A0A077Z025_TRITR Loading...

Protein unc h protein unc b protein unc a

AlphaFold DB , UniProt , Accession A0A077Z025, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,258 aa.

						>A0A077Z025_TRITR|A0A077Z025
DGNQWSRPKKLSKKSGSLRTVLFSLVTQTSSIGKCRATKTEEDEENERKTRLQIYVFVARCIAYHFNAKQPTEMVRRRGKVVKQELNRIRERFTSFLRGDIQIVVDEAFTNAIKSYYEVFLCSDRVATAVAAGGFSSVDFRDVFRCMIDRRLRSLPEINGLSKETVLNSWMAKFDFIYRAEDELTICKGPKARGIQAGNTDQIMTNEQLYDMFQLILGVKKFEHQLIYNALQLDNPDEQAAAIRRELDSRMQMIQEMAKDRKLMPKFVVKDMETLYLDEVRISINSLISNLESVPVNPKQSSTKHTFKRRSRSRYFLTACDTFLFNRLRRTSTHSIRTDGDENEVVLTKSDVVLHFNLEVVVLEAQNLKSVPPNKVLYCTMEVEGSGKLQTGSSEASNPTWDTQGDFTTQHPLPMIKVKLFAENSGVLAFEDKELGKVVVRPTPNSSRSPEWYKMTVPKGLADQNLRIRMAIRTEKPQNLKYCGYCYALGKVVWKHWKKRFFCLIQVSQYTFAMCSYKERHSEPTEFMQVDGFTVDYAEPDPELLSGGGQYFFSALREGEEIKFATNDDSERHMWVQALYRATGQAHKPIPPKVDSTLTRKHPGDDQAKKLGIDEFIQADPVKSPHDQYLTTLQVLTLDYRLNESICSLGWFSPAQMFVLDEFCARYMVRGCHRNVSLLNDLLDKAESDYMIDPTLLHYSFAFCASHVHGTRPDGVGTVTLKERDKFNQVKVRLRALLEKQITNFRHCFPFGRPEGALKATLSLLERVLMKDMVTAATAQEVSAVVKRCLENAALVNYQKMCKEISLEERLSPEVSPAQRIEDMIRMADMCIDLLKEIDDYHAEAFAWFSDLLIEHAETYWSLYLVDMQAALSVQPPDTWDAFPLFELLNDYLCKDKNLKGGTFHGKLLAIFAPMVVRYVDLMEQSIEMSIEKDFAKEKWEIKNEIRVCCFYSRGCGTSEEIFWKLESLQSFIFRQNWPEEEFSRHLEDRMKRMASDMILKCAENVRQCRLSILTLCRTLSVFEQWLSRAKRSTDYIIPTEVCVMVNVIFDSKNRVSLLVRSIDCSTQGKLPNVRVITFHMLLFLQLLGVLESTLVKLARYDEGNPIGTILSIAVSFMQSISIFQRTQAKAPSPTHLGHSYVDFMRISIEQLRQLVSDELFVTHFLLNLILFGQLQLINNWLMERHDRSLSAYQMTCLSYIMKKIYSDFELQGIDEEKLNLKTYTSIIKRMHLEETTASLSESSSRSRFSLFNGPAKN
					

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(Predicted Aligned Error values between residue pairs)

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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	D	31.2	Very low	33.2	Very low	226 Å²	226	177.5 Å²	177.5	100%	1.209	89%	0.894	S	S	*	*				0	131.8	0	-61.7	-38.7	0	0	0	111.6
2	G	36.4	Very low	33.2	Very low	72 Å²	72	171.9 Å²	171.9	74%	0.742	88%	0.884	S	S	*	*			trans	121.2	29.4	167.3	0	0	0	0	0	118.7	Q4	G2-Q4 PolarHBondContact O-N 3.3Å
3	N	31.8	Very low	33.1	Very low	157 Å²	157	174.8 Å²	174.8	84%	0.84	89%	0.886	S	S	*	*			trans	-84.8	83.2	168.1	-87.2	-13.7	0	0	0	110.9	W5	N3-W5 PolarHBondContact O-N 3.31Å
4	Q	34.2	Very low	33.4	Very low	190 Å²	190	176.9 Å²	176.9	89%	0.888	89%	0.886	S	S	*	*			trans	-90.2	92.3	167.5	-86.9	-174.3	-6.1	0	0	110.4	G2 S6	G2-Q4 PolarHBondContact O-N 3.3Å; Q4-S6 PolarHBondContact O-N 3.09Å
5	W	32.1	Very low	33.5	Very low	233 Å²	233	173.8 Å²	173.8	88%	0.883	89%	0.888	S	S	*	*			trans	-80.8	111	166.3	-82.9	50.2	0	0	0	109.6	N3 R7	N3-W5 PolarHBondContact O-N 3.31Å; W5-R7 PolarHBondContact O-N 3.37Å
6	S	34.2	Very low	33.8	Very low	118 Å²	118	167.4 Å²	167.4	83%	0.825	88%	0.878	S	S	*	*	P	Polyproline II helix	trans	-69.5	118.1	175.8	35	0	0	0	0	111	Q4	Q4-S6 PolarHBondContact O-N 3.09Å
7	R	29.9	Very low	34.6	Very low	240 Å²	240	162.7 Å²	162.7	91%	0.906	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-62.5	132.1	178.4	-79.9	178.7	169.5	178	-2.7	112.1	W5	W5-R7 PolarHBondContact O-N 3.37Å
8	P	34.7	Very low	35.2	Very low	127 Å²	127	162 Å²	162	83%	0.825	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-78.1	137.3	175	29.7	-30.2	0	0	0	111.7
9	K	34.3	Very low	35.6	Very low	204 Å²	204	165.3 Å²	165.3	89%	0.887	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-62.1	134.5	-178.3	-78.8	177.7	174.8	175.3	0	112	L11	K9-L11 PolarHBondContact O-N 2.85Å
10	K	33.9	Very low	36.3	Very low	211 Å²	211	162.3 Å²	162.3	92%	0.917	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-48.3	118.9	174.9	-76.9	174.9	172.5	176	0	112.4
11	L	32.8	Very low	37	Very low	174 Å²	174	158.3 Å²	158.3	91%	0.911	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-73.2	120.3	164.1	-89.8	140.7	0	0	0	109.9	K9	K9-L11 PolarHBondContact O-N 2.85Å
12	S	33.1	Very low	37.7	Very low	111 Å²	111	153.9 Å²	153.9	78%	0.776	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-72.6	129.7	175.8	60.8	0	0	0	0	111.3	K14	S12-K14 PolarHBondContact O-N 3.15Å
13	K	32.2	Very low	38.1	Very low	209 Å²	209	158.5 Å²	158.5	91%	0.909	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-48.5	120.5	171.8	-68.6	174.2	174	178.9	0	112
14	K	36.7	Very low	38.9	Very low	205 Å²	205	153.4 Å²	153.4	89%	0.891	78%	0.782	S	S	*	*			trans	-128.5	112.3	148.5	-85.9	-171.1	175.9	-179.3	0	108.4	S12 G16	S12-K14 PolarHBondContact O-N 3.15Å; K14-G16 PolarHBondContact O-N 3.25Å
15	S	35	Very low	39.5	Very low	130 Å²	130	149.3 Å²	149.3	91%	0.909	77%	0.765	S	S	*	*			trans	-67.8	110.9	173.9	49.9	0	0	0	0	110
16	G	38.9	Very low	40.3	Very low	71 Å²	71	143.1 Å²	143.1	73%	0.732	75%	0.753	S	S	*	*			trans	-142.2	102.9	172.1	0	0	0	0	0	109.9	K14	K14-G16 PolarHBondContact O-N 3.25Å
17	S	46.4	Very low	41.1	Very low	88 Å²	88	141.1 Å²	141.1	62%	0.615	74%	0.736	S	S	*	*			trans	12	105.9	167.6	-164.2	0	0	0	0	118.5	R19 T20	S17-R19 PolarHBondContact O-N 2.87Å; S17-T20 PolarHBondContact O-N 3.17Å
18	L	45.3	Very low	41.8	Very low	150 Å²	150	135.2 Å²	135.2	79%	0.785	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.9	-12	173.5	-94.4	148.8	0	0	0	115.5
19	R	43.4	Very low	42.4	Very low	224 Å²	224	134.1 Å²	134.1	85%	0.845	71%	0.71	S	S	*	*	H	α-helix	trans	-73.7	-25.1	-179.5	-93	-176	172.5	-177.7	-2.1	114.1	S17	S17-R19 PolarHBondContact O-N 2.87Å
20	T	50.2	Low	43.1	Very low	106 Å²	106	127.8 Å²	127.8	65%	0.65	69%	0.691	S	S	*	*	H	α-helix	trans	-80.8	-28.5	-178.8	-47.4	0	0	0	0	112.6	S17 L22 S24	S17-T20 PolarHBondContact O-N 3.17Å; T20-L22 PolarHBondContact O-N 2.85Å; T20-S24 PolarHBondContact O-N 2.75Å
21	V	51.3	Low	43.7	Very low	79 Å²	79	120.7 Å²	120.7	48%	0.479	67%	0.669	S	S	.	*	H	α-helix	trans	-72.1	-32	-175.9	-178.7	0	0	0	0	112.3	S24 L25	V21-S24 PolarHBondContact O-N 3.3Å; V21-S24 PolarHBondContact O-OG 2.82Å; V21-L25 HydrophobicContact CG1-CD1 4.09Å; V21-L25 PolarHBondContact O-N 3.38Å
22	L	45	Very low	44.5	Very low	133 Å²	133	117.6 Å²	117.6	70%	0.696	65%	0.652	S	S	*	*	H	α-helix	trans	-72.5	-30.8	-179.4	-121.4	133.2	0	0	0	112.5	T20	T20-L22 PolarHBondContact O-N 2.85Å
23	F	44.9	Very low	45.1	Very low	168 Å²	168	114.3 Å²	114.3	74%	0.737	64%	0.635	S	S	*	*	H	α-helix	trans	-75.3	-34.8	175.6	-129.7	-86.9	0	0	0	112.1	T27	F23-T27 PolarHBondContact O-N 2.85Å; F23-T27 PolarHBondContact O-OG1 3.09Å
24	S	49.3	Very low	45.9	Very low	51 Å²	51	111.8 Å²	111.8	36%	0.357	62%	0.624	S	S	.	*	H	α-helix	trans	-69.8	-33	178.6	60.5	0	0	0	0	113.5	T20 V21 T27 Q28	T20-S24 PolarHBondContact O-N 2.75Å; V21-S24 PolarHBondContact O-N 3.3Å; V21-S24 PolarHBondContact O-OG 2.82Å; S24-T27 WeakPolarHBondContact CA-OG1 3.46Å; S24-T27 PolarHBondContact O-N 3.17Å; S24-T27 PolarHBondContact O-OG1 3.21Å; S24-Q28 PolarHBondContact O-N 3.48Å; S24-Q28 VanDerWaalsContact O-N 3.11Å
25	L	46.6	Very low	46.4	Very low	103 Å²	103	106.4 Å²	106.4	54%	0.539	61%	0.612	S	S	.	*	H	α-helix	trans	-68.8	-34.4	179.8	-89.9	156.1	0	0	0	112.8	V21	V21-L25 HydrophobicContact CG1-CD1 4.09Å; V21-L25 PolarHBondContact O-N 3.38Å
26	V	49.3	Very low	47.3	Very low	103 Å²	103	109.5 Å²	109.5	62%	0.624	60%	0.603	S	S	*	*	H	α-helix	trans	-73.8	-31.3	176.1	-179.4	0	0	0	0	111.5	T29	V26-T29 PolarHBondContact O-OG1 3.1Å
27	T	49.7	Very low	48.2	Very low	77 Å²	77	108.4 Å²	108.4	47%	0.472	59%	0.587	S	S	.	*	H	α-helix	trans	-74.1	-33.3	175.3	44.1	0	0	0	0	113.7	F23 S24 S30 S31	F23-T27 PolarHBondContact O-N 2.85Å; F23-T27 PolarHBondContact O-OG1 3.09Å; S24-T27 WeakPolarHBondContact CA-OG1 3.46Å; S24-T27 PolarHBondContact O-N 3.17Å; S24-T27 PolarHBondContact O-OG1 3.21Å; T27-S30 PolarHBondContact O-N 3.2Å; T27-S30 PolarHBondContact O-OG 3.35Å; T27-S31 PolarHBondContact O-N 3.15Å
28	Q	45.7	Very low	48.9	Very low	116 Å²	116	107.7 Å²	107.7	54%	0.542	58%	0.579	S	S	.	*	H	α-helix	trans	-72.1	-29.5	-178.3	-84	-176.6	-16.1	0	0	113.9	S24 S30 S31 I32	S24-Q28 PolarHBondContact O-N 3.48Å; S24-Q28 VanDerWaalsContact O-N 3.11Å; Q28-S30 VanDerWaalsContact C-N 3.3Å; Q28-S30 PolarHBondContact O-N 3.28Å; Q28-S31 PolarHBondContact O-OG 3.49Å; Q28-I32 WeakPolarHBondContact O-CD1 3.46Å; Q28-I32 VanDerWaalsContact O-CG1 3.31Å; Q28-I32 WeakPolarHBondContact O-CG1 3.37Å; Q28-I32 PolarHBondContact O-N 3.3Å
29	T	47.1	Very low	49.9	Very low	103 Å²	103	106.7 Å²	106.7	63%	0.632	57%	0.569	S	S	*	*	H	α-helix	trans	-68.7	-31.3	174.8	53.2	0	0	0	0	112	V26 G33	V26-T29 PolarHBondContact O-OG1 3.1Å; T29-G33 PolarHBondContact O-N 3.02Å
30	S	47.4	Very low	51.5	Low	71 Å²	71	99.4 Å²	99.4	50%	0.497	55%	0.549	S	S	.	.	H	α-helix	trans	-73.9	-34.3	177.6	76.5	0	0	0	0	113.7	T27 Q28 K34	T27-S30 PolarHBondContact O-N 3.2Å; T27-S30 PolarHBondContact O-OG 3.35Å; Q28-S30 VanDerWaalsContact C-N 3.3Å; Q28-S30 PolarHBondContact O-N 3.28Å; S30-K34 PolarHBondContact O-N 3.43Å
31	S	48.5	Very low	52.8	Low	63 Å²	63	100.6 Å²	100.6	44%	0.441	55%	0.547	S	S	.	.	H	α-helix	trans	-77.3	-34.7	179.6	75.3	0	0	0	0	112.4	T27 Q28 G33 K34 C35	T27-S31 PolarHBondContact O-N 3.15Å; Q28-S31 PolarHBondContact O-OG 3.49Å; S31-G33 VanDerWaalsContact C-N 3.33Å; S31-K34 PolarHBondContact O-N 2.78Å; S31-C35 PolarHBondContact O-N 3.46Å
32	I	48.3	Very low	54.2	Low	109 Å²	109	103 Å²	103	56%	0.559	55%	0.553	S	S	*	*	H	α-helix	trans	-66.7	-38.2	175.3	-65.1	167.5	0	0	0	110.2	Q28 R36	Q28-I32 WeakPolarHBondContact O-CD1 3.46Å; Q28-I32 VanDerWaalsContact O-CG1 3.31Å; Q28-I32 WeakPolarHBondContact O-CG1 3.37Å; Q28-I32 PolarHBondContact O-N 3.3Å; I32-R36 WeakPolarHBondContact O-CB 3.23Å; I32-R36 PolarHBondContact O-N 3.17Å; I32-R36 VanDerWaalsContact O-N 3.08Å
33	G	46.4	Very low	56	Low	42 Å²	42	100.9 Å²	100.9	43%	0.433	54%	0.543	S	S	.	.	H	α-helix	trans	-61.2	-43.9	173.8	0	0	0	0	0	113.1	T29 S31 R36 A37	T29-G33 PolarHBondContact O-N 3.02Å; S31-G33 VanDerWaalsContact C-N 3.33Å; G33-R36 PolarHBondContact O-N 2.85Å; G33-A37 WeakPolarHBondContact O-CB 3.35Å; G33-A37 PolarHBondContact O-N 2.93Å
34	K	48.1	Very low	57.9	Low	156 Å²	156	98.9 Å²	98.9	68%	0.678	54%	0.536	S	S	*	.	H	α-helix	trans	-67.6	-46.3	178.5	-76.7	-176.2	177.9	-178.3	0	113.1	S30 S31 R36 A37 T38	S30-K34 PolarHBondContact O-N 3.43Å; S31-K34 PolarHBondContact O-N 2.78Å; K34-R36 VanDerWaalsContact C-N 3.26Å; K34-R36 PolarHBondContact O-N 3.33Å; K34-A37 PolarHBondContact O-N 2.91Å; K34-T38 WeakPolarHBondContact O-CG2 3.31Å; K34-T38 PolarHBondContact O-N 3.24Å; K34-T38 PolarHBondContact O-OG1 2.89Å
35	C	48.7	Very low	59.6	Low	92 Å²	92	100 Å²	100	62%	0.622	54%	0.535	S	S	*	.	H	α-helix	trans	-63.5	-32.6	176.9	-83.7	0	0	0	0	112.8	S31 T38 K39	S31-C35 PolarHBondContact O-N 3.46Å; C35-T38 WeakPolarHBondContact CA-OG1 3.48Å; C35-T38 PolarHBondContact O-OG1 3.4Å; C35-T38 VanDerWaalsContact O-OG1 3.11Å; C35-K39 WeakPolarHBondContact O-CB 3.37Å; C35-K39 PolarHBondContact O-N 2.95Å
36	R	52.7	Low	61.5	Low	195 Å²	195	99.3 Å²	99.3	74%	0.736	53%	0.532	S	S	*	.	H	α-helix	trans	-72	-44.4	176.7	-149.8	173.7	-169.4	168.8	1.6	110.6	I32 G33 K34 K39 T40	I32-R36 WeakPolarHBondContact O-CB 3.23Å; I32-R36 PolarHBondContact O-N 3.17Å; I32-R36 VanDerWaalsContact O-N 3.08Å; G33-R36 PolarHBondContact O-N 2.85Å; K34-R36 VanDerWaalsContact C-N 3.26Å; K34-R36 PolarHBondContact O-N 3.33Å; R36-K39 PolarHBondContact O-N 2.94Å; R36-T40 PolarHBondContact O-N 3.48Å; R36-T40 VanDerWaalsContact O-N 3.09Å; R36-T40 PolarHBondContact O-OG1 2.86Å
37	A	57.4	Low	63.4	Low	48 Å²	48	98.9 Å²	98.9	40%	0.397	52%	0.523	S	S	.	.	H	α-helix	trans	-61.2	-46.3	177.1	0	0	0	0	0	113	G33 K34 K39 T40 E41	G33-A37 WeakPolarHBondContact O-CB 3.35Å; G33-A37 PolarHBondContact O-N 2.93Å; K34-A37 PolarHBondContact O-N 2.91Å; A37-K39 VanDerWaalsContact C-N 3.28Å; A37-K39 PolarHBondContact O-N 2.77Å; A37-T40 PolarHBondContact O-N 2.95Å; A37-E41 PolarHBondContact O-N 2.82Å
38	T	62.3	Low	65.4	Low	72 Å²	72	98.6 Å²	98.6	44%	0.442	51%	0.513	S	S	.	.	H	α-helix	trans	-62.9	-36.1	178	53.7	0	0	0	0	112.2	K34 C35 E41 E42	K34-T38 WeakPolarHBondContact O-CG2 3.31Å; K34-T38 PolarHBondContact O-N 3.24Å; K34-T38 PolarHBondContact O-OG1 2.89Å; C35-T38 WeakPolarHBondContact CA-OG1 3.48Å; C35-T38 PolarHBondContact O-OG1 3.4Å; C35-T38 VanDerWaalsContact O-OG1 3.11Å; T38-E41 PolarHBondContact O-N 3.39Å; T38-E42 PolarHBondContact O-N 2.81Å
39	K	66.3	Low	67.5	Low	130 Å²	130	97.2 Å²	97.2	57%	0.565	51%	0.506	S	S	*	.	H	α-helix	trans	-68.5	-39.9	177.8	-166.5	173.7	-178	179.2	0	111.8	C35 R36 A37 E42 D43	C35-K39 WeakPolarHBondContact O-CB 3.37Å; C35-K39 PolarHBondContact O-N 2.95Å; R36-K39 PolarHBondContact O-N 2.94Å; A37-K39 VanDerWaalsContact C-N 3.28Å; A37-K39 PolarHBondContact O-N 2.77Å; K39-E42 PolarHBondContact O-N 2.75Å; K39-D43 WeakPolarHBondContact O-CB 3.37Å; K39-D43 PolarHBondContact O-N 3.39Å
40	T	76.8	Confident	69.7	Low	71 Å²	71	94.8 Å²	94.8	44%	0.436	49%	0.491	S	S	.	.	H	α-helix	trans	-63.5	-41.9	174.3	-19.7	0	0	0	0	111.7	R36 A37 D43 E44	R36-T40 PolarHBondContact O-N 3.48Å; R36-T40 VanDerWaalsContact O-N 3.09Å; R36-T40 PolarHBondContact O-OG1 2.86Å; A37-T40 PolarHBondContact O-N 2.95Å; T40-D43 PolarHBondContact O-N 3.32Å; T40-E44 WeakPolarHBondContact O-CB 3.49Å; T40-E44 WeakPolarHBondContact O-CG 3.45Å; T40-E44 PolarHBondContact O-N 3.46Å
41	E	77.8	Confident	72	Confident	130 Å²	130	94.7 Å²	94.7	61%	0.607	48%	0.48	S	S	*	.	H	α-helix	trans	-63.9	-41.9	177.7	-73.6	176.7	-178.9	0	0	112.2	A37 T38 E45	A37-E41 PolarHBondContact O-N 2.82Å; T38-E41 PolarHBondContact O-N 3.39Å; E41-E45 WeakPolarHBondContact O-CB 3.18Å; E41-E45 PolarHBondContact O-N 2.82Å
42	E	80.5	Confident	74.2	Confident	129 Å²	129	91.9 Å²	91.9	60%	0.603	46%	0.46	S	S	*	.	H	α-helix	trans	-64.5	-41.9	174.7	-77.5	-178	169.2	0	0	112.2	T38 K39 E45 N46	T38-E42 PolarHBondContact O-N 2.81Å; K39-E42 PolarHBondContact O-N 2.75Å; E42-E45 PolarHBondContact O-N 2.79Å; E42-N46 WeakPolarHBondContact O-CB 3.33Å; E42-N46 PolarHBondContact O-N 3.2Å; E42-N46 PolarHBondContact O-ND2 2.99Å; E42-N46 VanDerWaalsContact O-ND2 3.1Å
43	D	82.9	Confident	76.4	Confident	90 Å²	90	87.3 Å²	87.3	48%	0.481	44%	0.436	S	S	.	.	H	α-helix	trans	-65.9	-42.8	178.3	-71.2	-23.6	0	0	0	111.3	K39 T40 N46 E47	K39-D43 WeakPolarHBondContact O-CB 3.37Å; K39-D43 PolarHBondContact O-N 3.39Å; T40-D43 PolarHBondContact O-N 3.32Å; D43-N46 PolarHBondContact O-N 3.38Å; D43-E47 WeakPolarHBondContact O-CB 2.89Å; D43-E47 PolarHBondContact O-N 2.98Å
44	E	83.7	Confident	78.8	Confident	125 Å²	125	85.3 Å²	85.3	58%	0.584	42%	0.415	S	S	*	.	H	α-helix	trans	-63.7	-41.9	175.7	-76.7	178.5	-170.5	0	0	112.2	T40 E47 R48	T40-E44 WeakPolarHBondContact O-CB 3.49Å; T40-E44 WeakPolarHBondContact O-CG 3.45Å; T40-E44 PolarHBondContact O-N 3.46Å; E44-E47 PolarHBondContact O-N 2.94Å; E44-R48 WeakPolarHBondContact O-CB 3.34Å; E44-R48 PolarHBondContact O-N 2.72Å
45	E	85.2	Confident	81.2	Confident	75 Å²	75	77.9 Å²	77.9	35%	0.35	38%	0.383	S	S	.	.	H	α-helix	trans	-69.5	-38.8	177.4	-179.9	58	-163.6	0	0	111.4	E41 E42 R48 K49	E41-E45 WeakPolarHBondContact O-CB 3.18Å; E41-E45 PolarHBondContact O-N 2.82Å; E42-E45 PolarHBondContact O-N 2.79Å; E45-R48 PolarHBondContact O-N 2.78Å; E45-R48 IonicContact OE1-NH1 2.7Å; E45-R48 PolarHBondContact OE1-NH1 2.86Å; E45-R48 IonicContact OE2-NH1 3.68Å; E45-R48 PolarHBondContact OE2-NH1 3.2Å; E45-K49 VanDerWaalsContact O-CG 3.29Å; E45-K49 WeakPolarHBondContact O-CG 3.31Å; E45-K49 PolarHBondContact O-N 3.03Å; E45-K49 VanDerWaalsContact OE1-CE 3.31Å; E45-K49 WeakPolarHBondContact OE1-CE 3.42Å
46	N	87.4	Confident	83.3	Confident	88 Å²	88	73.5 Å²	73.5	47%	0.471	35%	0.354	S	S	.	.	H	α-helix	trans	-62.6	-43.2	173.6	-74.6	-29.5	0	0	0	111.4	E42 D43 R48 K49 T50	E42-N46 WeakPolarHBondContact O-CB 3.33Å; E42-N46 PolarHBondContact O-N 3.2Å; E42-N46 PolarHBondContact O-ND2 2.99Å; E42-N46 VanDerWaalsContact O-ND2 3.1Å; D43-N46 PolarHBondContact O-N 3.38Å; N46-R48 PolarHBondContact O-N 2.97Å; N46-K49 PolarHBondContact O-N 3.36Å; N46-T50 PolarHBondContact O-N 2.99Å; N46-T50 PolarHBondContact O-OG1 2.79Å
47	E	89.2	Confident	85.3	Confident	95 Å²	95	64.2 Å²	64.2	44%	0.444	32%	0.319	S	S	.	.	H	α-helix	trans	-62.5	-43.4	175.6	-172.8	175.6	-169.7	0	0	111.6	D43 E44 K49 T50 R51	D43-E47 WeakPolarHBondContact O-CB 2.89Å; D43-E47 PolarHBondContact O-N 2.98Å; E44-E47 PolarHBondContact O-N 2.94Å; E47-K49 PolarHBondContact O-N 2.76Å; E47-T50 PolarHBondContact O-N 2.75Å; E47-R51 VanDerWaalsContact CD-NH2 3.33Å; E47-R51 WeakPolarHBondContact O-CG 2.96Å; E47-R51 PolarHBondContact O-N 2.92Å; E47-R51 IonicContact OE1-CZ 2.8Å; E47-R51 IonicContact OE1-NE 3.67Å; E47-R51 PolarHBondContact OE1-NE 3.27Å; E47-R51 IonicContact OE1-NH2 2.75Å; E47-R51 PolarHBondContact OE1-NH2 3.07Å; E47-R51 IonicContact OE2-NH2 3.68Å
48	R	90	Very high	87.2	Confident	70 Å²	70	62 Å²	62	26%	0.264	30%	0.3	S	S	.	.	H	α-helix	trans	-58.8	-45.4	174.4	177.3	176.2	161.6	-82.8	-5.9	111.7	E44 E45 N46 R51 L52 E223	E44-R48 WeakPolarHBondContact O-CB 3.34Å; E44-R48 PolarHBondContact O-N 2.72Å; E45-R48 PolarHBondContact O-N 2.78Å; E45-R48 IonicContact OE1-NH1 2.7Å; E45-R48 PolarHBondContact OE1-NH1 2.86Å; E45-R48 IonicContact OE2-NH1 3.68Å; E45-R48 PolarHBondContact OE2-NH1 3.2Å; N46-R48 PolarHBondContact O-N 2.97Å; R48-R51 PolarHBondContact O-N 3.02Å; R48-L52 HydrophobicContact CG-CD1 4.2Å; R48-L52 WeakPolarHBondContact O-CG 3.17Å; R48-L52 PolarHBondContact O-N 2.79Å; R48-E223 IonicContact CZ-OE1 3.81Å; R48-E223 IonicContact NE-OE1 3.08Å; R48-E223 PolarHBondContact NE-OE1 3.22Å; R48-E223 IonicContact NH2-OE1 3.77Å; R48-E223 PolarHBondContact NH2-OE1 2.65Å
49	K	91.3	Very high	88.7	Confident	87 Å²	87	58.6 Å²	58.6	38%	0.378	28%	0.279	S	S	.	.	H	α-helix	trans	-61.1	-43.9	177.4	-71.7	177.9	-179.8	173.7	0	111.7	E45 N46 E47 L52 Q53 F616	E45-K49 VanDerWaalsContact O-CG 3.29Å; E45-K49 WeakPolarHBondContact O-CG 3.31Å; E45-K49 PolarHBondContact O-N 3.03Å; E45-K49 VanDerWaalsContact OE1-CE 3.31Å; E45-K49 WeakPolarHBondContact OE1-CE 3.42Å; N46-K49 PolarHBondContact O-N 3.36Å; E47-K49 PolarHBondContact O-N 2.76Å; K49-L52 PolarHBondContact O-N 3.08Å; K49-Q53 PolarHBondContact O-N 3.18Å; K49-F616 HydrophobicContact CB-CE1 4.03Å; K49-F616 HydrophobicContact CB-CZ 3.99Å; K49-F616 HydrophobicContact CD-CZ 4.37Å; K49-F616 HydrophobicContact CG-CE1 4.33Å; K49-F616 HydrophobicContact CG-CZ 3.81Å
50	T	93.5	Very high	89.9	Confident	53 Å²	53	54.1 Å²	54.1	33%	0.325	26%	0.259	S	S	.	.	H	α-helix	trans	-60.6	-46.9	174.9	-60.9	0	0	0	0	111.5	N46 E47 L52 Q53 I54 Y629	N46-T50 PolarHBondContact O-N 2.99Å; N46-T50 PolarHBondContact O-OG1 2.79Å; E47-T50 PolarHBondContact O-N 2.75Å; T50-L52 VanDerWaalsContact C-N 3.34Å; T50-L52 PolarHBondContact O-N 3.38Å; T50-Q53 PolarHBondContact O-N 3.15Å; T50-I54 HydrophobicContact CG2-CD1 3.97Å; T50-I54 VanDerWaalsContact O-CG1 3.27Å; T50-I54 WeakPolarHBondContact O-CG1 3.19Å; T50-I54 PolarHBondContact O-N 3.48Å; T50-Y629 HydrophobicContact CG2-CD1 4.21Å; T50-Y629 HydrophobicContact CG2-CE1 3.96Å
51	R	95.4	Very high	90.6	Very high	69 Å²	69	50.7 Å²	50.7	26%	0.26	24%	0.238	S	C	.	.	H	α-helix	trans	-62.6	-38.6	177.9	-68.9	178.2	-171.9	-169.8	4.3	112.5	E47 R48 I54 Y55 L217 L636	E47-R51 VanDerWaalsContact CD-NH2 3.33Å; E47-R51 WeakPolarHBondContact O-CG 2.96Å; E47-R51 PolarHBondContact O-N 2.92Å; E47-R51 IonicContact OE1-CZ 2.8Å; E47-R51 IonicContact OE1-NE 3.67Å; E47-R51 PolarHBondContact OE1-NE 3.27Å; E47-R51 IonicContact OE1-NH2 2.75Å; E47-R51 PolarHBondContact OE1-NH2 3.07Å; E47-R51 IonicContact OE2-NH2 3.68Å; R48-R51 PolarHBondContact O-N 3.02Å; R51-I54 PolarHBondContact O-N 2.93Å; R51-Y55 WeakPolarHBondContact O-CB 3.42Å; R51-Y55 PolarHBondContact O-N 3.4Å; R51-L217 HydrophobicContact CB-CD2 4.47Å; R51-L217 WeakPolarHBondContact CD-O 3.31Å; R51-L636 HydrophobicContact CG-CD1 4.44Å
52	L	94	Very high	91.3	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.016	21%	0.209	C	C	.	.	H	α-helix	trans	-62.9	-44.7	173.6	-79.6	170.9	0	0	0	112	R48 K49 T50 I54 Y55 V56 V219 E223 I227 F616	R48-L52 HydrophobicContact CG-CD1 4.2Å; R48-L52 WeakPolarHBondContact O-CG 3.17Å; R48-L52 PolarHBondContact O-N 2.79Å; K49-L52 PolarHBondContact O-N 3.08Å; T50-L52 VanDerWaalsContact C-N 3.34Å; T50-L52 PolarHBondContact O-N 3.38Å; L52-I54 PolarHBondContact O-N 2.82Å; L52-Y55 WeakPolarHBondContact O-CB 3.47Å; L52-Y55 PolarHBondContact O-N 3.33Å; L52-Y55 VanDerWaalsContact O-N 3.16Å; L52-V56 PolarHBondContact O-N 2.85Å; L52-V219 HydrophobicContact CD2-CG1 4.07Å; L52-V219 HydrophobicContact CD2-CG2 4.26Å; L52-E223 HydrophobicContact CD2-CB 4Å; L52-E223 HydrophobicContact CD2-CG 4.33Å; L52-I227 HydrophobicContact CD2-CD1 4.31Å; L52-F616 HydrophobicContact CB-CD2 4.49Å; L52-F616 HydrophobicContact CD1-CE2 4.4Å
53	Q	95.3	Very high	91.6	Very high	14 Å²	14	39.3 Å²	39.3	7%	0.065	19%	0.188	C	C	.	.	H	α-helix	trans	-61.9	-43.1	176.4	-173.6	61.8	62	0	0	111.7	K49 T50 Y55 V56 F57 F616 Y629	K49-Q53 PolarHBondContact O-N 3.18Å; T50-Q53 PolarHBondContact O-N 3.15Å; Q53-Y55 VanDerWaalsContact C-N 3.3Å; Q53-Y55 PolarHBondContact O-N 3.23Å; Q53-V56 PolarHBondContact O-N 2.94Å; Q53-F57 HydrophobicContact CG-CD2 4.39Å; Q53-F57 HydrophobicContact CG-CE2 3.77Å; Q53-F57 VanDerWaalsContact NE2-CZ 3.34Å; Q53-F57 WeakPolarHBondContact O-CD2 3.22Å; Q53-F57 PolarHBondContact O-N 3.44Å; Q53-F616 HydrophobicContact CB-CD1 4.16Å; Q53-F616 PolarHBondContact NE2-O 3.4Å; Q53-F616 VanDerWaalsContact OE1-CA 3.26Å; Q53-Y629 HydrophobicContact CG-CE2 3.84Å
54	I	96.8	Very high	91.5	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59.1	-44	173.7	-65.3	167.7	0	0	0	110.2	T50 R51 L52 V56 F57 V58 L217 Y629 T632 L633	T50-I54 HydrophobicContact CG2-CD1 3.97Å; T50-I54 VanDerWaalsContact O-CG1 3.27Å; T50-I54 WeakPolarHBondContact O-CG1 3.19Å; T50-I54 PolarHBondContact O-N 3.48Å; R51-I54 PolarHBondContact O-N 2.93Å; L52-I54 PolarHBondContact O-N 2.82Å; I54-V56 VanDerWaalsContact C-N 3.34Å; I54-V56 PolarHBondContact O-N 3.29Å; I54-F57 PolarHBondContact O-N 3.14Å; I54-F57 VanDerWaalsContact O-N 3.14Å; I54-V58 HydrophobicContact CG2-CG2 4.23Å; I54-V58 WeakPolarHBondContact O-CG2 3.36Å; I54-V58 PolarHBondContact O-N 2.67Å; I54-L217 HydrophobicContact CB-CD2 4.2Å; I54-L217 HydrophobicContact CG2-CD1 3.96Å; I54-L217 HydrophobicContact CG2-CD2 3.79Å; I54-Y629 HydrophobicContact CD1-CD1 4.23Å; I54-Y629 HydrophobicContact CD1-CG 4.48Å; I54-Y629 HydrophobicContact CG1-CD1 3.9Å; I54-Y629 HydrophobicContact CG1-CD2 4.44Å; I54-Y629 HydrophobicContact CG1-CG 3.8Å; I54-T632 HydrophobicContact CD1-CG2 3.79Å; I54-L633 HydrophobicContact CG2-CB 4.01Å; I54-L633 HydrophobicContact CG2-CD1 4.08Å; I54-L633 HydrophobicContact CG2-CD2 4.38Å; I54-L633 HydrophobicContact CG2-CG 4.39Å
55	Y	96.9	Very high	91.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.3	-37.8	-179.5	-169.6	-106.1	0	0	0	113.1	R51 L52 Q53 F57 V58 A59 Y210 F213 Q214 L217 V219 H224 I227	R51-Y55 WeakPolarHBondContact O-CB 3.42Å; R51-Y55 PolarHBondContact O-N 3.4Å; L52-Y55 WeakPolarHBondContact O-CB 3.47Å; L52-Y55 PolarHBondContact O-N 3.33Å; L52-Y55 VanDerWaalsContact O-N 3.16Å; Q53-Y55 VanDerWaalsContact C-N 3.3Å; Q53-Y55 PolarHBondContact O-N 3.23Å; Y55-F57 VanDerWaalsContact C-N 3.29Å; Y55-F57 PolarHBondContact O-N 2.67Å; Y55-V58 PolarHBondContact O-N 3.17Å; Y55-A59 HydrophobicContact CE1-CB 4.49Å; Y55-A59 VanDerWaalsContact O-CB 3.23Å; Y55-A59 WeakPolarHBondContact O-CB 3.49Å; Y55-A59 PolarHBondContact O-N 2.86Å; Y55-Y210 PolarHBondContact OH-O 3.43Å; Y55-F213 HydrophobicContact CE2-CB 4.21Å; Y55-Q214 HydrophobicContact CE2-CB 4.2Å; Y55-L217 HydrophobicContact CD2-CD1 3.75Å; Y55-L217 HydrophobicContact CG-CD1 4.4Å; Y55-V219 HydrophobicContact CD1-CB 4.5Å; Y55-V219 HydrophobicContact CD1-CG1 4.05Å; Y55-V219 HydrophobicContact CD1-CG2 4.18Å; Y55-V219 HydrophobicContact CD2-CG2 3.98Å; Y55-V219 HydrophobicContact CE1-CG1 4.23Å; Y55-V219 HydrophobicContact CG-CB 4.39Å; Y55-V219 HydrophobicContact CG-CG1 4.41Å; Y55-V219 HydrophobicContact CG-CG2 3.7Å; Y55-H224 HydrophobicContact CE1-CB 4.25Å; Y55-H224 AromaticContact CE1-ND1 3.66Å; Y55-H224 AromaticContact CZ-ND1 3.58Å; Y55-H224 PolarHBondContact OH-CE1 3.24Å; Y55-H224 PolarHBondContact OH-ND1 2.67Å; Y55-I227 HydrophobicContact CD1-CD1 3.82Å; Y55-I227 HydrophobicContact CD1-CG2 4.4Å; Y55-I227 HydrophobicContact CE1-CD1 4.5Å
