	29.7	Very low	33.2	Very low	153 Å²	153	139.2 Å²	139.2	82%	0.818	70%	0.704	S	S	*	*			trans	-67	97.8	169.4	-102.4	-29.2	0	0	0	109.4	R798	D796-R798 PolarHBondContact O-N 3.45Å
797	L	33.7	Very low	32.8	Very low	126 Å²	126	139.1 Å²	139.1	66%	0.66	71%	0.706	S	S	*	*			trans	-81.6	20.7	177	-87.3	146	0	0	0	113.3	V795 I799	V795-L797 HydrophobicContact CG1-CD1 4.33Å; V795-L797 HydrophobicContact CG1-CG 4.08Å; V795-L797 PolarHBondContact O-N 3Å; L797-I799 PolarHBondContact O-N 2.88Å
798	R	29.2	Very low	32.6	Very low	233 Å²	233	138.8 Å²	138.8	88%	0.879	71%	0.712	S	S	*	*			trans	-92.8	48.4	-175.8	-70.4	-171.9	-175.2	-176.7	3.7	114.5	D796	D796-R798 PolarHBondContact O-N 3.45Å
799	I	30.6	Very low	33	Very low	123 Å²	123	132.6 Å²	132.6	63%	0.631	70%	0.698	S	S	*	*	S	Bend	trans	-107.4	109.6	161.8	-58.3	178.5	0	0	0	105.5	L797 W801	L797-I799 PolarHBondContact O-N 2.88Å; I799-W801 PolarHBondContact O-N 3.15Å; I799-W801 PolarHBondContact O-NE1 3.09Å
800	G	25.8	Very low	34.1	Very low	80 Å²	80	129.8 Å²	129.8	83%	0.825	68%	0.675	S	S	*	*			trans	-59.6	127.5	-176	0	0	0	0	0	112
801	W	31.5	Very low	35	Very low	109 Å²	109	126.7 Å²	126.7	41%	0.413	66%	0.659	S	S	.	*			trans	-113.7	103.4	-176.6	-63.9	-9	0	0	0	109.8	Q773 I799	Q773-W801 HydrophobicContact CG-CH2 4.04Å; I799-W801 PolarHBondContact O-N 3.15Å; I799-W801 PolarHBondContact O-NE1 3.09Å
802	D	28.3	Very low	35.6	Very low	158 Å²	158	123.9 Å²	123.9	85%	0.845	65%	0.652	S	S	*	*			trans	-115.9	78.5	168.6	-104.3	-23.7	0	0	0	108.4
803	V	36	Very low	36.5	Very low	102 Å²	102	117.9 Å²	117.9	62%	0.618	62%	0.621	S	S	*	*			trans	-142.7	59.1	168.9	-161.1	0	0	0	0	110.7	A805 M806	V803-A805 PolarHBondContact O-N 3.31Å; V803-A805 VanDerWaalsContact O-N 3.14Å; V803-M806 HydrophobicContact CG1-CG 4.33Å
804	Q	34.5	Very low	37.4	Very low	170 Å²	170	108.9 Å²	108.9	79%	0.794	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-1.8	-178.4	-148.7	80.4	17.2	0	0	114.8
805	A	37.4	Very low	38.1	Very low	97 Å²	97	102.3 Å²	102.3	80%	0.802	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	-0.7	-168.6	0	0	0	0	0	115.8	V803	V803-A805 PolarHBondContact O-N 3.31Å; V803-A805 VanDerWaalsContact O-N 3.14Å
806	M	40.8	Very low	38.8	Very low	80 Å²	80	100.6 Å²	100.6	39%	0.394	55%	0.554	S	S	.	*	S	Bend	trans	-110.6	-24.4	-176.2	-75.4	-108.6	111	0	0	114.3	V491 V803 E810	V491-M806 HydrophobicContact CG1-CE 4.15Å; V491-M806 HydrophobicContact CG2-CE 4.5Å; V803-M806 HydrophobicContact CG1-CG 4.33Å; M806-E810 VanDerWaalsContact O-CG 3.32Å; M806-E810 WeakPolarHBondContact O-CG 3.19Å
807	A	39.4	Very low	39.7	Very low	44 Å²	44	94.6 Å²	94.6	36%	0.364	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-70.4	-34.6	-168.6	0	0	0	0	0	114.1	A809 E810	A807-A809 PolarHBondContact O-N 3.04Å; A807-E810 PolarHBondContact O-N 3.5Å
808	D	37.9	Very low	40.3	Very low	165 Å²	165	91.2 Å²	91.2	88%	0.882	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-75.6	-7.8	-172.9	-68.5	-23.9	0	0	0	114.8
809	A	40.2	Very low	41	Very low	44 Å²	44	86.9 Å²	86.9	36%	0.364	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-97.2	-9.1	177.7	0	0	0	0	0	113.3	V488 A807 D811 T813	V488-A809 HydrophobicContact CG2-CB 3.73Å; A807-A809 PolarHBondContact O-N 3.04Å; A809-D811 PolarHBondContact O-N 3.39Å; A809-T813 HydrophobicContact CB-CG2 4.17Å; A809-T813 WeakPolarHBondContact O-CG2 3.2Å; A809-T813 PolarHBondContact O-OG1 3.09Å
810	E	46.7	Very low	42	Very low	51 Å²	51	83.1 Å²	83.1	24%	0.238	49%	0.486	C	S	.	.	H	α-helix	trans	-71.5	-23.2	-154.7	-65.6	-168	168.6	0	0	116.2	K770 M806 A807 T813 D814	K770-E810 IonicContact NZ-OE1 3.53Å; K770-E810 PolarHBondContact NZ-OE1 3.46Å; M806-E810 VanDerWaalsContact O-CG 3.32Å; M806-E810 WeakPolarHBondContact O-CG 3.19Å; A807-E810 PolarHBondContact O-N 3.5Å; E810-T813 VanDerWaalsContact C-OG1 3.27Å; E810-T813 WeakPolarHBondContact CA-OG1 3.25Å; E810-T813 PolarHBondContact O-N 3.09Å; E810-T813 PolarHBondContact O-OG1 3.14Å; E810-D814 PolarHBondContact O-N 3.35Å
811	D	49.3	Very low	42.9	Very low	95 Å²	95	80.3 Å²	80.3	51%	0.508	46%	0.455	S	S	.	.	H	α-helix	trans	-76	-38.8	-173.5	-83	-20.4	0	0	0	114.5	R405 A809 T813	R405-D811 IonicContact NH2-OD2 3.57Å; A809-D811 PolarHBondContact O-N 3.39Å; D811-T813 VanDerWaalsContact C-N 3.32Å
812	D	46.2	Very low	43.5	Very low	112 Å²	112	78.5 Å²	78.5	60%	0.599	46%	0.459	S	S	*	.	H	α-helix	trans	-80.8	-21	173.2	-81.1	-29.4	0	0	0	110.8	V816	D812-V816 WeakPolarHBondContact O-CB 3.43Å; D812-V816 WeakPolarHBondContact O-CG2 3.43Å; D812-V816 PolarHBondContact O-N 3.12Å; D812-V816 VanDerWaalsContact O-N 3.08Å