56	V	94.3	Very high	91.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-57.6	-44.1	174	172	0	0	0	0	110.9	L52 Q53 I54 A59 R60 I227 F616 I617	L52-V56 PolarHBondContact O-N 2.85Å; Q53-V56 PolarHBondContact O-N 2.94Å; I54-V56 VanDerWaalsContact C-N 3.34Å; I54-V56 PolarHBondContact O-N 3.29Å; V56-A59 PolarHBondContact O-N 2.7Å; V56-R60 WeakPolarHBondContact O-CG 3.32Å; V56-R60 PolarHBondContact O-N 3.47Å; V56-R60 VanDerWaalsContact O-N 3.08Å; V56-I227 HydrophobicContact CG2-CD1 3.89Å; V56-I227 HydrophobicContact CG2-CG1 4.15Å; V56-I227 HydrophobicContact CG2-CG2 4.14Å; V56-F616 HydrophobicContact CG2-CB 4.14Å; V56-I617 HydrophobicContact CG2-CG1 4.46Å
57	F	94.9	Very high	91.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-69.3	-41.8	178.2	-66.5	-54.2	0	0	0	112.5	Q53 I54 Y55 A59 R60 C61 P621 S624 H626 Y629 F663 Y667	Q53-F57 HydrophobicContact CG-CD2 4.39Å; Q53-F57 HydrophobicContact CG-CE2 3.77Å; Q53-F57 VanDerWaalsContact NE2-CZ 3.34Å; Q53-F57 WeakPolarHBondContact O-CD2 3.22Å; Q53-F57 PolarHBondContact O-N 3.44Å; I54-F57 PolarHBondContact O-N 3.14Å; I54-F57 VanDerWaalsContact O-N 3.14Å; Y55-F57 VanDerWaalsContact C-N 3.29Å; Y55-F57 PolarHBondContact O-N 2.67Å; F57-A59 VanDerWaalsContact C-N 3.34Å; F57-A59 PolarHBondContact O-N 2.81Å; F57-R60 WeakPolarHBondContact O-CB 3.48Å; F57-R60 PolarHBondContact O-N 3.35Å; F57-C61 PolarHBondContact O-N 2.85Å; F57-C61 PolarHBondContact O-SG 2.93Å; F57-C61 VanDerWaalsContact O-SG 3.41Å; F57-P621 HydrophobicContact CE1-CB 3.97Å; F57-P621 HydrophobicContact CE1-CG 4.29Å; F57-S624 VanDerWaalsContact CZ-OG 3.31Å; F57-S624 WeakPolarHBondContact CZ-OG 3.17Å; F57-H626 AromaticContact CE1-CE1 3.85Å; F57-H626 AromaticContact CE2-CE1 3.83Å; F57-H626 AromaticContact CZ-CE1 3.75Å; F57-Y629 HydrophobicContact CD2-CD2 4.1Å; F57-Y629 HydrophobicContact CD2-CE2 4.33Å; F57-Y629 AromaticContact CE2-CD2 3.99Å; F57-Y629 HydrophobicContact CE2-CD2 3.99Å; F57-Y629 AromaticContact CE2-CE2 3.81Å; F57-Y629 HydrophobicContact CE2-CE2 3.81Å; F57-F663 HydrophobicContact CB-CD2 4.35Å; F57-F663 HydrophobicContact CB-CE2 3.63Å; F57-F663 HydrophobicContact CB-CZ 4.45Å; F57-Y667 HydrophobicContact CB-CD2 4.5Å; F57-Y667 HydrophobicContact CB-CE2 3.69Å; F57-Y667 AromaticContact CD1-CE1 3.73Å; F57-Y667 HydrophobicContact CD1-CE1 3.73Å; F57-Y667 HydrophobicContact CD1-CE2 4.23Å; F57-Y667 AromaticContact CD1-CZ 3.56Å; F57-Y667 HydrophobicContact CE1-CE1 4.28Å; F57-Y667 HydrophobicContact CG-CE1 4.48Å; F57-Y667 HydrophobicContact CG-CE2 4.27Å; F57-Y667 PolarHBondContact O-OH 2.87Å
58	V	96	Very high	91.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.7	-43.6	173.4	167.9	0	0	0	0	111.4	I54 Y55 R60 C61 I62 F213 L217 L633 V659 F663	I54-V58 HydrophobicContact CG2-CG2 4.23Å; I54-V58 WeakPolarHBondContact O-CG2 3.36Å; I54-V58 PolarHBondContact O-N 2.67Å; Y55-V58 PolarHBondContact O-N 3.17Å; V58-R60 VanDerWaalsContact C-N 3.3Å; V58-R60 PolarHBondContact O-N 3.28Å; V58-C61 WeakPolarHBondContact O-CB 3.29Å; V58-C61 PolarHBondContact O-N 3.13Å; V58-C61 VanDerWaalsContact O-N 3.09Å; V58-I62 HydrophobicContact CG1-CD1 3.93Å; V58-I62 WeakPolarHBondContact O-CG1 3.46Å; V58-I62 PolarHBondContact O-N 3.07Å; V58-F213 HydrophobicContact CG1-CB 3.76Å; V58-F213 HydrophobicContact CG1-CD1 3.92Å; V58-F213 HydrophobicContact CG1-CD2 4.23Å; V58-F213 HydrophobicContact CG1-CG 3.69Å; V58-L217 HydrophobicContact CG2-CD1 4.29Å; V58-L633 HydrophobicContact CG2-CD1 3.98Å; V58-L633 HydrophobicContact CG2-CD2 3.61Å; V58-L633 HydrophobicContact CG2-CG 4.46Å; V58-V659 HydrophobicContact CG1-CG1 3.79Å; V58-V659 HydrophobicContact CG2-CG1 4.46Å; V58-F663 HydrophobicContact CG2-CD2 4.28Å
59	A	94	Very high	91.5	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-63.1	-37.2	178.7	0	0	0	0	0	111.6	Y55 V56 F57 I62 A63 Y210 I227 L231	Y55-A59 HydrophobicContact CE1-CB 4.49Å; Y55-A59 VanDerWaalsContact O-CB 3.23Å; Y55-A59 WeakPolarHBondContact O-CB 3.49Å; Y55-A59 PolarHBondContact O-N 2.86Å; V56-A59 PolarHBondContact O-N 2.7Å; F57-A59 VanDerWaalsContact C-N 3.34Å; F57-A59 PolarHBondContact O-N 2.81Å; A59-I62 PolarHBondContact O-N 2.92Å; A59-A63 VanDerWaalsContact O-CB 3.29Å; A59-A63 WeakPolarHBondContact O-CB 3.17Å; A59-A63 PolarHBondContact O-N 2.71Å; A59-Y210 HydrophobicContact CB-CE1 3.94Å; A59-Y210 PolarHBondContact O-OH 3.24Å; A59-I227 HydrophobicContact CB-CG2 4.16Å; A59-L231 HydrophobicContact CB-CD1 3.5Å; A59-L231 VanDerWaalsContact CB-CD1 3.5Å
60	R	91	Very high	91.2	Very high	36 Å²	36	26.4 Å²	26.4	14%	0.136	13%	0.126	C	C	.	.	H	α-helix	trans	-63.2	-39.8	171.6	-73.1	173	178.9	167.1	1.8	112.5	V56 F57 V58 Y64 L231 I617 R666	V56-R60 WeakPolarHBondContact O-CG 3.32Å; V56-R60 PolarHBondContact O-N 3.47Å; V56-R60 VanDerWaalsContact O-N 3.08Å; F57-R60 WeakPolarHBondContact O-CB 3.48Å; F57-R60 PolarHBondContact O-N 3.35Å; V58-R60 VanDerWaalsContact C-N 3.3Å; V58-R60 PolarHBondContact O-N 3.28Å; R60-Y64 PolarHBondContact O-N 3.29Å; R60-Y64 VanDerWaalsContact O-N 3.11Å; R60-L231 HydrophobicContact CG-CD1 4.04Å; R60-L231 HydrophobicContact CG-CD2 3.79Å; R60-I617 PolarHBondContact NH2-O 3.08Å; R60-R666 PolarHBondContact O-NH1 3.02Å
61	C	92.5	Very high	90.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.1	-41.1	174	-68.3	0	0	0	0	112.1	F57 V58 H65 E662 F663	F57-C61 PolarHBondContact O-N 2.85Å; F57-C61 PolarHBondContact O-SG 2.93Å; F57-C61 VanDerWaalsContact O-SG 3.41Å; V58-C61 WeakPolarHBondContact O-CB 3.29Å; V58-C61 PolarHBondContact O-N 3.13Å; V58-C61 VanDerWaalsContact O-N 3.09Å; C61-H65 WeakPolarHBondContact O-CB 3.48Å; C61-H65 PolarHBondContact O-N 3.34Å; C61-E662 HydrophobicContact CB-CB 4.13Å; C61-E662 HydrophobicContact CB-CG 3.69Å; C61-F663 VanDerWaalsContact SG-CA 3.58Å
62	I	92.2	Very high	89.9	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-71.9	-43.4	178.9	-62.9	165.4	0	0	0	111.1	V58 A59 N206 L209 Y210 F213 V659	V58-I62 HydrophobicContact CG1-CD1 3.93Å; V58-I62 WeakPolarHBondContact O-CG1 3.46Å; V58-I62 PolarHBondContact O-N 3.07Å; A59-I62 PolarHBondContact O-N 2.92Å; I62-N206 HydrophobicContact CG2-CB 3.93Å; I62-N206 PolarHBondContact O-ND2 2.79Å; I62-L209 HydrophobicContact CD1-CB 3.85Å; I62-L209 HydrophobicContact CG1-CB 4.09Å; I62-L209 HydrophobicContact CG1-CD1 4.47Å; I62-L209 HydrophobicContact CG2-CB 4.01Å; I62-L209 HydrophobicContact CG2-CD1 4.22Å; I62-Y210 HydrophobicContact CB-CD1 4.38Å; I62-Y210 HydrophobicContact CB-CE1 3.82Å; I62-Y210 HydrophobicContact CB-CE2 4.49Å; I62-Y210 HydrophobicContact CD1-CD1 3.85Å; I62-Y210 HydrophobicContact CD1-CE1 4.09Å; I62-Y210 HydrophobicContact CD1-CG 4.42Å; I62-Y210 HydrophobicContact CG2-CD1 4.2Å; I62-Y210 HydrophobicContact CG2-CD2 4.04Å; I62-Y210 HydrophobicContact CG2-CE1 3.82Å; I62-Y210 HydrophobicContact CG2-CE2 3.62Å; I62-Y210 HydrophobicContact CG2-CG 4.3Å; I62-Y210 VanDerWaalsContact CG2-CZ 3.5Å; I62-F213 HydrophobicContact CD1-CD2 4.32Å; I62-V659 HydrophobicContact CG1-CG2 4.02Å
63	A	86.7	Confident	89.1	Confident	20 Å²	20	34.6 Å²	34.6	17%	0.165	18%	0.175	C	C	.	.	H	α-helix	trans	-63	-46.1	-177.3	0	0	0	0	0	112.2	A59 Y210	A59-A63 VanDerWaalsContact O-CB 3.29Å; A59-A63 WeakPolarHBondContact O-CB 3.17Å; A59-A63 PolarHBondContact O-N 2.71Å; A63-Y210 WeakPolarHBondContact CA-OH 3.36Å; A63-Y210 WeakPolarHBondContact CB-OH 3.34Å; A63-Y210 PolarHBondContact N-OH 2.84Å
64	Y	81.9	Confident	88.1	Confident	21 Å²	21	36.8 Å²	36.8	8%	0.082	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.2	60.5	-166.8	-45.3	-49.6	0	0	0	111.9	R60 L231 L233 Q239 R666	R60-Y64 PolarHBondContact O-N 3.29Å; R60-Y64 VanDerWaalsContact O-N 3.11Å; Y64-L231 PolarHBondContact OH-O 2.88Å; Y64-L233 HydrophobicContact CE1-CB 4.45Å; Y64-L233 HydrophobicContact CE2-CD1 4.04Å; Y64-L233 HydrophobicContact CE2-CG 4.46Å; Y64-L233 WeakPolarHBondContact OH-CB 3.43Å; Y64-L233 PolarHBondContact OH-N 3.2Å; Y64-Q239 HydrophobicContact CD1-CB 3.61Å; Y64-Q239 HydrophobicContact CD1-CG 3.33Å; Y64-Q239 VanDerWaalsContact CD1-OE1 3.29Å; Y64-Q239 HydrophobicContact CE1-CB 3.98Å; Y64-Q239 HydrophobicContact CE1-CG 3.21Å; Y64-Q239 VanDerWaalsContact CE1-NE2 3.34Å; Y64-Q239 HydrophobicContact CG-CB 4.01Å; Y64-Q239 HydrophobicContact CG-CG 4.16Å; Y64-R666 PolarHBondContact O-NH1 3.36Å; Y64-R666 VanDerWaalsContact O-NH1 3.16Å
65	H	85.5	Confident	87.1	Confident	85 Å²	85	42.2 Å²	42.2	39%	0.394	22%	0.218	S	C	.	.			trans	-77.1	137.1	179.4	64.7	82.2	0	0	0	112.2	C61 F658 E662	C61-H65 WeakPolarHBondContact O-CB 3.48Å; C61-H65 PolarHBondContact O-N 3.34Å; H65-F658 HydrophobicContact CB-CE2 3.79Å; H65-F658 HydrophobicContact CB-CZ 3.58Å; H65-F658 AromaticContact CD2-CZ 3.8Å; H65-F658 AromaticContact CG-CE2 3.91Å; H65-F658 AromaticContact CG-CZ 3.63Å; H65-E662 HydrophobicContact CB-CG 4.13Å
66	F	85.3	Confident	86.1	Confident	21 Å²	21	50.8 Å²	50.8	9%	0.092	25%	0.25	C	S	.	.			trans	-144.1	-6.9	176.2	63.7	-79.1	0	0	0	113.7	I243 L287 N290 L291 V294 E662	F66-I243 HydrophobicContact CD1-CD1 3.54Å; F66-I243 HydrophobicContact CD1-CG1 4.29Å; F66-I243 HydrophobicContact CD1-CG2 4.43Å; F66-I243 HydrophobicContact CE1-CB 4.39Å; F66-I243 HydrophobicContact CE1-CD1 3.61Å; F66-I243 HydrophobicContact CE1-CG1 3.85Å; F66-I243 HydrophobicContact CE1-CG2 3.59Å; F66-I243 HydrophobicContact CE2-CG2 4.12Å; F66-I243 HydrophobicContact CG-CD1 4.36Å; F66-I243 HydrophobicContact CZ-CD1 4.47Å; F66-I243 HydrophobicContact CZ-CG2 3.4Å; F66-I243 VanDerWaalsContact CZ-CG2 3.4Å; F66-L287 HydrophobicContact CE2-CB 4.12Å; F66-L287 HydrophobicContact CE2-CD2 4.36Å; F66-N290 HydrophobicContact CD2-CB 4.04Å; F66-L291 HydrophobicContact CD2-CB 4.12Å; F66-L291 HydrophobicContact CE2-CB 4.37Å; F66-V294 HydrophobicContact CB-CG2 4.18Å; F66-E662 PolarHBondContact N-OE1 2.71Å; F66-E662 PolarHBondContact N-OE2 3.34Å
67	N	87.3	Confident	85.5	Confident	31 Å²	31	53.7 Å²	53.7	17%	0.166	26%	0.262	C	S	.	.	S	Bend	trans	-105.8	-32.7	-174.7	-59	-62.4	0	0	0	113	L287 N290 E662 A665	N67-L287 VanDerWaalsContact CG-CD2 3.49Å; N67-L287 WeakPolarHBondContact OD1-CD2 3.22Å; N67-N290 PolarHBondContact OD1-ND2 3.41Å; N67-E662 WeakPolarHBondContact CA-OE2 3.4Å; N67-E662 WeakPolarHBondContact CB-OE2 3.48Å; N67-E662 PolarHBondContact N-OE2 2.86Å; N67-E662 PolarHBondContact ND2-OE1 2.9Å; N67-A665 HydrophobicContact CB-CB 3.63Å
68	A	89.2	Confident	85	Confident	12 Å²	12	61.3 Å²	61.3	10%	0.099	29%	0.29	C	S	.	.			trans	-121.5	162.7	-178.3	0	0	0	0	0	112	F658 D661 E662	A68-F658 HydrophobicContact CB-CD2 3.82Å; A68-F658 HydrophobicContact CB-CE2 4.17Å; A68-F658 WeakPolarHBondContact O-CE2 3.45Å; A68-D661 HydrophobicContact CB-CB 3.81Å; A68-E662 HydrophobicContact CB-CB 4.06Å; A68-E662 PolarHBondContact N-OE2 3.11Å
69	K	86.6	Confident	84.4	Confident	159 Å²	159	63.2 Å²	63.2	69%	0.691	31%	0.31	S	S	*	.			trans	-138.2	153.5	170.2	-64.4	-174	-179.8	-173.2	0	108	P71	K69-P71 VanDerWaalsContact O-CD 3.3Å; K69-P71 WeakPolarHBondContact O-CD 3.17Å
70	Q	86.5	Confident	84.3	Confident	29 Å²	29	64.7 Å²	64.7	14%	0.136	32%	0.316	C	S	.	.			trans	-61.8	121.1	174.7	-70	-177.1	58.7	0	0	110.6	T72 I203 M204 F658	Q70-T72 PolarHBondContact O-N 2.68Å; Q70-I203 HydrophobicContact CB-CG2 4.41Å; Q70-M204 PolarHBondContact NE2-O 3.48Å; Q70-F658 HydrophobicContact CB-CB 4.43Å; Q70-F658 HydrophobicContact CG-CB 3.61Å; Q70-F658 HydrophobicContact CG-CD1 3.93Å; Q70-F658 HydrophobicContact CG-CD2 4.37Å; Q70-F658 HydrophobicContact CG-CG 3.69Å
71	P	84	Confident	84.3	Confident	42 Å²	42	63 Å²	63	27%	0.273	31%	0.31	S	S	.	.			trans	-61.5	130.6	178.5	-23.7	34.1	0	0	0	111.6	K69 M74 P654	K69-P71 VanDerWaalsContact O-CD 3.3Å; K69-P71 WeakPolarHBondContact O-CD 3.17Å; P71-M74 HydrophobicContact CB-CG 3.91Å; P71-M74 HydrophobicContact CB-SD 3.96Å; P71-M74 HydrophobicContact CG-SD 4.16Å; P71-P654 WeakPolarHBondContact CD-O 3.45Å; P71-P654 WeakPolarHBondContact O-CB 3.37Å
72	T	77.4	Confident	84.3	Confident	111 Å²	111	65.9 Å²	65.9	68%	0.681	33%	0.327	S	S	*	.	S	Bend	trans	-94.4	-14.9	-179	54.5	0	0	0	0	114	Q70 I203	Q70-T72 PolarHBondContact O-N 2.68Å; T72-I203 HydrophobicContact CG2-CD1 3.95Å
73	E	76	Confident	84.3	Confident	145 Å²	145	73.2 Å²	73.2	68%	0.678	36%	0.359	S	S	*	.			trans	-107.6	20	-169.8	-63.1	-175.1	170	0	0	113.6
74	M	74.4	Confident	84.5	Confident	60 Å²	60	80 Å²	80	30%	0.296	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-76.1	143.3	177.3	-67.4	-174.4	73.8	0	0	111.8	P71 R76 F652 P654 M657	P71-M74 HydrophobicContact CB-CG 3.91Å; P71-M74 HydrophobicContact CB-SD 3.96Å; P71-M74 HydrophobicContact CG-SD 4.16Å; M74-R76 PolarHBondContact O-N 3.25Å; M74-F652 WeakPolarHBondContact CE-O 3.5Å; M74-P654 HydrophobicContact CB-CG 4.21Å; M74-P654 HydrophobicContact CG-CG 4.39Å; M74-P654 HydrophobicContact SD-CB 4.08Å; M74-P654 HydrophobicContact SD-CG 3.8Å; M74-M657 HydrophobicContact CE-CG 4.36Å; M74-M657 HydrophobicContact SD-CG 4.48Å
75	V	76.1	Confident	85	Confident	113 Å²	113	82.8 Å²	82.8	69%	0.685	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-63.1	117.7	174.2	179.1	0	0	0	0	108.9	R77	V75-R77 PolarHBondContact O-N 2.91Å
76	R	75.4	Confident	85.4	Confident	180 Å²	180	78.9 Å²	78.9	68%	0.679	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-65.3	127.9	176.4	-71.7	-175.2	-177.8	168.8	0.9	110.5	M74 D201	M74-R76 PolarHBondContact O-N 3.25Å; R76-D201 HydrophobicContact CG-CB 4.42Å
77	R	82.9	Confident	85.8	Confident	62 Å²	62	80.9 Å²	80.9	23%	0.234	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-85	155.5	177	-60.7	-63.9	177.8	174	-4.6	110.3	V75 D201 I646 W651 D693	V75-R77 PolarHBondContact O-N 2.91Å; R77-D201 PolarHBondContact N-OD2 2.9Å; R77-I646 HydrophobicContact CB-CD1 4.18Å; R77-W651 VanDerWaalsContact NH2-CG 3.34Å; R77-D693 IonicContact NH2-OD2 3.84Å
78	R	83.3	Confident	86.1	Confident	159 Å²	159	84.9 Å²	84.9	60%	0.6	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-103.7	162.4	-177.5	-61.7	-64.2	-172	172.8	2.3	110.1	K80 V138 I646 C647	R78-K80 PolarHBondContact O-N 3.24Å; R78-V138 HydrophobicContact CG-CG2 4.02Å; R78-I646 CarbonylContact O-C 3.51Å; R78-I646 WeakPolarHBondContact O-CA 3.29Å; R78-C647 PolarHBondContact O-N 3.34Å
79	G	85	Confident	86.3	Confident	40 Å²	40	84.6 Å²	84.6	41%	0.412	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-55.9	133.8	172.6	0	0	0	0	0	110.7	S136 S645	G79-S136 WeakPolarHBondContact O-CA 3.5Å; G79-S136 VanDerWaalsContact O-CB 3.31Å; G79-S136 WeakPolarHBondContact O-CB 3.44Å; G79-S645 WeakPolarHBondContact CA-O 3.32Å
80	K	90.8	Very high	86.7	Confident	33 Å²	33	79.6 Å²	79.6	14%	0.143	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-79.4	139.4	172.9	70.7	-170.9	-175.4	-163.9	0	109	R78 V82 F135 L642 E644 S645 C647	R78-K80 PolarHBondContact O-N 3.24Å; K80-V82 HydrophobicContact CG-CG1 4.12Å; K80-V82 PolarHBondContact O-N 2.97Å; K80-F135 WeakPolarHBondContact CA-O 3.14Å; K80-L642 PolarHBondContact NZ-O 3.41Å; K80-E644 WeakPolarHBondContact CE-O 3.25Å; K80-E644 PolarHBondContact NZ-O 3.07Å; K80-S645 PolarHBondContact N-O 3.16Å; K80-C647 HydrophobicContact CB-CB 3.91Å
81	V	91.4	Very high	87.1	Confident	1 Å²	1	84.4 Å²	84.4	1%	0.006	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-73.7	125	169.2	178.4	0	0	0	0	107	E85 L86 I89 V130 F135 F140	V81-E85 HydrophobicContact CG1-CB 4.08Å; V81-E85 HydrophobicContact CG1-CG 4.2Å; V81-L86 HydrophobicContact CG1-CB 4.17Å; V81-I89 HydrophobicContact CG1-CD1 4.15Å; V81-V130 HydrophobicContact CB-CG2 4.45Å; V81-V130 HydrophobicContact CG1-CG2 4.32Å; V81-V130 WeakPolarHBondContact O-CG1 3.23Å; V81-F135 PolarHBondContact N-O 3.02Å; V81-F140 HydrophobicContact CB-CE2 3.94Å; V81-F140 HydrophobicContact CB-CZ 4.35Å; V81-F140 HydrophobicContact CG1-CE2 4.07Å; V81-F140 HydrophobicContact CG1-CZ 3.96Å; V81-F140 HydrophobicContact CG2-CD2 3.97Å; V81-F140 HydrophobicContact CG2-CE2 3.76Å; V81-F140 HydrophobicContact CG2-CZ 4.4Å
82	V	91.7	Very high	87.5	Confident	59 Å²	59	85 Å²	85	36%	0.358	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-98.6	164.6	174.4	-64.7	0	0	0	0	110.8	K80 Q84 E85 L86	K80-V82 HydrophobicContact CG-CG1 4.12Å; K80-V82 PolarHBondContact O-N 2.97Å; V82-Q84 HydrophobicContact CG2-CB 4.48Å; V82-Q84 PolarHBondContact O-N 3.4Å; V82-Q84 VanDerWaalsContact O-N 3.11Å; V82-E85 HydrophobicContact CG2-CB 4.03Å; V82-E85 WeakPolarHBondContact O-CA 3.28Å; V82-E85 WeakPolarHBondContact O-CB 3.47Å; V82-E85 PolarHBondContact O-N 2.73Å; V82-L86 PolarHBondContact O-N 2.92Å
83	K	92.7	Very high	88.4	Confident	154 Å²	154	79.7 Å²	79.7	67%	0.67	37%	0.368	S	S	*	.	H	α-helix	trans	-49.9	-41.4	-178.5	-175.8	176.7	-179.5	176.6	0	113.8	L86 N87	K83-L86 PolarHBondContact O-N 3.44Å; K83-N87 PolarHBondContact O-N 3.35Å; K83-N87 VanDerWaalsContact O-N 3.11Å
84	Q	91.9	Very high	89.3	Confident	163 Å²	163	74 Å²	74	76%	0.762	34%	0.344	S	S	*	.	H	α-helix	trans	-65.3	-39.9	177.8	-67.4	176.9	-6.9	0	0	112.1	V82 N87 R88	V82-Q84 HydrophobicContact CG2-CB 4.48Å; V82-Q84 PolarHBondContact O-N 3.4Å; V82-Q84 VanDerWaalsContact O-N 3.11Å; Q84-N87 PolarHBondContact O-N 3.44Å; Q84-R88 PolarHBondContact O-N 3.48Å
85	E	90.9	Very high	90.2	Very high	79 Å²	79	73 Å²	73	37%	0.369	34%	0.342	S	S	.	.	H	α-helix	trans	-70.9	-39.4	178.4	-170.5	171.9	-169.6	0	0	111.4	V81 V82 N87 R88 I89	V81-E85 HydrophobicContact CG1-CB 4.08Å; V81-E85 HydrophobicContact CG1-CG 4.2Å; V82-E85 HydrophobicContact CG2-CB 4.03Å; V82-E85 WeakPolarHBondContact O-CA 3.28Å; V82-E85 WeakPolarHBondContact O-CB 3.47Å; V82-E85 PolarHBondContact O-N 2.73Å; E85-N87 VanDerWaalsContact C-N 3.31Å; E85-N87 PolarHBondContact O-N 3.37Å; E85-R88 WeakPolarHBondContact O-CB 3.39Å; E85-R88 PolarHBondContact O-N 3.13Å; E85-I89 HydrophobicContact CG-CD1 4.16Å; E85-I89 WeakPolarHBondContact O-CD1 3.46Å; E85-I89 VanDerWaalsContact O-CG1 3.23Å; E85-I89 WeakPolarHBondContact O-CG1 3.39Å; E85-I89 PolarHBondContact O-N 3.16Å
86	L	94.5	Very high	91.1	Very high	3 Å²	3	68.2 Å²	68.2	2%	0.016	31%	0.312	C	S	.	.	H	α-helix	trans	-56.9	-44.4	171	174.2	61	0	0	0	111.6	V81 V82 K83 I89 R90 A127 V130 F140	V81-L86 HydrophobicContact CG1-CB 4.17Å; V82-L86 PolarHBondContact O-N 2.92Å; K83-L86 PolarHBondContact O-N 3.44Å; L86-I89 PolarHBondContact O-N 3.3Å; L86-R90 HydrophobicContact CD1-CG 4.39Å; L86-R90 WeakPolarHBondContact O-CG 3.42Å; L86-R90 PolarHBondContact O-N 2.81Å; L86-A127 HydrophobicContact CD2-CB 4.31Å; L86-V130 HydrophobicContact CB-CG1 4.34Å; L86-V130 HydrophobicContact CD2-CB 4.34Å; L86-V130 HydrophobicContact CD2-CG1 4.29Å; L86-V130 HydrophobicContact CD2-CG2 4.26Å; L86-F140 HydrophobicContact CD1-CE1 3.76Å; L86-F140 HydrophobicContact CD1-CZ 3.88Å
87	N	94.4	Very high	91.9	Very high	64 Å²	64	62.4 Å²	62.4	34%	0.342	29%	0.294	S	S	.	.	H	α-helix	trans	-63.7	-43.8	177	-71.2	-13.8	0	0	0	111.7	K83 Q84 E85 I89 R90 E91	K83-N87 PolarHBondContact O-N 3.35Å; K83-N87 VanDerWaalsContact O-N 3.11Å; Q84-N87 PolarHBondContact O-N 3.44Å; E85-N87 VanDerWaalsContact C-N 3.31Å; E85-N87 PolarHBondContact O-N 3.37Å; N87-I89 VanDerWaalsContact C-N 3.32Å; N87-I89 PolarHBondContact O-N 3.22Å; N87-R90 WeakPolarHBondContact O-CB 3.3Å; N87-R90 PolarHBondContact O-N 2.99Å; N87-E91 WeakPolarHBondContact O-CG 3.39Å; N87-E91 PolarHBondContact O-N 3.16Å
88	R	92.8	Very high	92.4	Very high	114 Å²	114	68.4 Å²	68.4	43%	0.43	32%	0.317	S	S	.	.	H	α-helix	trans	-59.5	-42.1	174.7	-171.8	-174.3	-173.1	-178.3	7.9	112	Q84 E85 E91 R92 D182	Q84-R88 PolarHBondContact O-N 3.48Å; E85-R88 WeakPolarHBondContact O-CB 3.39Å; E85-R88 PolarHBondContact O-N 3.13Å; R88-E91 PolarHBondContact O-N 2.99Å; R88-R92 WeakPolarHBondContact O-CG 3.32Å; R88-R92 PolarHBondContact O-N 2.91Å; R88-D182 IonicContact NH2-OD2 2.73Å; R88-D182 PolarHBondContact NH2-OD2 3.43Å; R88-D182 VanDerWaalsContact NH2-OD2 3.1Å
89	I	93.6	Very high	92.7	Very high	7 Å²	7	62.9 Å²	62.9	4%	0.036	31%	0.31	C	S	.	.	H	α-helix	trans	-62	-48.9	176	-67.7	161.3	0	0	0	109.5	V81 E85 L86 N87 E91 R92 F93 L121 F140 Y178	V81-I89 HydrophobicContact CG1-CD1 4.15Å; E85-I89 HydrophobicContact CG-CD1 4.16Å; E85-I89 WeakPolarHBondContact O-CD1 3.46Å; E85-I89 VanDerWaalsContact O-CG1 3.23Å; E85-I89 WeakPolarHBondContact O-CG1 3.39Å; E85-I89 PolarHBondContact O-N 3.16Å; L86-I89 PolarHBondContact O-N 3.3Å; N87-I89 VanDerWaalsContact C-N 3.32Å; N87-I89 PolarHBondContact O-N 3.22Å; I89-E91 VanDerWaalsContact C-N 3.32Å; I89-E91 PolarHBondContact O-N 2.86Å; I89-R92 PolarHBondContact O-N 3.07Å; I89-F93 HydrophobicContact CG2-CD2 3.86Å; I89-F93 HydrophobicContact CG2-CE2 3.84Å; I89-F93 VanDerWaalsContact O-CD2 3.25Å; I89-F93 WeakPolarHBondContact O-CD2 3.34Å; I89-F93 PolarHBondContact O-N 3.29Å; I89-L121 HydrophobicContact CG2-CD1 4.26Å; I89-L121 HydrophobicContact CG2-CD2 3.96Å; I89-F140 HydrophobicContact CD1-CD1 4.38Å; I89-F140 HydrophobicContact CD1-CE1 4.3Å; I89-Y178 HydrophobicContact CD1-CE2 3.75Å; I89-Y178 WeakPolarHBondContact CD1-OH 3.46Å; I89-Y178 HydrophobicContact CG1-CE2 4.08Å; I89-Y178 HydrophobicContact CG2-CD2 4.36Å; I89-Y178 HydrophobicContact CG2-CE2 4.18Å
90	R	95.6	Very high	92.9	Very high	53 Å²	53	66.2 Å²	66.2	20%	0.2	32%	0.318	C	S	.	.	H	α-helix	trans	-55.7	-45.7	176.9	-73.9	169.1	173.8	176.7	-8.2	112	L86 N87 F93 T94 Y117 L121	L86-R90 HydrophobicContact CD1-CG 4.39Å; L86-R90 WeakPolarHBondContact O-CG 3.42Å; L86-R90 PolarHBondContact O-N 2.81Å; N87-R90 WeakPolarHBondContact O-CB 3.3Å; N87-R90 PolarHBondContact O-N 2.99Å; R90-F93 PolarHBondContact O-N 3.06Å; R90-T94 WeakPolarHBondContact O-CB 3.05Å; R90-T94 PolarHBondContact O-N 3.48Å; R90-T94 PolarHBondContact O-OG1 3.37Å; R90-Y117 HydrophobicContact CB-CE2 4.32Å; R90-Y117 WeakPolarHBondContact O-CE2 3.49Å; R90-L121 HydrophobicContact CG-CB 4.26Å; R90-L121 PolarHBondContact NE-O 2.98Å; R90-L121 PolarHBondContact NH2-O 3.39Å
91	E	94.3	Very high	92.7	Very high	130 Å²	130	66 Å²	66	61%	0.607	32%	0.318	S	S	*	.	H	α-helix	trans	-60.1	-46.9	177.6	-74.2	169.6	-172.4	0	0	111.8	N87 R88 I89 F93 T94 S95	N87-E91 WeakPolarHBondContact O-CG 3.39Å; N87-E91 PolarHBondContact O-N 3.16Å; R88-E91 PolarHBondContact O-N 2.99Å; I89-E91 VanDerWaalsContact C-N 3.32Å; I89-E91 PolarHBondContact O-N 2.86Å; E91-F93 PolarHBondContact O-N 3.26Å; E91-T94 WeakPolarHBondContact O-CB 3.4Å; E91-T94 PolarHBondContact O-N 2.97Å; E91-T94 VanDerWaalsContact O-N 3.15Å; E91-S95 PolarHBondContact O-N 3Å; E91-S95 PolarHBondContact O-OG 3.04Å
92	R	92.2	Very high	92.4	Very high	54 Å²	54	74.7 Å²	74.7	20%	0.204	36%	0.359	C	S	.	.	H	α-helix	trans	-61.3	-44.3	178.3	-72.8	-170.8	71.9	87.8	0.9	112.9	R88 I89 T94 S95 F96 I101 I177 R179	R88-R92 WeakPolarHBondContact O-CG 3.32Å; R88-R92 PolarHBondContact O-N 2.91Å; I89-R92 PolarHBondContact O-N 3.07Å; R92-T94 VanDerWaalsContact C-N 3.27Å; R92-T94 PolarHBondContact O-N 3.06Å; R92-S95 PolarHBondContact O-N 3.06Å; R92-F96 PolarHBondContact O-N 3.45Å; R92-I101 WeakPolarHBondContact O-CD1 3.02Å; R92-I177 PolarHBondContact NE-O 3.37Å; R92-R179 PolarHBondContact NE-O 3.36Å; R92-R179 PolarHBondContact NH2-O 2.94Å
93	F	95.6	Very high	92.1	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-64.8	-36	176.8	-83.7	-108.1	0	0	0	111.3	I89 R90 E91 F96 L97 I113 Y116 Y117 L121 F174 I177 Y178	I89-F93 HydrophobicContact CG2-CD2 3.86Å; I89-F93 HydrophobicContact CG2-CE2 3.84Å; I89-F93 VanDerWaalsContact O-CD2 3.25Å; I89-F93 WeakPolarHBondContact O-CD2 3.34Å; I89-F93 PolarHBondContact O-N 3.29Å; R90-F93 PolarHBondContact O-N 3.06Å; E91-F93 PolarHBondContact O-N 3.26Å; F93-F96 PolarHBondContact O-N 3.12Å; F93-L97 VanDerWaalsContact O-CG 3.29Å; F93-L97 WeakPolarHBondContact O-CG 3.4Å; F93-L97 PolarHBondContact O-N 2.73Å; F93-I113 HydrophobicContact CD1-CG2 3.77Å; F93-I113 HydrophobicContact CE1-CD1 3.96Å; F93-I113 HydrophobicContact CE1-CG2 4.22Å; F93-Y116 HydrophobicContact CD1-CD1 4.1Å; F93-Y116 HydrophobicContact CD1-CE1 4.36Å; F93-Y116 AromaticContact CE1-CD1 3.65Å; F93-Y116 HydrophobicContact CE1-CD1 3.65Å; F93-Y116 AromaticContact CE1-CE1 3.71Å; F93-Y116 HydrophobicContact CE1-CE1 3.71Å; F93-Y116 HydrophobicContact CZ-CD1 4.37Å; F93-Y116 AromaticContact CZ-CE1 3.96Å; F93-Y116 HydrophobicContact CZ-CE1 3.96Å; F93-Y117 HydrophobicContact CB-CD2 3.83Å; F93-Y117 HydrophobicContact CB-CE2 4.44Å; F93-L121 HydrophobicContact CB-CD1 3.9Å; F93-L121 HydrophobicContact CD1-CD1 3.72Å; F93-L121 HydrophobicContact CD2-CD1 3.9Å; F93-L121 HydrophobicContact CE1-CD1 4.24Å; F93-L121 HydrophobicContact CE2-CD1 4.37Å; F93-L121 HydrophobicContact CG-CD1 3.55Å; F93-F174 HydrophobicContact CE1-CD2 4.13Å; F93-F174 AromaticContact CE1-CE2 3.92Å; F93-F174 HydrophobicContact CE1-CE2 3.92Å; F93-F174 AromaticContact CZ-CD2 3.87Å; F93-F174 HydrophobicContact CZ-CD2 3.87Å; F93-F174 AromaticContact CZ-CE2 3.49Å; F93-F174 HydrophobicContact CZ-CE2 3.49Å; F93-F174 VanDerWaalsContact CZ-CE2 3.49Å; F93-F174 HydrophobicContact CZ-CZ 4.12Å; F93-I177 HydrophobicContact CD1-CG2 4.25Å; F93-I177 HydrophobicContact CD2-CG2 3.8Å; F93-I177 HydrophobicContact CE1-CG2 4.24Å; F93-I177 HydrophobicContact CE2-CG2 3.83Å; F93-I177 HydrophobicContact CG-CG2 4.02Å; F93-I177 HydrophobicContact CZ-CG2 4.04Å; F93-Y178 HydrophobicContact CE2-CD2 4.18Å
94	T	95.1	Very high	91.8	Very high	27 Å²	27	72.9 Å²	72.9	17%	0.166	36%	0.359	C	S	.	.	H	α-helix	trans	-65.2	-43.6	173.6	-49.9	0	0	0	0	111.4	R90 E91 R92 F96 L97 R98 Y117	R90-T94 WeakPolarHBondContact O-CB 3.05Å; R90-T94 PolarHBondContact O-N 3.48Å; R90-T94 PolarHBondContact O-OG1 3.37Å; E91-T94 WeakPolarHBondContact O-CB 3.4Å; E91-T94 PolarHBondContact O-N 2.97Å; E91-T94 VanDerWaalsContact O-N 3.15Å; R92-T94 VanDerWaalsContact C-N 3.27Å; R92-T94 PolarHBondContact O-N 3.06Å; T94-F96 VanDerWaalsContact C-N 3.35Å; T94-F96 PolarHBondContact O-N 3.16Å; T94-L97 PolarHBondContact O-N 3.1Å; T94-R98 WeakPolarHBondContact O-CG 3.22Å; T94-R98 PolarHBondContact O-N 3.04Å; T94-Y117 VanDerWaalsContact OG1-CE2 3.27Å; T94-Y117 WeakPolarHBondContact OG1-CE2 3.35Å; T94-Y117 PolarHBondContact OG1-OH 3.43Å
95	S	93.7	Very high	91.6	Very high	38 Å²	38	67.2 Å²	67.2	27%	0.266	34%	0.335	S	S	.	.	H	α-helix	trans	-62	-39.4	175.7	-77	0	0	0	0	112.5	E91 R92 R98 G99 D100 I101	E91-S95 PolarHBondContact O-N 3Å; E91-S95 PolarHBondContact O-OG 3.04Å; R92-S95 PolarHBondContact O-N 3.06Å; S95-R98 PolarHBondContact O-N 2.7Å; S95-G99 PolarHBondContact O-N 3.45Å; S95-D100 WeakPolarHBondContact O-CB 3.28Å; S95-D100 PolarHBondContact O-N 2.9Å; S95-D100 PolarHBondContact OG-OD2 3.16Å; S95-I101 PolarHBondContact O-N 3.09Å
96	F	94.3	Very high	91.4	Very high	12 Å²	12	66.6 Å²	66.6	5%	0.053	33%	0.334	C	S	.	.	H	α-helix	trans	-61.2	-48	170.6	168.7	-99	0	0	0	111.8	R92 F93 T94 R98 G99 I101 I103 V105 F109 I113 I177	R92-F96 PolarHBondContact O-N 3.45Å; F93-F96 PolarHBondContact O-N 3.12Å; T94-F96 VanDerWaalsContact C-N 3.35Å; T94-F96 PolarHBondContact O-N 3.16Å; F96-R98 PolarHBondContact O-N 2.92Å; F96-G99 PolarHBondContact O-N 2.74Å; F96-I101 HydrophobicContact CB-CB 4.2Å; F96-I101 HydrophobicContact CB-CD1 4.25Å; F96-I103 HydrophobicContact CD2-CD1 4.03Å; F96-I103 HydrophobicContact CE2-CB 4.36Å; F96-I103 HydrophobicContact CE2-CD1 4.11Å; F96-V105 HydrophobicContact CE2-CG1 4.15Å; F96-V105 HydrophobicContact CE2-CG2 4.37Å; F96-V105 HydrophobicContact CZ-CG1 4.18Å; F96-V105 HydrophobicContact CZ-CG2 4.1Å; F96-F109 HydrophobicContact CE1-CE1 4.39Å; F96-F109 HydrophobicContact CE2-CE1 4.48Å; F96-F109 HydrophobicContact CZ-CD1 4.09Å; F96-F109 AromaticContact CZ-CE1 3.84Å; F96-F109 HydrophobicContact CZ-CE1 3.84Å; F96-I113 HydrophobicContact CD1-CB 4.3Å; F96-I113 HydrophobicContact CD1-CG2 3.6Å; F96-I113 HydrophobicContact CE1-CB 3.84Å; F96-I113 HydrophobicContact CE1-CG1 3.92Å; F96-I113 HydrophobicContact CE1-CG2 3.66Å; F96-I177 HydrophobicContact CB-CD1 4.36Å; F96-I177 HydrophobicContact CB-CG1 4.38Å; F96-I177 HydrophobicContact CB-CG2 4.12Å; F96-I177 HydrophobicContact CD1-CD1 3.82Å; F96-I177 HydrophobicContact CD2-CD1 3.72Å; F96-I177 HydrophobicContact CD2-CG1 4.01Å; F96-I177 HydrophobicContact CE1-CD1 3.99Å; F96-I177 HydrophobicContact CE2-CD1 3.9Å; F96-I177 HydrophobicContact CG-CD1 3.67Å; F96-I177 HydrophobicContact CG-CG1 4.09Å; F96-I177 HydrophobicContact CZ-CD1 4.02Å
97	L	93.7	Very high	91.2	Very high	58 Å²	58	73.7 Å²	73.7	30%	0.304	37%	0.367	S	S	.	.	H	α-helix	trans	-64.9	-25.9	-180	-70.4	171.4	0	0	0	113.5	F93 T94 G99 T110 I113 K114 Y117	F93-L97 VanDerWaalsContact O-CG 3.29Å; F93-L97 WeakPolarHBondContact O-CG 3.4Å; F93-L97 PolarHBondContact O-N 2.73Å; T94-L97 PolarHBondContact O-N 3.1Å; L97-G99 VanDerWaalsContact C-N 3.35Å; L97-T110 HydrophobicContact CD2-CG2 4.5Å; L97-I113 HydrophobicContact CD2-CG2 4.08Å; L97-I113 HydrophobicContact CG-CG2 4.32Å; L97-K114 HydrophobicContact CD2-CB 3.99Å; L97-Y117 HydrophobicContact CD1-CD1 4.2Å; L97-Y117 HydrophobicContact CD1-CG 4.04Å
98	R	93.1	Very high	90.9	Very high	188 Å²	188	72.3 Å²	72.3	71%	0.709	37%	0.365	S	S	*	.	H	α-helix	trans	-80.7	-13.7	172.7	-71.4	176.9	-175.8	174.9	3.4	113.7	T94 S95 F96	T94-R98 WeakPolarHBondContact O-CG 3.22Å; T94-R98 PolarHBondContact O-N 3.04Å; S95-R98 PolarHBondContact O-N 2.7Å; F96-R98 PolarHBondContact O-N 2.92Å
99	G	89.1	Confident	90.8	Very high	44 Å²	44	66.9 Å²	66.9	45%	0.454	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	8.1	-176.3	0	0	0	0	0	114.9	S95 F96 L97 I101	S95-G99 PolarHBondContact O-N 3.45Å; F96-G99 PolarHBondContact O-N 2.74Å; L97-G99 VanDerWaalsContact C-N 3.35Å; G99-I101 VanDerWaalsContact C-N 3.32Å
100	D	89.1	Confident	90.8	Very high	109 Å²	109	68.9 Å²	68.9	58%	0.583	36%	0.357	S	S	*	.			trans	-69.1	-33.2	176.9	-56.3	-35.5	0	0	0	111.3	S95	S95-D100 WeakPolarHBondContact O-CB 3.28Å; S95-D100 PolarHBondContact O-N 2.9Å; S95-D100 PolarHBondContact OG-OD2 3.16Å
101	I	87.6	Confident	90.6	Very high	30 Å²	30	69.5 Å²	69.5	15%	0.154	36%	0.364	C	S	.	.	S	Bend	trans	-96.6	102.5	174.5	-53.5	-179.7	0	0	0	108.6	R92 S95 F96 G99 I103 F176	R92-I101 WeakPolarHBondContact O-CD1 3.02Å; S95-I101 PolarHBondContact O-N 3.09Å; F96-I101 HydrophobicContact CB-CB 4.2Å; F96-I101 HydrophobicContact CB-CD1 4.25Å; G99-I101 VanDerWaalsContact C-N 3.32Å; I101-I103 HydrophobicContact CG2-CD1 4.02Å; I101-I103 HydrophobicContact CG2-CG1 4Å; I101-I103 PolarHBondContact O-N 3.27Å; I101-F176 HydrophobicContact CG2-CD1 4.39Å; I101-F176 HydrophobicContact CG2-CE1 3.88Å
102	Q	84.2	Confident	90.5	Very high	182 Å²	182	63.4 Å²	63.4	85%	0.85	34%	0.336	S	S	*	.			trans	-81.6	99.2	-176.6	-63.9	-173.2	0.4	0	0	111.9
103	I	86.5	Confident	90.7	Very high	38 Å²	38	60.8 Å²	60.8	20%	0.195	33%	0.326	C	S	.	.			trans	-121.4	135	172.6	-51.6	169	0	0	0	108	F96 I101 V105 K173 F176 I177	F96-I103 HydrophobicContact CD2-CD1 4.03Å; F96-I103 HydrophobicContact CE2-CB 4.36Å; F96-I103 HydrophobicContact CE2-CD1 4.11Å; I101-I103 HydrophobicContact CG2-CD1 4.02Å; I101-I103 HydrophobicContact CG2-CG1 4Å; I101-I103 PolarHBondContact O-N 3.27Å; I103-V105 HydrophobicContact CB-CG1 3.97Å; I103-V105 HydrophobicContact CG2-CG1 3.73Å; I103-V105 PolarHBondContact O-N 2.99Å; I103-V105 VanDerWaalsContact O-N 3.08Å; I103-K173 HydrophobicContact CG2-CG 4.23Å; I103-F176 HydrophobicContact CD1-CD1 3.33Å; I103-F176 HydrophobicContact CD1-CE1 3.85Å; I103-F176 HydrophobicContact CD1-CG 4.28Å; I103-F176 HydrophobicContact CG1-CD1 3.7Å; I103-F176 HydrophobicContact CG1-CE1 3.72Å; I103-I177 HydrophobicContact CD1-CD1 4.09Å; I103-I177 HydrophobicContact CD1-CG1 3.44Å; I103-I177 VanDerWaalsContact CD1-CG1 3.44Å
104	V	85.4	Confident	90.6	Very high	138 Å²	138	65.5 Å²	65.5	84%	0.836	35%	0.347	S	S	*	.			trans	-70	106.9	172.9	-177	0	0	0	0	109.1	K173	V104-K173 VanDerWaalsContact O-CE 3.3Å; V104-K173 WeakPolarHBondContact O-CE 3.33Å; V104-K173 PolarHBondContact O-NZ 3.3Å
105	V	87.9	Confident	90.5	Very high	43 Å²	43	66.3 Å²	66.3	26%	0.261	35%	0.353	S	S	.	.			trans	-130.6	150.3	-176.1	-61.1	0	0	0	0	111	F96 I103 F109 T110 K173	F96-V105 HydrophobicContact CE2-CG1 4.15Å; F96-V105 HydrophobicContact CE2-CG2 4.37Å; F96-V105 HydrophobicContact CZ-CG1 4.18Å; F96-V105 HydrophobicContact CZ-CG2 4.1Å; I103-V105 HydrophobicContact CB-CG1 3.97Å; I103-V105 HydrophobicContact CG2-CG1 3.73Å; I103-V105 PolarHBondContact O-N 2.99Å; I103-V105 VanDerWaalsContact O-N 3.08Å; V105-F109 HydrophobicContact CB-CB 4.42Å; V105-F109 HydrophobicContact CB-CD1 3.68Å; V105-F109 HydrophobicContact CB-CE1 4.43Å; V105-F109 HydrophobicContact CB-CG 4.41Å; V105-F109 HydrophobicContact CG1-CD1 3.44Å; V105-F109 VanDerWaalsContact CG1-CD1 3.44Å; V105-F109 HydrophobicContact CG1-CE1 3.71Å; V105-F109 HydrophobicContact CG1-CG 4.42Å; V105-F109 HydrophobicContact CG2-CD1 4.41Å; V105-T110 WeakPolarHBondContact CG2-OG1 3.24Å; V105-K173 HydrophobicContact CG1-CD 4.15Å
106	D	86.8	Confident	90.6	Very high	66 Å²	66	64.5 Å²	64.5	35%	0.353	34%	0.341	S	S	.	.			trans	-81	158.7	167.9	56.4	72	0	0	0	110.2	A108 F109 T110 W170 K173	D106-A108 PolarHBondContact O-N 3.2Å; D106-A108 WeakPolarHBondContact OD1-CB 3.39Å; D106-A108 PolarHBondContact OD1-N 3Å; D106-F109 PolarHBondContact O-N 3.28Å; D106-F109 WeakPolarHBondContact OD1-CB 3.43Å; D106-F109 PolarHBondContact OD1-N 3.48Å; D106-T110 PolarHBondContact O-N 2.85Å; D106-T110 PolarHBondContact O-OG1 2.88Å; D106-W170 WeakPolarHBondContact OD1-CZ2 3.46Å; D106-W170 PolarHBondContact OD2-NE1 3.27Å; D106-K173 IonicContact OD2-NZ 3.8Å
107	E	89.3	Confident	90.7	Very high	153 Å²	153	66.5 Å²	66.5	72%	0.715	35%	0.348	S	S	*	.	H	α-helix	trans	-61.1	-33.5	-179.4	-170.3	-175	165.2	0	0	112.2	F109 T110 N111	E107-F109 VanDerWaalsContact C-N 3.34Å; E107-F109 PolarHBondContact O-N 2.84Å; E107-T110 PolarHBondContact O-N 2.91Å; E107-N111 WeakPolarHBondContact O-CB 2.66Å; E107-N111 PolarHBondContact O-N 3.49Å; E107-N111 PolarHBondContact O-ND2 2.91Å
108	A	88.5	Confident	90.7	Very high	35 Å²	35	68.9 Å²	68.9	29%	0.289	36%	0.358	S	S	.	.	H	α-helix	trans	-63.4	-40.6	178.7	0	0	0	0	0	111.7	D106 N111 A112 R151 W170	D106-A108 PolarHBondContact O-N 3.2Å; D106-A108 WeakPolarHBondContact OD1-CB 3.39Å; D106-A108 PolarHBondContact OD1-N 3Å; A108-N111 PolarHBondContact O-N 2.68Å; A108-A112 PolarHBondContact O-N 3.11Å; A108-R151 PolarHBondContact O-NH1 3.25Å; A108-W170 HydrophobicContact CB-CH2 3.96Å; A108-W170 HydrophobicContact CB-CZ2 3.85Å
109	F	91.6	Very high	90.6	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-64.6	-45.7	174	-179.3	-99.5	0	0	0	111.4	F96 V105 D106 E107 N111 A112 I113 F144 W170 K173 I177	F96-F109 HydrophobicContact CE1-CE1 4.39Å; F96-F109 HydrophobicContact CE2-CE1 4.48Å; F96-F109 HydrophobicContact CZ-CD1 4.09Å; F96-F109 AromaticContact CZ-CE1 3.84Å; F96-F109 HydrophobicContact CZ-CE1 3.84Å; V105-F109 HydrophobicContact CB-CB 4.42Å; V105-F109 HydrophobicContact CB-CD1 3.68Å; V105-F109 HydrophobicContact CB-CE1 4.43Å; V105-F109 HydrophobicContact CB-CG 4.41Å; V105-F109 HydrophobicContact CG1-CD1 3.44Å; V105-F109 VanDerWaalsContact CG1-CD1 3.44Å; V105-F109 HydrophobicContact CG1-CE1 3.71Å; V105-F109 HydrophobicContact CG1-CG 4.42Å; V105-F109 HydrophobicContact CG2-CD1 4.41Å; D106-F109 PolarHBondContact O-N 3.28Å; D106-F109 WeakPolarHBondContact OD1-CB 3.43Å; D106-F109 PolarHBondContact OD1-N 3.48Å; E107-F109 VanDerWaalsContact C-N 3.34Å; E107-F109 PolarHBondContact O-N 2.84Å; F109-N111 VanDerWaalsContact C-N 3.28Å; F109-N111 PolarHBondContact O-N 3.13Å; F109-A112 WeakPolarHBondContact O-CA 3.29Å; F109-A112 WeakPolarHBondContact O-CB 3.1Å; F109-A112 PolarHBondContact O-N 3.33Å; F109-I113 HydrophobicContact CD1-CG1 4.09Å; F109-I113 HydrophobicContact CE1-CD1 4.18Å; F109-I113 HydrophobicContact CE1-CG1 3.63Å; F109-I113 HydrophobicContact CE2-CD1 4.19Å; F109-I113 HydrophobicContact CE2-CG1 4.18Å; F109-I113 HydrophobicContact CZ-CD1 3.74Å; F109-I113 HydrophobicContact CZ-CG1 3.69Å; F109-I113 WeakPolarHBondContact O-CG1 3.45Å; F109-I113 PolarHBondContact O-N 2.98Å; F109-F144 HydrophobicContact CE2-CE1 4.45Å; F109-F144 HydrophobicContact CE2-CZ 4.02Å; F109-W170 HydrophobicContact CB-CD2 4.28Å; F109-W170 HydrophobicContact CB-CZ2 3.9Å; F109-W170 HydrophobicContact CD2-CB 3.86Å; F109-W170 AromaticContact CD2-CD1 3.79Å; F109-W170 AromaticContact CD2-CD2 3.59Å; F109-W170 HydrophobicContact CD2-CD2 3.59Å; F109-W170 AromaticContact CD2-CE2 3.94Å; F109-W170 HydrophobicContact CD2-CE3 4.06Å; F109-W170 AromaticContact CD2-CG 3.49Å; F109-W170 HydrophobicContact CD2-CG 3.49Å; F109-W170 VanDerWaalsContact CD2-CG 3.49Å; F109-W170 HydrophobicContact CE2-CB 3.92Å; F109-W170 HydrophobicContact CE2-CD2 4.47Å; F109-W170 HydrophobicContact CE2-CG 4.08Å; F109-W170 WeakPolarHBondContact CE2-O 3.36Å; F109-W170 HydrophobicContact CG-CD2 4.42Å; F109-W170 HydrophobicContact CG-CG 4.46Å; F109-K173 HydrophobicContact CE1-CB 3.97Å; F109-K173 HydrophobicContact CE1-CD 4.47Å; F109-K173 HydrophobicContact CE2-CB 3.93Å; F109-K173 HydrophobicContact CE2-CD 4.49Å; F109-K173 HydrophobicContact CZ-CB 3.46Å; F109-K173 VanDerWaalsContact CZ-CB 3.46Å; F109-K173 HydrophobicContact CZ-CD 4.43Å; F109-I177 HydrophobicContact CE1-CD1 4Å; F109-I177 HydrophobicContact CZ-CD1 4.11Å
110	T	92.6	Very high	90.9	Very high	48 Å²	48	61.5 Å²	61.5	29%	0.294	32%	0.324	S	S	.	.	H	α-helix	trans	-57.4	-43.8	176.4	-56.4	0	0	0	0	111.3	L97 V105 D106 E107 A112 I113 K114	L97-T110 HydrophobicContact CD2-CG2 4.5Å; V105-T110 WeakPolarHBondContact CG2-OG1 3.24Å; D106-T110 PolarHBondContact O-N 2.85Å; D106-T110 PolarHBondContact O-OG1 2.88Å; E107-T110 PolarHBondContact O-N 2.91Å; T110-A112 VanDerWaalsContact C-N 3.31Å; T110-A112 PolarHBondContact O-N 3.24Å; T110-I113 PolarHBondContact O-N 3.48Å; T110-K114 WeakPolarHBondContact O-CB 3.36Å; T110-K114 PolarHBondContact O-N 3.28Å
111	N	92	Very high	91.2	Very high	67 Å²	67	56.3 Å²	56.3	36%	0.358	30%	0.297	S	S	.	.	H	α-helix	trans	-64	-34	174.8	-74.4	-28.7	0	0	0	112.7	E107 A108 F109 S115	E107-N111 WeakPolarHBondContact O-CB 2.66Å; E107-N111 PolarHBondContact O-N 3.49Å; E107-N111 PolarHBondContact O-ND2 2.91Å; A108-N111 PolarHBondContact O-N 2.68Å; F109-N111 VanDerWaalsContact C-N 3.28Å; F109-N111 PolarHBondContact O-N 3.13Å; N111-S115 WeakPolarHBondContact O-CB 3.17Å; N111-S115 PolarHBondContact O-N 3Å
112	A	92.3	Very high	91.6	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.008	31%	0.306	C	S	.	.	H	α-helix	trans	-68.3	-42.1	176.3	0	0	0	0	0	111.1	A108 F109 T110 Y116 F144 I148 R151 W170	A108-A112 PolarHBondContact O-N 3.11Å; F109-A112 WeakPolarHBondContact O-CA 3.29Å; F109-A112 WeakPolarHBondContact O-CB 3.1Å; F109-A112 PolarHBondContact O-N 3.33Å; T110-A112 VanDerWaalsContact C-N 3.31Å; T110-A112 PolarHBondContact O-N 3.24Å; A112-Y116 VanDerWaalsContact O-CB 3.31Å; A112-Y116 WeakPolarHBondContact O-CB 3.23Å; A112-Y116 PolarHBondContact O-N 3.34Å; A112-F144 HydrophobicContact CB-CE2 4.5Å; A112-I148 HydrophobicContact CB-CG2 4.18Å; A112-R151 VanDerWaalsContact CA-NH1 3.32Å; A112-W170 HydrophobicContact CB-CE3 4.44Å; A112-W170 HydrophobicContact CB-CH2 4.37Å; A112-W170 HydrophobicContact CB-CZ3 3.81Å
113	I	95.4	Very high	92	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-66.9	-41.5	176.8	-65.3	-67.8	0	0	0	111.4	F93 F96 L97 F109 T110 Y116 Y117 F144 F174 I177	F93-I113 HydrophobicContact CD1-CG2 3.77Å; F93-I113 HydrophobicContact CE1-CD1 3.96Å; F93-I113 HydrophobicContact CE1-CG2 4.22Å; F96-I113 HydrophobicContact CD1-CB 4.3Å; F96-I113 HydrophobicContact CD1-CG2 3.6Å; F96-I113 HydrophobicContact CE1-CB 3.84Å; F96-I113 HydrophobicContact CE1-CG1 3.92Å; F96-I113 HydrophobicContact CE1-CG2 3.66Å; L97-I113 HydrophobicContact CD2-CG2 4.08Å; L97-I113 HydrophobicContact CG-CG2 4.32Å; F109-I113 HydrophobicContact CD1-CG1 4.09Å; F109-I113 HydrophobicContact CE1-CD1 4.18Å; F109-I113 HydrophobicContact CE1-CG1 3.63Å; F109-I113 HydrophobicContact CE2-CD1 4.19Å; F109-I113 HydrophobicContact CE2-CG1 4.18Å; F109-I113 HydrophobicContact CZ-CD1 3.74Å; F109-I113 HydrophobicContact CZ-CG1 3.69Å; F109-I113 WeakPolarHBondContact O-CG1 3.45Å; F109-I113 PolarHBondContact O-N 2.98Å; T110-I113 PolarHBondContact O-N 3.48Å; I113-Y116 PolarHBondContact O-N 3.38Å; I113-Y117 WeakPolarHBondContact O-CB 3.47Å; I113-Y117 PolarHBondContact O-N 3.37Å; I113-F144 HydrophobicContact CD1-CE2 3.69Å; I113-F144 HydrophobicContact CD1-CZ 3.7Å; I113-F174 HydrophobicContact CD1-CD2 4.29Å; I113-I177 HydrophobicContact CD1-CD1 4.06Å; I113-I177 HydrophobicContact CG1-CD1 4.3Å
114	K	95.2	Very high	92.3	Very high	99 Å²	99	53.9 Å²	53.9	43%	0.43	30%	0.295	S	S	.	.	H	α-helix	trans	-59.3	-49.9	175.8	-175.3	177.2	176	-177.5	0	111.2	L97 T110 Y116 Y117 E118	L97-K114 HydrophobicContact CD2-CB 3.99Å; T110-K114 WeakPolarHBondContact O-CB 3.36Å; T110-K114 PolarHBondContact O-N 3.28Å; K114-Y116 PolarHBondContact O-N 2.83Å; K114-Y117 WeakPolarHBondContact O-CB 3.47Å; K114-Y117 PolarHBondContact O-N 3.49Å; K114-E118 WeakPolarHBondContact CE-OE1 3.14Å; K114-E118 WeakPolarHBondContact CG-OE1 3.2Å; K114-E118 WeakPolarHBondContact O-CG 3.33Å; K114-E118 PolarHBondContact O-N 2.86Å
115	S	91.6	Very high	92.7	Very high	44 Å²	44	48.6 Å²	48.6	31%	0.308	26%	0.26	S	S	.	.	H	α-helix	trans	-64.7	-39.1	177.8	176	0	0	0	0	112.1	N111 Y117 E118 V119 M147	N111-S115 WeakPolarHBondContact O-CB 3.17Å; N111-S115 PolarHBondContact O-N 3Å; S115-Y117 VanDerWaalsContact C-N 3.32Å; S115-Y117 PolarHBondContact O-N 3.49Å; S115-E118 PolarHBondContact O-N 3.13Å; S115-V119 VanDerWaalsContact O-CB 3.25Å; S115-V119 WeakPolarHBondContact O-CB 3.25Å; S115-V119 WeakPolarHBondContact O-CG2 3.22Å; S115-V119 PolarHBondContact O-N 2.89Å; S115-M147 WeakPolarHBondContact OG-CE 3.37Å
116	Y	95.4	Very high	93.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.248	C	C	.	.	I	π-helix	trans	-62.4	-40.3	174.2	176.5	-102.9	0	0	0	111.8	F93 A112 I113 K114 F120 L121 F140 V143 F144 M147 F174	F93-Y116 HydrophobicContact CD1-CD1 4.1Å; F93-Y116 HydrophobicContact CD1-CE1 4.36Å; F93-Y116 AromaticContact CE1-CD1 3.65Å; F93-Y116 HydrophobicContact CE1-CD1 3.65Å; F93-Y116 AromaticContact CE1-CE1 3.71Å; F93-Y116 HydrophobicContact CE1-CE1 3.71Å; F93-Y116 HydrophobicContact CZ-CD1 4.37Å; F93-Y116 AromaticContact CZ-CE1 3.96Å; F93-Y116 HydrophobicContact CZ-CE1 3.96Å; A112-Y116 VanDerWaalsContact O-CB 3.31Å; A112-Y116 WeakPolarHBondContact O-CB 3.23Å; A112-Y116 PolarHBondContact O-N 3.34Å; I113-Y116 PolarHBondContact O-N 3.38Å; K114-Y116 PolarHBondContact O-N 2.83Å; Y116-F120 HydrophobicContact CD2-CB 3.98Å; Y116-F120 HydrophobicContact CD2-CD1 4.06Å; Y116-F120 HydrophobicContact CD2-CG 4.27Å; Y116-F120 HydrophobicContact CE1-CD1 4.15Å; Y116-F120 HydrophobicContact CE2-CB 4.05Å; Y116-F120 AromaticContact CE2-CD1 3.29Å; Y116-F120 HydrophobicContact CE2-CD1 3.29Å; Y116-F120 AromaticContact CE2-CE1 3.9Å; Y116-F120 HydrophobicContact CE2-CE1 3.9Å; Y116-F120 AromaticContact CE2-CG 3.82Å; Y116-F120 HydrophobicContact CE2-CG 3.82Å; Y116-F120 AromaticContact CZ-CD1 3.36Å; Y116-F120 AromaticContact CZ-CE1 3.74Å; Y116-F120 WeakPolarHBondContact O-CA 3.42Å; Y116-F120 VanDerWaalsContact O-CB 3.27Å; Y116-F120 WeakPolarHBondContact O-CB 3.48Å; Y116-F120 PolarHBondContact O-N 3.48Å; Y116-F120 WeakPolarHBondContact OH-CD1 3.44Å; Y116-F120 VanDerWaalsContact OH-CE1 3.29Å; Y116-F120 WeakPolarHBondContact OH-CE1 3.49Å; Y116-L121 HydrophobicContact CD1-CD1 3.91Å; Y116-L121 HydrophobicContact CD1-CG 3.95Å; Y116-L121 HydrophobicContact CE1-CD1 3.69Å; Y116-L121 HydrophobicContact CE1-CD2 3.79Å; Y116-L121 HydrophobicContact CE1-CG 3.58Å; Y116-L121 PolarHBondContact O-N 3.33Å; Y116-F140 PolarHBondContact OH-O 2.95Å; Y116-V143 HydrophobicContact CE2-CG1 4.29Å; Y116-F144 HydrophobicContact CD1-CD2 4.23Å; Y116-F144 HydrophobicContact CD2-CB 3.97Å; Y116-F144 AromaticContact CD2-CD2 3.72Å; Y116-F144 HydrophobicContact CD2-CD2 3.72Å; Y116-F144 HydrophobicContact CD2-CG 4.35Å; Y116-F144 HydrophobicContact CE2-CB 3.65Å; Y116-F144 HydrophobicContact CE2-CD2 4.24Å; Y116-F144 HydrophobicContact CE2-CG 4.43Å; Y116-F144 AromaticContact CG-CD2 3.7Å; Y116-F144 HydrophobicContact CG-CD2 3.7Å; Y116-F144 HydrophobicContact CG-CE2 4.41Å; Y116-M147 HydrophobicContact CD2-SD 4.2Å; Y116-F174 HydrophobicContact CD1-CE2 4.33Å; Y116-F174 AromaticContact CE1-CE2 3.74Å; Y116-F174 HydrophobicContact CE1-CE2 3.74Å; Y116-F174 HydrophobicContact CE1-CZ 4.38Å; Y116-F174 AromaticContact CZ-CE2 3.91Å
117	Y	96.4	Very high	93.5	Very high	54 Å²	54	44.9 Å²	44.9	21%	0.212	24%	0.243	C	C	.	.	I	π-helix	trans	-64.5	-49.7	177.1	176.8	-94.2	0	0	0	112	R90 F93 T94 L97 I113 K114 S115 L121 C122	R90-Y117 HydrophobicContact CB-CE2 4.32Å; R90-Y117 WeakPolarHBondContact O-CE2 3.49Å; F93-Y117 HydrophobicContact CB-CD2 3.83Å; F93-Y117 HydrophobicContact CB-CE2 4.44Å; T94-Y117 VanDerWaalsContact OG1-CE2 3.27Å; T94-Y117 WeakPolarHBondContact OG1-CE2 3.35Å; T94-Y117 PolarHBondContact OG1-OH 3.43Å; L97-Y117 HydrophobicContact CD1-CD1 4.2Å; L97-Y117 HydrophobicContact CD1-CG 4.04Å; I113-Y117 WeakPolarHBondContact O-CB 3.47Å; I113-Y117 PolarHBondContact O-N 3.37Å; K114-Y117 WeakPolarHBondContact O-CB 3.47Å; K114-Y117 PolarHBondContact O-N 3.49Å; S115-Y117 VanDerWaalsContact C-N 3.32Å; S115-Y117 PolarHBondContact O-N 3.49Å; Y117-L121 HydrophobicContact CD2-CB 4.29Å; Y117-L121 HydrophobicContact CD2-CD1 3.95Å; Y117-L121 PolarHBondContact O-N 3.27Å; Y117-C122 VanDerWaalsContact CE1-SG 3.5Å; Y117-C122 PolarHBondContact O-N 3.38Å; Y117-C122 PolarHBondContact O-SG 3.13Å
118	E	93.6	Very high	93.7	Very high	108 Å²	108	41.9 Å²	41.9	51%	0.505	24%	0.235	S	C	.	.	I	π-helix	trans	-69.6	-47.5	-176.7	-70	170.1	175.6	0	0	111.9	K114 S115	K114-E118 WeakPolarHBondContact CE-OE1 3.14Å; K114-E118 WeakPolarHBondContact CG-OE1 3.2Å; K114-E118 WeakPolarHBondContact O-CG 3.33Å; K114-E118 PolarHBondContact O-N 2.86Å; S115-E118 PolarHBondContact O-N 3.13Å
119	V	91.3	Very high	94	Very high	74 Å²	74	40.3 Å²	40.3	45%	0.448	22%	0.223	S	C	.	.	I	π-helix	trans	-81.9	-43	-173.2	179.6	0	0	0	0	112	S115 S123 F751	S115-V119 VanDerWaalsContact O-CB 3.25Å; S115-V119 WeakPolarHBondContact O-CB 3.25Å; S115-V119 WeakPolarHBondContact O-CG2 3.22Å; S115-V119 PolarHBondContact O-N 2.89Å; V119-S123 WeakPolarHBondContact O-CB 3.31Å; V119-F751 HydrophobicContact CG1-CE1 4.09Å; V119-F751 HydrophobicContact CG1-CZ 4.49Å; V119-F751 WeakPolarHBondContact O-CZ 2.97Å