813	T	49.6	Very low	44.3	Very low	19 Å²	19	73.6 Å²	73.6	12%	0.117	44%	0.44	C	S	.	.	H	α-helix	trans	-82.6	-27.9	-172.6	63.7	0	0	0	0	113.2	V488 A809 E810 D811 V816 A817	V488-T813 HydrophobicContact CB-CG2 3.41Å; V488-T813 VanDerWaalsContact CB-CG2 3.41Å; V488-T813 HydrophobicContact CG1-CG2 3.23Å; V488-T813 HydrophobicContact CG2-CG2 3.53Å; A809-T813 HydrophobicContact CB-CG2 4.17Å; A809-T813 WeakPolarHBondContact O-CG2 3.2Å; A809-T813 PolarHBondContact O-OG1 3.09Å; E810-T813 VanDerWaalsContact C-OG1 3.27Å; E810-T813 WeakPolarHBondContact CA-OG1 3.25Å; E810-T813 PolarHBondContact O-N 3.09Å; E810-T813 PolarHBondContact O-OG1 3.14Å; D811-T813 VanDerWaalsContact C-N 3.32Å; T813-V816 CarbonylContact O-C 3.49Å; T813-V816 PolarHBondContact O-N 3.02Å; T813-A817 WeakPolarHBondContact O-CA 3.46Å; T813-A817 WeakPolarHBondContact O-CB 3.48Å; T813-A817 PolarHBondContact O-N 3.13Å
814	D	49.1	Very low	44.7	Very low	55 Å²	55	72.9 Å²	72.9	29%	0.294	43%	0.43	S	S	.	.	H	α-helix	trans	-73.9	-34	173.7	-79.1	-1.8	0	0	0	111.5	K774 E810 V816 A818	K774-D814 IonicContact NZ-OD2 2.77Å; E810-D814 PolarHBondContact O-N 3.35Å; D814-V816 VanDerWaalsContact C-N 3.34Å; D814-A818 WeakPolarHBondContact O-CB 3.47Å; D814-A818 PolarHBondContact O-N 3.27Å
815	V	49.5	Very low	45.1	Very low	51 Å²	51	66.9 Å²	66.9	31%	0.309	41%	0.409	S	S	.	.	H	α-helix	trans	-67.5	-39.4	171.6	179.7	0	0	0	0	110.4	K819	V815-K819 HydrophobicContact CG1-CD 4.41Å; V815-K819 VanDerWaalsContact O-CB 3.32Å; V815-K819 WeakPolarHBondContact O-CB 3.36Å; V815-K819 VanDerWaalsContact O-CG 3.26Å; V815-K819 WeakPolarHBondContact O-CG 3.49Å; V815-K819 PolarHBondContact O-N 3.31Å
816	V	50	Low	45.4	Very low	46 Å²	46	64.1 Å²	64.1	28%	0.279	39%	0.387	S	S	.	.	H	α-helix	trans	-72.2	-39.3	176.1	175.7	0	0	0	0	111.1	I489 D812 T813 D814 K819 V820	I489-V816 HydrophobicContact CD1-CG1 3.96Å; I489-V816 HydrophobicContact CG1-CG1 3.67Å; D812-V816 WeakPolarHBondContact O-CB 3.43Å; D812-V816 WeakPolarHBondContact O-CG2 3.43Å; D812-V816 PolarHBondContact O-N 3.12Å; D812-V816 VanDerWaalsContact O-N 3.08Å; T813-V816 CarbonylContact O-C 3.49Å; T813-V816 PolarHBondContact O-N 3.02Å; D814-V816 VanDerWaalsContact C-N 3.34Å; V816-K819 CarbonylContact O-C 3.48Å; V816-K819 PolarHBondContact O-N 3.38Å; V816-V820 HydrophobicContact CG1-CG2 4.07Å; V816-V820 WeakPolarHBondContact O-CB 3.5Å; V816-V820 WeakPolarHBondContact O-CG2 3.32Å; V816-V820 PolarHBondContact O-N 3.36Å
817	A	48	Very low	45.2	Very low	27 Å²	27	66.5 Å²	66.5	22%	0.223	40%	0.395	C	S	.	.	H	α-helix	trans	-64.8	-40.9	174.4	0	0	0	0	0	111	I492 T813 V820 A821	I492-A817 HydrophobicContact CD1-CB 3.8Å; T813-A817 WeakPolarHBondContact O-CA 3.46Å; T813-A817 WeakPolarHBondContact O-CB 3.48Å; T813-A817 PolarHBondContact O-N 3.13Å; A817-V820 PolarHBondContact O-N 2.71Å; A817-A821 WeakPolarHBondContact O-CB 3.48Å; A817-A821 PolarHBondContact O-N 3.47Å
818	A	45.6	Very low	45.2	Very low	55 Å²	55	69.7 Å²	69.7	46%	0.455	41%	0.406	S	S	.	.	H	α-helix	trans	-66.9	-37	172.8	0	0	0	0	0	111.8	D814 S822	D814-A818 WeakPolarHBondContact O-CB 3.47Å; D814-A818 PolarHBondContact O-N 3.27Å; A818-S822 WeakPolarHBondContact O-CB 3.43Å; A818-S822 PolarHBondContact O-N 3.09Å; A818-S822 PolarHBondContact O-OG 2.93Å
819	K	44.5	Very low	45.4	Very low	142 Å²	142	67.6 Å²	67.6	62%	0.617	39%	0.389	S	S	*	.	H	α-helix	trans	-68.8	-40.3	173.2	-81.4	177.3	179.4	179.4	0	112.3	V815 V816 S822 A823	V815-K819 HydrophobicContact CG1-CD 4.41Å; V815-K819 VanDerWaalsContact O-CB 3.32Å; V815-K819 WeakPolarHBondContact O-CB 3.36Å; V815-K819 VanDerWaalsContact O-CG 3.26Å; V815-K819 WeakPolarHBondContact O-CG 3.49Å; V815-K819 PolarHBondContact O-N 3.31Å; V816-K819 CarbonylContact O-C 3.48Å; V816-K819 PolarHBondContact O-N 3.38Å; K819-S822 CarbonylContact O-C 3.56Å; K819-S822 PolarHBondContact O-N 3.12Å; K819-A823 WeakPolarHBondContact O-CA 3.43Å; K819-A823 WeakPolarHBondContact O-CB 3.39Å; K819-A823 PolarHBondContact O-N 3.1Å