120	F	95.3	Very high	94.1	Very high	3 Å²	3	40.7 Å²	40.7	1%	0.013	23%	0.225	C	C	.	.	I	π-helix	trans	-99.3	-60.9	-174.4	177	-101.5	0	0	0	112.3	Y116 C122 S123 V126 F135 F140 V143 F751	Y116-F120 HydrophobicContact CD2-CB 3.98Å; Y116-F120 HydrophobicContact CD2-CD1 4.06Å; Y116-F120 HydrophobicContact CD2-CG 4.27Å; Y116-F120 HydrophobicContact CE1-CD1 4.15Å; Y116-F120 HydrophobicContact CE2-CB 4.05Å; Y116-F120 AromaticContact CE2-CD1 3.29Å; Y116-F120 HydrophobicContact CE2-CD1 3.29Å; Y116-F120 AromaticContact CE2-CE1 3.9Å; Y116-F120 HydrophobicContact CE2-CE1 3.9Å; Y116-F120 AromaticContact CE2-CG 3.82Å; Y116-F120 HydrophobicContact CE2-CG 3.82Å; Y116-F120 AromaticContact CZ-CD1 3.36Å; Y116-F120 AromaticContact CZ-CE1 3.74Å; Y116-F120 WeakPolarHBondContact O-CA 3.42Å; Y116-F120 VanDerWaalsContact O-CB 3.27Å; Y116-F120 WeakPolarHBondContact O-CB 3.48Å; Y116-F120 PolarHBondContact O-N 3.48Å; Y116-F120 WeakPolarHBondContact OH-CD1 3.44Å; Y116-F120 VanDerWaalsContact OH-CE1 3.29Å; Y116-F120 WeakPolarHBondContact OH-CE1 3.49Å; F120-C122 VanDerWaalsContact C-N 3.31Å; F120-C122 PolarHBondContact O-N 2.97Å; F120-S123 WeakPolarHBondContact O-CB 3.38Å; F120-S123 PolarHBondContact O-N 3.01Å; F120-S123 VanDerWaalsContact O-N 3.08Å; F120-V126 HydrophobicContact CD2-CG2 3.69Å; F120-V126 HydrophobicContact CE2-CG1 4.48Å; F120-V126 HydrophobicContact CE2-CG2 3.54Å; F120-V126 HydrophobicContact CG-CG2 4.35Å; F120-V126 HydrophobicContact CZ-CG1 4.22Å; F120-V126 HydrophobicContact CZ-CG2 4.1Å; F120-V126 WeakPolarHBondContact O-CG2 3.44Å; F120-F135 AromaticContact CE2-CE2 3.9Å; F120-F135 HydrophobicContact CE2-CE2 3.9Å; F120-F135 HydrophobicContact CZ-CD2 4.34Å; F120-F135 AromaticContact CZ-CE2 3.88Å; F120-F135 HydrophobicContact CZ-CE2 3.88Å; F120-F140 HydrophobicContact CE1-CB 4.44Å; F120-F140 AromaticContact CE1-CD1 3.64Å; F120-F140 HydrophobicContact CE1-CD1 3.64Å; F120-F140 AromaticContact CE1-CE1 3.94Å; F120-F140 HydrophobicContact CE1-CE1 3.94Å; F120-F140 AromaticContact CE1-CG 3.99Å; F120-F140 HydrophobicContact CE1-CG 3.99Å; F120-F140 HydrophobicContact CZ-CD1 4.29Å; F120-F140 HydrophobicContact CZ-CE1 4.49Å; F120-F140 HydrophobicContact CZ-CG 4.28Å; F120-V143 HydrophobicContact CD2-CB 4.32Å; F120-V143 HydrophobicContact CD2-CG1 3.55Å; F120-V143 HydrophobicContact CD2-CG2 4.49Å; F120-V143 HydrophobicContact CE2-CB 3.99Å; F120-V143 HydrophobicContact CE2-CG1 3.71Å; F120-V143 HydrophobicContact CE2-CG2 3.83Å; F120-V143 HydrophobicContact CG-CG1 3.97Å; F120-V143 HydrophobicContact CZ-CB 4.16Å; F120-V143 HydrophobicContact CZ-CG1 4.27Å; F120-V143 HydrophobicContact CZ-CG2 4.16Å; F120-F751 HydrophobicContact CB-CE1 4.49Å; F120-F751 HydrophobicContact CB-CZ 4.37Å; F120-F751 HydrophobicContact CD2-CB 4.46Å; F120-F751 HydrophobicContact CD2-CD1 4.09Å; F120-F751 AromaticContact CD2-CD2 3.43Å; F120-F751 HydrophobicContact CD2-CD2 3.43Å; F120-F751 VanDerWaalsContact CD2-CD2 3.43Å; F120-F751 HydrophobicContact CD2-CE1 4.21Å; F120-F751 AromaticContact CD2-CE2 3.6Å; F120-F751 HydrophobicContact CD2-CE2 3.6Å; F120-F751 AromaticContact CD2-CG 3.71Å; F120-F751 HydrophobicContact CD2-CG 3.71Å; F120-F751 AromaticContact CD2-CZ 3.98Å; F120-F751 HydrophobicContact CD2-CZ 3.98Å; F120-F751 HydrophobicContact CE2-CB 4.43Å; F120-F751 AromaticContact CE2-CD2 3.69Å; F120-F751 HydrophobicContact CE2-CD2 3.69Å; F120-F751 HydrophobicContact CE2-CE2 4.2Å; F120-F751 HydrophobicContact CE2-CG 4.06Å
121	L	96.1	Very high	94.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.242	C	C	.	.	I	π-helix	trans	-64.6	-35.5	-171.9	-65.6	177.9	0	0	0	112.5	I89 R90 F93 Y116 Y117 S123 F140	I89-L121 HydrophobicContact CG2-CD1 4.26Å; I89-L121 HydrophobicContact CG2-CD2 3.96Å; R90-L121 HydrophobicContact CG-CB 4.26Å; R90-L121 PolarHBondContact NE-O 2.98Å; R90-L121 PolarHBondContact NH2-O 3.39Å; F93-L121 HydrophobicContact CB-CD1 3.9Å; F93-L121 HydrophobicContact CD1-CD1 3.72Å; F93-L121 HydrophobicContact CD2-CD1 3.9Å; F93-L121 HydrophobicContact CE1-CD1 4.24Å; F93-L121 HydrophobicContact CE2-CD1 4.37Å; F93-L121 HydrophobicContact CG-CD1 3.55Å; Y116-L121 HydrophobicContact CD1-CD1 3.91Å; Y116-L121 HydrophobicContact CD1-CG 3.95Å; Y116-L121 HydrophobicContact CE1-CD1 3.69Å; Y116-L121 HydrophobicContact CE1-CD2 3.79Å; Y116-L121 HydrophobicContact CE1-CG 3.58Å; Y116-L121 PolarHBondContact O-N 3.33Å; Y117-L121 HydrophobicContact CD2-CB 4.29Å; Y117-L121 HydrophobicContact CD2-CD1 3.95Å; Y117-L121 PolarHBondContact O-N 3.27Å; L121-S123 VanDerWaalsContact C-N 3.32Å; L121-F140 HydrophobicContact CD2-CD1 3.84Å; L121-F140 HydrophobicContact CD2-CE1 3.75Å
122	C	95.2	Very high	94.2	Very high	53 Å²	53	39.7 Å²	39.7	36%	0.358	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-5.4	178	-64.5	0	0	0	0	113.9	Y117 F120 D124	Y117-C122 VanDerWaalsContact CE1-SG 3.5Å; Y117-C122 PolarHBondContact O-N 3.38Å; Y117-C122 PolarHBondContact O-SG 3.13Å; F120-C122 VanDerWaalsContact C-N 3.31Å; F120-C122 PolarHBondContact O-N 2.97Å; C122-D124 PolarHBondContact O-N 3.43Å
123	S	93.7	Very high	94.2	Very high	16 Å²	16	40.4 Å²	40.4	11%	0.112	24%	0.238	C	C	.	.			trans	-65.1	129.3	-178.3	-172.5	0	0	0	0	112.6	V119 F120 L121 R125 V126 A127	V119-S123 WeakPolarHBondContact O-CB 3.31Å; F120-S123 WeakPolarHBondContact O-CB 3.38Å; F120-S123 PolarHBondContact O-N 3.01Å; F120-S123 VanDerWaalsContact O-N 3.08Å; L121-S123 VanDerWaalsContact C-N 3.32Å; S123-R125 PolarHBondContact O-N 3.27Å; S123-R125 PolarHBondContact OG-N 3.39Å; S123-V126 PolarHBondContact O-N 3.14Å; S123-V126 VanDerWaalsContact O-N 3.16Å; S123-A127 PolarHBondContact O-N 3.46Å; S123-A127 VanDerWaalsContact O-N 3.16Å
124	D	92.6	Very high	93.9	Very high	130 Å²	130	40.4 Å²	40.4	70%	0.695	24%	0.238	S	C	*	.	H	α-helix	trans	-60.2	-30.7	171.4	-73.3	-30.4	0	0	0	112	C122 V126 A127 T128	C122-D124 PolarHBondContact O-N 3.43Å; D124-V126 VanDerWaalsContact C-N 3.3Å; D124-V126 PolarHBondContact O-N 2.96Å; D124-A127 PolarHBondContact O-N 3.02Å; D124-T128 PolarHBondContact O-N 3.45Å; D124-T128 PolarHBondContact O-OG1 3.06Å; D124-T128 VanDerWaalsContact O-OG1 3.1Å
125	R	93.9	Very high	93.8	Very high	26 Å²	26	35.7 Å²	35.7	10%	0.098	22%	0.217	C	C	.	.	H	α-helix	trans	-64.6	-37.4	178.1	-60.7	-173.7	-86.7	150.7	-1.5	112	S123 A129 R746 H747 P750 E837	S123-R125 PolarHBondContact O-N 3.27Å; S123-R125 PolarHBondContact OG-N 3.39Å; R125-A129 WeakPolarHBondContact O-CB 3.34Å; R125-A129 PolarHBondContact O-N 3.46Å; R125-R746 VanDerWaalsContact CD-O 3.3Å; R125-R746 WeakPolarHBondContact CD-O 3.47Å; R125-R746 PolarHBondContact NH1-O 2.93Å; R125-H747 VanDerWaalsContact CG-CE1 3.45Å; R125-H747 WeakPolarHBondContact CG-CE1 3.32Å; R125-H747 WeakPolarHBondContact CG-ND1 3.3Å; R125-P750 HydrophobicContact CB-CB 3.78Å; R125-P750 HydrophobicContact CB-CG 4.48Å; R125-E837 IonicContact CZ-OE1 3.7Å; R125-E837 IonicContact CZ-OE2 3.73Å; R125-E837 IonicContact NH1-OE1 3.54Å; R125-E837 PolarHBondContact NH1-OE1 3.44Å; R125-E837 IonicContact NH1-OE2 2.68Å; R125-E837 IonicContact NH2-OE1 3.36Å; R125-E837 PolarHBondContact NH2-OE1 2.87Å; R125-E837 IonicContact NH2-OE2 3.55Å; R125-E837 PolarHBondContact NH2-OE2 2.88Å
126	V	95.5	Very high	93.8	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-70	-41.1	174.4	177.5	0	0	0	0	110.3	F120 S123 D124 T128 A129 V130 F135 F140 F751	F120-V126 HydrophobicContact CD2-CG2 3.69Å; F120-V126 HydrophobicContact CE2-CG1 4.48Å; F120-V126 HydrophobicContact CE2-CG2 3.54Å; F120-V126 HydrophobicContact CG-CG2 4.35Å; F120-V126 HydrophobicContact CZ-CG1 4.22Å; F120-V126 HydrophobicContact CZ-CG2 4.1Å; F120-V126 WeakPolarHBondContact O-CG2 3.44Å; S123-V126 PolarHBondContact O-N 3.14Å; S123-V126 VanDerWaalsContact O-N 3.16Å; D124-V126 VanDerWaalsContact C-N 3.3Å; D124-V126 PolarHBondContact O-N 2.96Å; V126-T128 VanDerWaalsContact C-N 3.33Å; V126-T128 PolarHBondContact O-N 3.23Å; V126-A129 PolarHBondContact O-N 2.73Å; V126-V130 HydrophobicContact CG1-CG2 4.31Å; V126-V130 WeakPolarHBondContact O-CB 3.49Å; V126-V130 WeakPolarHBondContact O-CG2 3.33Å; V126-V130 PolarHBondContact O-N 3.3Å; V126-F135 HydrophobicContact CB-CE2 4.49Å; V126-F135 HydrophobicContact CG1-CD2 4.09Å; V126-F135 HydrophobicContact CG1-CE2 4Å; V126-F135 HydrophobicContact CG2-CE2 4.14Å; V126-F140 HydrophobicContact CG1-CE1 4.47Å; V126-F140 HydrophobicContact CG1-CZ 3.97Å; V126-F751 HydrophobicContact CG2-CD2 3.89Å; V126-F751 HydrophobicContact CG2-CE2 3.55Å
127	A	95.4	Very high	93.3	Very high	31 Å²	31	36.2 Å²	36.2	26%	0.256	22%	0.221	S	C	.	.	H	α-helix	trans	-60.3	-43.3	176.1	0	0	0	0	0	111.9	L86 S123 D124 V130 A131	L86-A127 HydrophobicContact CD2-CB 4.31Å; S123-A127 PolarHBondContact O-N 3.46Å; S123-A127 VanDerWaalsContact O-N 3.16Å; D124-A127 PolarHBondContact O-N 3.02Å; A127-V130 PolarHBondContact O-N 2.81Å; A127-A131 WeakPolarHBondContact O-CB 3.32Å; A127-A131 PolarHBondContact O-N 3.44Å
128	T	94.1	Very high	92.9	Very high	90 Å²	90	36.1 Å²	36.1	55%	0.552	23%	0.226	S	C	*	.	H	α-helix	trans	-65	-45	174.5	-58	0	0	0	0	111.6	D124 V126 V130 A131 A132	D124-T128 PolarHBondContact O-N 3.45Å; D124-T128 PolarHBondContact O-OG1 3.06Å; D124-T128 VanDerWaalsContact O-OG1 3.1Å; V126-T128 VanDerWaalsContact C-N 3.33Å; V126-T128 PolarHBondContact O-N 3.23Å; T128-V130 VanDerWaalsContact C-N 3.32Å; T128-V130 PolarHBondContact O-N 2.95Å; T128-A131 PolarHBondContact O-N 3.48Å; T128-A132 VanDerWaalsContact O-CB 3.3Å; T128-A132 WeakPolarHBondContact O-CB 3.45Å; T128-A132 PolarHBondContact O-N 3.44Å
129	A	94.2	Very high	92.8	Very high	3 Å²	3	31.9 Å²	31.9	3%	0.025	21%	0.207	C	C	.	.	H	α-helix	trans	-63.4	-36.5	177.6	0	0	0	0	0	112.8	R125 V126 A132 G133 G134 F135 M691 P750	R125-A129 WeakPolarHBondContact O-CB 3.34Å; R125-A129 PolarHBondContact O-N 3.46Å; V126-A129 PolarHBondContact O-N 2.73Å; A129-A132 PolarHBondContact O-N 3.48Å; A129-G133 PolarHBondContact O-N 2.88Å; A129-G134 PolarHBondContact O-N 3.24Å; A129-F135 HydrophobicContact CB-CD1 3.84Å; A129-F135 HydrophobicContact CB-CE1 3.68Å; A129-F135 HydrophobicContact CB-CG 4.36Å; A129-F135 HydrophobicContact CB-CZ 4.07Å; A129-M691 HydrophobicContact CB-CE 3.81Å; A129-P750 HydrophobicContact CB-CG 3.83Å
130	V	94.7	Very high	92.9	Very high	7 Å²	7	28.4 Å²	28.4	4%	0.042	19%	0.186	C	C	.	.	H	α-helix	trans	-65.8	-44.4	172.7	159.9	0	0	0	0	111	V81 L86 V126 A127 T128 A132 G133 F135 F140	V81-V130 HydrophobicContact CB-CG2 4.45Å; V81-V130 HydrophobicContact CG1-CG2 4.32Å; V81-V130 WeakPolarHBondContact O-CG1 3.23Å; L86-V130 HydrophobicContact CB-CG1 4.34Å; L86-V130 HydrophobicContact CD2-CB 4.34Å; L86-V130 HydrophobicContact CD2-CG1 4.29Å; L86-V130 HydrophobicContact CD2-CG2 4.26Å; V126-V130 HydrophobicContact CG1-CG2 4.31Å; V126-V130 WeakPolarHBondContact O-CB 3.49Å; V126-V130 WeakPolarHBondContact O-CG2 3.33Å; V126-V130 PolarHBondContact O-N 3.3Å; A127-V130 PolarHBondContact O-N 2.81Å; T128-V130 VanDerWaalsContact C-N 3.32Å; T128-V130 PolarHBondContact O-N 2.95Å; V130-A132 VanDerWaalsContact C-N 3.27Å; V130-A132 PolarHBondContact O-N 2.84Å; V130-G133 PolarHBondContact O-N 3.45Å; V130-F135 HydrophobicContact CG2-CB 4.2Å; V130-F140 HydrophobicContact CG2-CE2 4.13Å; V130-F140 HydrophobicContact CG2-CZ 3.96Å
131	A	93.2	Very high	92.8	Very high	81 Å²	81	32.1 Å²	32.1	67%	0.669	20%	0.2	S	C	*	.	H	α-helix	trans	-62.7	-36.1	175.6	0	0	0	0	0	112.2	A127 T128 G133	A127-A131 WeakPolarHBondContact O-CB 3.32Å; A127-A131 PolarHBondContact O-N 3.44Å; T128-A131 PolarHBondContact O-N 3.48Å; A131-G133 PolarHBondContact O-N 3.35Å
132	A	93.1	Very high	92.6	Very high	14 Å²	14	33.9 Å²	33.9	12%	0.116	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-3.6	174.2	0	0	0	0	0	114.1	T128 A129 V130 G134 D689 M691	T128-A132 VanDerWaalsContact O-CB 3.3Å; T128-A132 WeakPolarHBondContact O-CB 3.45Å; T128-A132 PolarHBondContact O-N 3.44Å; A129-A132 PolarHBondContact O-N 3.48Å; V130-A132 VanDerWaalsContact C-N 3.27Å; V130-A132 PolarHBondContact O-N 2.84Å; A132-G134 VanDerWaalsContact C-N 3.31Å; A132-G134 PolarHBondContact O-N 2.57Å; A132-D689 WeakPolarHBondContact CA-O 3.49Å; A132-D689 WeakPolarHBondContact CB-O 3.44Å; A132-M691 HydrophobicContact CB-CB 4.12Å; A132-M691 PolarHBondContact O-N 2.94Å; A132-M691 VanDerWaalsContact O-N 3.08Å
133	G	91.4	Very high	92.5	Very high	15 Å²	15	31.4 Å²	31.4	16%	0.155	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	22.2	-177.8	0	0	0	0	0	114.4	A129 V130 A131 C647	A129-G133 PolarHBondContact O-N 2.88Å; V130-G133 PolarHBondContact O-N 3.45Å; A131-G133 PolarHBondContact O-N 3.35Å; G133-C647 PolarHBondContact O-SG 2.75Å; G133-C647 VanDerWaalsContact O-SG 3.4Å
134	G	90.2	Very high	92.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.187	C	C	.	.			trans	-89.8	-17.2	-168.8	0	0	0	0	0	116.4	A129 A132 C647 M691	A129-G134 PolarHBondContact O-N 3.24Å; A132-G134 VanDerWaalsContact C-N 3.31Å; A132-G134 PolarHBondContact O-N 2.57Å; G134-C647 VanDerWaalsContact C-SG 3.52Å; G134-C647 PolarHBondContact O-SG 2.98Å; G134-C647 VanDerWaalsContact O-SG 3.4Å; G134-M691 VanDerWaalsContact CA-SD 3.52Å
135	F	92.8	Very high	92.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.171	C	C	.	.			trans	-114.7	137.1	-172.8	-80.3	21.8	0	0	0	112	K80 V81 F120 V126 A129 V130 D139 F140 P750 R753	K80-F135 WeakPolarHBondContact CA-O 3.14Å; V81-F135 PolarHBondContact N-O 3.02Å; F120-F135 AromaticContact CE2-CE2 3.9Å; F120-F135 HydrophobicContact CE2-CE2 3.9Å; F120-F135 HydrophobicContact CZ-CD2 4.34Å; F120-F135 AromaticContact CZ-CE2 3.88Å; F120-F135 HydrophobicContact CZ-CE2 3.88Å; V126-F135 HydrophobicContact CB-CE2 4.49Å; V126-F135 HydrophobicContact CG1-CD2 4.09Å; V126-F135 HydrophobicContact CG1-CE2 4Å; V126-F135 HydrophobicContact CG2-CE2 4.14Å; A129-F135 HydrophobicContact CB-CD1 3.84Å; A129-F135 HydrophobicContact CB-CE1 3.68Å; A129-F135 HydrophobicContact CB-CG 4.36Å; A129-F135 HydrophobicContact CB-CZ 4.07Å; V130-F135 HydrophobicContact CG2-CB 4.2Å; F135-D139 HydrophobicContact CG-CB 4.46Å; F135-F140 HydrophobicContact CB-CD2 4.36Å; F135-F140 HydrophobicContact CB-CE2 3.82Å; F135-F140 HydrophobicContact CD2-CD2 4.12Å; F135-F140 AromaticContact CD2-CE2 3.65Å; F135-F140 HydrophobicContact CD2-CE2 3.65Å; F135-F140 HydrophobicContact CD2-CZ 4.37Å; F135-F140 HydrophobicContact CG-CE2 4.26Å; F135-P750 HydrophobicContact CE1-CG 4.08Å; F135-P750 HydrophobicContact CZ-CB 4.47Å; F135-P750 HydrophobicContact CZ-CG 3.79Å; F135-R753 HydrophobicContact CD1-CB 4.43Å; F135-R753 HydrophobicContact CE1-CB 3.55Å; F135-R753 HydrophobicContact CZ-CB 3.68Å; F135-R753 HydrophobicContact CZ-CG 4.3Å
136	S	90.9	Very high	92.4	Very high	9 Å²	9	30.1 Å²	30.1	6%	0.063	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-105.3	168.5	169.2	73.4	0	0	0	0	111.5	G79 V138 D139 F140	G79-S136 WeakPolarHBondContact O-CA 3.5Å; G79-S136 VanDerWaalsContact O-CB 3.31Å; G79-S136 WeakPolarHBondContact O-CB 3.44Å; S136-V138 PolarHBondContact O-N 2.69Å; S136-V138 PolarHBondContact OG-N 3.4Å; S136-D139 WeakPolarHBondContact CA-OD2 3.43Å; S136-D139 WeakPolarHBondContact CB-OD2 3.47Å; S136-D139 PolarHBondContact N-OD2 3.13Å; S136-D139 WeakPolarHBondContact O-CB 3.41Å; S136-D139 PolarHBondContact O-N 3.36Å; S136-D139 VanDerWaalsContact O-N 3.08Å; S136-D139 PolarHBondContact OG-N 3.05Å; S136-D139 PolarHBondContact OG-OD2 3.46Å; S136-F140 WeakPolarHBondContact O-CD2 3.32Å; S136-F140 PolarHBondContact O-N 3.17Å
137	S	86	Confident	92.1	Very high	46 Å²	46	31.4 Å²	31.4	32%	0.322	19%	0.189	S	C	.	.	H	α-helix	trans	-60.8	-26.6	174.9	56.8	0	0	0	0	113.3	R141 Y178	S137-R141 PolarHBondContact O-N 3.39Å; S137-Y178 WeakPolarHBondContact CA-OH 3.25Å; S137-Y178 VanDerWaalsContact CB-OH 3.25Å; S137-Y178 WeakPolarHBondContact CB-OH 3.31Å
138	V	88.2	Confident	91.9	Very high	52 Å²	52	30 Å²	30	32%	0.315	18%	0.177	S	C	.	.	H	α-helix	trans	-68.6	-40.6	174.8	177.6	0	0	0	0	110.7	R78 S136 F140 R141 D142	R78-V138 HydrophobicContact CG-CG2 4.02Å; S136-V138 PolarHBondContact O-N 2.69Å; S136-V138 PolarHBondContact OG-N 3.4Å; V138-F140 VanDerWaalsContact C-N 3.32Å; V138-F140 PolarHBondContact O-N 2.91Å; V138-R141 WeakPolarHBondContact O-CB 3.48Å; V138-R141 PolarHBondContact O-N 3.05Å; V138-R141 VanDerWaalsContact O-N 3.16Å; V138-D142 VanDerWaalsContact CG1-OD2 3.27Å; V138-D142 WeakPolarHBondContact CG1-OD2 3.35Å; V138-D142 WeakPolarHBondContact O-CB 3.07Å; V138-D142 VanDerWaalsContact O-CG 3.3Å; V138-D142 PolarHBondContact O-N 3.1Å
139	D	91.7	Very high	91.6	Very high	20 Å²	20	28.1 Å²	28.1	11%	0.107	16%	0.164	C	C	.	.	H	α-helix	trans	-61	-42.6	177.9	-60.4	-71	0	0	0	111.4	F135 S136 R141 D142 V143	F135-D139 HydrophobicContact CG-CB 4.46Å; S136-D139 WeakPolarHBondContact CA-OD2 3.43Å; S136-D139 WeakPolarHBondContact CB-OD2 3.47Å; S136-D139 PolarHBondContact N-OD2 3.13Å; S136-D139 WeakPolarHBondContact O-CB 3.41Å; S136-D139 PolarHBondContact O-N 3.36Å; S136-D139 VanDerWaalsContact O-N 3.08Å; S136-D139 PolarHBondContact OG-N 3.05Å; S136-D139 PolarHBondContact OG-OD2 3.46Å; D139-R141 VanDerWaalsContact C-N 3.33Å; D139-R141 PolarHBondContact O-N 3.4Å; D139-D142 PolarHBondContact O-N 3.45Å; D139-V143 VanDerWaalsContact O-CG2 3.29Å; D139-V143 WeakPolarHBondContact O-CG2 3.26Å; D139-V143 PolarHBondContact O-N 2.97Å
140	F	93.8	Very high	90.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.1	-45.5	175.6	-82.8	-115.6	0	0	0	111.7	V81 L86 I89 Y116 F120 L121 V126 V130 F135 S136 V138 F144 Y178	V81-F140 HydrophobicContact CB-CE2 3.94Å; V81-F140 HydrophobicContact CB-CZ 4.35Å; V81-F140 HydrophobicContact CG1-CE2 4.07Å; V81-F140 HydrophobicContact CG1-CZ 3.96Å; V81-F140 HydrophobicContact CG2-CD2 3.97Å; V81-F140 HydrophobicContact CG2-CE2 3.76Å; V81-F140 HydrophobicContact CG2-CZ 4.4Å; L86-F140 HydrophobicContact CD1-CE1 3.76Å; L86-F140 HydrophobicContact CD1-CZ 3.88Å; I89-F140 HydrophobicContact CD1-CD1 4.38Å; I89-F140 HydrophobicContact CD1-CE1 4.3Å; Y116-F140 PolarHBondContact OH-O 2.95Å; F120-F140 HydrophobicContact CE1-CB 4.44Å; F120-F140 AromaticContact CE1-CD1 3.64Å; F120-F140 HydrophobicContact CE1-CD1 3.64Å; F120-F140 AromaticContact CE1-CE1 3.94Å; F120-F140 HydrophobicContact CE1-CE1 3.94Å; F120-F140 AromaticContact CE1-CG 3.99Å; F120-F140 HydrophobicContact CE1-CG 3.99Å; F120-F140 HydrophobicContact CZ-CD1 4.29Å; F120-F140 HydrophobicContact CZ-CE1 4.49Å; F120-F140 HydrophobicContact CZ-CG 4.28Å; L121-F140 HydrophobicContact CD2-CD1 3.84Å; L121-F140 HydrophobicContact CD2-CE1 3.75Å; V126-F140 HydrophobicContact CG1-CE1 4.47Å; V126-F140 HydrophobicContact CG1-CZ 3.97Å; V130-F140 HydrophobicContact CG2-CE2 4.13Å; V130-F140 HydrophobicContact CG2-CZ 3.96Å; F135-F140 HydrophobicContact CB-CD2 4.36Å; F135-F140 HydrophobicContact CB-CE2 3.82Å; F135-F140 HydrophobicContact CD2-CD2 4.12Å; F135-F140 AromaticContact CD2-CE2 3.65Å; F135-F140 HydrophobicContact CD2-CE2 3.65Å; F135-F140 HydrophobicContact CD2-CZ 4.37Å; F135-F140 HydrophobicContact CG-CE2 4.26Å; S136-F140 WeakPolarHBondContact O-CD2 3.32Å; S136-F140 PolarHBondContact O-N 3.17Å; V138-F140 VanDerWaalsContact C-N 3.32Å; V138-F140 PolarHBondContact O-N 2.91Å; F140-F144 PolarHBondContact O-N 2.86Å; F140-Y178 HydrophobicContact CB-CE2 4.02Å; F140-Y178 HydrophobicContact CD1-CE2 4.34Å; F140-Y178 HydrophobicContact CG-CE2 4.44Å
141	R	93	Very high	90.3	Very high	81 Å²	81	36.1 Å²	36.1	31%	0.306	19%	0.193	S	C	.	.	H	α-helix	trans	-66.1	-41.2	179.7	-175.2	176.3	-179.4	-84.4	2.1	112	S137 V138 D139 F144 R145 M171 F174 D175	S137-R141 PolarHBondContact O-N 3.39Å; V138-R141 WeakPolarHBondContact O-CB 3.48Å; V138-R141 PolarHBondContact O-N 3.05Å; V138-R141 VanDerWaalsContact O-N 3.16Å; D139-R141 VanDerWaalsContact C-N 3.33Å; D139-R141 PolarHBondContact O-N 3.4Å; R141-F144 PolarHBondContact O-N 3.13Å; R141-R145 PolarHBondContact O-N 3.44Å; R141-M171 HydrophobicContact CG-CE 3.44Å; R141-M171 VanDerWaalsContact CG-CE 3.44Å; R141-F174 HydrophobicContact CB-CE1 4.06Å; R141-F174 HydrophobicContact CG-CD1 4.4Å; R141-F174 HydrophobicContact CG-CE1 4.01Å; R141-D175 WeakPolarHBondContact CD-OD1 3.25Å; R141-D175 IonicContact CZ-OD2 2.81Å; R141-D175 IonicContact NE-OD1 2.84Å; R141-D175 PolarHBondContact NE-OD1 3.08Å; R141-D175 IonicContact NE-OD2 3.66Å; R141-D175 PolarHBondContact NE-OD2 3.28Å; R141-D175 IonicContact NH2-OD2 2.9Å; R141-D175 PolarHBondContact NH2-OD2 2.86Å
142	D	91.9	Very high	89.9	Confident	37 Å²	37	32.7 Å²	32.7	20%	0.198	16%	0.163	C	C	.	.	H	α-helix	trans	-75.9	-31.1	-176.8	-69	-17.1	0	0	0	112.3	V138 D139 R145 C146	V138-D142 VanDerWaalsContact CG1-OD2 3.27Å; V138-D142 WeakPolarHBondContact CG1-OD2 3.35Å; V138-D142 WeakPolarHBondContact O-CB 3.07Å; V138-D142 VanDerWaalsContact O-CG 3.3Å; V138-D142 PolarHBondContact O-N 3.1Å; D139-D142 PolarHBondContact O-N 3.45Å; D142-R145 PolarHBondContact O-N 3.48Å; D142-C146 WeakPolarHBondContact O-CB 3.46Å; D142-C146 PolarHBondContact O-N 3.42Å
143	V	92.9	Very high	89.3	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.012	19%	0.19	C	C	.	.	H	α-helix	trans	-62.6	-44.9	169.3	173.2	0	0	0	0	110.8	Y116 F120 D139 R145 C146 M147 F751 R753	Y116-V143 HydrophobicContact CE2-CG1 4.29Å; F120-V143 HydrophobicContact CD2-CB 4.32Å; F120-V143 HydrophobicContact CD2-CG1 3.55Å; F120-V143 HydrophobicContact CD2-CG2 4.49Å; F120-V143 HydrophobicContact CE2-CB 3.99Å; F120-V143 HydrophobicContact CE2-CG1 3.71Å; F120-V143 HydrophobicContact CE2-CG2 3.83Å; F120-V143 HydrophobicContact CG-CG1 3.97Å; F120-V143 HydrophobicContact CZ-CB 4.16Å; F120-V143 HydrophobicContact CZ-CG1 4.27Å; F120-V143 HydrophobicContact CZ-CG2 4.16Å; D139-V143 VanDerWaalsContact O-CG2 3.29Å; D139-V143 WeakPolarHBondContact O-CG2 3.26Å; D139-V143 PolarHBondContact O-N 2.97Å; V143-R145 PolarHBondContact O-N 3.14Å; V143-C146 PolarHBondContact O-N 3.4Å; V143-M147 WeakPolarHBondContact O-CB 3.43Å; V143-M147 PolarHBondContact O-N 3.06Å; V143-F751 HydrophobicContact CG1-CB 4.25Å; V143-F751 HydrophobicContact CG1-CG 4.44Å; V143-F751 HydrophobicContact CG2-CB 4.09Å; V143-R753 HydrophobicContact CG2-CG 3.82Å
144	F	94.9	Very high	88.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61	-45.7	174.8	-177.9	-108.8	0	0	0	111.3	F109 A112 I113 Y116 F140 R141 C146 M147 I148 M171 F174	F109-F144 HydrophobicContact CE2-CE1 4.45Å; F109-F144 HydrophobicContact CE2-CZ 4.02Å; A112-F144 HydrophobicContact CB-CE2 4.5Å; I113-F144 HydrophobicContact CD1-CE2 3.69Å; I113-F144 HydrophobicContact CD1-CZ 3.7Å; Y116-F144 HydrophobicContact CD1-CD2 4.23Å; Y116-F144 HydrophobicContact CD2-CB 3.97Å; Y116-F144 AromaticContact CD2-CD2 3.72Å; Y116-F144 HydrophobicContact CD2-CD2 3.72Å; Y116-F144 HydrophobicContact CD2-CG 4.35Å; Y116-F144 HydrophobicContact CE2-CB 3.65Å; Y116-F144 HydrophobicContact CE2-CD2 4.24Å; Y116-F144 HydrophobicContact CE2-CG 4.43Å; Y116-F144 AromaticContact CG-CD2 3.7Å; Y116-F144 HydrophobicContact CG-CD2 3.7Å; Y116-F144 HydrophobicContact CG-CE2 4.41Å; F140-F144 PolarHBondContact O-N 2.86Å; R141-F144 PolarHBondContact O-N 3.13Å; F144-C146 VanDerWaalsContact C-N 3.33Å; F144-C146 PolarHBondContact O-N 3.46Å; F144-M147 WeakPolarHBondContact O-CB 3.43Å; F144-M147 PolarHBondContact O-N 3.47Å; F144-I148 HydrophobicContact CD1-CD1 4.14Å; F144-I148 HydrophobicContact CD1-CG2 4.39Å; F144-I148 HydrophobicContact CD2-CG2 4.2Å; F144-I148 HydrophobicContact CE1-CD1 3.79Å; F144-I148 HydrophobicContact CE1-CG2 3.91Å; F144-I148 HydrophobicContact CE2-CG2 3.7Å; F144-I148 HydrophobicContact CZ-CD1 4.44Å; F144-I148 HydrophobicContact CZ-CG2 3.55Å; F144-I148 WeakPolarHBondContact O-CG1 3.41Å; F144-I148 PolarHBondContact O-N 3.26Å; F144-M171 HydrophobicContact CD1-CE 4.44Å; F144-M171 HydrophobicContact CD1-SD 3.8Å; F144-M171 HydrophobicContact CE1-SD 4.23Å; F144-F174 HydrophobicContact CB-CD2 3.94Å; F144-F174 HydrophobicContact CB-CE2 3.53Å; F144-F174 HydrophobicContact CB-CZ 3.95Å; F144-F174 HydrophobicContact CD1-CB 3.77Å; F144-F174 HydrophobicContact CD1-CD1 4.24Å; F144-F174 AromaticContact CD1-CD2 3.21Å; F144-F174 HydrophobicContact CD1-CD2 3.21Å; F144-F174 AromaticContact CD1-CE2 3.78Å; F144-F174 HydrophobicContact CD1-CE2 3.78Å; F144-F174 AromaticContact CD1-CG 3.47Å; F144-F174 HydrophobicContact CD1-CG 3.47Å; F144-F174 VanDerWaalsContact CD1-CG 3.47Å; F144-F174 AromaticContact CD2-CD2 3.86Å; F144-F174 HydrophobicContact CD2-CD2 3.86Å; F144-F174 AromaticContact CD2-CE2 4Å; F144-F174 HydrophobicContact CD2-CE2 4Å; F144-F174 HydrophobicContact CE1-CB 3.51Å; F144-F174 AromaticContact CE1-CD2 3.55Å; F144-F174 HydrophobicContact CE1-CD2 3.55Å; F144-F174 HydrophobicContact CE1-CE2 4.49Å; F144-F174 AromaticContact CE1-CG 3.74Å; F144-F174 HydrophobicContact CE1-CG 3.74Å; F144-F174 HydrophobicContact CE2-CD2 4.15Å; F144-F174 AromaticContact CG-CD2 3.37Å; F144-F174 HydrophobicContact CG-CD2 3.37Å; F144-F174 AromaticContact CG-CE2 3.48Å; F144-F174 HydrophobicContact CG-CE2 3.48Å; F144-F174 VanDerWaalsContact CG-CE2 3.48Å; F144-F174 HydrophobicContact CG-CG 4.09Å; F144-F174 HydrophobicContact CG-CZ 4.31Å; F144-F174 HydrophobicContact CZ-CB 4.31Å; F144-F174 HydrophobicContact CZ-CD2 4Å
145	R	94.1	Very high	87.8	Confident	92 Å²	92	48 Å²	48	35%	0.347	23%	0.233	S	C	.	.	H	α-helix	trans	-55.6	-46.4	177.2	-170.8	-176.5	179.8	94	0.1	112	R141 D142 V143 I148 D149 L167 M171	R141-R145 PolarHBondContact O-N 3.44Å; D142-R145 PolarHBondContact O-N 3.48Å; V143-R145 PolarHBondContact O-N 3.14Å; R145-I148 VanDerWaalsContact O-CG1 3.28Å; R145-I148 WeakPolarHBondContact O-CG1 3.34Å; R145-I148 PolarHBondContact O-N 3.4Å; R145-D149 WeakPolarHBondContact O-CB 3.46Å; R145-D149 PolarHBondContact O-N 2.99Å; R145-L167 HydrophobicContact CG-CD1 4.43Å; R145-M171 HydrophobicContact CB-CE 4.11Å; R145-M171 HydrophobicContact CB-SD 3.81Å; R145-M171 HydrophobicContact CG-SD 4.07Å
146	C	89.2	Confident	86.9	Confident	52 Å²	52	53.1 Å²	53.1	35%	0.351	27%	0.267	S	S	.	.	H	α-helix	trans	-62.2	-45.9	178.6	-179	0	0	0	0	111.5	D142 V143 F144 I148 D149 R150	D142-C146 WeakPolarHBondContact O-CB 3.46Å; D142-C146 PolarHBondContact O-N 3.42Å; V143-C146 PolarHBondContact O-N 3.4Å; F144-C146 VanDerWaalsContact C-N 3.33Å; F144-C146 PolarHBondContact O-N 3.46Å; C146-I148 PolarHBondContact O-N 2.83Å; C146-D149 PolarHBondContact O-N 3.1Å; C146-R150 PolarHBondContact O-N 3.33Å; C146-R150 VanDerWaalsContact O-N 3.13Å
147	M	88.7	Confident	86	Confident	27 Å²	27	60.7 Å²	60.7	13%	0.133	30%	0.301	C	S	.	.	H	α-helix	trans	-59.4	-45	178.5	-176.8	-173.5	169.6	0	0	112.4	S115 Y116 V143 F144 R151	S115-M147 WeakPolarHBondContact OG-CE 3.37Å; Y116-M147 HydrophobicContact CD2-SD 4.2Å; V143-M147 WeakPolarHBondContact O-CB 3.43Å; V143-M147 PolarHBondContact O-N 3.06Å; F144-M147 WeakPolarHBondContact O-CB 3.43Å; F144-M147 PolarHBondContact O-N 3.47Å; M147-R151 PolarHBondContact O-N 3.05Å
148	I	90.8	Very high	85.4	Confident	1 Å²	1	64 Å²	64	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-76.1	-35.4	179.8	65.8	174.4	0	0	0	112.7	A112 F144 R145 C146 R150 R151 L152 L167 W170 M171	A112-I148 HydrophobicContact CB-CG2 4.18Å; F144-I148 HydrophobicContact CD1-CD1 4.14Å; F144-I148 HydrophobicContact CD1-CG2 4.39Å; F144-I148 HydrophobicContact CD2-CG2 4.2Å; F144-I148 HydrophobicContact CE1-CD1 3.79Å; F144-I148 HydrophobicContact CE1-CG2 3.91Å; F144-I148 HydrophobicContact CE2-CG2 3.7Å; F144-I148 HydrophobicContact CZ-CD1 4.44Å; F144-I148 HydrophobicContact CZ-CG2 3.55Å; F144-I148 WeakPolarHBondContact O-CG1 3.41Å; F144-I148 PolarHBondContact O-N 3.26Å; R145-I148 VanDerWaalsContact O-CG1 3.28Å; R145-I148 WeakPolarHBondContact O-CG1 3.34Å; R145-I148 PolarHBondContact O-N 3.4Å; C146-I148 PolarHBondContact O-N 2.83Å; I148-R150 VanDerWaalsContact C-N 3.27Å; I148-R150 PolarHBondContact O-N 3.44Å; I148-R151 PolarHBondContact O-N 2.94Å; I148-L152 WeakPolarHBondContact O-CB 3.35Å; I148-L152 VanDerWaalsContact O-CG 3.27Å; I148-L152 WeakPolarHBondContact O-CG 3.38Å; I148-L152 PolarHBondContact O-N 3.04Å; I148-L167 HydrophobicContact CD1-CD1 3.51Å; I148-L167 HydrophobicContact CG1-CD1 3.55Å; I148-W170 HydrophobicContact CB-CE3 3.89Å; I148-W170 HydrophobicContact CB-CZ3 4.19Å; I148-W170 HydrophobicContact CD1-CB 4Å; I148-W170 HydrophobicContact CD1-CE3 4.33Å; I148-W170 HydrophobicContact CG2-CE3 3.76Å; I148-W170 HydrophobicContact CG2-CZ3 4.01Å; I148-M171 HydrophobicContact CD1-CG 4.17Å; I148-M171 HydrophobicContact CD1-SD 3.68Å
149	D	88.1	Confident	84.9	Confident	52 Å²	52	69.5 Å²	69.5	28%	0.278	34%	0.342	S	S	.	.	H	α-helix	trans	-58.3	-44.2	176	-170.9	67.3	0	0	0	110.2	R145 C146 L152 R153 L167	R145-D149 WeakPolarHBondContact O-CB 3.46Å; R145-D149 PolarHBondContact O-N 2.99Å; C146-D149 PolarHBondContact O-N 3.1Å; D149-L152 PolarHBondContact O-N 3.47Å; D149-R153 WeakPolarHBondContact O-CG 2.91Å; D149-R153 PolarHBondContact O-N 3.44Å; D149-R153 IonicContact OD2-CZ 3.68Å; D149-R153 VanDerWaalsContact OD2-CZ 3.29Å; D149-R153 IonicContact OD2-NE 3.06Å; D149-R153 PolarHBondContact OD2-NE 3.4Å; D149-R153 IonicContact OD2-NH2 2.77Å; D149-R153 PolarHBondContact OD2-NH2 2.79Å; D149-L167 HydrophobicContact CB-CD1 4.44Å
150	R	79.7	Confident	84.3	Confident	97 Å²	97	72.9 Å²	72.9	37%	0.366	38%	0.381	S	S	.	.	H	α-helix	trans	-63.1	-44.5	175.6	-168.4	177.7	72.6	-146.6	18.2	112.4	C146 I148 L152 R153 S154 D840	C146-R150 PolarHBondContact O-N 3.33Å; C146-R150 VanDerWaalsContact O-N 3.13Å; I148-R150 VanDerWaalsContact C-N 3.27Å; I148-R150 PolarHBondContact O-N 3.44Å; R150-L152 VanDerWaalsContact C-N 3.32Å; R150-L152 PolarHBondContact O-N 3.02Å; R150-R153 WeakPolarHBondContact O-CB 3.08Å; R150-R153 PolarHBondContact O-N 2.77Å; R150-S154 PolarHBondContact O-N 3.22Å; R150-D840 VanDerWaalsContact CD-OD1 3.23Å; R150-D840 WeakPolarHBondContact CD-OD1 3.23Å; R150-D840 IonicContact CZ-OD1 2.85Å; R150-D840 IonicContact CZ-OD2 3.63Å; R150-D840 IonicContact NE-OD1 3.03Å; R150-D840 PolarHBondContact NE-OD1 2.94Å; R150-D840 IonicContact NE-OD2 3.97Å; R150-D840 IonicContact NH1-OD1 3.61Å; R150-D840 PolarHBondContact NH1-OD1 2.79Å; R150-D840 IonicContact NH1-OD2 3.37Å; R150-D840 PolarHBondContact NH1-OD2 3.07Å; R150-D840 IonicContact NH2-OD1 3.92Å; R150-D840 IonicContact NH2-OD2 3.43Å; R150-D840 PolarHBondContact NH2-OD2 3.31Å
151	R	82.6	Confident	83.7	Confident	80 Å²	80	76.9 Å²	76.9	30%	0.302	40%	0.402	S	S	.	.	H	α-helix	trans	-60.3	-42.8	176.4	-167.6	172.7	-176	-171.4	-2.9	111.5	A108 A112 M147 I148 R153 S154 L155	A108-R151 PolarHBondContact O-NH1 3.25Å; A112-R151 VanDerWaalsContact CA-NH1 3.32Å; M147-R151 PolarHBondContact O-N 3.05Å; I148-R151 PolarHBondContact O-N 2.94Å; R151-R153 VanDerWaalsContact C-N 3.34Å; R151-R153 PolarHBondContact O-N 3.29Å; R151-S154 PolarHBondContact O-N 2.88Å; R151-S154 PolarHBondContact O-OG 2.89Å; R151-L155 PolarHBondContact O-N 3.02Å
152	L	83.9	Confident	83.3	Confident	9 Å²	9	76 Å²	76	5%	0.047	41%	0.408	C	S	.	.	H	α-helix	trans	-67.5	-30.8	178	-68.5	170.1	0	0	0	112.8	I148 D149 R150 S154 L155 K163 V166 L167	I148-L152 WeakPolarHBondContact O-CB 3.35Å; I148-L152 VanDerWaalsContact O-CG 3.27Å; I148-L152 WeakPolarHBondContact O-CG 3.38Å; I148-L152 PolarHBondContact O-N 3.04Å; D149-L152 PolarHBondContact O-N 3.47Å; R150-L152 VanDerWaalsContact C-N 3.32Å; R150-L152 PolarHBondContact O-N 3.02Å; L152-S154 VanDerWaalsContact C-N 3.29Å; L152-S154 PolarHBondContact O-N 2.86Å; L152-L155 HydrophobicContact CD2-CD1 4.21Å; L152-L155 PolarHBondContact O-N 3.46Å; L152-K163 WeakPolarHBondContact O-CD 3.47Å; L152-K163 WeakPolarHBondContact O-CE 3.44Å; L152-K163 PolarHBondContact O-NZ 3.31Å; L152-V166 HydrophobicContact CD1-CB 4.41Å; L152-V166 HydrophobicContact CD1-CG1 4.31Å; L152-V166 HydrophobicContact CD2-CB 4.06Å; L152-V166 HydrophobicContact CD2-CG1 3.56Å; L152-L167 HydrophobicContact CD1-CB 3.91Å; L152-L167 HydrophobicContact CD1-CD1 4.1Å
153	R	80.4	Confident	83	Confident	179 Å²	179	77.6 Å²	77.6	68%	0.675	41%	0.413	S	S	*	.	H	α-helix	trans	-61.8	-37.5	173	-73.7	171.6	-168.6	-111.7	0.9	112.2	D149 R150 R151 L155 K163	D149-R153 WeakPolarHBondContact O-CG 2.91Å; D149-R153 PolarHBondContact O-N 3.44Å; D149-R153 IonicContact OD2-CZ 3.68Å; D149-R153 VanDerWaalsContact OD2-CZ 3.29Å; D149-R153 IonicContact OD2-NE 3.06Å; D149-R153 PolarHBondContact OD2-NE 3.4Å; D149-R153 IonicContact OD2-NH2 2.77Å; D149-R153 PolarHBondContact OD2-NH2 2.79Å; R150-R153 WeakPolarHBondContact O-CB 3.08Å; R150-R153 PolarHBondContact O-N 2.77Å; R151-R153 VanDerWaalsContact C-N 3.34Å; R151-R153 PolarHBondContact O-N 3.29Å; R153-L155 VanDerWaalsContact C-N 3.34Å; R153-K163 PolarHBondContact O-NZ 2.94Å
154	S	74.7	Confident	82.8	Confident	96 Å²	96	83.9 Å²	83.9	67%	0.671	44%	0.443	S	S	*	.	H	α-helix	trans	-76	-17.1	179.2	72.2	0	0	0	0	114.7	R150 R151 L152	R150-S154 PolarHBondContact O-N 3.22Å; R151-S154 PolarHBondContact O-N 2.88Å; R151-S154 PolarHBondContact O-OG 2.89Å; L152-S154 VanDerWaalsContact C-N 3.29Å; L152-S154 PolarHBondContact O-N 2.86Å
155	L	75	Confident	82.5	Confident	76 Å²	76	87.5 Å²	87.5	40%	0.398	46%	0.464	S	S	.	.	S	Bend	trans	-84.1	143.5	-177.8	-71.1	169.8	0	0	0	112.2	R151 L152 R153 K163	R151-L155 PolarHBondContact O-N 3.02Å; L152-L155 HydrophobicContact CD2-CD1 4.21Å; L152-L155 PolarHBondContact O-N 3.46Å; R153-L155 VanDerWaalsContact C-N 3.34Å; L155-K163 PolarHBondContact O-NZ 3.38Å
156	P	75.4	Confident	82.2	Confident	108 Å²	108	84.2 Å²	84.2	70%	0.701	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-58.6	148.5	171.3	-17.7	28.7	0	0	0	111.5	I158	P156-I158 PolarHBondContact O-N 3Å
157	E	71.4	Confident	82.3	Confident	167 Å²	167	82.3 Å²	82.3	78%	0.78	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-67.4	128.4	172.7	-70.3	-172.8	167.2	0	0	110.5
158	I	74.2	Confident	82.4	Confident	116 Å²	116	84.8 Å²	84.8	60%	0.595	46%	0.455	S	S	*	.	B	Isolated β-bridge	trans	-95.3	122.9	176.1	-57.8	173.8	0	0	0	107.4	P156 G160 L161	P156-I158 PolarHBondContact O-N 3Å; I158-G160 PolarHBondContact O-N 3.35Å; I158-G160 VanDerWaalsContact O-N 3.16Å; I158-L161 HydrophobicContact CB-CB 4.39Å; I158-L161 HydrophobicContact CG2-CB 4.45Å; I158-L161 PolarHBondContact O-N 3.04Å
159	N	76.4	Confident	82.4	Confident	168 Å²	168	87.1 Å²	87.1	90%	0.898	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	121.4	-179.7	-74.9	-26.6	0	0	0	111.4
160	G	79.4	Confident	82.7	Confident	91 Å²	91	85 Å²	85	94%	0.938	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	-3.7	178.3	0	0	0	0	0	115.9	I158	I158-G160 PolarHBondContact O-N 3.35Å; I158-G160 VanDerWaalsContact O-N 3.16Å
161	L	80.6	Confident	83.4	Confident	84 Å²	84	80.6 Å²	80.6	44%	0.44	44%	0.443	S	S	.	.	B	Isolated β-bridge	trans	-124.8	99.9	179.5	-159.6	80.8	0	0	0	110.3	I158 V166	I158-L161 HydrophobicContact CB-CB 4.39Å; I158-L161 HydrophobicContact CG2-CB 4.45Å; I158-L161 PolarHBondContact O-N 3.04Å; L161-V166 HydrophobicContact CD2-CG2 3.38Å; L161-V166 HydrophobicContact CG-CG2 3.75Å
162	S	85.3	Confident	83.9	Confident	61 Å²	61	79.7 Å²	79.7	43%	0.427	45%	0.453	S	S	.	.			trans	-68.4	146.1	178.6	73.7	0	0	0	0	111.3	E164 T165 V166	S162-E164 PolarHBondContact O-N 3.47Å; S162-T165 WeakPolarHBondContact O-CB 3.18Å; S162-T165 PolarHBondContact O-N 2.59Å; S162-T165 PolarHBondContact OG-N 3.34Å; S162-T165 PolarHBondContact OG-OG1 3.07Å; S162-V166 PolarHBondContact O-N 2.87Å; S162-V166 VanDerWaalsContact O-N 3.14Å
163	K	85.8	Confident	84.3	Confident	72 Å²	72	81.1 Å²	81.1	31%	0.313	46%	0.459	S	S	.	.	H	α-helix	trans	-54.7	-36.1	176.2	-62.4	-173.2	-179.9	-155.9	0	112.1	L152 R153 L155 V166 L167	L152-K163 WeakPolarHBondContact O-CD 3.47Å; L152-K163 WeakPolarHBondContact O-CE 3.44Å; L152-K163 PolarHBondContact O-NZ 3.31Å; R153-K163 PolarHBondContact O-NZ 2.94Å; L155-K163 PolarHBondContact O-NZ 3.38Å; K163-V166 PolarHBondContact O-N 3.29Å; K163-L167 WeakPolarHBondContact O-CB 3.31Å; K163-L167 PolarHBondContact O-N 3.37Å
164	E	87.6	Confident	85	Confident	134 Å²	134	72.7 Å²	72.7	63%	0.626	43%	0.427	S	S	*	.	H	α-helix	trans	-65.6	-38.7	175.8	-174.1	175.7	-172.2	0	0	112.8	S162 V166 L167 N168	S162-E164 PolarHBondContact O-N 3.47Å; E164-V166 VanDerWaalsContact C-N 3.35Å; E164-L167 PolarHBondContact O-N 3.16Å; E164-N168 WeakPolarHBondContact O-CB 3.42Å; E164-N168 PolarHBondContact O-N 2.58Å; E164-N168 PolarHBondContact O-ND2 2.84Å
165	T	88.7	Confident	85.8	Confident	75 Å²	75	69.8 Å²	69.8	46%	0.46	40%	0.404	S	S	.	.	H	α-helix	trans	-64.5	-42.3	175.5	-56.5	0	0	0	0	110.8	S162 N168 S169	S162-T165 WeakPolarHBondContact O-CB 3.18Å; S162-T165 PolarHBondContact O-N 2.59Å; S162-T165 PolarHBondContact OG-N 3.34Å; S162-T165 PolarHBondContact OG-OG1 3.07Å; T165-N168 PolarHBondContact O-N 3.34Å; T165-S169 WeakPolarHBondContact O-CB 3.16Å; T165-S169 PolarHBondContact O-N 3.27Å
166	V	88.8	Confident	86.5	Confident	24 Å²	24	71.2 Å²	71.2	15%	0.145	41%	0.407	C	S	.	.	H	α-helix	trans	-62.2	-47.9	174.9	-175.8	0	0	0	0	110.7	L152 L161 S162 K163 E164 N168 S169 W170	L152-V166 HydrophobicContact CD1-CB 4.41Å; L152-V166 HydrophobicContact CD1-CG1 4.31Å; L152-V166 HydrophobicContact CD2-CB 4.06Å; L152-V166 HydrophobicContact CD2-CG1 3.56Å; L161-V166 HydrophobicContact CD2-CG2 3.38Å; L161-V166 HydrophobicContact CG-CG2 3.75Å; S162-V166 PolarHBondContact O-N 2.87Å; S162-V166 VanDerWaalsContact O-N 3.14Å; K163-V166 PolarHBondContact O-N 3.29Å; E164-V166 VanDerWaalsContact C-N 3.35Å; V166-N168 PolarHBondContact O-N 3.49Å; V166-S169 WeakPolarHBondContact O-CB 3.39Å; V166-S169 PolarHBondContact O-N 2.97Å; V166-W170 HydrophobicContact CG1-CD2 4.2Å; V166-W170 HydrophobicContact CG1-CG 4.28Å; V166-W170 HydrophobicContact CG1-CZ2 4.44Å; V166-W170 WeakPolarHBondContact O-CB 3.45Å; V166-W170 PolarHBondContact O-N 3.08Å
167	L	90.7	Very high	87.3	Confident	11 Å²	11	66.1 Å²	66.1	6%	0.058	37%	0.374	C	S	.	.	H	α-helix	trans	-55	-51.1	177.2	-177.4	73.3	0	0	0	111.3	R145 I148 D149 L152 K163 E164 S169 W170 M171	R145-L167 HydrophobicContact CG-CD1 4.43Å; I148-L167 HydrophobicContact CD1-CD1 3.51Å; I148-L167 HydrophobicContact CG1-CD1 3.55Å; D149-L167 HydrophobicContact CB-CD1 4.44Å; L152-L167 HydrophobicContact CD1-CB 3.91Å; L152-L167 HydrophobicContact CD1-CD1 4.1Å; K163-L167 WeakPolarHBondContact O-CB 3.31Å; K163-L167 PolarHBondContact O-N 3.37Å; E164-L167 PolarHBondContact O-N 3.16Å; L167-S169 PolarHBondContact O-N 2.71Å; L167-W170 PolarHBondContact O-N 3.32Å; L167-M171 WeakPolarHBondContact O-CB 3.39Å; L167-M171 VanDerWaalsContact O-CG 3.27Å; L167-M171 WeakPolarHBondContact O-CG 3.35Å; L167-M171 PolarHBondContact O-N 3.44Å
168	N	91.9	Very high	88.2	Confident	79 Å²	79	59.9 Å²	59.9	42%	0.422	34%	0.344	S	S	.	.	H	α-helix	trans	-64.5	-39.4	-179.6	-71.8	-30.7	0	0	0	112.1	E164 T165 V166 M171 A172	E164-N168 WeakPolarHBondContact O-CB 3.42Å; E164-N168 PolarHBondContact O-N 2.58Å; E164-N168 PolarHBondContact O-ND2 2.84Å; T165-N168 PolarHBondContact O-N 3.34Å; V166-N168 PolarHBondContact O-N 3.49Å; N168-M171 PolarHBondContact O-N 3.13Å; N168-A172 PolarHBondContact O-N 3.37Å
169	S	90.8	Very high	88.3	Confident	51 Å²	51	62.6 Å²	62.6	36%	0.357	35%	0.346	S	S	.	.	H	α-helix	trans	-61.7	-47.6	174.5	-176.8	0	0	0	0	111.9	T165 V166 L167 A172 K173	T165-S169 WeakPolarHBondContact O-CB 3.16Å; T165-S169 PolarHBondContact O-N 3.27Å; V166-S169 WeakPolarHBondContact O-CB 3.39Å; V166-S169 PolarHBondContact O-N 2.97Å; L167-S169 PolarHBondContact O-N 2.71Å; S169-A172 PolarHBondContact O-N 3.42Å; S169-K173 WeakPolarHBondContact O-CG 3.37Å; S169-K173 PolarHBondContact O-N 3.49Å
170	W	94.3	Very high	87.4	Confident	7 Å²	7	55.4 Å²	55.4	3%	0.027	31%	0.31	C	S	.	.	H	α-helix	trans	-65.6	-38.8	179	-77.2	19.6	0	0	0	112.1	D106 A108 F109 A112 I148 V166 L167 K173 F174	D106-W170 WeakPolarHBondContact OD1-CZ2 3.46Å; D106-W170 PolarHBondContact OD2-NE1 3.27Å; A108-W170 HydrophobicContact CB-CH2 3.96Å; A108-W170 HydrophobicContact CB-CZ2 3.85Å; F109-W170 HydrophobicContact CB-CD2 4.28Å; F109-W170 HydrophobicContact CB-CZ2 3.9Å; F109-W170 HydrophobicContact CD2-CB 3.86Å; F109-W170 AromaticContact CD2-CD1 3.79Å; F109-W170 AromaticContact CD2-CD2 3.59Å; F109-W170 HydrophobicContact CD2-CD2 3.59Å; F109-W170 AromaticContact CD2-CE2 3.94Å; F109-W170 HydrophobicContact CD2-CE3 4.06Å; F109-W170 AromaticContact CD2-CG 3.49Å; F109-W170 HydrophobicContact CD2-CG 3.49Å; F109-W170 VanDerWaalsContact CD2-CG 3.49Å; F109-W170 HydrophobicContact CE2-CB 3.92Å; F109-W170 HydrophobicContact CE2-CD2 4.47Å; F109-W170 HydrophobicContact CE2-CG 4.08Å; F109-W170 WeakPolarHBondContact CE2-O 3.36Å; F109-W170 HydrophobicContact CG-CD2 4.42Å; F109-W170 HydrophobicContact CG-CG 4.46Å; A112-W170 HydrophobicContact CB-CE3 4.44Å; A112-W170 HydrophobicContact CB-CH2 4.37Å; A112-W170 HydrophobicContact CB-CZ3 3.81Å; I148-W170 HydrophobicContact CB-CE3 3.89Å; I148-W170 HydrophobicContact CB-CZ3 4.19Å; I148-W170 HydrophobicContact CD1-CB 4Å; I148-W170 HydrophobicContact CD1-CE3 4.33Å; I148-W170 HydrophobicContact CG2-CE3 3.76Å; I148-W170 HydrophobicContact CG2-CZ3 4.01Å; V166-W170 HydrophobicContact CG1-CD2 4.2Å; V166-W170 HydrophobicContact CG1-CG 4.28Å; V166-W170 HydrophobicContact CG1-CZ2 4.44Å; V166-W170 WeakPolarHBondContact O-CB 3.45Å; V166-W170 PolarHBondContact O-N 3.08Å; L167-W170 PolarHBondContact O-N 3.32Å; W170-K173 PolarHBondContact O-N 3.45Å; W170-F174 WeakPolarHBondContact O-CB 3.27Å; W170-F174 PolarHBondContact O-N 3.3Å
171	M	94.4	Very high	85.9	Confident	4 Å²	4	58 Å²	58	2%	0.02	30%	0.298	C	S	.	.	H	α-helix	trans	-64.5	-39.4	174.2	-70.2	-54.3	-57.2	0	0	112.3	R141 F144 R145 I148 L167 N168 F174 D175	R141-M171 HydrophobicContact CG-CE 3.44Å; R141-M171 VanDerWaalsContact CG-CE 3.44Å; F144-M171 HydrophobicContact CD1-CE 4.44Å; F144-M171 HydrophobicContact CD1-SD 3.8Å; F144-M171 HydrophobicContact CE1-SD 4.23Å; R145-M171 HydrophobicContact CB-CE 4.11Å; R145-M171 HydrophobicContact CB-SD 3.81Å; R145-M171 HydrophobicContact CG-SD 4.07Å; I148-M171 HydrophobicContact CD1-CG 4.17Å; I148-M171 HydrophobicContact CD1-SD 3.68Å; L167-M171 WeakPolarHBondContact O-CB 3.39Å; L167-M171 VanDerWaalsContact O-CG 3.27Å; L167-M171 WeakPolarHBondContact O-CG 3.35Å; L167-M171 PolarHBondContact O-N 3.44Å; N168-M171 PolarHBondContact O-N 3.13Å; M171-F174 HydrophobicContact CE-CD1 4.39Å; M171-F174 WeakPolarHBondContact O-CB 3.32Å; M171-F174 PolarHBondContact O-N 2.93Å; M171-D175 WeakPolarHBondContact O-CB 3.45Å; M171-D175 VanDerWaalsContact O-CG 3.26Å; M171-D175 PolarHBondContact O-N 3.13Å
172	A	91.9	Very high	84.1	Confident	62 Å²	62	58 Å²	58	51%	0.512	30%	0.298	S	S	.	.	H	α-helix	trans	-64.5	-41	175.9	0	0	0	0	0	112	N168 S169 D175 F176	N168-A172 PolarHBondContact O-N 3.37Å; S169-A172 PolarHBondContact O-N 3.42Å; A172-D175 PolarHBondContact O-N 3.34Å; A172-F176 PolarHBondContact O-N 3.44Å; A172-F176 VanDerWaalsContact O-N 3.11Å
173	K	93	Very high	82	Confident	39 Å²	39	62.3 Å²	62.3	17%	0.17	31%	0.312	C	S	.	.	H	α-helix	trans	-64.7	-42.5	174.2	-69.4	166.4	172.3	-178.1	0	111.8	I103 V104 V105 D106 F109 S169 W170 F176 I177	I103-K173 HydrophobicContact CG2-CG 4.23Å; V104-K173 VanDerWaalsContact O-CE 3.3Å; V104-K173 WeakPolarHBondContact O-CE 3.33Å; V104-K173 PolarHBondContact O-NZ 3.3Å; V105-K173 HydrophobicContact CG1-CD 4.15Å; D106-K173 IonicContact OD2-NZ 3.8Å; F109-K173 HydrophobicContact CE1-CB 3.97Å; F109-K173 HydrophobicContact CE1-CD 4.47Å; F109-K173 HydrophobicContact CE2-CB 3.93Å; F109-K173 HydrophobicContact CE2-CD 4.49Å; F109-K173 HydrophobicContact CZ-CB 3.46Å; F109-K173 VanDerWaalsContact CZ-CB 3.46Å; F109-K173 HydrophobicContact CZ-CD 4.43Å; S169-K173 WeakPolarHBondContact O-CG 3.37Å; S169-K173 PolarHBondContact O-N 3.49Å; W170-K173 PolarHBondContact O-N 3.45Å; K173-F176 WeakPolarHBondContact O-CB 3.33Å; K173-F176 PolarHBondContact O-N 2.83Å; K173-I177 WeakPolarHBondContact O-CG1 3.43Å; K173-I177 PolarHBondContact O-N 3.11Å; K173-I177 VanDerWaalsContact O-N 3.12Å
174	F	94.3	Very high	79.6	Confident	1 Å²	1	66.6 Å²	66.6	0%	0.004	34%	0.337	C	S	.	.	H	α-helix	trans	-58.7	-48.3	173.2	172.9	-86.6	0	0	0	111.7	F93 I113 Y116 R141 F144 W170 M171 F176 I177 Y178	F93-F174 HydrophobicContact CE1-CD2 4.13Å; F93-F174 AromaticContact CE1-CE2 3.92Å; F93-F174 HydrophobicContact CE1-CE2 3.92Å; F93-F174 AromaticContact CZ-CD2 3.87Å; F93-F174 HydrophobicContact CZ-CD2 3.87Å; F93-F174 AromaticContact CZ-CE2 3.49Å; F93-F174 HydrophobicContact CZ-CE2 3.49Å; F93-F174 VanDerWaalsContact CZ-CE2 3.49Å; F93-F174 HydrophobicContact CZ-CZ 4.12Å; I113-F174 HydrophobicContact CD1-CD2 4.29Å; Y116-F174 HydrophobicContact CD1-CE2 4.33Å; Y116-F174 AromaticContact CE1-CE2 3.74Å; Y116-F174 HydrophobicContact CE1-CE2 3.74Å; Y116-F174 HydrophobicContact CE1-CZ 4.38Å; Y116-F174 AromaticContact CZ-CE2 3.91Å; R141-F174 HydrophobicContact CB-CE1 4.06Å; R141-F174 HydrophobicContact CG-CD1 4.4Å; R141-F174 HydrophobicContact CG-CE1 4.01Å; F144-F174 HydrophobicContact CB-CD2 3.94Å; F144-F174 HydrophobicContact CB-CE2 3.53Å; F144-F174 HydrophobicContact CB-CZ 3.95Å; F144-F174 HydrophobicContact CD1-CB 3.77Å; F144-F174 HydrophobicContact CD1-CD1 4.24Å; F144-F174 AromaticContact CD1-CD2 3.21Å; F144-F174 HydrophobicContact CD1-CD2 3.21Å; F144-F174 AromaticContact CD1-CE2 3.78Å; F144-F174 HydrophobicContact CD1-CE2 3.78Å; F144-F174 AromaticContact CD1-CG 3.47Å; F144-F174 HydrophobicContact CD1-CG 3.47Å; F144-F174 VanDerWaalsContact CD1-CG 3.47Å; F144-F174 AromaticContact CD2-CD2 3.86Å; F144-F174 HydrophobicContact CD2-CD2 3.86Å; F144-F174 AromaticContact CD2-CE2 4Å; F144-F174 HydrophobicContact CD2-CE2 4Å; F144-F174 HydrophobicContact CE1-CB 3.51Å; F144-F174 AromaticContact CE1-CD2 3.55Å; F144-F174 HydrophobicContact CE1-CD2 3.55Å; F144-F174 HydrophobicContact CE1-CE2 4.49Å; F144-F174 AromaticContact CE1-CG 3.74Å; F144-F174 HydrophobicContact CE1-CG 3.74Å; F144-F174 HydrophobicContact CE2-CD2 4.15Å; F144-F174 AromaticContact CG-CD2 3.37Å; F144-F174 HydrophobicContact CG-CD2 3.37Å; F144-F174 AromaticContact CG-CE2 3.48Å; F144-F174 HydrophobicContact CG-CE2 3.48Å; F144-F174 VanDerWaalsContact CG-CE2 3.48Å; F144-F174 HydrophobicContact CG-CG 4.09Å; F144-F174 HydrophobicContact CG-CZ 4.31Å; F144-F174 HydrophobicContact CZ-CB 4.31Å; F144-F174 HydrophobicContact CZ-CD2 4Å; W170-F174 WeakPolarHBondContact O-CB 3.27Å; W170-F174 PolarHBondContact O-N 3.3Å; M171-F174 HydrophobicContact CE-CD1 4.39Å; M171-F174 WeakPolarHBondContact O-CB 3.32Å; M171-F174 PolarHBondContact O-N 2.93Å; F174-F176 PolarHBondContact O-N 3.29Å; F174-I177 PolarHBondContact O-N 3.05Å; F174-I177 VanDerWaalsContact O-N 3.09Å; F174-Y178 HydrophobicContact CE1-CD2 4.09Å; F174-Y178 HydrophobicContact CE1-CG 4.32Å; F174-Y178 AromaticContact CZ-CD2 3.97Å; F174-Y178 HydrophobicContact CZ-CD2 3.97Å; F174-Y178 WeakPolarHBondContact O-CB 3.28Å; F174-Y178 PolarHBondContact O-N 3.45Å