820	V	51.3	Low	45.3	Very low	43 Å²	43	70.9 Å²	70.9	26%	0.261	40%	0.397	S	S	.	.	H	α-helix	trans	-69.5	-46	177.2	170.4	0	0	0	0	109.2	V816 A817 S822 A823 E824	V816-V820 HydrophobicContact CG1-CG2 4.07Å; V816-V820 WeakPolarHBondContact O-CB 3.5Å; V816-V820 WeakPolarHBondContact O-CG2 3.32Å; V816-V820 PolarHBondContact O-N 3.36Å; A817-V820 PolarHBondContact O-N 2.71Å; V820-S822 VanDerWaalsContact C-N 3.27Å; V820-S822 PolarHBondContact O-N 3.06Å; V820-A823 CarbonylContact O-C 3.55Å; V820-A823 PolarHBondContact O-N 2.98Å; V820-A823 VanDerWaalsContact O-N 3.12Å; V820-E824 HydrophobicContact CG1-CG 4.3Å; V820-E824 WeakPolarHBondContact O-CB 3.12Å; V820-E824 WeakPolarHBondContact O-CG 3.29Å; V820-E824 PolarHBondContact O-N 3.03Å
821	A	45.6	Very low	45	Very low	21 Å²	21	72.2 Å²	72.2	17%	0.174	41%	0.406	C	S	.	.	H	α-helix	trans	-68.1	-25.6	174.8	0	0	0	0	0	113	A817 A825	A817-A821 WeakPolarHBondContact O-CB 3.48Å; A817-A821 PolarHBondContact O-N 3.47Å; A821-A825 WeakPolarHBondContact O-CB 3.49Å; A821-A825 PolarHBondContact O-N 2.89Å; A821-A825 VanDerWaalsContact O-N 3.13Å
822	S	44.1	Very low	44.4	Very low	72 Å²	72	73.5 Å²	73.5	50%	0.503	41%	0.407	S	S	.	.	H	α-helix	trans	-80.2	-32.6	170.3	-62.9	0	0	0	0	112.1	A818 K819 V820 A826	A818-S822 WeakPolarHBondContact O-CB 3.43Å; A818-S822 PolarHBondContact O-N 3.09Å; A818-S822 PolarHBondContact O-OG 2.93Å; K819-S822 CarbonylContact O-C 3.56Å; K819-S822 PolarHBondContact O-N 3.12Å; V820-S822 VanDerWaalsContact C-N 3.27Å; V820-S822 PolarHBondContact O-N 3.06Å; S822-A826 WeakPolarHBondContact O-CB 3.5Å; S822-A826 PolarHBondContact O-N 2.7Å
823	A	44.7	Very low	44.1	Very low	54 Å²	54	72.3 Å²	72.3	45%	0.446	40%	0.398	S	S	.	.	H	α-helix	trans	-75	-37.6	176.5	0	0	0	0	0	110.8	K819 V820 A826 F827	K819-A823 WeakPolarHBondContact O-CA 3.43Å; K819-A823 WeakPolarHBondContact O-CB 3.39Å; K819-A823 PolarHBondContact O-N 3.1Å; V820-A823 CarbonylContact O-C 3.55Å; V820-A823 PolarHBondContact O-N 2.98Å; V820-A823 VanDerWaalsContact O-N 3.12Å; A823-A826 CarbonylContact O-C 3.54Å; A823-A826 PolarHBondContact O-N 3.24Å; A823-F827 VanDerWaalsContact O-CB 3.31Å; A823-F827 WeakPolarHBondContact O-CB 3.48Å; A823-F827 PolarHBondContact O-N 3.31Å
824	E	44.7	Very low	43.7	Very low	87 Å²	87	77.7 Å²	77.7	41%	0.407	42%	0.422	S	S	.	.	H	α-helix	trans	-66	-46.2	170.3	-74.9	179.9	165.6	0	0	110	V820 A826 F827 D828	V820-E824 HydrophobicContact CG1-CG 4.3Å; V820-E824 WeakPolarHBondContact O-CB 3.12Å; V820-E824 WeakPolarHBondContact O-CG 3.29Å; V820-E824 PolarHBondContact O-N 3.03Å; E824-A826 PolarHBondContact O-N 3.32Å; E824-F827 PolarHBondContact O-N 2.99Å; E824-D828 WeakPolarHBondContact O-CB 3.31Å; E824-D828 PolarHBondContact O-N 3.45Å
825	A	43.5	Very low	43.3	Very low	44 Å²	44	79.5 Å²	79.5	36%	0.364	43%	0.431	S	S	.	.	H	α-helix	trans	-66.1	-23.1	173.5	0	0	0	0	0	113.3	A821 K829	A821-A825 WeakPolarHBondContact O-CB 3.49Å; A821-A825 PolarHBondContact O-N 2.89Å; A821-A825 VanDerWaalsContact O-N 3.13Å; A825-K829 WeakPolarHBondContact O-CB 3.47Å; A825-K829 PolarHBondContact O-N 2.84Å
826	A	42.2	Very low	43	Very low	40 Å²	40	80.9 Å²	80.9	33%	0.331	44%	0.435	S	S	.	.	H	α-helix	trans	-82.8	-35.2	172.4	0	0	0	0	0	111.7	S822 A823 E824 K829 E830	S822-A826 WeakPolarHBondContact O-CB 3.5Å; S822-A826 PolarHBondContact O-N 2.7Å; A823-A826 CarbonylContact O-C 3.54Å; A823-A826 PolarHBondContact O-N 3.24Å; E824-A826 PolarHBondContact O-N 3.32Å; A826-K829 CarbonylContact O-C 3.53Å; A826-K829 WeakPolarHBondContact O-CA 3.19Å; A826-K829 WeakPolarHBondContact O-CB 3.34Å; A826-K829 PolarHBondContact O-N 3.08Å; A826-K829 VanDerWaalsContact O-N 3.16Å; A826-E830 WeakPolarHBondContact O-CB 3.44Å; A826-E830 WeakPolarHBondContact O-CG 3.34Å; A826-E830 PolarHBondContact O-N 3.25Å
827	F	36.6	Very low	42.7	Very low	129 Å²	129	83.6 Å²	83.6	57%	0.566	44%	0.444	S	S	*	.	H	α-helix	trans	-67.8	-45.9	174.5	-129.1	-87.8	0	0	0	110.3	A823 E824 K829 E830 D831	A823-F827 VanDerWaalsContact O-CB 3.31Å; A823-F827 WeakPolarHBondContact O-CB 3.48Å; A823-F827 PolarHBondContact O-N 3.31Å; E824-F827 PolarHBondContact O-N 2.99Å; F827-K829 PolarHBondContact O-N 2.82Å; F827-E830 PolarHBondContact O-N 3.24Å; F827-E830 VanDerWaalsContact O-N 3.12Å; F827-D831 WeakPolarHBondContact O-CB 3.48Å; F827-D831 PolarHBondContact O-N 3.48Å
828	D	40.5	Very low	42.7	Very low	112 Å²	112	86.7 Å²	86.7	60%	0.599	46%	0.457	S	S	*	.	H	α-helix	trans	-58.5	-35.3	170.3	-72.3	-19.2	0	0	0	110	E824 F832	E824-D828 WeakPolarHBondContact O-CB 3.31Å; E824-D828 PolarHBondContact O-N 3.45Å; D828-F832 WeakPolarHBondContact O-CB 3.38Å; D828-F832 PolarHBondContact O-N 3.22Å