175	D	92.1	Very high	77	Confident	36 Å²	36	65.1 Å²	65.1	19%	0.193	34%	0.338	C	S	.	.	H	α-helix	trans	-61.3	-32.6	-179.8	-72.4	-27	0	0	0	111.2	R141 M171 A172 R179	R141-D175 WeakPolarHBondContact CD-OD1 3.25Å; R141-D175 IonicContact CZ-OD2 2.81Å; R141-D175 IonicContact NE-OD1 2.84Å; R141-D175 PolarHBondContact NE-OD1 3.08Å; R141-D175 IonicContact NE-OD2 3.66Å; R141-D175 PolarHBondContact NE-OD2 3.28Å; R141-D175 IonicContact NH2-OD2 2.9Å; R141-D175 PolarHBondContact NH2-OD2 2.86Å; M171-D175 WeakPolarHBondContact O-CB 3.45Å; M171-D175 VanDerWaalsContact O-CG 3.26Å; M171-D175 PolarHBondContact O-N 3.13Å; A172-D175 PolarHBondContact O-N 3.34Å; D175-R179 WeakPolarHBondContact O-CB 3.08Å; D175-R179 VanDerWaalsContact O-CG 3.3Å; D175-R179 WeakPolarHBondContact O-CG 3.11Å; D175-R179 PolarHBondContact O-N 3.47Å
176	F	90.2	Very high	74.3	Confident	106 Å²	106	67.4 Å²	67.4	47%	0.465	35%	0.346	S	S	.	.	H	α-helix	trans	-67.6	-43	173.1	-175.4	-83.7	0	0	0	112.9	I101 I103 A172 K173 F174 Y178	I101-F176 HydrophobicContact CG2-CD1 4.39Å; I101-F176 HydrophobicContact CG2-CE1 3.88Å; I103-F176 HydrophobicContact CD1-CD1 3.33Å; I103-F176 HydrophobicContact CD1-CE1 3.85Å; I103-F176 HydrophobicContact CD1-CG 4.28Å; I103-F176 HydrophobicContact CG1-CD1 3.7Å; I103-F176 HydrophobicContact CG1-CE1 3.72Å; A172-F176 PolarHBondContact O-N 3.44Å; A172-F176 VanDerWaalsContact O-N 3.11Å; K173-F176 WeakPolarHBondContact O-CB 3.33Å; K173-F176 PolarHBondContact O-N 2.83Å; F174-F176 PolarHBondContact O-N 3.29Å; F176-Y178 VanDerWaalsContact C-N 3.33Å
177	I	92.1	Very high	71.6	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-64.5	-42.3	175.1	-61.3	165.5	0	0	0	109.9	R92 F93 F96 I103 F109 I113 K173 F174	R92-I177 PolarHBondContact NE-O 3.37Å; F93-I177 HydrophobicContact CD1-CG2 4.25Å; F93-I177 HydrophobicContact CD2-CG2 3.8Å; F93-I177 HydrophobicContact CE1-CG2 4.24Å; F93-I177 HydrophobicContact CE2-CG2 3.83Å; F93-I177 HydrophobicContact CG-CG2 4.02Å; F93-I177 HydrophobicContact CZ-CG2 4.04Å; F96-I177 HydrophobicContact CB-CD1 4.36Å; F96-I177 HydrophobicContact CB-CG1 4.38Å; F96-I177 HydrophobicContact CB-CG2 4.12Å; F96-I177 HydrophobicContact CD1-CD1 3.82Å; F96-I177 HydrophobicContact CD2-CD1 3.72Å; F96-I177 HydrophobicContact CD2-CG1 4.01Å; F96-I177 HydrophobicContact CE1-CD1 3.99Å; F96-I177 HydrophobicContact CE2-CD1 3.9Å; F96-I177 HydrophobicContact CG-CD1 3.67Å; F96-I177 HydrophobicContact CG-CG1 4.09Å; F96-I177 HydrophobicContact CZ-CD1 4.02Å; I103-I177 HydrophobicContact CD1-CD1 4.09Å; I103-I177 HydrophobicContact CD1-CG1 3.44Å; I103-I177 VanDerWaalsContact CD1-CG1 3.44Å; F109-I177 HydrophobicContact CE1-CD1 4Å; F109-I177 HydrophobicContact CZ-CD1 4.11Å; I113-I177 HydrophobicContact CD1-CD1 4.06Å; I113-I177 HydrophobicContact CG1-CD1 4.3Å; K173-I177 WeakPolarHBondContact O-CG1 3.43Å; K173-I177 PolarHBondContact O-N 3.11Å; K173-I177 VanDerWaalsContact O-N 3.12Å; F174-I177 PolarHBondContact O-N 3.05Å; F174-I177 VanDerWaalsContact O-N 3.09Å
178	Y	88.9	Confident	68.7	Low	37 Å²	37	80.8 Å²	80.8	15%	0.145	41%	0.414	C	S	.	.	H	α-helix	trans	-68.1	-41.7	-176	-167.3	-87.1	0	0	0	113.1	I89 F93 S137 F140 F174 F176	I89-Y178 HydrophobicContact CD1-CE2 3.75Å; I89-Y178 WeakPolarHBondContact CD1-OH 3.46Å; I89-Y178 HydrophobicContact CG1-CE2 4.08Å; I89-Y178 HydrophobicContact CG2-CD2 4.36Å; I89-Y178 HydrophobicContact CG2-CE2 4.18Å; F93-Y178 HydrophobicContact CE2-CD2 4.18Å; S137-Y178 WeakPolarHBondContact CA-OH 3.25Å; S137-Y178 VanDerWaalsContact CB-OH 3.25Å; S137-Y178 WeakPolarHBondContact CB-OH 3.31Å; F140-Y178 HydrophobicContact CB-CE2 4.02Å; F140-Y178 HydrophobicContact CD1-CE2 4.34Å; F140-Y178 HydrophobicContact CG-CE2 4.44Å; F174-Y178 HydrophobicContact CE1-CD2 4.09Å; F174-Y178 HydrophobicContact CE1-CG 4.32Å; F174-Y178 AromaticContact CZ-CD2 3.97Å; F174-Y178 HydrophobicContact CZ-CD2 3.97Å; F174-Y178 WeakPolarHBondContact O-CB 3.28Å; F174-Y178 PolarHBondContact O-N 3.45Å; F176-Y178 VanDerWaalsContact C-N 3.33Å
179	R	77.2	Confident	65.6	Low	172 Å²	172	79.6 Å²	79.6	65%	0.649	42%	0.421	S	S	*	.	S	Bend	trans	-77.5	134.8	-177.5	-71.8	179.9	-174.7	-169.2	3	112.3	R92 D175	R92-R179 PolarHBondContact NE-O 3.36Å; R92-R179 PolarHBondContact NH2-O 2.94Å; D175-R179 WeakPolarHBondContact O-CB 3.08Å; D175-R179 VanDerWaalsContact O-CG 3.3Å; D175-R179 WeakPolarHBondContact O-CG 3.11Å; D175-R179 PolarHBondContact O-N 3.47Å
180	A	57.4	Low	63.1	Low	17 Å²	17	83 Å²	83	14%	0.14	44%	0.442	C	S	.	.			trans	-82.4	135.4	166.6	0	0	0	0	0	111	D182 E183	A180-D182 PolarHBondContact O-N 3.43Å; A180-D182 VanDerWaalsContact O-N 3.14Å; A180-E183 PolarHBondContact O-N 3.01Å
181	E	48.3	Very low	60.1	Low	145 Å²	145	92.8 Å²	92.8	68%	0.678	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.9	173.3	-72.3	-173.1	151	0	0	112.7	E183 L184	E181-E183 PolarHBondContact O-N 3.44Å; E181-E183 VanDerWaalsContact O-N 3.12Å; E181-L184 PolarHBondContact O-N 2.91Å
182	D	42.8	Very low	57.2	Low	84 Å²	84	96.9 Å²	96.9	45%	0.449	52%	0.519	S	S	.	.	H	α-helix	trans	-61.5	-20.9	-177.9	-63.8	-40.3	0	0	0	114.8	R88 A180 L184 T185 I186	R88-D182 IonicContact NH2-OD2 2.73Å; R88-D182 PolarHBondContact NH2-OD2 3.43Å; R88-D182 VanDerWaalsContact NH2-OD2 3.1Å; A180-D182 PolarHBondContact O-N 3.43Å; A180-D182 VanDerWaalsContact O-N 3.14Å; D182-L184 VanDerWaalsContact C-N 3.32Å; D182-T185 PolarHBondContact O-N 2.88Å; D182-I186 HydrophobicContact CB-CD1 4.19Å; D182-I186 WeakPolarHBondContact O-CG1 3.27Å; D182-I186 PolarHBondContact O-N 3.25Å; D182-I186 VanDerWaalsContact O-N 3.16Å
183	E	40.6	Very low	54.3	Low	152 Å²	152	106.1 Å²	106.1	71%	0.71	54%	0.541	S	S	*	.	H	α-helix	trans	-72.9	-23.9	174.7	-80.4	-167.1	153.8	0	0	113.1	A180 E181	A180-E183 PolarHBondContact O-N 3.01Å; E181-E183 PolarHBondContact O-N 3.44Å; E181-E183 VanDerWaalsContact O-N 3.12Å
184	L	36.2	Very low	51.5	Low	162 Å²	162	107.6 Å²	107.6	85%	0.848	57%	0.567	S	S	*	*	H	α-helix	trans	-78.8	-26.3	175.6	-72.7	170.9	0	0	0	112.5	E181 D182	E181-L184 PolarHBondContact O-N 2.91Å; D182-L184 VanDerWaalsContact C-N 3.32Å
185	T	32.6	Very low	48.7	Very low	104 Å²	104	114.5 Å²	114.5	64%	0.638	60%	0.602	S	S	*	*	H	α-helix	trans	-96.3	-26.2	-177	36.9	0	0	0	0	114.5	D182 C187	D182-T185 PolarHBondContact O-N 2.88Å; T185-C187 PolarHBondContact O-N 3.48Å
186	I	32.8	Very low	46.5	Very low	122 Å²	122	117.8 Å²	117.8	63%	0.626	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-83.3	-8.7	-175.6	-62.3	174.2	0	0	0	113.6	D182 K188	D182-I186 HydrophobicContact CB-CD1 4.19Å; D182-I186 WeakPolarHBondContact O-CG1 3.27Å; D182-I186 PolarHBondContact O-N 3.25Å; D182-I186 VanDerWaalsContact O-N 3.16Å; I186-K188 VanDerWaalsContact C-N 3.27Å; I186-K188 PolarHBondContact O-N 3.24Å
187	C	31.2	Very low	44.4	Very low	114 Å²	114	114.9 Å²	114.9	77%	0.77	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-81.9	13.9	178.6	-67.5	0	0	0	0	115.7	T185	T185-C187 PolarHBondContact O-N 3.48Å
188	K	29.4	Very low	42.4	Very low	202 Å²	202	117.6 Å²	117.6	88%	0.878	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-112.3	16.5	171.8	-74.1	-168.1	178	179.9	0	115.2	I186	I186-K188 VanDerWaalsContact C-N 3.27Å; I186-K188 PolarHBondContact O-N 3.24Å
189	G	27.7	Very low	40.8	Very low	54 Å²	54	118.1 Å²	118.1	56%	0.557	65%	0.645	S	S	*	*			trans	-107.1	111	172.3	0	0	0	0	0	113.1	K191	G189-K191 VanDerWaalsContact C-N 3.28Å; G189-K191 PolarHBondContact O-N 3.16Å
190	P	39	Very low	40.1	Very low	123 Å²	123	110.9 Å²	110.9	80%	0.799	62%	0.62	S	S	*	*	S	Bend	trans	-81.4	76.7	172.2	32.6	-30.3	0	0	0	109
191	K	30.7	Very low	40.6	Very low	213 Å²	213	111.3 Å²	111.3	93%	0.926	62%	0.62	S	S	*	*			trans	176.8	60	164.7	-97.1	155.3	-167.4	-173.9	0	111.3	G189	G189-K191 VanDerWaalsContact C-N 3.28Å; G189-K191 PolarHBondContact O-N 3.16Å
192	A	32.9	Very low	41.7	Very low	90 Å²	90	108.5 Å²	108.5	74%	0.744	61%	0.607	S	S	*	*			trans	-131.6	105.3	152.5	0	0	0	0	0	106.3	G194	A192-G194 PolarHBondContact O-N 3.03Å
193	R	30.9	Very low	43.5	Very low	256 Å²	256	109.9 Å²	109.9	97%	0.966	61%	0.613	S	S	*	*			trans	-70.9	63.8	168	-72.9	-179.7	-177.7	161.3	-0.4	108.3	I195	R193-I195 PolarHBondContact O-N 2.91Å
194	G	34.2	Very low	45.6	Very low	69 Å²	69	103.8 Å²	103.8	71%	0.711	59%	0.585	S	S	*	*			trans	-81.3	95.6	161.9	0	0	0	0	0	106.6	A192 Q196	A192-G194 PolarHBondContact O-N 3.03Å; G194-Q196 PolarHBondContact O-N 3.32Å
195	I	35	Very low	48.1	Very low	147 Å²	147	99.7 Å²	99.7	75%	0.754	57%	0.567	S	S	*	*			trans	-60.7	106.3	-180	-66.9	169.4	0	0	0	108.6	R193 A197	R193-I195 PolarHBondContact O-N 2.91Å; I195-A197 VanDerWaalsContact C-N 3.33Å; I195-A197 PolarHBondContact O-N 3.09Å
196	Q	45.9	Very low	50.8	Low	104 Å²	104	97.8 Å²	97.8	49%	0.486	55%	0.553	S	S	.	*				41	39.9	129	-57.7	-175.7	-4.7	0	0	119	G194 G198 N199	G194-Q196 PolarHBondContact O-N 3.32Å; Q196-G198 PolarHBondContact O-N 3.23Å; Q196-N199 HydrophobicContact CB-CB 3.89Å; Q196-N199 WeakPolarHBondContact CG-ND2 3.28Å; Q196-N199 PolarHBondContact NE2-ND2 3.49Å; Q196-N199 PolarHBondContact O-N 3.2Å; Q196-N199 PolarHBondContact OE1-ND2 3.39Å
197	A	47.9	Very low	53.6	Low	46 Å²	46	98.6 Å²	98.6	38%	0.38	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-55.8	-24.1	171.9	0	0	0	0	0	113.1	I195 T200 S645	I195-A197 VanDerWaalsContact C-N 3.33Å; I195-A197 PolarHBondContact O-N 3.09Å; A197-T200 PolarHBondContact O-OG1 2.89Å; A197-S645 WeakPolarHBondContact CB-OG 3.46Å
198	G	49.8	Very low	56.5	Low	57 Å²	57	95.7 Å²	95.7	59%	0.588	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-8.8	173.4	0	0	0	0	0	115.9	Q196 Q202	Q196-G198 PolarHBondContact O-N 3.23Å; G198-Q202 PolarHBondContact O-NE2 3.46Å
199	N	55.5	Low	59.5	Low	47 Å²	47	86 Å²	86	25%	0.251	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-16.5	-177.5	-70	-0.5	0	0	0	113.9	Q196 D201 Q202	Q196-N199 HydrophobicContact CB-CB 3.89Å; Q196-N199 WeakPolarHBondContact CG-ND2 3.28Å; Q196-N199 PolarHBondContact NE2-ND2 3.49Å; Q196-N199 PolarHBondContact O-N 3.2Å; Q196-N199 PolarHBondContact OE1-ND2 3.39Å; N199-D201 PolarHBondContact O-N 3.25Å; N199-Q202 WeakPolarHBondContact O-CB 3.31Å; N199-Q202 PolarHBondContact O-N 3.34Å; N199-Q202 PolarHBondContact OD1-NE2 3.48Å
200	T	60.6	Low	62.7	Low	21 Å²	21	84.3 Å²	84.3	13%	0.129	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-28.1	-176.3	56.5	0	0	0	0	112.9	A197 E644 S653	A197-T200 PolarHBondContact O-OG1 2.89Å; T200-E644 WeakPolarHBondContact CG2-OE1 3.26Å; T200-S653 WeakPolarHBondContact O-CB 3.47Å
201	D	67.8	Low	65.4	Low	25 Å²	25	82.8 Å²	82.8	13%	0.134	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	10.2	176	-72.2	1.7	0	0	0	112.5	R76 R77 N199 R641	R76-D201 HydrophobicContact CG-CB 4.42Å; R77-D201 PolarHBondContact N-OD2 2.9Å; N199-D201 PolarHBondContact O-N 3.25Å; D201-R641 IonicContact OD1-CZ 2.78Å; D201-R641 IonicContact OD1-NH1 3.75Å; D201-R641 IonicContact OD1-NH2 3.12Å; D201-R641 PolarHBondContact OD1-NH2 2.78Å
202	Q	72.4	Confident	68.4	Low	86 Å²	86	73 Å²	73	40%	0.402	41%	0.407	S	S	.	.	S	Bend	trans	-100.4	167.8	172.5	-60.5	-179.4	24.7	0	0	110.8	G198 N199 M204	G198-Q202 PolarHBondContact O-NE2 3.46Å; N199-Q202 WeakPolarHBondContact O-CB 3.31Å; N199-Q202 PolarHBondContact O-N 3.34Å; N199-Q202 PolarHBondContact OD1-NE2 3.48Å; Q202-M204 PolarHBondContact O-N 2.99Å
203	I	80.4	Confident	71.4	Confident	113 Å²	113	68.7 Å²	68.7	58%	0.579	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-66.2	118.9	172.2	-57.4	174.6	0	0	0	108.1	Q70 T72	Q70-I203 HydrophobicContact CB-CG2 4.41Å; T72-I203 HydrophobicContact CG2-CD1 3.95Å
204	M	85.5	Confident	74.5	Confident	25 Å²	25	57.9 Å²	57.9	12%	0.123	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-90.7	147.9	179.7	-67.2	177.6	72.5	0	0	111.1	Q70 Q202 Q208 L209 M212 A655	Q70-M204 PolarHBondContact NE2-O 3.48Å; Q202-M204 PolarHBondContact O-N 2.99Å; M204-Q208 HydrophobicContact CB-CB 4.07Å; M204-Q208 HydrophobicContact CE-CB 3.58Å; M204-Q208 WeakPolarHBondContact CE-O 3.36Å; M204-L209 HydrophobicContact CB-CD2 4.1Å; M204-L209 HydrophobicContact CB-CG 4.28Å; M204-M212 HydrophobicContact CE-CB 4.32Å; M204-M212 HydrophobicContact CE-SD 4.29Å; M204-M212 HydrophobicContact SD-SD 4.27Å; M204-A655 HydrophobicContact CB-CB 4.27Å; M204-A655 HydrophobicContact CG-CB 4.04Å; M204-A655 HydrophobicContact SD-CB 3.39Å; M204-A655 WeakPolarHBondContact SD-CB 3.22Å
205	T	89	Confident	77.4	Confident	76 Å²	76	60.1 Å²	60.1	47%	0.466	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-74.8	164.3	170	69.9	0	0	0	0	110.9	E207 Q208 L209	T205-E207 VanDerWaalsContact C-N 3.27Å; T205-E207 PolarHBondContact O-N 2.89Å; T205-Q208 PolarHBondContact O-N 3.44Å; T205-Q208 VanDerWaalsContact O-N 3.15Å; T205-Q208 WeakPolarHBondContact OG1-CG 3.42Å; T205-Q208 PolarHBondContact OG1-N 3.32Å; T205-L209 WeakPolarHBondContact O-CG 3.22Å; T205-L209 PolarHBondContact O-N 2.91Å
206	N	88.8	Confident	80.4	Confident	64 Å²	64	53.7 Å²	53.7	34%	0.342	29%	0.294	S	S	.	.	H	α-helix	trans	-58.5	-37.9	177.5	-70.9	1.6	0	0	0	112.5	I62 L209 Y210	I62-N206 HydrophobicContact CG2-CB 3.93Å; I62-N206 PolarHBondContact O-ND2 2.79Å; N206-L209 WeakPolarHBondContact O-CB 3.1Å; N206-L209 PolarHBondContact O-N 3.36Å; N206-Y210 HydrophobicContact CB-CE2 4.34Å; N206-Y210 WeakPolarHBondContact O-CD2 3.47Å; N206-Y210 PolarHBondContact O-N 3.34Å
207	E	90.2	Very high	82.8	Confident	139 Å²	139	48.8 Å²	48.8	65%	0.65	27%	0.271	S	S	*	.	H	α-helix	trans	-60.4	-46.4	175.5	-66.8	-177.2	165.8	0	0	111.7	T205 L209 Y210 D211	T205-E207 VanDerWaalsContact C-N 3.27Å; T205-E207 PolarHBondContact O-N 2.89Å; E207-L209 VanDerWaalsContact C-N 3.27Å; E207-L209 PolarHBondContact O-N 2.86Å; E207-Y210 PolarHBondContact O-N 2.92Å; E207-D211 PolarHBondContact O-N 3.4Å
208	Q	92.5	Very high	85	Confident	52 Å²	52	49.1 Å²	49.1	24%	0.243	28%	0.278	C	S	.	.	H	α-helix	trans	-64.5	-32.9	177.5	-65.7	175.8	-50.6	0	0	112.1	M204 T205 M212	M204-Q208 HydrophobicContact CB-CB 4.07Å; M204-Q208 HydrophobicContact CE-CB 3.58Å; M204-Q208 WeakPolarHBondContact CE-O 3.36Å; T205-Q208 PolarHBondContact O-N 3.44Å; T205-Q208 VanDerWaalsContact O-N 3.15Å; T205-Q208 WeakPolarHBondContact OG1-CG 3.42Å; T205-Q208 PolarHBondContact OG1-N 3.32Å; Q208-M212 WeakPolarHBondContact O-CB 3.26Å; Q208-M212 PolarHBondContact O-N 2.66Å
209	L	93.6	Very high	87.2	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.1	-42.5	173.8	-67.1	175.4	0	0	0	111.8	I62 M204 T205 N206 E207 M212 F213 A655 F658 V659	I62-L209 HydrophobicContact CD1-CB 3.85Å; I62-L209 HydrophobicContact CG1-CB 4.09Å; I62-L209 HydrophobicContact CG1-CD1 4.47Å; I62-L209 HydrophobicContact CG2-CB 4.01Å; I62-L209 HydrophobicContact CG2-CD1 4.22Å; M204-L209 HydrophobicContact CB-CD2 4.1Å; M204-L209 HydrophobicContact CB-CG 4.28Å; T205-L209 WeakPolarHBondContact O-CG 3.22Å; T205-L209 PolarHBondContact O-N 2.91Å; N206-L209 WeakPolarHBondContact O-CB 3.1Å; N206-L209 PolarHBondContact O-N 3.36Å; E207-L209 VanDerWaalsContact C-N 3.27Å; E207-L209 PolarHBondContact O-N 2.86Å; L209-M212 HydrophobicContact CD2-CE 4.22Å; L209-M212 PolarHBondContact O-N 3.25Å; L209-F213 WeakPolarHBondContact O-CD2 3.28Å; L209-F213 PolarHBondContact O-N 3.5Å; L209-A655 HydrophobicContact CD2-CB 3.59Å; L209-F658 HydrophobicContact CD1-CD1 3.85Å; L209-F658 HydrophobicContact CD1-CE1 3.54Å; L209-V659 HydrophobicContact CD2-CG2 4.33Å
210	Y	94.6	Very high	89	Confident	17 Å²	17	50.1 Å²	50.1	7%	0.067	27%	0.265	C	S	.	.	H	α-helix	trans	-60.6	-46.6	175.5	-73.9	-60.7	0	0	0	111.5	Y55 A59 I62 A63 N206 E207 M212 F213 Q214 H224 Y228	Y55-Y210 PolarHBondContact OH-O 3.43Å; A59-Y210 HydrophobicContact CB-CE1 3.94Å; A59-Y210 PolarHBondContact O-OH 3.24Å; I62-Y210 HydrophobicContact CB-CD1 4.38Å; I62-Y210 HydrophobicContact CB-CE1 3.82Å; I62-Y210 HydrophobicContact CB-CE2 4.49Å; I62-Y210 HydrophobicContact CD1-CD1 3.85Å; I62-Y210 HydrophobicContact CD1-CE1 4.09Å; I62-Y210 HydrophobicContact CD1-CG 4.42Å; I62-Y210 HydrophobicContact CG2-CD1 4.2Å; I62-Y210 HydrophobicContact CG2-CD2 4.04Å; I62-Y210 HydrophobicContact CG2-CE1 3.82Å; I62-Y210 HydrophobicContact CG2-CE2 3.62Å; I62-Y210 HydrophobicContact CG2-CG 4.3Å; I62-Y210 VanDerWaalsContact CG2-CZ 3.5Å; A63-Y210 WeakPolarHBondContact CA-OH 3.36Å; A63-Y210 WeakPolarHBondContact CB-OH 3.34Å; A63-Y210 PolarHBondContact N-OH 2.84Å; N206-Y210 HydrophobicContact CB-CE2 4.34Å; N206-Y210 WeakPolarHBondContact O-CD2 3.47Å; N206-Y210 PolarHBondContact O-N 3.34Å; E207-Y210 PolarHBondContact O-N 2.92Å; Y210-M212 PolarHBondContact O-N 2.89Å; Y210-F213 PolarHBondContact O-N 2.83Å; Y210-Q214 WeakPolarHBondContact O-CB 3.35Å; Y210-Q214 PolarHBondContact O-N 3.2Å; Y210-H224 AromaticContact CD1-CE1 3.91Å; Y210-H224 AromaticContact CG-CE1 3.84Å; Y210-Y228 HydrophobicContact CD2-CD2 4.29Å; Y210-Y228 HydrophobicContact CD2-CE2 4.08Å; Y210-Y228 HydrophobicContact CE1-CD2 4.42Å; Y210-Y228 AromaticContact CE2-CD2 3.99Å; Y210-Y228 HydrophobicContact CE2-CD2 3.99Å; Y210-Y228 AromaticContact CE2-CE2 3.66Å; Y210-Y228 HydrophobicContact CE2-CE2 3.66Å
211	D	94.3	Very high	90.4	Very high	92 Å²	92	56.8 Å²	56.8	49%	0.492	29%	0.292	S	S	.	.	H	α-helix	trans	-59	-46.4	177.9	-74.3	-21.8	0	0	0	111.4	E207 Q214 L215	E207-D211 PolarHBondContact O-N 3.4Å; D211-Q214 PolarHBondContact O-N 2.9Å; D211-L215 WeakPolarHBondContact O-CG 3.23Å; D211-L215 PolarHBondContact O-N 2.61Å; D211-L215 VanDerWaalsContact O-N 3.12Å
212	M	94.7	Very high	91.5	Very high	7 Å²	7	60 Å²	60	3%	0.034	31%	0.305	C	S	.	.	H	α-helix	trans	-62.7	-50.3	-179.9	-175.6	-179.2	68.9	0	0	111.8	M204 Q208 L209 Y210 Q214 L215 I216 Y640 A655 Q656	M204-M212 HydrophobicContact CE-CB 4.32Å; M204-M212 HydrophobicContact CE-SD 4.29Å; M204-M212 HydrophobicContact SD-SD 4.27Å; Q208-M212 WeakPolarHBondContact O-CB 3.26Å; Q208-M212 PolarHBondContact O-N 2.66Å; L209-M212 HydrophobicContact CD2-CE 4.22Å; L209-M212 PolarHBondContact O-N 3.25Å; Y210-M212 PolarHBondContact O-N 2.89Å; M212-Q214 VanDerWaalsContact C-N 3.33Å; M212-Q214 PolarHBondContact O-N 3.39Å; M212-L215 WeakPolarHBondContact O-CB 3.38Å; M212-L215 PolarHBondContact O-N 3.45Å; M212-I216 HydrophobicContact CG-CD1 3.86Å; M212-I216 VanDerWaalsContact O-CG1 3.32Å; M212-I216 WeakPolarHBondContact O-CG1 3.4Å; M212-I216 PolarHBondContact O-N 2.72Å; M212-Y640 HydrophobicContact CG-CE1 4.18Å; M212-A655 HydrophobicContact CE-CB 4.08Å; M212-Q656 HydrophobicContact CE-CG 3.78Å; M212-Q656 HydrophobicContact SD-CG 4.01Å
213	F	96.8	Very high	92.4	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-74.4	-24.6	-178.4	-82.4	-79.9	0	0	0	113.3	Y55 V58 I62 L209 Y210 L215 I216 L217 L633 V659	Y55-F213 HydrophobicContact CE2-CB 4.21Å; V58-F213 HydrophobicContact CG1-CB 3.76Å; V58-F213 HydrophobicContact CG1-CD1 3.92Å; V58-F213 HydrophobicContact CG1-CD2 4.23Å; V58-F213 HydrophobicContact CG1-CG 3.69Å; I62-F213 HydrophobicContact CD1-CD2 4.32Å; L209-F213 WeakPolarHBondContact O-CD2 3.28Å; L209-F213 PolarHBondContact O-N 3.5Å; Y210-F213 PolarHBondContact O-N 2.83Å; F213-L215 VanDerWaalsContact C-N 3.32Å; F213-I216 HydrophobicContact CD1-CD1 4.01Å; F213-I216 HydrophobicContact CE1-CD1 4.03Å; F213-I216 HydrophobicContact CG-CD1 4.42Å; F213-I216 HydrophobicContact CZ-CD1 4.45Å; F213-L217 WeakPolarHBondContact O-CB 3.46Å; F213-L217 PolarHBondContact O-N 3.36Å; F213-L633 HydrophobicContact CD1-CD1 4Å; F213-L633 HydrophobicContact CE1-CD1 3.92Å; F213-V659 HydrophobicContact CD1-CG1 4.47Å; F213-V659 HydrophobicContact CD2-CB 4.31Å; F213-V659 HydrophobicContact CD2-CG1 4.14Å; F213-V659 HydrophobicContact CD2-CG2 4.01Å; F213-V659 HydrophobicContact CE1-CB 4.42Å; F213-V659 HydrophobicContact CE1-CG1 3.98Å; F213-V659 HydrophobicContact CE2-CB 3.41Å; F213-V659 VanDerWaalsContact CE2-CB 3.41Å; F213-V659 HydrophobicContact CE2-CG1 3.6Å; F213-V659 HydrophobicContact CE2-CG2 3.35Å; F213-V659 HydrophobicContact CZ-CB 3.48Å; F213-V659 VanDerWaalsContact CZ-CB 3.48Å; F213-V659 HydrophobicContact CZ-CG1 3.52Å; F213-V659 HydrophobicContact CZ-CG2 4Å
214	Q	95.4	Very high	93	Very high	28 Å²	28	51.6 Å²	51.6	13%	0.131	26%	0.264	C	S	.	.	H	α-helix	trans	-61.5	-44.7	169	-175.9	-166.7	-14.4	0	0	110.1	Y55 Y210 D211 M212 G218 V219 K221 H224	Y55-Q214 HydrophobicContact CE2-CB 4.2Å; Y210-Q214 WeakPolarHBondContact O-CB 3.35Å; Y210-Q214 PolarHBondContact O-N 3.2Å; D211-Q214 PolarHBondContact O-N 2.9Å; M212-Q214 VanDerWaalsContact C-N 3.33Å; M212-Q214 PolarHBondContact O-N 3.39Å; Q214-G218 PolarHBondContact O-N 3.44Å; Q214-V219 HydrophobicContact CG-CB 3.98Å; Q214-V219 HydrophobicContact CG-CG1 4.43Å; Q214-V219 WeakPolarHBondContact CG-O 3.23Å; Q214-V219 PolarHBondContact NE2-O 3.37Å; Q214-V219 PolarHBondContact O-N 2.87Å; Q214-K221 VanDerWaalsContact NE2-CA 3.29Å; Q214-H224 HydrophobicContact CG-CB 4.34Å
215	L	95.6	Very high	93.2	Very high	117 Å²	117	54.4 Å²	54.4	61%	0.613	28%	0.276	S	S	*	.	H	α-helix	trans	-66.6	-47.1	176.6	-70.5	170.3	0	0	0	112.1	D211 M212 F213 L217 G218 Y640	D211-L215 WeakPolarHBondContact O-CG 3.23Å; D211-L215 PolarHBondContact O-N 2.61Å; D211-L215 VanDerWaalsContact O-N 3.12Å; M212-L215 WeakPolarHBondContact O-CB 3.38Å; M212-L215 PolarHBondContact O-N 3.45Å; F213-L215 VanDerWaalsContact C-N 3.32Å; L215-L217 VanDerWaalsContact C-N 3.31Å; L215-L217 PolarHBondContact O-N 2.84Å; L215-G218 PolarHBondContact O-N 3.33Å; L215-Y640 HydrophobicContact CB-CE2 4.29Å
216	I	96.8	Very high	93.1	Very high	12 Å²	12	51.5 Å²	51.5	6%	0.062	26%	0.258	C	S	.	.	H	α-helix	trans	-57	-44.3	179.7	-70.3	167.4	0	0	0	111.5	M212 F213 L636 T637 Y640	M212-I216 HydrophobicContact CG-CD1 3.86Å; M212-I216 VanDerWaalsContact O-CG1 3.32Å; M212-I216 WeakPolarHBondContact O-CG1 3.4Å; M212-I216 PolarHBondContact O-N 2.72Å; F213-I216 HydrophobicContact CD1-CD1 4.01Å; F213-I216 HydrophobicContact CE1-CD1 4.03Å; F213-I216 HydrophobicContact CG-CD1 4.42Å; F213-I216 HydrophobicContact CZ-CD1 4.45Å; I216-L636 HydrophobicContact CG2-CB 3.78Å; I216-T637 HydrophobicContact CD1-CG2 4.27Å; I216-Y640 HydrophobicContact CD1-CD1 4.13Å; I216-Y640 HydrophobicContact CD1-CG 4.16Å; I216-Y640 HydrophobicContact CG1-CD1 3.99Å; I216-Y640 HydrophobicContact CG1-CD2 3.73Å; I216-Y640 HydrophobicContact CG1-CE2 4.37Å; I216-Y640 HydrophobicContact CG1-CG 3.52Å
217	L	97	Very high	93.2	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-0.9	-177.4	-71	160.7	0	0	0	113.4	R51 I54 Y55 V58 F213 L215 V219 L633 L636	R51-L217 HydrophobicContact CB-CD2 4.47Å; R51-L217 WeakPolarHBondContact CD-O 3.31Å; I54-L217 HydrophobicContact CB-CD2 4.2Å; I54-L217 HydrophobicContact CG2-CD1 3.96Å; I54-L217 HydrophobicContact CG2-CD2 3.79Å; Y55-L217 HydrophobicContact CD2-CD1 3.75Å; Y55-L217 HydrophobicContact CG-CD1 4.4Å; V58-L217 HydrophobicContact CG2-CD1 4.29Å; F213-L217 WeakPolarHBondContact O-CB 3.46Å; F213-L217 PolarHBondContact O-N 3.36Å; L215-L217 VanDerWaalsContact C-N 3.31Å; L215-L217 PolarHBondContact O-N 2.84Å; L217-V219 VanDerWaalsContact C-N 3.31Å; L217-V219 HydrophobicContact CB-CG2 3.98Å; L217-V219 PolarHBondContact O-N 3.45Å; L217-L633 HydrophobicContact CD1-CD1 3.99Å; L217-L633 HydrophobicContact CD2-CD1 4.13Å; L217-L633 HydrophobicContact CG-CD1 4.22Å; L217-L636 HydrophobicContact CD2-CD1 3.8Å