829	K	42.3	Very low	42.7	Very low	121 Å²	121	90 Å²	90	53%	0.526	46%	0.463	S	S	.	.	H	α-helix	trans	-72.6	-37.1	174.7	-120.9	176.7	161.5	-82.9	0	113.2	A825 A826 F827 F832 E833	A825-K829 WeakPolarHBondContact O-CB 3.47Å; A825-K829 PolarHBondContact O-N 2.84Å; A826-K829 CarbonylContact O-C 3.53Å; A826-K829 WeakPolarHBondContact O-CA 3.19Å; A826-K829 WeakPolarHBondContact O-CB 3.34Å; A826-K829 PolarHBondContact O-N 3.08Å; A826-K829 VanDerWaalsContact O-N 3.16Å; F827-K829 PolarHBondContact O-N 2.82Å; K829-F832 PolarHBondContact O-N 3.49Å; K829-E833 IonicContact NZ-OE1 2.92Å; K829-E833 PolarHBondContact NZ-OE1 3Å; K829-E833 WeakPolarHBondContact O-CA 3.26Å; K829-E833 WeakPolarHBondContact O-CB 3.48Å; K829-E833 WeakPolarHBondContact O-CG 3.46Å; K829-E833 PolarHBondContact O-N 3.35Å
830	E	36.7	Very low	42.7	Very low	112 Å²	112	88.6 Å²	88.6	52%	0.523	46%	0.458	S	S	.	.	H	α-helix	trans	-73.3	-41.2	178.9	-78	175.7	-174.7	0	0	110	A826 F827 F832 E833 E834	A826-E830 WeakPolarHBondContact O-CB 3.44Å; A826-E830 WeakPolarHBondContact O-CG 3.34Å; A826-E830 PolarHBondContact O-N 3.25Å; F827-E830 PolarHBondContact O-N 3.24Å; F827-E830 VanDerWaalsContact O-N 3.12Å; E830-F832 VanDerWaalsContact C-N 3.3Å; E830-F832 PolarHBondContact O-N 2.98Å; E830-E833 PolarHBondContact O-N 3.19Å; E830-E834 WeakPolarHBondContact O-CB 3.18Å; E830-E834 WeakPolarHBondContact O-CG 3.37Å; E830-E834 PolarHBondContact O-N 3.36Å
831	D	40.9	Very low	42.4	Very low	79 Å²	79	92.3 Å²	92.3	42%	0.422	47%	0.471	S	S	.	.	H	α-helix	trans	-65.5	-33.8	171.9	-75.5	-15.8	0	0	0	111.5	F827 N835	F827-D831 WeakPolarHBondContact O-CB 3.48Å; F827-D831 PolarHBondContact O-N 3.48Å; D831-N835 WeakPolarHBondContact O-CB 3.28Å; D831-N835 PolarHBondContact O-N 3.1Å; D831-N835 VanDerWaalsContact O-N 3.13Å; D831-N835 PolarHBondContact O-ND2 3.49Å
832	F	36.2	Very low	42.2	Very low	123 Å²	123	97.1 Å²	97.1	54%	0.539	49%	0.49	S	S	.	.	H	α-helix	trans	-78.8	-36	175	-150.6	-88.9	0	0	0	112.3	D828 K829 E830 N835 E836	D828-F832 WeakPolarHBondContact O-CB 3.38Å; D828-F832 PolarHBondContact O-N 3.22Å; K829-F832 PolarHBondContact O-N 3.49Å; E830-F832 VanDerWaalsContact C-N 3.3Å; E830-F832 PolarHBondContact O-N 2.98Å; F832-N835 PolarHBondContact O-N 2.99Å; F832-E836 HydrophobicContact CD1-CG 3.92Å; F832-E836 HydrophobicContact CE1-CG 4Å; F832-E836 VanDerWaalsContact O-CB 3.23Å; F832-E836 WeakPolarHBondContact O-CB 3.36Å; F832-E836 WeakPolarHBondContact O-CG 3.04Å; F832-E836 PolarHBondContact O-N 3.36Å
833	E	40.9	Very low	41.9	Very low	87 Å²	87	96.5 Å²	96.5	41%	0.407	49%	0.485	S	S	.	.	H	α-helix	trans	-73.3	-32.5	175.4	-76.4	172.6	-167	0	0	111.1	K829 E830 E837	K829-E833 IonicContact NZ-OE1 2.92Å; K829-E833 PolarHBondContact NZ-OE1 3Å; K829-E833 WeakPolarHBondContact O-CA 3.26Å; K829-E833 WeakPolarHBondContact O-CB 3.48Å; K829-E833 WeakPolarHBondContact O-CG 3.46Å; K829-E833 PolarHBondContact O-N 3.35Å; E830-E833 PolarHBondContact O-N 3.19Å; E833-E837 WeakPolarHBondContact O-CB 3.18Å; E833-E837 WeakPolarHBondContact O-CG 3.37Å; E833-E837 PolarHBondContact O-N 3.21Å
834	E	40.7	Very low	41.7	Very low	131 Å²	131	98 Å²	98	61%	0.612	50%	0.498	S	S	*	.	H	α-helix	trans	-69.6	-40	169.8	-81.9	-167.4	164.5	0	0	111.5	E830 E837 L838	E830-E834 WeakPolarHBondContact O-CB 3.18Å; E830-E834 WeakPolarHBondContact O-CG 3.37Å; E830-E834 PolarHBondContact O-N 3.36Å; E834-E837 PolarHBondContact O-N 3.22Å; E834-L838 WeakPolarHBondContact O-CB 3.49Å; E834-L838 WeakPolarHBondContact O-CD1 3.17Å; E834-L838 VanDerWaalsContact O-CG 3.26Å; E834-L838 WeakPolarHBondContact O-CG 3.12Å; E834-L838 PolarHBondContact O-N 3.01Å
835	N	41	Very low	41.4	Very low	93 Å²	93	101.7 Å²	101.7	50%	0.497	52%	0.515	S	S	.	.	H	α-helix	trans	-71.6	-35.5	174	-83	-49.7	0	0	0	112.7	D831 F832 L838 Q839	D831-N835 WeakPolarHBondContact O-CB 3.28Å; D831-N835 PolarHBondContact O-N 3.1Å; D831-N835 VanDerWaalsContact O-N 3.13Å; D831-N835 PolarHBondContact O-ND2 3.49Å; F832-N835 PolarHBondContact O-N 2.99Å; N835-L838 PolarHBondContact O-N 3.14Å; N835-Q839 WeakPolarHBondContact O-CB 3.46Å; N835-Q839 VanDerWaalsContact O-CG 3.29Å; N835-Q839 WeakPolarHBondContact O-CG 3.42Å; N835-Q839 PolarHBondContact O-N 3.05Å
836	E	42.6	Very low	41	Very low	80 Å²	80	110 Å²	110	37%	0.374	54%	0.539	S	S	.	.	H	α-helix	trans	-70	-36.9	170.7	-86.4	-170.5	166.1	0	0	110.8	F832 L838 Q839 Q840	F832-E836 HydrophobicContact CD1-CG 3.92Å; F832-E836 HydrophobicContact CE1-CG 4Å; F832-E836 VanDerWaalsContact O-CB 3.23Å; F832-E836 WeakPolarHBondContact O-CB 3.36Å; F832-E836 WeakPolarHBondContact O-CG 3.04Å; F832-E836 PolarHBondContact O-N 3.36Å; E836-L838 VanDerWaalsContact C-N 3.35Å; E836-Q839 CarbonylContact O-C 3.54Å; E836-Q839 PolarHBondContact O-N 2.96Å; E836-Q840 WeakPolarHBondContact O-CA 3.3Å; E836-Q840 WeakPolarHBondContact O-CB 3.28Å; E836-Q840 WeakPolarHBondContact O-CG 3.47Å; E836-Q840 PolarHBondContact O-N 3.03Å
837	E	44.4	Very low	40.4	Very low	104 Å²	104	110.4 Å²	110.4	49%	0.486	55%	0.547	S	S	.	.	H	α-helix	trans	-68.2	-35.7	172.6	-86.1	-162.5	-170.5	0	0	111.3	E833 E834 K841	E833-E837 WeakPolarHBondContact O-CB 3.18Å; E833-E837 WeakPolarHBondContact O-CG 3.37Å; E833-E837 PolarHBondContact O-N 3.21Å; E834-E837 PolarHBondContact O-N 3.22Å; E837-K841 WeakPolarHBondContact O-CB 3.43Å; E837-K841 VanDerWaalsContact O-CD 3.29Å; E837-K841 WeakPolarHBondContact O-CD 3.24Å; E837-K841 WeakPolarHBondContact O-CG 3.25Å; E837-K841 PolarHBondContact O-N 3.2Å; E837-K841 IonicContact OE2-NZ 2.82Å; E837-K841 PolarHBondContact OE2-NZ 3.11Å
838	L	48.4	Very low	40.1	Very low	92 Å²	92	108.4 Å²	108.4	48%	0.482	55%	0.549	S	S	.	.	H	α-helix	trans	-69.8	-42.9	173.7	-78.1	161.9	0	0	0	111.2	E834 N835 E836 K841 Q842	E834-L838 WeakPolarHBondContact O-CB 3.49Å; E834-L838 WeakPolarHBondContact O-CD1 3.17Å; E834-L838 VanDerWaalsContact O-CG 3.26Å; E834-L838 WeakPolarHBondContact O-CG 3.12Å; E834-L838 PolarHBondContact O-N 3.01Å; N835-L838 PolarHBondContact O-N 3.14Å; E836-L838 VanDerWaalsContact C-N 3.35Å; L838-K841 PolarHBondContact O-N 3.31Å; L838-Q842 VanDerWaalsContact O-CB 3.23Å; L838-Q842 WeakPolarHBondContact O-CB 3.32Å; L838-Q842 WeakPolarHBondContact O-CG 3.4Å; L838-Q842 PolarHBondContact O-N 3.26Å
839	Q	45.3	Very low	39.5	Very low	124 Å²	124	108.5 Å²	108.5	58%	0.579	55%	0.55	S	S	*	.	H	α-helix	trans	-71	-34.5	175	-77.9	179.3	5.5	0	0	112.2	N835 E836 Q842 S843	N835-Q839 WeakPolarHBondContact O-CB 3.46Å; N835-Q839 VanDerWaalsContact O-CG 3.29Å; N835-Q839 WeakPolarHBondContact O-CG 3.42Å; N835-Q839 PolarHBondContact O-N 3.05Å; E836-Q839 CarbonylContact O-C 3.54Å; E836-Q839 PolarHBondContact O-N 2.96Å; Q839-Q842 CarbonylContact O-C 3.45Å; Q839-Q842 PolarHBondContact O-N 3.4Å; Q839-S843 WeakPolarHBondContact O-CA 3.15Å; Q839-S843 WeakPolarHBondContact O-CB 3.1Å; Q839-S843 PolarHBondContact O-N 2.79Å; Q839-S843 PolarHBondContact O-OG 2.97Å
840	Q	43.5	Very low	39	Very low	112 Å²	112	109.1 Å²	109.1	52%	0.523	56%	0.563	S	S	.	*	H	α-helix	trans	-76.2	-29.7	173.7	-74.7	174.6	16.2	0	0	111.2	E836 S843 A844	E836-Q840 WeakPolarHBondContact O-CA 3.3Å; E836-Q840 WeakPolarHBondContact O-CB 3.28Å; E836-Q840 WeakPolarHBondContact O-CG 3.47Å; E836-Q840 PolarHBondContact O-N 3.03Å; Q840-S843 VanDerWaalsContact CA-OG 3.3Å; Q840-S843 WeakPolarHBondContact CA-OG 3.29Å; Q840-A844 WeakPolarHBondContact O-CA 3.31Å; Q840-A844 WeakPolarHBondContact O-CB 3.15Å; Q840-A844 PolarHBondContact O-N 3.4Å
841	K	45.4	Very low	38.6	Very low	121 Å²	121	112.7 Å²	112.7	53%	0.526	58%	0.58	S	S	.	*	H	α-helix	trans	-73	-37	168.9	-75	164	-167.9	157.1	0	110.9	E837 L838 Q845	E837-K841 WeakPolarHBondContact O-CB 3.43Å; E837-K841 VanDerWaalsContact O-CD 3.29Å; E837-K841 WeakPolarHBondContact O-CD 3.24Å; E837-K841 WeakPolarHBondContact O-CG 3.25Å; E837-K841 PolarHBondContact O-N 3.2Å; E837-K841 IonicContact OE2-NZ 2.82Å; E837-K841 PolarHBondContact OE2-NZ 3.11Å; L838-K841 PolarHBondContact O-N 3.31Å; K841-Q845 WeakPolarHBondContact O-CB 3.46Å; K841-Q845 PolarHBondContact O-N 3.26Å
842	Q	41	Very low	38.1	Very low	122 Å²	122	117.7 Å²	117.7	57%	0.57	60%	0.601	S	S	*	*	H	α-helix	trans	-72.1	-38.3	173.9	-73.7	172.2	7.8	0	0	112.4	L838 Q839 Q845 Y846	L838-Q842 VanDerWaalsContact O-CB 3.23Å; L838-Q842 WeakPolarHBondContact O-CB 3.32Å; L838-Q842 WeakPolarHBondContact O-CG 3.4Å; L838-Q842 PolarHBondContact O-N 3.26Å; Q839-Q842 CarbonylContact O-C 3.45Å; Q839-Q842 PolarHBondContact O-N 3.4Å; Q842-Q845 PolarHBondContact O-N 3.49Å; Q842-Y846 WeakPolarHBondContact O-CB 3.49Å; Q842-Y846 PolarHBondContact O-N 3.3Å
843	S	38.7	Very low	38	Very low	59 Å²	59	117.3 Å²	117.3	41%	0.413	61%	0.613	S	S	.	*	H	α-helix	trans	-86.1	-23.7	177.5	59.3	0	0	0	0	113.1	Q839 Q840 Q845 Y846 G847	Q839-S843 WeakPolarHBondContact O-CA 3.15Å; Q839-S843 WeakPolarHBondContact O-CB 3.1Å; Q839-S843 PolarHBondContact O-N 2.79Å; Q839-S843 PolarHBondContact O-OG 2.97Å; Q840-S843 VanDerWaalsContact CA-OG 3.3Å; Q840-S843 WeakPolarHBondContact CA-OG 3.29Å; S843-Q845 PolarHBondContact O-N 2.8Å; S843-Y846 CarbonylContact O-C 3.58Å; S843-Y846 PolarHBondContact O-N 3.02Å; S843-Y846 VanDerWaalsContact O-N 3.14Å; S843-G847 WeakPolarHBondContact O-CA 3.32Å; S843-G847 PolarHBondContact O-N 3.45Å