218	G	94.7	Very high	93	Very high	52 Å²	52	44.7 Å²	44.7	54%	0.536	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	31.8	179.6	0	0	0	0	0	114.1	Q214 L215	Q214-G218 PolarHBondContact O-N 3.44Å; L215-G218 PolarHBondContact O-N 3.33Å
219	V	94.4	Very high	92.7	Very high	8 Å²	8	46 Å²	46	5%	0.048	23%	0.23	C	C	.	.			trans	-81.7	132.6	-177.7	176.4	0	0	0	0	110.4	L52 Y55 Q214 L217 E223 H224	L52-V219 HydrophobicContact CD2-CG1 4.07Å; L52-V219 HydrophobicContact CD2-CG2 4.26Å; Y55-V219 HydrophobicContact CD1-CB 4.5Å; Y55-V219 HydrophobicContact CD1-CG1 4.05Å; Y55-V219 HydrophobicContact CD1-CG2 4.18Å; Y55-V219 HydrophobicContact CD2-CG2 3.98Å; Y55-V219 HydrophobicContact CE1-CG1 4.23Å; Y55-V219 HydrophobicContact CG-CB 4.39Å; Y55-V219 HydrophobicContact CG-CG1 4.41Å; Y55-V219 HydrophobicContact CG-CG2 3.7Å; Q214-V219 HydrophobicContact CG-CB 3.98Å; Q214-V219 HydrophobicContact CG-CG1 4.43Å; Q214-V219 WeakPolarHBondContact CG-O 3.23Å; Q214-V219 PolarHBondContact NE2-O 3.37Å; Q214-V219 PolarHBondContact O-N 2.87Å; L217-V219 VanDerWaalsContact C-N 3.31Å; L217-V219 HydrophobicContact CB-CG2 3.98Å; L217-V219 PolarHBondContact O-N 3.45Å; V219-E223 HydrophobicContact CG1-CB 3.78Å; V219-H224 HydrophobicContact CG1-CB 4.34Å
220	K	93	Very high	92.1	Very high	118 Å²	118	48.2 Å²	48.2	51%	0.513	25%	0.249	S	C	.	.			trans	-73.1	150	-179.8	-61.1	177.3	-177.3	171.4	0	110.2	F222 E223 H224	K220-F222 VanDerWaalsContact C-N 3.27Å; K220-F222 HydrophobicContact CB-CD1 3.86Å; K220-F222 HydrophobicContact CB-CE1 3.71Å; K220-F222 HydrophobicContact CD-CD1 4.45Å; K220-F222 HydrophobicContact CD-CE1 3.58Å; K220-F222 HydrophobicContact CD-CZ 4.27Å; K220-F222 HydrophobicContact CG-CE1 4.29Å; K220-F222 PolarHBondContact O-N 2.7Å; K220-E223 HydrophobicContact CB-CG 4.08Å; K220-E223 WeakPolarHBondContact CB-OE2 3.37Å; K220-E223 PolarHBondContact N-OE2 3.21Å; K220-E223 WeakPolarHBondContact O-CB 3.37Å; K220-E223 PolarHBondContact O-N 3.31Å; K220-H224 PolarHBondContact O-N 3.39Å
221	K	90.8	Very high	91.5	Very high	161 Å²	161	48.1 Å²	48.1	70%	0.7	25%	0.25	S	C	*	.	H	α-helix	trans	-57.1	-37	-176.3	-170.6	172	-177.5	172.9	0	113.7	Q214 Q225	Q214-K221 VanDerWaalsContact NE2-CA 3.29Å; K221-Q225 WeakPolarHBondContact O-CB 3.32Å; K221-Q225 PolarHBondContact O-N 2.78Å
222	F	90.3	Very high	90.5	Very high	93 Å²	93	48 Å²	48	41%	0.408	25%	0.246	S	C	.	.	H	α-helix	trans	-70.7	-34.2	177.1	79.4	-94.1	0	0	0	112.4	K220 Q225 L226 L611 I613	K220-F222 VanDerWaalsContact C-N 3.27Å; K220-F222 HydrophobicContact CB-CD1 3.86Å; K220-F222 HydrophobicContact CB-CE1 3.71Å; K220-F222 HydrophobicContact CD-CD1 4.45Å; K220-F222 HydrophobicContact CD-CE1 3.58Å; K220-F222 HydrophobicContact CD-CZ 4.27Å; K220-F222 HydrophobicContact CG-CE1 4.29Å; K220-F222 PolarHBondContact O-N 2.7Å; F222-Q225 PolarHBondContact O-N 3.25Å; F222-L226 HydrophobicContact CD2-CD1 4.15Å; F222-L226 WeakPolarHBondContact O-CG 3.42Å; F222-L226 PolarHBondContact O-N 3.2Å; F222-L611 HydrophobicContact CD2-CD1 4.24Å; F222-L611 HydrophobicContact CE2-CD1 3.94Å; F222-I613 HydrophobicContact CE2-CD1 4.32Å
223	E	92.1	Very high	89.3	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.009	26%	0.255	C	S	.	.	H	α-helix	trans	-68.1	-45.7	176.9	-60.5	165.8	163.8	0	0	109.6	R48 L52 V219 K220 Q225 L226 I227 I613	R48-E223 IonicContact CZ-OE1 3.81Å; R48-E223 IonicContact NE-OE1 3.08Å; R48-E223 PolarHBondContact NE-OE1 3.22Å; R48-E223 IonicContact NH2-OE1 3.77Å; R48-E223 PolarHBondContact NH2-OE1 2.65Å; L52-E223 HydrophobicContact CD2-CB 4Å; L52-E223 HydrophobicContact CD2-CG 4.33Å; V219-E223 HydrophobicContact CG1-CB 3.78Å; K220-E223 HydrophobicContact CB-CG 4.08Å; K220-E223 WeakPolarHBondContact CB-OE2 3.37Å; K220-E223 PolarHBondContact N-OE2 3.21Å; K220-E223 WeakPolarHBondContact O-CB 3.37Å; K220-E223 PolarHBondContact O-N 3.31Å; E223-Q225 VanDerWaalsContact C-N 3.34Å; E223-Q225 PolarHBondContact O-N 3.22Å; E223-L226 PolarHBondContact O-N 2.74Å; E223-I227 WeakPolarHBondContact O-CG1 3.12Å; E223-I227 PolarHBondContact O-N 2.76Å; E223-I613 HydrophobicContact CB-CD1 4.19Å; E223-I613 HydrophobicContact CG-CD1 3.96Å
224	H	92.2	Very high	87.9	Confident	20 Å²	20	56.4 Å²	56.4	9%	0.093	29%	0.291	C	S	.	.	H	α-helix	trans	-53.9	-50.7	170.4	167.1	68.5	0	0	0	110.9	Y55 Y210 Q214 V219 K220 L226 I227 Y228	Y55-H224 HydrophobicContact CE1-CB 4.25Å; Y55-H224 AromaticContact CE1-ND1 3.66Å; Y55-H224 AromaticContact CZ-ND1 3.58Å; Y55-H224 PolarHBondContact OH-CE1 3.24Å; Y55-H224 PolarHBondContact OH-ND1 2.67Å; Y210-H224 AromaticContact CD1-CE1 3.91Å; Y210-H224 AromaticContact CG-CE1 3.84Å; Q214-H224 HydrophobicContact CG-CB 4.34Å; V219-H224 HydrophobicContact CG1-CB 4.34Å; K220-H224 PolarHBondContact O-N 3.39Å; H224-L226 VanDerWaalsContact C-N 3.3Å; H224-L226 PolarHBondContact O-N 3.25Å; H224-I227 PolarHBondContact O-N 3.5Å; H224-Y228 AromaticContact CE1-CD2 3.93Å; H224-Y228 WeakPolarHBondContact O-CB 3.42Å; H224-Y228 PolarHBondContact O-N 3.31Å
225	Q	90.1	Very high	86.8	Confident	83 Å²	83	57.1 Å²	57.1	39%	0.388	30%	0.296	S	S	.	.	H	α-helix	trans	-60.3	-39.6	-178.1	-168.7	67	59	0	0	112.5	K221 F222 E223 N229	K221-Q225 WeakPolarHBondContact O-CB 3.32Å; K221-Q225 PolarHBondContact O-N 2.78Å; F222-Q225 PolarHBondContact O-N 3.25Å; E223-Q225 VanDerWaalsContact C-N 3.34Å; E223-Q225 PolarHBondContact O-N 3.22Å; Q225-N229 PolarHBondContact NE2-OD1 2.94Å; Q225-N229 VanDerWaalsContact O-CB 3.26Å; Q225-N229 WeakPolarHBondContact O-CB 3.22Å; Q225-N229 PolarHBondContact O-N 3.33Å; Q225-N229 PolarHBondContact O-ND2 3.15Å; Q225-N229 PolarHBondContact O-OD1 3.47Å
226	L	88	Confident	85.6	Confident	16 Å²	16	54.5 Å²	54.5	8%	0.084	29%	0.285	C	S	.	.	H	α-helix	trans	-66	-46	176.9	-71.4	168.7	0	0	0	111.5	F222 E223 H224 A230 Q607 A608 L611 I613	F222-L226 HydrophobicContact CD2-CD1 4.15Å; F222-L226 WeakPolarHBondContact O-CG 3.42Å; F222-L226 PolarHBondContact O-N 3.2Å; E223-L226 PolarHBondContact O-N 2.74Å; H224-L226 VanDerWaalsContact C-N 3.3Å; H224-L226 PolarHBondContact O-N 3.25Å; L226-A230 VanDerWaalsContact O-CB 3.3Å; L226-A230 WeakPolarHBondContact O-CB 3.07Å; L226-A230 PolarHBondContact O-N 2.97Å; L226-Q607 HydrophobicContact CD2-CB 4.33Å; L226-Q607 HydrophobicContact CD2-CG 4.48Å; L226-A608 HydrophobicContact CD2-CB 4.48Å; L226-L611 HydrophobicContact CD1-CD1 3.84Å; L226-I613 HydrophobicContact CD1-CD1 3.7Å
227	I	89.4	Confident	84.4	Confident	1 Å²	1	55 Å²	55	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-64.9	-46.2	177.5	-67.5	167.8	0	0	0	110.5	L52 Y55 V56 A59 E223 H224 N229 A230 L231 I613 I617	L52-I227 HydrophobicContact CD2-CD1 4.31Å; Y55-I227 HydrophobicContact CD1-CD1 3.82Å; Y55-I227 HydrophobicContact CD1-CG2 4.4Å; Y55-I227 HydrophobicContact CE1-CD1 4.5Å; V56-I227 HydrophobicContact CG2-CD1 3.89Å; V56-I227 HydrophobicContact CG2-CG1 4.15Å; V56-I227 HydrophobicContact CG2-CG2 4.14Å; A59-I227 HydrophobicContact CB-CG2 4.16Å; E223-I227 WeakPolarHBondContact O-CG1 3.12Å; E223-I227 PolarHBondContact O-N 2.76Å; H224-I227 PolarHBondContact O-N 3.5Å; I227-N229 PolarHBondContact O-N 3.2Å; I227-A230 PolarHBondContact O-N 3.44Å; I227-L231 HydrophobicContact CG2-CD1 3.63Å; I227-L231 HydrophobicContact CG2-CG 4.2Å; I227-L231 WeakPolarHBondContact O-CB 3.34Å; I227-L231 VanDerWaalsContact O-CG 3.25Å; I227-L231 WeakPolarHBondContact O-CG 3.31Å; I227-L231 PolarHBondContact O-N 3.12Å; I227-I613 HydrophobicContact CD1-CG2 4.4Å; I227-I613 HydrophobicContact CG1-CG2 3.92Å; I227-I617 HydrophobicContact CG1-CD1 4.45Å; I227-I617 HydrophobicContact CG1-CG1 4.43Å
228	Y	87.3	Confident	83.3	Confident	59 Å²	59	57.5 Å²	57.5	23%	0.231	30%	0.3	C	S	.	.	H	α-helix	trans	-58.2	-49.2	178.5	179.9	-93.8	0	0	0	111.1	Y210 H224 A230 L231 Q232	Y210-Y228 HydrophobicContact CD2-CD2 4.29Å; Y210-Y228 HydrophobicContact CD2-CE2 4.08Å; Y210-Y228 HydrophobicContact CE1-CD2 4.42Å; Y210-Y228 AromaticContact CE2-CD2 3.99Å; Y210-Y228 HydrophobicContact CE2-CD2 3.99Å; Y210-Y228 AromaticContact CE2-CE2 3.66Å; Y210-Y228 HydrophobicContact CE2-CE2 3.66Å; H224-Y228 AromaticContact CE1-CD2 3.93Å; H224-Y228 WeakPolarHBondContact O-CB 3.42Å; H224-Y228 PolarHBondContact O-N 3.31Å; Y228-A230 VanDerWaalsContact C-N 3.35Å; Y228-A230 PolarHBondContact O-N 3.38Å; Y228-L231 PolarHBondContact O-N 3.49Å; Y228-Q232 HydrophobicContact CD1-CG 4.27Å; Y228-Q232 HydrophobicContact CE1-CG 3.93Å; Y228-Q232 VanDerWaalsContact CZ-NE2 3.31Å; Y228-Q232 WeakPolarHBondContact O-CG 3.48Å; Y228-Q232 PolarHBondContact O-N 2.96Å; Y228-Q232 PolarHBondContact OH-NE2 3.49Å
229	N	85.5	Confident	82.6	Confident	78 Å²	78	57.5 Å²	57.5	42%	0.417	29%	0.286	S	S	.	.	H	α-helix	trans	-63.7	-38.7	177.4	-69.8	-7.3	0	0	0	112.4	Q225 I227 L231	Q225-N229 PolarHBondContact NE2-OD1 2.94Å; Q225-N229 VanDerWaalsContact O-CB 3.26Å; Q225-N229 WeakPolarHBondContact O-CB 3.22Å; Q225-N229 PolarHBondContact O-N 3.33Å; Q225-N229 PolarHBondContact O-ND2 3.15Å; Q225-N229 PolarHBondContact O-OD1 3.47Å; I227-N229 PolarHBondContact O-N 3.2Å; N229-L231 VanDerWaalsContact C-N 3.32Å
230	A	81.7	Confident	81.9	Confident	47 Å²	47	57.3 Å²	57.3	39%	0.388	29%	0.285	S	S	.	.	H	α-helix	trans	-72.5	-28.1	179	0	0	0	0	0	112.7	L226 I227 Y228 I617	L226-A230 VanDerWaalsContact O-CB 3.3Å; L226-A230 WeakPolarHBondContact O-CB 3.07Å; L226-A230 PolarHBondContact O-N 2.97Å; I227-A230 PolarHBondContact O-N 3.44Å; Y228-A230 VanDerWaalsContact C-N 3.35Å; Y228-A230 PolarHBondContact O-N 3.38Å; A230-I617 HydrophobicContact CB-CD1 3.63Å; A230-I617 HydrophobicContact CB-CG1 4.41Å; A230-I617 HydrophobicContact CB-CG2 4.07Å
231	L	81.8	Confident	81.4	Confident	16 Å²	16	51.9 Å²	51.9	8%	0.084	26%	0.262	C	S	.	.	H	α-helix	trans	-87.2	-20.4	177.9	-68.2	178.3	0	0	0	112.8	A59 R60 Y64 I227 Y228 N229 L233	A59-L231 HydrophobicContact CB-CD1 3.5Å; A59-L231 VanDerWaalsContact CB-CD1 3.5Å; R60-L231 HydrophobicContact CG-CD1 4.04Å; R60-L231 HydrophobicContact CG-CD2 3.79Å; Y64-L231 PolarHBondContact OH-O 2.88Å; I227-L231 HydrophobicContact CG2-CD1 3.63Å; I227-L231 HydrophobicContact CG2-CG 4.2Å; I227-L231 WeakPolarHBondContact O-CB 3.34Å; I227-L231 VanDerWaalsContact O-CG 3.25Å; I227-L231 WeakPolarHBondContact O-CG 3.31Å; I227-L231 PolarHBondContact O-N 3.12Å; Y228-L231 PolarHBondContact O-N 3.49Å; N229-L231 VanDerWaalsContact C-N 3.32Å; L231-L233 PolarHBondContact O-N 3.43Å
232	Q	73.8	Confident	80.9	Confident	89 Å²	89	45.2 Å²	45.2	42%	0.416	24%	0.237	S	C	.	.			trans	-58.6	108.7	179.7	-89.5	-165.3	-22	0	0	112	Y228	Y228-Q232 HydrophobicContact CD1-CG 4.27Å; Y228-Q232 HydrophobicContact CE1-CG 3.93Å; Y228-Q232 VanDerWaalsContact CZ-NE2 3.31Å; Y228-Q232 WeakPolarHBondContact O-CG 3.48Å; Y228-Q232 PolarHBondContact O-N 2.96Å; Y228-Q232 PolarHBondContact OH-NE2 3.49Å
233	L	69.4	Low	80.6	Confident	41 Å²	41	41.1 Å²	41.1	22%	0.215	22%	0.22	C	C	.	.			trans	-112.7	98	168	-61	172.4	0	0	0	105.5	Y64 L231 N235 E238 Q239 A242	Y64-L233 HydrophobicContact CE1-CB 4.45Å; Y64-L233 HydrophobicContact CE2-CD1 4.04Å; Y64-L233 HydrophobicContact CE2-CG 4.46Å; Y64-L233 WeakPolarHBondContact OH-CB 3.43Å; Y64-L233 PolarHBondContact OH-N 3.2Å; L231-L233 PolarHBondContact O-N 3.43Å; L233-N235 PolarHBondContact O-N 3.31Å; L233-E238 HydrophobicContact CB-CB 4.25Å; L233-E238 HydrophobicContact CD1-CB 4.37Å; L233-E238 HydrophobicContact CD2-CB 4.23Å; L233-Q239 HydrophobicContact CB-CG 3.82Å; L233-Q239 HydrophobicContact CD1-CG 4.49Å; L233-Q239 PolarHBondContact O-NE2 2.81Å; L233-A242 HydrophobicContact CD1-CB 4.04Å
234	D	67	Low	80.2	Confident	143 Å²	143	41.2 Å²	41.2	77%	0.765	22%	0.22	S	C	*	.			trans	-66	-20.7	-177.6	-63.6	-31.1	0	0	0	112.3	P236	D234-P236 WeakPolarHBondContact O-CD 3.45Å
235	N	70.9	Confident	79.8	Confident	43 Å²	43	43.7 Å²	43.7	23%	0.23	23%	0.229	C	C	.	.	S	Bend	trans	-94.1	116.6	-179	-175	-5.5	0	0	0	111.2	L233 D237 E238 Q239	L233-N235 PolarHBondContact O-N 3.31Å; N235-D237 PolarHBondContact O-N 3.41Å; N235-D237 WeakPolarHBondContact OD1-CB 3.36Å; N235-D237 PolarHBondContact OD1-N 3.04Å; N235-E238 HydrophobicContact CB-CB 4.27Å; N235-E238 HydrophobicContact CB-CG 4.06Å; N235-E238 WeakPolarHBondContact O-CB 3.48Å; N235-E238 PolarHBondContact O-N 3.21Å; N235-Q239 WeakPolarHBondContact O-CG 3.37Å; N235-Q239 PolarHBondContact O-N 3.26Å; N235-Q239 VanDerWaalsContact O-N 3.16Å
236	P	71	Confident	79.5	Confident	61 Å²	61	40.4 Å²	40.4	40%	0.396	21%	0.213	S	C	.	.	H	α-helix	trans	-50.1	-33.2	174	-26.9	34.3	0	0	0	114.1	D234 E238 Q239 A240	D234-P236 WeakPolarHBondContact O-CD 3.45Å; P236-E238 VanDerWaalsContact C-N 3.34Å; P236-E238 PolarHBondContact O-N 3.42Å; P236-Q239 WeakPolarHBondContact O-CB 3.4Å; P236-Q239 PolarHBondContact O-N 3.44Å; P236-A240 WeakPolarHBondContact O-CB 3.33Å; P236-A240 PolarHBondContact O-N 2.9Å
237	D	71.2	Confident	79.4	Confident	22 Å²	22	39.9 Å²	39.9	12%	0.118	21%	0.21	C	C	.	.	H	α-helix	trans	-67.1	-36.8	178.3	-59.2	-26.5	0	0	0	112	N235 A241 K481 Q506	N235-D237 PolarHBondContact O-N 3.41Å; N235-D237 WeakPolarHBondContact OD1-CB 3.36Å; N235-D237 PolarHBondContact OD1-N 3.04Å; D237-A241 VanDerWaalsContact O-CB 3.23Å; D237-A241 WeakPolarHBondContact O-CB 3.07Å; D237-A241 PolarHBondContact O-N 2.7Å; D237-K481 WeakPolarHBondContact OD1-CE 3.39Å; D237-K481 IonicContact OD1-NZ 2.9Å; D237-K481 PolarHBondContact OD1-NZ 3.2Å; D237-K481 WeakPolarHBondContact OD2-CD 3.45Å; D237-K481 WeakPolarHBondContact OD2-CE 3.49Å; D237-K481 IonicContact OD2-NZ 3.63Å; D237-K481 PolarHBondContact OD2-NZ 2.89Å; D237-Q506 PolarHBondContact OD1-OE1 3.48Å
238	E	75.3	Confident	79.1	Confident	55 Å²	55	42.2 Å²	42.2	26%	0.257	22%	0.223	S	C	.	.	H	α-helix	trans	-71.9	-34.9	176.3	-69.5	-170.6	158.2	0	0	111.2	L233 N235 P236 A241 A242 R581	L233-E238 HydrophobicContact CB-CB 4.25Å; L233-E238 HydrophobicContact CD1-CB 4.37Å; L233-E238 HydrophobicContact CD2-CB 4.23Å; N235-E238 HydrophobicContact CB-CB 4.27Å; N235-E238 HydrophobicContact CB-CG 4.06Å; N235-E238 WeakPolarHBondContact O-CB 3.48Å; N235-E238 PolarHBondContact O-N 3.21Å; P236-E238 VanDerWaalsContact C-N 3.34Å; P236-E238 PolarHBondContact O-N 3.42Å; E238-A241 PolarHBondContact O-N 2.94Å; E238-A242 WeakPolarHBondContact O-CB 3.32Å; E238-A242 PolarHBondContact O-N 2.79Å; E238-R581 HydrophobicContact CG-CG 4.38Å; E238-R581 IonicContact OE1-CZ 2.93Å; E238-R581 IonicContact OE1-NE 3.35Å; E238-R581 PolarHBondContact OE1-NE 3.01Å; E238-R581 IonicContact OE1-NH2 3.47Å; E238-R581 PolarHBondContact OE1-NH2 3.04Å
239	Q	78.5	Confident	79	Confident	52 Å²	52	41 Å²	41	24%	0.243	22%	0.223	C	C	.	.	H	α-helix	trans	-61.3	-49.5	172.5	-54.4	177	1.4	0	0	110.5	Y64 L233 N235 P236 A241 A242 I243	Y64-Q239 HydrophobicContact CD1-CB 3.61Å; Y64-Q239 HydrophobicContact CD1-CG 3.33Å; Y64-Q239 VanDerWaalsContact CD1-OE1 3.29Å; Y64-Q239 HydrophobicContact CE1-CB 3.98Å; Y64-Q239 HydrophobicContact CE1-CG 3.21Å; Y64-Q239 VanDerWaalsContact CE1-NE2 3.34Å; Y64-Q239 HydrophobicContact CG-CB 4.01Å; Y64-Q239 HydrophobicContact CG-CG 4.16Å; L233-Q239 HydrophobicContact CB-CG 3.82Å; L233-Q239 HydrophobicContact CD1-CG 4.49Å; L233-Q239 PolarHBondContact O-NE2 2.81Å; N235-Q239 WeakPolarHBondContact O-CG 3.37Å; N235-Q239 PolarHBondContact O-N 3.26Å; N235-Q239 VanDerWaalsContact O-N 3.16Å; P236-Q239 WeakPolarHBondContact O-CB 3.4Å; P236-Q239 PolarHBondContact O-N 3.44Å; Q239-A241 PolarHBondContact O-N 3.45Å; Q239-A242 WeakPolarHBondContact O-CB 3.37Å; Q239-A242 PolarHBondContact O-N 3.5Å; Q239-I243 WeakPolarHBondContact O-CG1 3.19Å; Q239-I243 PolarHBondContact O-N 2.81Å; Q239-I243 VanDerWaalsContact O-N 3.08Å
240	A	80.9	Confident	79	Confident	4 Å²	4	38.2 Å²	38.2	3%	0.033	21%	0.207	C	C	.	.	H	α-helix	trans	-63.5	-40	176.4	0	0	0	0	0	111.9	P236 A242 I243 R244 L291 Q509	P236-A240 WeakPolarHBondContact O-CB 3.33Å; P236-A240 PolarHBondContact O-N 2.9Å; A240-A242 VanDerWaalsContact C-N 3.33Å; A240-A242 PolarHBondContact O-N 3.12Å; A240-I243 PolarHBondContact O-N 3.34Å; A240-R244 WeakPolarHBondContact O-CG 3.44Å; A240-R244 PolarHBondContact O-N 3.47Å; A240-L291 HydrophobicContact CB-CD1 4.45Å; A240-Q509 HydrophobicContact CB-CB 4.09Å; A240-Q509 WeakPolarHBondContact CB-O 3.08Å
241	A	81.2	Confident	79.2	Confident	3 Å²	3	38.7 Å²	38.7	3%	0.025	20%	0.201	C	C	.	.	H	α-helix	trans	-65.2	-32.9	174.3	0	0	0	0	0	112.9	D237 E238 Q239 R245 R581	D237-A241 VanDerWaalsContact O-CB 3.23Å; D237-A241 WeakPolarHBondContact O-CB 3.07Å; D237-A241 PolarHBondContact O-N 2.7Å; E238-A241 PolarHBondContact O-N 2.94Å; Q239-A241 PolarHBondContact O-N 3.45Å; A241-R245 WeakPolarHBondContact O-CG 3.22Å; A241-R245 PolarHBondContact O-N 2.86Å; A241-R245 VanDerWaalsContact O-N 3.12Å; A241-R245 PolarHBondContact O-NE 3.49Å; A241-R245 VanDerWaalsContact O-NE 3.13Å; A241-R581 WeakPolarHBondContact CB-O 3.5Å
242	A	81.2	Confident	79.3	Confident	22 Å²	22	43.5 Å²	43.5	18%	0.182	22%	0.223	C	C	.	.	H	α-helix	trans	-67.6	-40.8	173.2	0	0	0	0	0	111.8	L233 E238 Q239 A240 E246	L233-A242 HydrophobicContact CD1-CB 4.04Å; E238-A242 WeakPolarHBondContact O-CB 3.32Å; E238-A242 PolarHBondContact O-N 2.79Å; Q239-A242 WeakPolarHBondContact O-CB 3.37Å; Q239-A242 PolarHBondContact O-N 3.5Å; A240-A242 VanDerWaalsContact C-N 3.33Å; A240-A242 PolarHBondContact O-N 3.12Å; A242-E246 PolarHBondContact O-N 2.96Å
243	I	83.5	Confident	79.8	Confident	7 Å²	7	43.1 Å²	43.1	4%	0.036	22%	0.222	C	C	.	.	H	α-helix	trans	-65	-42.2	175	-64.4	161.8	0	0	0	110.6	F66 Q239 A240 E246 L247 L291	F66-I243 HydrophobicContact CD1-CD1 3.54Å; F66-I243 HydrophobicContact CD1-CG1 4.29Å; F66-I243 HydrophobicContact CD1-CG2 4.43Å; F66-I243 HydrophobicContact CE1-CB 4.39Å; F66-I243 HydrophobicContact CE1-CD1 3.61Å; F66-I243 HydrophobicContact CE1-CG1 3.85Å; F66-I243 HydrophobicContact CE1-CG2 3.59Å; F66-I243 HydrophobicContact CE2-CG2 4.12Å; F66-I243 HydrophobicContact CG-CD1 4.36Å; F66-I243 HydrophobicContact CZ-CD1 4.47Å; F66-I243 HydrophobicContact CZ-CG2 3.4Å; F66-I243 VanDerWaalsContact CZ-CG2 3.4Å; Q239-I243 WeakPolarHBondContact O-CG1 3.19Å; Q239-I243 PolarHBondContact O-N 2.81Å; Q239-I243 VanDerWaalsContact O-N 3.08Å; A240-I243 PolarHBondContact O-N 3.34Å; I243-E246 WeakPolarHBondContact O-CB 3.42Å; I243-E246 PolarHBondContact O-N 3.14Å; I243-E246 VanDerWaalsContact O-N 3.15Å; I243-L247 HydrophobicContact CG2-CD1 4Å; I243-L247 HydrophobicContact CG2-CG 4.31Å; I243-L247 WeakPolarHBondContact O-CG 3.44Å; I243-L247 PolarHBondContact O-N 3.38Å; I243-L291 HydrophobicContact CB-CD2 4.16Å; I243-L291 HydrophobicContact CD1-CD1 4.19Å; I243-L291 HydrophobicContact CG2-CD2 3.77Å
244	R	84.6	Confident	80.6	Confident	4 Å²	4	41.5 Å²	41.5	2%	0.015	21%	0.214	C	C	.	.	H	α-helix	trans	-59.7	-47.7	176.7	-77.9	-173	-80.8	151.9	13.7	113.4	A240 E246 L247 D248 L291 Q509 Y510 F512 R581 A582	A240-R244 WeakPolarHBondContact O-CG 3.44Å; A240-R244 PolarHBondContact O-N 3.47Å; R244-E246 PolarHBondContact O-N 3.02Å; R244-L247 PolarHBondContact O-N 3.38Å; R244-D248 PolarHBondContact O-N 2.99Å; R244-L291 HydrophobicContact CG-CD2 4.18Å; R244-Q509 PolarHBondContact NE-O 3.24Å; R244-Y510 VanDerWaalsContact CD-O 3.31Å; R244-Y510 WeakPolarHBondContact CD-O 3.28Å; R244-Y510 HydrophobicContact CG-CD2 3.49Å; R244-Y510 VanDerWaalsContact CG-CD2 3.49Å; R244-Y510 HydrophobicContact CG-CE2 3.63Å; R244-Y510 HydrophobicContact CG-CG 4.33Å; R244-Y510 PolarHBondContact NH1-O 3.02Å; R244-Y510 VanDerWaalsContact NH1-O 3.09Å; R244-F512 VanDerWaalsContact NH1-CE2 3.25Å; R244-R581 PolarHBondContact NH2-O 3.44Å; R244-A582 PolarHBondContact NH1-O 3.11Å
245	R	83.5	Confident	81.5	Confident	72 Å²	72	39.8 Å²	39.8	27%	0.272	20%	0.202	S	C	.	.	H	α-helix	trans	-52.5	-42.4	172.6	-78.1	177.9	-82.4	165.8	-1.5	112.6	A241 S249 G584 Q585	A241-R245 WeakPolarHBondContact O-CG 3.22Å; A241-R245 PolarHBondContact O-N 2.86Å; A241-R245 VanDerWaalsContact O-N 3.12Å; A241-R245 PolarHBondContact O-NE 3.49Å; A241-R245 VanDerWaalsContact O-NE 3.13Å; R245-S249 WeakPolarHBondContact O-CB 3.36Å; R245-S249 PolarHBondContact O-N 3.33Å; R245-S249 PolarHBondContact O-OG 3.4Å; R245-G584 WeakPolarHBondContact CG-O 3.44Å; R245-Q585 WeakPolarHBondContact CD-O 3.14Å
246	E	84.3	Confident	82.2	Confident	14 Å²	14	43.2 Å²	43.2	7%	0.065	22%	0.216	C	C	.	.	H	α-helix	trans	-67.3	-38.9	178.9	-170.5	-179.7	171.3	0	0	111.9	A242 I243 R244 R250 P621 R666 Y667	A242-E246 PolarHBondContact O-N 2.96Å; I243-E246 WeakPolarHBondContact O-CB 3.42Å; I243-E246 PolarHBondContact O-N 3.14Å; I243-E246 VanDerWaalsContact O-N 3.15Å; R244-E246 PolarHBondContact O-N 3.02Å; E246-R250 WeakPolarHBondContact O-CD 3.2Å; E246-R250 VanDerWaalsContact O-CG 3.24Å; E246-R250 WeakPolarHBondContact O-CG 3.43Å; E246-R250 PolarHBondContact O-N 2.94Å; E246-R250 PolarHBondContact O-NE 2.95Å; E246-R250 IonicContact OE1-CZ 2.93Å; E246-R250 IonicContact OE1-NH2 2.71Å; E246-R250 PolarHBondContact OE1-NH2 3.39Å; E246-P621 HydrophobicContact CG-CB 4.44Å; E246-R666 IonicContact OE1-NE 3.81Å; E246-R666 IonicContact OE2-CZ 2.91Å; E246-R666 VanDerWaalsContact OE2-CZ 3.3Å; E246-R666 IonicContact OE2-NE 3.12Å; E246-R666 PolarHBondContact OE2-NE 3.03Å; E246-R666 IonicContact OE2-NH2 3.03Å; E246-R666 PolarHBondContact OE2-NH2 2.91Å; E246-Y667 WeakPolarHBondContact OE1-CD1 3.44Å; E246-Y667 WeakPolarHBondContact OE1-CE1 3.5Å
247	L	85.5	Confident	82.9	Confident	4 Å²	4	40.9 Å²	40.9	2%	0.021	20%	0.2	C	C	.	.	H	α-helix	trans	-69.9	-42.2	175.9	-65.7	172.9	0	0	0	112	I243 R244 R250 M251 I284 L287 I288 Y510	I243-L247 HydrophobicContact CG2-CD1 4Å; I243-L247 HydrophobicContact CG2-CG 4.31Å; I243-L247 WeakPolarHBondContact O-CG 3.44Å; I243-L247 PolarHBondContact O-N 3.38Å; R244-L247 PolarHBondContact O-N 3.38Å; L247-R250 WeakPolarHBondContact O-CB 3.36Å; L247-R250 PolarHBondContact O-N 3.49Å; L247-M251 PolarHBondContact O-N 2.98Å; L247-I284 HydrophobicContact CD2-CG2 4.41Å; L247-L287 HydrophobicContact CD2-CB 3.8Å; L247-L287 HydrophobicContact CD2-CD1 3.72Å; L247-L287 HydrophobicContact CD2-CG 4.42Å; L247-I288 HydrophobicContact CD1-CG1 3.91Å; L247-Y510 HydrophobicContact CD1-CE2 4.05Å
248	D	83.3	Confident	83.5	Confident	51 Å²	51	42.1 Å²	42.1	27%	0.273	21%	0.214	S	C	.	.	H	α-helix	trans	-62.3	-45	177.6	-70.5	-25.2	0	0	0	111.5	R244 R250 M251 Q252	R244-D248 PolarHBondContact O-N 2.99Å; D248-R250 PolarHBondContact O-N 3.12Å; D248-M251 WeakPolarHBondContact O-CB 3.16Å; D248-M251 PolarHBondContact O-N 3.18Å; D248-Q252 WeakPolarHBondContact O-CG 3.09Å; D248-Q252 PolarHBondContact O-N 2.8Å
249	S	84.6	Confident	84.1	Confident	33 Å²	33	48 Å²	48	23%	0.231	24%	0.238	C	C	.	.	H	α-helix	trans	-59.3	-32.4	177.6	-55.7	0	0	0	0	111.7	R245 M253	R245-S249 WeakPolarHBondContact O-CB 3.36Å; R245-S249 PolarHBondContact O-N 3.33Å; R245-S249 PolarHBondContact O-OG 3.4Å; S249-M253 PolarHBondContact O-N 3.11Å; S249-M253 VanDerWaalsContact O-N 3.14Å
250	R	86.3	Confident	84.5	Confident	20 Å²	20	48.8 Å²	48.8	8%	0.075	24%	0.244	C	C	.	.	H	α-helix	trans	-77.5	-37.4	175.4	-64.8	163.4	-172.9	-161.9	0.7	112.6	E246 L247 D248 Q252 M253 I254 I284 V622 R666	E246-R250 WeakPolarHBondContact O-CD 3.2Å; E246-R250 VanDerWaalsContact O-CG 3.24Å; E246-R250 WeakPolarHBondContact O-CG 3.43Å; E246-R250 PolarHBondContact O-N 2.94Å; E246-R250 PolarHBondContact O-NE 2.95Å; E246-R250 IonicContact OE1-CZ 2.93Å; E246-R250 IonicContact OE1-NH2 2.71Å; E246-R250 PolarHBondContact OE1-NH2 3.39Å; L247-R250 WeakPolarHBondContact O-CB 3.36Å; L247-R250 PolarHBondContact O-N 3.49Å; D248-R250 PolarHBondContact O-N 3.12Å; R250-Q252 PolarHBondContact O-N 3.08Å; R250-M253 WeakPolarHBondContact O-CB 3.38Å; R250-M253 PolarHBondContact O-N 2.95Å; R250-M253 VanDerWaalsContact O-N 3.16Å; R250-I254 WeakPolarHBondContact O-CG1 3.05Å; R250-I254 PolarHBondContact O-N 3.24Å; R250-I284 HydrophobicContact CB-CD1 3.71Å; R250-V622 HydrophobicContact CG-CG2 3.99Å; R250-R666 PolarHBondContact NH1-O 3.43Å; R250-R666 PolarHBondContact NH2-O 2.8Å