844	A	40.9	Very low	37.7	Very low	87 Å²	87	119 Å²	119	72%	0.719	63%	0.626	S	S	*	*	H	α-helix	trans	-73.3	-19.4	164.9	0	0	0	0	0	112.1	Q840	Q840-A844 WeakPolarHBondContact O-CA 3.31Å; Q840-A844 WeakPolarHBondContact O-CB 3.15Å; Q840-A844 PolarHBondContact O-N 3.4Å
845	Q	37.6	Very low	37.6	Very low	164 Å²	164	118.4 Å²	118.4	77%	0.766	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-16.8	165.8	-86.4	-176.2	-38	0	0	113.6	K841 Q842 S843	K841-Q845 WeakPolarHBondContact O-CB 3.46Å; K841-Q845 PolarHBondContact O-N 3.26Å; Q842-Q845 PolarHBondContact O-N 3.49Å; S843-Q845 PolarHBondContact O-N 2.8Å
846	Y	35.6	Very low	37.5	Very low	217 Å²	217	121.1 Å²	121.1	85%	0.851	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.7	1.8	-174.2	-90.6	-88.1	0	0	0	116.2	Q842 S843	Q842-Y846 WeakPolarHBondContact O-CB 3.49Å; Q842-Y846 PolarHBondContact O-N 3.3Å; S843-Y846 CarbonylContact O-C 3.58Å; S843-Y846 PolarHBondContact O-N 3.02Å; S843-Y846 VanDerWaalsContact O-N 3.14Å
847	G	29.8	Very low	37.4	Very low	49 Å²	49	121.4 Å²	121.4	51%	0.505	65%	0.649	S	S	.	*			trans	-143.3	53.7	-159.8	0	0	0	0	0	113.8	S843	S843-G847 WeakPolarHBondContact O-CA 3.32Å; S843-G847 PolarHBondContact O-N 3.45Å
848	S	28.6	Very low	37.1	Very low	88 Å²	88	120 Å²	120	62%	0.615	66%	0.655	S	S	*	*	S	Bend	trans	-92.7	86.1	144.4	63.9	0	0	0	0	106.6
849	N	29.1	Very low	36.9	Very low	114 Å²	114	122.3 Å²	122.3	61%	0.61	66%	0.662	S	S	*	*			trans	160	148	157.9	-80.1	-13.6	0	0	0	109.8
850	V	32.4	Very low	36.8	Very low	134 Å²	134	120 Å²	120	81%	0.812	66%	0.656	S	S	*	*			trans	96.4	71.1	169.2	-158.9	0	0	0	0	115.8
851	E	26.7	Very low	36.7	Very low	186 Å²	186	119.4 Å²	119.4	87%	0.869	66%	0.656	S	S	*	*			trans	-91.9	126.3	135.5	-74.4	-176.4	161.5	0	0	107.3
852	Q	31.1	Very low	36.8	Very low	184 Å²	184	118.8 Å²	118.8	86%	0.86	66%	0.658	S	S	*	*			trans	134.9	97.3	166.7	-77.9	171.8	-0.3	0	0	109.7
853	S	34.1	Very low	37.1	Very low	115 Å²	115	117.8 Å²	117.8	80%	0.804	65%	0.654	S	S	*	*			trans	-108.3	105.1	176	58.1	0	0	0	0	110.3
854	D	34	Very low	37.4	Very low	124 Å²	124	118.4 Å²	118.4	66%	0.663	65%	0.651	S	S	*	*			trans	-72.5	156.5	168.3	-88.9	-43.7	0	0	0	112.6	E856	D854-E856 PolarHBondContact O-N 3.33Å
855	P	38.8	Very low	37.7	Very low	117 Å²	117	121.3 Å²	121.3	76%	0.76	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	4.9	-175.2	27.2	-34	0	0	0	116
856	E	39.6	Very low	38.3	Very low	151 Å²	151	119.3 Å²	119.3	71%	0.706	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-20.7	177.4	-68.3	-168.3	152.1	0	0	113.9	D854 A858 K859 V860	D854-E856 PolarHBondContact O-N 3.33Å; E856-A858 VanDerWaalsContact C-N 3.25Å; E856-A858 PolarHBondContact O-N 3.37Å; E856-K859 WeakPolarHBondContact O-CB 3.43Å; E856-K859 PolarHBondContact O-N 2.87Å; E856-V860 PolarHBondContact O-N 3.22Å
857	V	39.5	Very low	38.7	Very low	85 Å²	85	114.4 Å²	114.4	52%	0.515	62%	0.624	S	S	.	*	H	α-helix	trans	-64.5	-30.1	-178	-176.1	0	0	0	0	112.2	K859 V860 D861	V857-K859 VanDerWaalsContact C-N 3.26Å; V857-K859 PolarHBondContact O-N 3.41Å; V857-V860 PolarHBondContact O-N 2.83Å; V857-D861 PolarHBondContact O-N 3.45Å
858	A	40	Very low	39.5	Very low	74 Å²	74	116.5 Å²	116.5	61%	0.612	62%	0.623	S	S	*	*	H	α-helix	trans	-70.5	-21.5	174.9	0	0	0	0	0	113.3	E856	E856-A858 VanDerWaalsContact C-N 3.25Å; E856-A858 PolarHBondContact O-N 3.37Å
859	K	42.8	Very low	40.2	Very low	142 Å²	142	116.1 Å²	116.1	62%	0.617	62%	0.619	S	S	*	*	H	α-helix	trans	-82.7	-37.8	176.7	-146.2	-179.9	-178.9	-167.5	0	110.7	E856 V857 L862 E863	E856-K859 WeakPolarHBondContact O-CB 3.43Å; E856-K859 PolarHBondContact O-N 2.87Å; V857-K859 VanDerWaalsContact C-N 3.26Å; V857-K859 PolarHBondContact O-N 3.41Å; K859-L862 PolarHBondContact O-N 3.29Å; K859-E863 WeakPolarHBondContact O-CG 3.41Å; K859-E863 PolarHBondContact O-N 3.47Å
860	V	43.1	Very low	40.8	Very low	76 Å²	76	117.1 Å²	117.1	46%	0.461	62%	0.62	S	S	.	*	H	α-helix	trans	-68.4	-35.5	175	-178.3	0	0	0	0	112	E856 V857 L862 E863 M864	E856-V860 PolarHBondContact O-N 3.22Å; V857-V860 PolarHBondContact O-N 2.83Å; V860-L862 VanDerWaalsContact C-N 3.3Å; V860-L862 PolarHBondContact O-N 3.44Å; V860-E863 PolarHBondContact O-N 2.81Å; V860-M864 HydrophobicContact CG1-CG 4.46Å; V860-M864 VanDerWaalsContact O-CB 3.25Å; V860-M864 WeakPolarHBondContact O-CB 3.34Å; V860-M864 WeakPolarHBondContact O-CG 3.46Å; V860-M864 PolarHBondContact O-N 3.44Å
861	D	41.4	Very low	41.4	Very low	99 Å²	99	114.1 Å²	114.1	53%	0.529	60%	0.602	S	S	.	*	H	α-helix	trans	-69.2	-28	173.5	-85.2	-17.2	0	0	0	112.8	V857 K865	V857-D861 PolarHBondContact O-N 3.45Å; D861-K865 WeakPolarHBondContact O-CB 3.1Å; D861-K865 WeakPolarHBondContact O-CG 3.49Å; D861-K865 PolarHBondContact O-N 3.09Å
862	L	48.9	Very low	42.1	Very low	107 Å²	107	111.6 Å²	111.6	56%	0.56	59%	0.588	S	S	*	*	H	α-helix	trans	-75.8	-45.7	174	-140.3	88.2	0	0	0	110.7	K859 V860 M864 K865 E866	K859-L862 PolarHBondContact O-N 3.29Å; V860-L862 VanDerWaalsContact C-N 3.3Å; V860-L862 PolarHBondContact O-N 3.44Å; L862-M864 VanDerWaalsContact C-N 3.34Å; L862-M864 PolarHBondContact O-N 3.24Å; L862-K865 PolarHBondContact O-N 3.46Å; L862-K865 VanDerWaalsContact O-N 3.15Å; L862-E866 WeakPolarHBondContact O-CG 3.26Å; L862-E866 PolarHBondContact O-N 3.1Å
863	E	45.8	Very low	42.5	Very low	102 Å²	102	106.4 Å²	106.4	48%	0.477	57%	0.566	S	S	.	*	H	α-helix	trans	-66.2	-33.9	175.6	-74.3	173.9	-173.8	0	0	112	K859 V860 E866 M867	K859-E863 WeakPolarHBondContact O-CG 3.41Å; K859-E863 PolarHBondContact O-N 3.47Å; V860-E863 PolarHBondContact O-N 2.81Å; E863-E866 PolarHBondContact O-N 3.49Å; E863-M867 WeakPolarHBondContact O-CB 3.34Å; E863-M867 WeakPolarHBondContact O-CG 3.35Å; E863-M867 PolarHBondContact O-N 3.19Å
864	M	45	Very low	42.7	Very low	71 Å²	71	105.5 Å²	105.5	35%	0.35	56%	0.556	S	S	.	*	H	α-helix	trans	-70.2	-32.2	172.1	-85.6	-165.1	65.1	0	0	112.4	V860 L862 L868	V860-M864 HydrophobicContact CG1-CG 4.46Å; V860-M864 VanDerWaalsContact O-CB 3.25Å; V860-M864 WeakPolarHBondContact O-CB 3.34Å; V860-M864 WeakPolarHBondContact O-CG 3.46Å; V860-M864 PolarHBondContact O-N 3.44Å; L862-M864 VanDerWaalsContact C-N 3.34Å; L862-M864 PolarHBondContact O-N 3.24Å; M864-L868 WeakPolarHBondContact O-CB 3.35Å; M864-L868 WeakPolarHBondContact O-CD1 3.4Å; M864-L868 WeakPolarHBondContact O-CG 3.3Å; M864-L868 PolarHBondContact O-N 3.31Å
865	K	49	Very low	42.8	Very low	149 Å²	149	106.2 Å²	106.2	65%	0.648	56%	0.559	S	S	*	*	H	α-helix	trans	-71.7	-37.9	172.4	-83.9	178.5	176.9	176.8	0	111.8	D861 L862 L868 C869	D861-K865 WeakPolarHBondContact O-CB 3.1Å; D861-K865 WeakPolarHBondContact O-CG 3.49Å; D861-K865 PolarHBondContact O-N 3.09Å; L862-K865 PolarHBondContact O-N 3.46Å; L862-K865 VanDerWaalsContact O-N 3.15Å; K865-L868 PolarHBondContact O-N 3.23Å; K865-C869 WeakPolarHBondContact O-CB 3.29Å; K865-C869 PolarHBondContact O-N 2.93Å; K865-C869 PolarHBondContact O-SG 2.74Å
866	E	49.1	Very low	42.4	Very low	121 Å²	121	105.1 Å²	105.1	57%	0.565	54%	0.541	S	S	*	.	H	α-helix	trans	-67.4	-43.9	174.3	-73.7	175.2	173.1	0	0	111.2	L862 E863 C869 E870	L862-E866 WeakPolarHBondContact O-CG 3.26Å; L862-E866 PolarHBondContact O-N 3.1Å; E863-E866 PolarHBondContact O-N 3.49Å; E866-C869 WeakPolarHBondContact O-CB 3.28Å; E866-C869 PolarHBondContact O-N 3.09Å; E866-E870 PolarHBondContact O-N 3.23Å
867	M	44.2	Very low	42.5	Very low	115 Å²	115	102.9 Å²	102.9	57%	0.567	53%	0.532	S	S	*	.	H	α-helix	trans	-66.5	-36.3	172.9	-79.2	-155.2	-61.7	0	0	113	E863 C869 E870 V871	E863-M867 WeakPolarHBondContact O-CB 3.34Å; E863-M867 WeakPolarHBondContact O-CG 3.35Å; E863-M867 PolarHBondContact O-N 3.19Å; M867-C869 VanDerWaalsContact C-N 3.31Å; M867-E870 PolarHBondContact O-N 3.49Å; M867-V871 WeakPolarHBondContact O-CB 3.43Å; M867-V871 WeakPolarHBondContact O-CG2 3.47Å; M867-V871 PolarHBondContact O-N 3.49Å
868	L	45.7	Very low	42.7	Very low	93 Å²	93	103.8 Å²	103.8	49%	0.487	53%	0.533	S	S	.	.	H	α-helix	trans	-68.2	-32.9	174.4	-81.2	166.2	0	0	0	111.7	M864 K865 F872	M864-L868 WeakPolarHBondContact O-CB 3.35Å; M864-L868 WeakPolarHBondContact O-CD1 3.4Å; M864-L868 WeakPolarHBondContact O-CG 3.3Å; M864-L868 PolarHBondContact O-N 3.31Å; K865-L868 PolarHBondContact O-N 3.23Å; L868-F872 WeakPolarHBondContact O-CB 3.48Å; L868-F872 PolarHBondContact O-N 3.36Å
869	C	44.6	Very low	42.8	Very low	79 Å²	79	105.4 Å²	105.4	53%	0.534	53%	0.529	S	S	.	.	H	α-helix	trans	-66.4	-43.3	170	-81.4	0	0	0	0	111.8	K865 E866 M867 F872 L873	K865-C869 WeakPolarHBondContact O-CB 3.29Å; K865-C869 PolarHBondContact O-N 2.93Å; K865-C869 PolarHBondContact O-SG 2.74Å; E866-C869 WeakPolarHBondContact O-CB 3.28Å; E866-C869 PolarHBondContact O-N 3.09Å; M867-C869 VanDerWaalsContact C-N 3.31Å; C869-F872 PolarHBondContact O-N 3.16Å; C869-L873 VanDerWaalsContact O-CB 3.26Å; C869-L873 WeakPolarHBondContact O-CB 3.14Å; C869-L873 WeakPolarHBondContact O-CD1 3.41Å; C869-L873 WeakPolarHBondContact O-CG 3.27Å; C869-L873 PolarHBondContact O-N 3.27Å
870	E	41.7	Very low	42.8	Very low	136 Å²	136	103.3 Å²	103.3	64%	0.636	52%	0.524	S	S	*	.	H	α-helix	trans	-67.5	-35.2	176.1	-76	-166.4	158.1	0	0	113	E866 M867 L873 T874	E866-E870 PolarHBondContact O-N 3.23Å; M867-E870 PolarHBondContact O-N 3.49Å; E870-L873 CarbonylContact O-C 3.48Å; E870-L873 PolarHBondContact O-N 2.85Å; E870-T874 WeakPolarHBondContact O-CB 3.43Å; E870-T874 PolarHBondContact O-N 3.12Å; E870-T874 PolarHBondContact O-OG1 3.06Å
871	V	44.6	Very low	42.8	Very low	70 Å²	70	105 Å²	105	42%	0.424	53%	0.528	S	S	.	.	H	α-helix	trans	-72.4	-38.4	175.7	173.1	0	0	0	0	111.3	M867 L873 T874 L875	M867-V871 WeakPolarHBondContact O-CB 3.43Å; M867-V871 WeakPolarHBondContact O-CG2 3.47Å; M867-V871 PolarHBondContact O-N 3.49Å; V871-L873 VanDerWaalsContact C-N 3.3Å; V871-T874 VanDerWaalsContact CA-OG1 3.28Å; V871-T874 WeakPolarHBondContact CA-OG1 3.38Å; V871-T874 PolarHBondContact O-N 2.92Å; V871-T874 PolarHBondContact O-OG1 3.29Å; V871-L875 HydrophobicContact CG1-CD1 3.79Å; V871-L875 WeakPolarHBondContact O-CB 3.43Å; V871-L875 PolarHBondContact O-N 3.46Å
872	F	41.1	Very low	42.9	Very low	133 Å²	133	105.4 Å²	105.4	58%	0.583	53%	0.528	S	S	*	.	H	α-helix	trans	-65.5	-34.6	169.8	-106.3	-90.4	0	0	0	112	L868 C869 T874 Y876	L868-F872 WeakPolarHBondContact O-CB 3.48Å; L868-F872 PolarHBondContact O-N 3.36Å; C869-F872 PolarHBondContact O-N 3.16Å; F872-T874 VanDerWaalsContact C-N 3.3Å; F872-Y876 HydrophobicContact CD1-CD2 4.36Å; F872-Y876 WeakPolarHBondContact O-CB 3.49Å
873	L	40.5	Very low	42.5	Very low	76 Å²	76	105.3 Å²	105.3	40%	0.398	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-6.4	175.1	-82.7	160.8	0	0	0	113.8	R613 L617 C869 E870 V871	R613-L873 PolarHBondContact NE-O 3.37Å; R613-L873 PolarHBondContact NH1-O 3.19Å; R613-L873 PolarHBondContact NH2-O 3.1Å; R613-L873 VanDerWaalsContact NH2-O 3.07Å; L617-L873 HydrophobicContact CD1-CD2 3.71Å; C869-L873 VanDerWaalsContact O-CB 3.26Å; C869-L873 WeakPolarHBondContact O-CB 3.14Å; C869-L873 WeakPolarHBondContact O-CD1 3.41Å; C869-L873 WeakPolarHBondContact O-CG 3.27Å; C869-L873 PolarHBondContact O-N 3.27Å; E870-L873 CarbonylContact O-C 3.48Å; E870-L873 PolarHBondContact O-N 2.85Å; V871-L873 VanDerWaalsContact C-N 3.3Å
874	T	38.4	Very low	42.3	Very low	96 Å²	96	105.5 Å²	105.5	59%	0.589	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-26.2	175.7	37.6	0	0	0	0	112.9	R613 E870 V871 F872 Y876	R613-T874 VanDerWaalsContact NH2-CA 3.32Å; R613-T874 PolarHBondContact NH2-O 3.24Å; E870-T874 WeakPolarHBondContact O-CB 3.43Å; E870-T874 PolarHBondContact O-N 3.12Å; E870-T874 PolarHBondContact O-OG1 3.06Å; V871-T874 VanDerWaalsContact CA-OG1 3.28Å; V871-T874 WeakPolarHBondContact CA-OG1 3.38Å; V871-T874 PolarHBondContact O-N 2.92Å; V871-T874 PolarHBondContact O-OG1 3.29Å; F872-T874 VanDerWaalsContact C-N 3.3Å; T874-Y876 VanDerWaalsContact C-N 3.33Å
875	L	35.2	Very low	42	Very low	139 Å²	139	108.4 Å²	108.4	73%	0.728	54%	0.544	S	S	*	.			trans	-82.3	-5.8	173.4	-80.7	164.7	0	0	0	114.8	V871	V871-L875 HydrophobicContact CG1-CD1 3.79Å; V871-L875 WeakPolarHBondContact O-CB 3.43Å; V871-L875 PolarHBondContact O-N 3.46Å
876	Y	30.2	Very low	41.4	Very low	94 Å²	94	104.7 Å²	104.7	37%	0.369	53%	0.534	S	S	.	.			trans	-132.4	0	-167.4	-154.7	-20.8	0	0	0	110.1	R613 L617 L621 F872 T874	R613-Y876 PolarHBondContact NE-OXT 3.28Å; R613-Y876 PolarHBondContact NH2-OXT 3.46Å; L617-Y876 HydrophobicContact CD2-CD1 2.84Å; L617-Y876 HydrophobicContact CD2-CD2 3.61Å; L617-Y876 HydrophobicContact CD2-CE1 3.14Å; L617-Y876 HydrophobicContact CD2-CE2 3.88Å; L617-Y876 HydrophobicContact CD2-CG 3.06Å; L617-Y876 HydrophobicContact CG-CD1 4.32Å; L617-Y876 HydrophobicContact CG-CG 4.37Å; L621-Y876 HydrophobicContact CD1-CE2 4.1Å; L621-Y876 WeakPolarHBondContact CD1-OH 3.45Å; L621-Y876 WeakPolarHBondContact CG-OH 3.3Å; F872-Y876 HydrophobicContact CD1-CD2 4.36Å; F872-Y876 WeakPolarHBondContact O-CB 3.49Å; T874-Y876 VanDerWaalsContact C-N 3.33Å

Retrieved 876 of 876 residues in 546.5 ms (Link to these results)

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