251	M	84.9	Confident	84.5	Confident	56 Å²	56	56.3 Å²	56.3	28%	0.276	27%	0.272	S	S	.	.	H	α-helix	trans	-59.6	-40.1	174.5	-162.4	66.1	78	0	0	110.4	L247 D248 I254 Q255 I284	L247-M251 PolarHBondContact O-N 2.98Å; D248-M251 WeakPolarHBondContact O-CB 3.16Å; D248-M251 PolarHBondContact O-N 3.18Å; M251-I254 PolarHBondContact O-N 2.92Å; M251-I254 HydrophobicContact SD-CD1 4.39Å; M251-Q255 WeakPolarHBondContact O-CG 3.13Å; M251-Q255 PolarHBondContact O-N 3.47Å; M251-Q255 VanDerWaalsContact O-N 3.1Å; M251-I284 HydrophobicContact CE-CB 4.38Å; M251-I284 HydrophobicContact CE-CD1 4.39Å; M251-I284 HydrophobicContact CE-CG2 3.64Å; M251-I284 HydrophobicContact SD-CD1 4.46Å
252	Q	85	Confident	84.5	Confident	117 Å²	117	65.1 Å²	65.1	55%	0.547	31%	0.31	S	S	.	.	H	α-helix	trans	-62.1	-46.1	172.6	-68.4	175.7	5.8	0	0	112	D248 R250 I254 Q255 E256	D248-Q252 WeakPolarHBondContact O-CG 3.09Å; D248-Q252 PolarHBondContact O-N 2.8Å; R250-Q252 PolarHBondContact O-N 3.08Å; Q252-I254 VanDerWaalsContact C-N 3.29Å; Q252-I254 PolarHBondContact O-N 3.33Å; Q252-Q255 WeakPolarHBondContact O-CB 3.24Å; Q252-Q255 PolarHBondContact O-N 3.17Å; Q252-Q255 VanDerWaalsContact O-N 3.08Å; Q252-E256 PolarHBondContact O-N 3.12Å
253	M	84.1	Confident	84.7	Confident	81 Å²	81	68.5 Å²	68.5	40%	0.399	32%	0.324	S	S	.	.	H	α-helix	trans	-58	-39.9	175.4	-174.3	-169.3	179.1	0	0	112.3	S249 R250 Q255 E256 M257 V622	S249-M253 PolarHBondContact O-N 3.11Å; S249-M253 VanDerWaalsContact O-N 3.14Å; R250-M253 WeakPolarHBondContact O-CB 3.38Å; R250-M253 PolarHBondContact O-N 2.95Å; R250-M253 VanDerWaalsContact O-N 3.16Å; M253-Q255 VanDerWaalsContact C-N 3.34Å; M253-Q255 PolarHBondContact O-N 2.84Å; M253-E256 PolarHBondContact O-N 3.3Å; M253-M257 HydrophobicContact CE-SD 4Å; M253-M257 HydrophobicContact CG-CG 4.47Å; M253-M257 HydrophobicContact CG-SD 4.35Å; M253-M257 WeakPolarHBondContact O-CB 3.46Å; M253-M257 VanDerWaalsContact O-CG 3.29Å; M253-M257 WeakPolarHBondContact O-CG 3.36Å; M253-M257 PolarHBondContact O-N 3.32Å; M253-V622 HydrophobicContact CB-CG1 3.82Å; M253-V622 HydrophobicContact CG-CG1 3.98Å; M253-V622 HydrophobicContact SD-CG1 3.38Å; M253-V622 WeakPolarHBondContact SD-CG1 3.39Å
254	I	85.4	Confident	84.7	Confident	7 Å²	7	69.2 Å²	69.2	4%	0.036	33%	0.327	C	S	.	.	H	α-helix	trans	-63.1	-42.2	175.7	-66.2	169.1	0	0	0	111	R250 M251 Q252 E256 M257 A258 L277 V280 R281 I284	R250-I254 WeakPolarHBondContact O-CG1 3.05Å; R250-I254 PolarHBondContact O-N 3.24Å; M251-I254 PolarHBondContact O-N 2.92Å; M251-I254 HydrophobicContact SD-CD1 4.39Å; Q252-I254 VanDerWaalsContact C-N 3.29Å; Q252-I254 PolarHBondContact O-N 3.33Å; I254-E256 VanDerWaalsContact C-N 3.31Å; I254-E256 PolarHBondContact O-N 3.23Å; I254-M257 PolarHBondContact O-N 3.26Å; I254-A258 WeakPolarHBondContact O-CB 3.03Å; I254-A258 PolarHBondContact O-N 2.94Å; I254-L277 HydrophobicContact CG2-CD2 4.12Å; I254-V280 HydrophobicContact CD1-CB 4.12Å; I254-V280 HydrophobicContact CD1-CG1 3.33Å; I254-V280 HydrophobicContact CG1-CB 4.48Å; I254-V280 HydrophobicContact CG1-CG1 3.64Å; I254-R281 HydrophobicContact CD1-CG 4.48Å; I254-R281 HydrophobicContact CG2-CG 4.45Å; I254-I284 HydrophobicContact CD1-CD1 3.36Å; I254-I284 HydrophobicContact CD1-CG1 4.36Å
255	Q	86.1	Confident	84.9	Confident	108 Å²	108	71.1 Å²	71.1	51%	0.505	34%	0.341	S	S	.	.	H	α-helix	trans	-64	-38	176.8	-68.4	175.1	-2.7	0	0	111.6	M251 Q252 M253 A258 K259	M251-Q255 WeakPolarHBondContact O-CG 3.13Å; M251-Q255 PolarHBondContact O-N 3.47Å; M251-Q255 VanDerWaalsContact O-N 3.1Å; Q252-Q255 WeakPolarHBondContact O-CB 3.24Å; Q252-Q255 PolarHBondContact O-N 3.17Å; Q252-Q255 VanDerWaalsContact O-N 3.08Å; M253-Q255 VanDerWaalsContact C-N 3.34Å; M253-Q255 PolarHBondContact O-N 2.84Å; Q255-A258 PolarHBondContact O-N 2.85Å; Q255-K259 WeakPolarHBondContact O-CG 3.13Å; Q255-K259 PolarHBondContact O-N 2.71Å
256	E	86.4	Confident	85.2	Confident	115 Å²	115	75.6 Å²	75.6	54%	0.537	36%	0.362	S	S	.	.	H	α-helix	trans	-65.6	-45.9	173.1	-70.1	-179.6	177.8	0	0	111.8	Q252 M253 I254 A258 K259 D260 L263	Q252-E256 PolarHBondContact O-N 3.12Å; M253-E256 PolarHBondContact O-N 3.3Å; I254-E256 VanDerWaalsContact C-N 3.31Å; I254-E256 PolarHBondContact O-N 3.23Å; E256-A258 VanDerWaalsContact C-N 3.27Å; E256-A258 PolarHBondContact O-N 2.99Å; E256-K259 PolarHBondContact O-N 2.93Å; E256-D260 PolarHBondContact O-N 3.44Å; E256-L263 HydrophobicContact CB-CD1 4.32Å
257	M	84.4	Confident	85.6	Confident	11 Å²	11	75.7 Å²	75.7	5%	0.054	36%	0.362	C	S	.	.	H	α-helix	trans	-61.2	-34.8	175.5	-72.5	-179.5	70.3	0	0	112.6	M253 I254 K259 D260 L263 M264 Y276 L277	M253-M257 HydrophobicContact CE-SD 4Å; M253-M257 HydrophobicContact CG-CG 4.47Å; M253-M257 HydrophobicContact CG-SD 4.35Å; M253-M257 WeakPolarHBondContact O-CB 3.46Å; M253-M257 VanDerWaalsContact O-CG 3.29Å; M253-M257 WeakPolarHBondContact O-CG 3.36Å; M253-M257 PolarHBondContact O-N 3.32Å; I254-M257 PolarHBondContact O-N 3.26Å; M257-K259 VanDerWaalsContact C-N 3.3Å; M257-D260 CarbonylContact O-C 3.54Å; M257-L263 HydrophobicContact CG-CB 3.95Å; M257-M264 HydrophobicContact CE-CG 4.41Å; M257-Y276 HydrophobicContact CE-CD1 4.46Å; M257-Y276 HydrophobicContact CE-CE1 3.72Å; M257-L277 HydrophobicContact CB-CD2 4.36Å
258	A	85.7	Confident	85.8	Confident	49 Å²	49	78.1 Å²	78.1	41%	0.405	38%	0.377	S	S	.	.	H	α-helix	trans	-68.8	-29.3	174.9	0	0	0	0	0	112.4	I254 Q255 E256 L277	I254-A258 WeakPolarHBondContact O-CB 3.03Å; I254-A258 PolarHBondContact O-N 2.94Å; Q255-A258 PolarHBondContact O-N 2.85Å; E256-A258 VanDerWaalsContact C-N 3.27Å; E256-A258 PolarHBondContact O-N 2.99Å; A258-L277 HydrophobicContact CB-CD1 4Å
259	K	87.5	Confident	86	Confident	177 Å²	177	79.1 Å²	79.1	77%	0.77	39%	0.385	S	S	*	.	H	α-helix	trans	-83.4	-42.9	177.1	-70.6	170.9	-176	174.4	0	112.3	Q255 E256 M257	Q255-K259 WeakPolarHBondContact O-CG 3.13Å; Q255-K259 PolarHBondContact O-N 2.71Å; E256-K259 PolarHBondContact O-N 2.93Å; M257-K259 VanDerWaalsContact C-N 3.3Å
260	D	86.7	Confident	86	Confident	70 Å²	70	84.4 Å²	84.4	37%	0.374	40%	0.404	S	S	.	.			trans	-112	99.9	178.9	-173.8	4.3	0	0	0	111.8	E256 M257 K262 L263	E256-D260 PolarHBondContact O-N 3.44Å; M257-D260 CarbonylContact O-C 3.54Å; D260-K262 PolarHBondContact O-N 2.79Å; D260-K262 VanDerWaalsContact OD1-CB 3.26Å; D260-K262 WeakPolarHBondContact OD1-CB 3.34Å; D260-K262 WeakPolarHBondContact OD1-CG 3.06Å; D260-K262 PolarHBondContact OD1-N 2.89Å; D260-L263 HydrophobicContact CB-CD1 4.01Å; D260-L263 HydrophobicContact CB-CG 4.1Å; D260-L263 WeakPolarHBondContact O-CB 3.15Å; D260-L263 PolarHBondContact O-N 2.94Å
261	R	79.5	Confident	85.9	Confident	162 Å²	162	89.1 Å²	89.1	61%	0.611	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-59.6	-20.2	177.2	-61.4	-170.7	-173.1	-149.4	4.1	113.7	L263 M264 E273	R261-L263 PolarHBondContact O-N 3.21Å; R261-M264 WeakPolarHBondContact O-CB 3.48Å; R261-M264 PolarHBondContact O-N 2.92Å; R261-M264 VanDerWaalsContact O-N 3.12Å; R261-E273 IonicContact NH1-OE2 3.3Å
262	K	82.8	Confident	86.1	Confident	188 Å²	188	88 Å²	88	82%	0.817	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-68.2	-21.5	177	-63.7	177.9	-180	174.7	0	112.5	D260 M264	D260-K262 PolarHBondContact O-N 2.79Å; D260-K262 VanDerWaalsContact OD1-CB 3.26Å; D260-K262 WeakPolarHBondContact OD1-CB 3.34Å; D260-K262 WeakPolarHBondContact OD1-CG 3.06Å; D260-K262 PolarHBondContact OD1-N 2.89Å; K262-M264 VanDerWaalsContact C-N 3.28Å
263	L	84.1	Confident	86.2	Confident	92 Å²	92	84.5 Å²	84.5	48%	0.482	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-78.6	-13.6	174.5	-58.8	175.9	0	0	0	112.2	E256 M257 D260 R261	E256-L263 HydrophobicContact CB-CD1 4.32Å; M257-L263 HydrophobicContact CG-CB 3.95Å; D260-L263 HydrophobicContact CB-CD1 4.01Å; D260-L263 HydrophobicContact CB-CG 4.1Å; D260-L263 WeakPolarHBondContact O-CB 3.15Å; D260-L263 PolarHBondContact O-N 2.94Å; R261-L263 PolarHBondContact O-N 3.21Å
264	M	85	Confident	86.3	Confident	22 Å²	22	84.9 Å²	84.9	11%	0.108	42%	0.415	C	S	.	.	S	Bend	trans	-75.6	141.6	-179	-61.2	-170.9	75.7	0	0	112	M257 R261 K262 F267 E273 L277	M257-M264 HydrophobicContact CE-CG 4.41Å; R261-M264 WeakPolarHBondContact O-CB 3.48Å; R261-M264 PolarHBondContact O-N 2.92Å; R261-M264 VanDerWaalsContact O-N 3.12Å; K262-M264 VanDerWaalsContact C-N 3.28Å; M264-F267 HydrophobicContact CE-CE2 4.46Å; M264-E273 HydrophobicContact CE-CB 3.48Å; M264-E273 VanDerWaalsContact CE-CB 3.48Å; M264-E273 HydrophobicContact CE-CG 3.87Å; M264-E273 WeakPolarHBondContact CE-O 3.14Å; M264-E273 HydrophobicContact SD-CB 4.1Å; M264-E273 HydrophobicContact SD-CG 4.18Å; M264-L277 HydrophobicContact CE-CD1 4.5Å; M264-L277 HydrophobicContact CE-CD2 4.39Å; M264-L277 HydrophobicContact CE-CG 4.17Å
265	P	88	Confident	86.5	Confident	45 Å²	45	88.9 Å²	88.9	29%	0.292	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-57.5	152.2	167.1	-21	31.9	0	0	0	111.1	F267 Y276 T720	P265-F267 HydrophobicContact CB-CE2 4.06Å; P265-F267 HydrophobicContact CB-CZ 3.93Å; P265-F267 HydrophobicContact CG-CE2 4.41Å; P265-F267 HydrophobicContact CG-CZ 4.1Å; P265-F267 WeakPolarHBondContact O-CD2 3.49Å; P265-F267 WeakPolarHBondContact O-CE2 3.47Å; P265-F267 PolarHBondContact O-N 3.46Å; P265-Y276 HydrophobicContact CG-CE1 4.29Å; P265-T720 HydrophobicContact CB-CG2 3.82Å
266	K	90.3	Very high	86.7	Confident	165 Å²	165	85.5 Å²	85.5	72%	0.717	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-80	121.9	172.3	-62.5	-175.6	179.7	-179.9	0	109.8	T720 L721	K266-T720 CarbonylContact O-C 3.57Å; K266-T720 WeakPolarHBondContact O-CA 3.18Å; K266-L721 HydrophobicContact CB-CD1 3.82Å; K266-L721 HydrophobicContact CB-CG 4.27Å; K266-L721 PolarHBondContact O-N 3.46Å
267	F	92.6	Very high	86.8	Confident	16 Å²	16	81 Å²	81	7%	0.07	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-97.8	159.7	179.3	-64.5	-82.2	0	0	0	113.1	M264 P265 V269 M272 E273 Y276 T720	M264-F267 HydrophobicContact CE-CE2 4.46Å; P265-F267 HydrophobicContact CB-CE2 4.06Å; P265-F267 HydrophobicContact CB-CZ 3.93Å; P265-F267 HydrophobicContact CG-CE2 4.41Å; P265-F267 HydrophobicContact CG-CZ 4.1Å; P265-F267 WeakPolarHBondContact O-CD2 3.49Å; P265-F267 WeakPolarHBondContact O-CE2 3.47Å; P265-F267 PolarHBondContact O-N 3.46Å; F267-V269 VanDerWaalsContact C-N 3.3Å; F267-V269 WeakPolarHBondContact CB-O 3.28Å; F267-M272 HydrophobicContact CB-CB 3.82Å; F267-M272 HydrophobicContact CB-SD 4.38Å; F267-M272 HydrophobicContact CD1-CB 3.93Å; F267-M272 HydrophobicContact CG-CB 3.86Å; F267-E273 HydrophobicContact CD2-CG 3.85Å; F267-E273 HydrophobicContact CE2-CG 4.33Å; F267-Y276 AromaticContact CE1-CD2 3.81Å; F267-Y276 HydrophobicContact CE1-CD2 3.81Å; F267-Y276 HydrophobicContact CE1-CG 4.01Å; F267-Y276 HydrophobicContact CE2-CD1 4.42Å; F267-Y276 HydrophobicContact CE2-CG 4.14Å; F267-Y276 VanDerWaalsContact CZ-CB 3.47Å; F267-Y276 AromaticContact CZ-CD1 3.88Å; F267-Y276 HydrophobicContact CZ-CD1 3.88Å; F267-Y276 AromaticContact CZ-CD2 3.48Å; F267-Y276 HydrophobicContact CZ-CD2 3.48Å; F267-Y276 VanDerWaalsContact CZ-CD2 3.48Å; F267-Y276 HydrophobicContact CZ-CE2 4.14Å; F267-Y276 AromaticContact CZ-CG 3.32Å; F267-Y276 HydrophobicContact CZ-CG 3.32Å; F267-T720 HydrophobicContact CD1-CG2 3.99Å; F267-T720 HydrophobicContact CE1-CG2 3.63Å; F267-T720 HydrophobicContact CZ-CG2 4.24Å
268	V	88.8	Confident	86.9	Confident	56 Å²	56	84 Å²	84	34%	0.339	42%	0.415	S	S	.	.	S	Bend	trans	-63.6	-38.3	175.5	177.9	0	0	0	0	111.3	V719 L721 R724	V268-V719 HydrophobicContact CG2-CB 4.2Å; V268-V719 HydrophobicContact CG2-CG1 4.04Å; V268-V719 WeakPolarHBondContact CG2-O 3.43Å; V268-V719 PolarHBondContact N-O 3.37Å; V268-L721 HydrophobicContact CG2-CD2 4.14Å; V268-R724 HydrophobicContact CG2-CB 3.97Å; V268-R724 HydrophobicContact CG2-CG 4.36Å
269	V	87.9	Confident	87	Confident	72 Å²	72	83.2 Å²	83.2	44%	0.436	40%	0.403	S	S	.	.	S	Bend	trans	-126.2	138	176	-175.5	0	0	0	0	108.5	F267 D271 M272	F267-V269 VanDerWaalsContact C-N 3.3Å; F267-V269 WeakPolarHBondContact CB-O 3.28Å; V269-D271 VanDerWaalsContact C-N 3.29Å; V269-D271 HydrophobicContact CG1-CB 4.47Å; V269-D271 PolarHBondContact O-N 3.35Å; V269-M272 HydrophobicContact CB-CE 4.39Å; V269-M272 HydrophobicContact CB-CG 4.25Å; V269-M272 HydrophobicContact CB-SD 4.31Å; V269-M272 HydrophobicContact CG2-CE 4.31Å; V269-M272 VanDerWaalsContact O-CB 3.31Å; V269-M272 WeakPolarHBondContact O-CB 3.19Å; V269-M272 PolarHBondContact O-N 2.99Å; V269-M272 VanDerWaalsContact O-N 3.12Å
270	K	83.7	Confident	87	Confident	143 Å²	143	75.7 Å²	75.7	62%	0.622	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-35.8	-175.4	-167	178.9	180	-177.3	0	113.2	M272 E273	K270-M272 PolarHBondContact O-N 3.21Å; K270-M272 VanDerWaalsContact O-N 3.11Å; K270-E273 WeakPolarHBondContact O-CB 3.45Å; K270-E273 WeakPolarHBondContact O-CG 2.96Å; K270-E273 PolarHBondContact O-N 2.63Å
271	D	85.5	Confident	87.1	Confident	119 Å²	119	77.5 Å²	77.5	64%	0.636	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.1	179.7	-58.9	-20.7	0	0	0	113.3	V269 E273 T274	V269-D271 VanDerWaalsContact C-N 3.29Å; V269-D271 HydrophobicContact CG1-CB 4.47Å; V269-D271 PolarHBondContact O-N 3.35Å; D271-E273 PolarHBondContact O-N 3.42Å; D271-T274 PolarHBondContact O-OG1 3.19Å; D271-T274 VanDerWaalsContact O-OG1 3.09Å
272	M	89.1	Confident	87.5	Confident	33 Å²	33	75.4 Å²	75.4	16%	0.163	37%	0.373	C	S	.	.	H	α-helix	trans	-70.6	-15.1	172.7	-64.9	176.8	170.6	0	0	112.9	F267 V269 K270 L275 Y276 T718 V719	F267-M272 HydrophobicContact CB-CB 3.82Å; F267-M272 HydrophobicContact CB-SD 4.38Å; F267-M272 HydrophobicContact CD1-CB 3.93Å; F267-M272 HydrophobicContact CG-CB 3.86Å; V269-M272 HydrophobicContact CB-CE 4.39Å; V269-M272 HydrophobicContact CB-CG 4.25Å; V269-M272 HydrophobicContact CB-SD 4.31Å; V269-M272 HydrophobicContact CG2-CE 4.31Å; V269-M272 VanDerWaalsContact O-CB 3.31Å; V269-M272 WeakPolarHBondContact O-CB 3.19Å; V269-M272 PolarHBondContact O-N 2.99Å; V269-M272 VanDerWaalsContact O-N 3.12Å; K270-M272 PolarHBondContact O-N 3.21Å; K270-M272 VanDerWaalsContact O-N 3.11Å; M272-L275 PolarHBondContact O-N 3.5Å; M272-Y276 VanDerWaalsContact O-CB 3.28Å; M272-Y276 WeakPolarHBondContact O-CB 3.13Å; M272-Y276 PolarHBondContact O-N 2.97Å; M272-T718 HydrophobicContact CB-CG2 4.03Å; M272-T718 WeakPolarHBondContact O-CG2 3.48Å; M272-V719 HydrophobicContact SD-CB 4.37Å; M272-V719 PolarHBondContact SD-N 3.33Å
273	E	87.4	Confident	87.7	Confident	43 Å²	43	68.4 Å²	68.4	20%	0.201	35%	0.348	C	S	.	.	H	α-helix	trans	-58.6	-48.5	176.5	-75.9	175.7	-172.9	0	0	111.3	R261 M264 F267 K270 D271 Y276 L277	R261-E273 IonicContact NH1-OE2 3.3Å; M264-E273 HydrophobicContact CE-CB 3.48Å; M264-E273 VanDerWaalsContact CE-CB 3.48Å; M264-E273 HydrophobicContact CE-CG 3.87Å; M264-E273 WeakPolarHBondContact CE-O 3.14Å; M264-E273 HydrophobicContact SD-CB 4.1Å; M264-E273 HydrophobicContact SD-CG 4.18Å; F267-E273 HydrophobicContact CD2-CG 3.85Å; F267-E273 HydrophobicContact CE2-CG 4.33Å; K270-E273 WeakPolarHBondContact O-CB 3.45Å; K270-E273 WeakPolarHBondContact O-CG 2.96Å; K270-E273 PolarHBondContact O-N 2.63Å; D271-E273 PolarHBondContact O-N 3.42Å; E273-Y276 WeakPolarHBondContact O-CB 3.28Å; E273-Y276 PolarHBondContact O-N 3.41Å; E273-L277 PolarHBondContact O-N 3.42Å
274	T	86.3	Confident	87.9	Confident	89 Å²	89	64.1 Å²	64.1	55%	0.546	33%	0.326	S	S	.	.	H	α-helix	trans	-69.1	-44.7	179.5	50.1	0	0	0	0	111.3	D271 Y276 L277 D278	D271-T274 PolarHBondContact O-OG1 3.19Å; D271-T274 VanDerWaalsContact O-OG1 3.09Å; T274-Y276 PolarHBondContact O-N 2.78Å; T274-L277 PolarHBondContact O-N 3.19Å; T274-L277 VanDerWaalsContact O-N 3.1Å; T274-D278 PolarHBondContact O-N 2.92Å; T274-D278 VanDerWaalsContact O-N 3.17Å
275	L	88.6	Confident	88	Confident	91 Å²	91	67.3 Å²	67.3	48%	0.476	34%	0.343	S	S	.	.	H	α-helix	trans	-58.3	-31.7	175.6	-64.4	176.7	0	0	0	112.3	M272 D278 E279 T718	M272-L275 PolarHBondContact O-N 3.5Å; L275-D278 PolarHBondContact O-N 2.96Å; L275-E279 WeakPolarHBondContact O-CB 3.21Å; L275-E279 PolarHBondContact O-N 3.16Å; L275-T718 HydrophobicContact CB-CG2 3.52Å
276	Y	89.7	Confident	88	Confident	37 Å²	37	67 Å²	67	15%	0.145	34%	0.342	C	S	.	.	H	α-helix	trans	-69.9	-42.1	177.9	176.6	-100.3	0	0	0	111.2	M257 P265 F267 M272 E273 T274 D278 E279 V280	M257-Y276 HydrophobicContact CE-CD1 4.46Å; M257-Y276 HydrophobicContact CE-CE1 3.72Å; P265-Y276 HydrophobicContact CG-CE1 4.29Å; F267-Y276 AromaticContact CE1-CD2 3.81Å; F267-Y276 HydrophobicContact CE1-CD2 3.81Å; F267-Y276 HydrophobicContact CE1-CG 4.01Å; F267-Y276 HydrophobicContact CE2-CD1 4.42Å; F267-Y276 HydrophobicContact CE2-CG 4.14Å; F267-Y276 VanDerWaalsContact CZ-CB 3.47Å; F267-Y276 AromaticContact CZ-CD1 3.88Å; F267-Y276 HydrophobicContact CZ-CD1 3.88Å; F267-Y276 AromaticContact CZ-CD2 3.48Å; F267-Y276 HydrophobicContact CZ-CD2 3.48Å; F267-Y276 VanDerWaalsContact CZ-CD2 3.48Å; F267-Y276 HydrophobicContact CZ-CE2 4.14Å; F267-Y276 AromaticContact CZ-CG 3.32Å; F267-Y276 HydrophobicContact CZ-CG 3.32Å; M272-Y276 VanDerWaalsContact O-CB 3.28Å; M272-Y276 WeakPolarHBondContact O-CB 3.13Å; M272-Y276 PolarHBondContact O-N 2.97Å; E273-Y276 WeakPolarHBondContact O-CB 3.28Å; E273-Y276 PolarHBondContact O-N 3.41Å; T274-Y276 PolarHBondContact O-N 2.78Å; Y276-D278 VanDerWaalsContact C-N 3.25Å; Y276-D278 PolarHBondContact O-N 3.22Å; Y276-E279 WeakPolarHBondContact O-CB 3.23Å; Y276-E279 PolarHBondContact O-N 2.79Å; Y276-V280 HydrophobicContact CD1-CG2 4.09Å; Y276-V280 HydrophobicContact CD2-CG2 4.24Å; Y276-V280 HydrophobicContact CE1-CG2 3.67Å; Y276-V280 HydrophobicContact CE2-CG2 3.86Å; Y276-V280 HydrophobicContact CG-CG2 4.36Å; Y276-V280 VanDerWaalsContact O-CG2 3.22Å; Y276-V280 WeakPolarHBondContact O-CG2 3.38Å; Y276-V280 PolarHBondContact O-N 3.38Å
277	L	89.2	Confident	87.8	Confident	22 Å²	22	59.4 Å²	59.4	12%	0.115	31%	0.309	C	S	.	.	H	α-helix	trans	-60.2	-40.8	175.1	-64.5	174.5	0	0	0	110.9	I254 M257 A258 M264 E273 T274 V280 R281	I254-L277 HydrophobicContact CG2-CD2 4.12Å; M257-L277 HydrophobicContact CB-CD2 4.36Å; A258-L277 HydrophobicContact CB-CD1 4Å; M264-L277 HydrophobicContact CE-CD1 4.5Å; M264-L277 HydrophobicContact CE-CD2 4.39Å; M264-L277 HydrophobicContact CE-CG 4.17Å; E273-L277 PolarHBondContact O-N 3.42Å; T274-L277 PolarHBondContact O-N 3.19Å; T274-L277 VanDerWaalsContact O-N 3.1Å; L277-V280 PolarHBondContact O-N 3.49Å; L277-R281 WeakPolarHBondContact O-CB 3.37Å; L277-R281 VanDerWaalsContact O-CG 3.31Å; L277-R281 WeakPolarHBondContact O-CG 3.04Å; L277-R281 PolarHBondContact O-N 3.5Å
278	D	87.3	Confident	87.5	Confident	72 Å²	72	59.6 Å²	59.6	39%	0.385	31%	0.311	S	S	.	.	H	α-helix	trans	-68.2	-40.8	176.7	-64.7	-26.8	0	0	0	112.1	T274 L275 Y276 V280 R281 I282	T274-D278 PolarHBondContact O-N 2.92Å; T274-D278 VanDerWaalsContact O-N 3.17Å; L275-D278 PolarHBondContact O-N 2.96Å; Y276-D278 VanDerWaalsContact C-N 3.25Å; Y276-D278 PolarHBondContact O-N 3.22Å; D278-V280 PolarHBondContact O-N 2.88Å; D278-R281 PolarHBondContact O-N 3.36Å; D278-R281 IonicContact OD1-NH1 3.84Å; D278-R281 PolarHBondContact OD1-NH1 3.05Å; D278-I282 WeakPolarHBondContact O-CB 3.29Å; D278-I282 WeakPolarHBondContact O-CD1 3.11Å; D278-I282 WeakPolarHBondContact O-CG1 3.29Å; D278-I282 PolarHBondContact O-N 2.93Å
279	E	87.6	Confident	87.3	Confident	33 Å²	33	60.1 Å²	60.1	15%	0.154	32%	0.317	C	S	.	.	H	α-helix	trans	-57.5	-47.8	173.3	-178	-171.2	157.8	0	0	111.7	L275 Y276 I282 S283 R670 V716 T718	L275-E279 WeakPolarHBondContact O-CB 3.21Å; L275-E279 PolarHBondContact O-N 3.16Å; Y276-E279 WeakPolarHBondContact O-CB 3.23Å; Y276-E279 PolarHBondContact O-N 2.79Å; E279-I282 PolarHBondContact O-N 2.94Å; E279-S283 WeakPolarHBondContact O-CB 3.36Å; E279-S283 PolarHBondContact O-N 3.28Å; E279-R670 IonicContact OE1-CZ 3.54Å; E279-R670 IonicContact OE1-NH1 3.3Å; E279-R670 PolarHBondContact OE1-NH1 2.85Å; E279-R670 IonicContact OE1-NH2 3.71Å; E279-R670 IonicContact OE2-CZ 3.65Å; E279-R670 IonicContact OE2-NH1 3.49Å; E279-R670 PolarHBondContact OE2-NH1 3.08Å; E279-R670 IonicContact OE2-NH2 2.77Å; E279-V716 HydrophobicContact CG-CG1 4.49Å; E279-V716 HydrophobicContact CG-CG2 4.13Å; E279-V716 WeakPolarHBondContact OE1-CG1 3.42Å; E279-T718 PolarHBondContact OE2-OG1 2.89Å
280	V	87.8	Confident	87.2	Confident	20 Å²	20	57.8 Å²	57.8	12%	0.121	30%	0.302	C	S	.	.	H	α-helix	trans	-66.4	-40.8	-179.6	-178.9	0	0	0	0	110.1	I254 Y276 L277 D278 S283 I284 M668	I254-V280 HydrophobicContact CD1-CB 4.12Å; I254-V280 HydrophobicContact CD1-CG1 3.33Å; I254-V280 HydrophobicContact CG1-CB 4.48Å; I254-V280 HydrophobicContact CG1-CG1 3.64Å; Y276-V280 HydrophobicContact CD1-CG2 4.09Å; Y276-V280 HydrophobicContact CD2-CG2 4.24Å; Y276-V280 HydrophobicContact CE1-CG2 3.67Å; Y276-V280 HydrophobicContact CE2-CG2 3.86Å; Y276-V280 HydrophobicContact CG-CG2 4.36Å; Y276-V280 VanDerWaalsContact O-CG2 3.22Å; Y276-V280 WeakPolarHBondContact O-CG2 3.38Å; Y276-V280 PolarHBondContact O-N 3.38Å; L277-V280 PolarHBondContact O-N 3.49Å; D278-V280 PolarHBondContact O-N 2.88Å; V280-S283 WeakPolarHBondContact O-CB 3.43Å; V280-S283 PolarHBondContact O-N 3.31Å; V280-I284 WeakPolarHBondContact O-CG1 3.42Å; V280-I284 PolarHBondContact O-N 2.87Å; V280-M668 HydrophobicContact CB-CE 4.16Å; V280-M668 HydrophobicContact CG1-CE 3.34Å; V280-M668 HydrophobicContact CG1-SD 4.2Å
281	R	88.4	Confident	87.2	Confident	107 Å²	107	51.2 Å²	51.2	40%	0.404	27%	0.274	S	S	.	.	H	α-helix	trans	-60.4	-47.3	172.5	-76	172.9	-174	154.2	-6.5	112.3	I254 L277 D278 S283 I284 N285	I254-R281 HydrophobicContact CD1-CG 4.48Å; I254-R281 HydrophobicContact CG2-CG 4.45Å; L277-R281 WeakPolarHBondContact O-CB 3.37Å; L277-R281 VanDerWaalsContact O-CG 3.31Å; L277-R281 WeakPolarHBondContact O-CG 3.04Å; L277-R281 PolarHBondContact O-N 3.5Å; D278-R281 PolarHBondContact O-N 3.36Å; D278-R281 IonicContact OD1-NH1 3.84Å; D278-R281 PolarHBondContact OD1-NH1 3.05Å; R281-S283 VanDerWaalsContact C-N 3.26Å; R281-S283 PolarHBondContact O-N 3.01Å; R281-I284 PolarHBondContact O-N 3.08Å; R281-N285 WeakPolarHBondContact O-CB 3.42Å; R281-N285 VanDerWaalsContact O-CG 3.24Å; R281-N285 PolarHBondContact O-N 3.47Å; R281-N285 PolarHBondContact O-ND2 2.82Å
282	I	87.5	Confident	87	Confident	118 Å²	118	48.5 Å²	48.5	61%	0.605	26%	0.257	S	S	*	.	H	α-helix	trans	-59.1	-41.9	176.7	-70.7	164	0	0	0	110.2	D278 E279 N285 S286	D278-I282 WeakPolarHBondContact O-CB 3.29Å; D278-I282 WeakPolarHBondContact O-CD1 3.11Å; D278-I282 WeakPolarHBondContact O-CG1 3.29Å; D278-I282 PolarHBondContact O-N 2.93Å; E279-I282 PolarHBondContact O-N 2.94Å; I282-N285 PolarHBondContact O-N 2.97Å; I282-S286 WeakPolarHBondContact O-CB 3.38Å; I282-S286 PolarHBondContact O-N 3.4Å
283	S	86.8	Confident	86.5	Confident	42 Å²	42	50.1 Å²	50.1	29%	0.294	27%	0.272	S	S	.	.	H	α-helix	trans	-62.9	-46.7	176.3	-173.9	0	0	0	0	111.5	E279 V280 R281 N285 S286 L287	E279-S283 WeakPolarHBondContact O-CB 3.36Å; E279-S283 PolarHBondContact O-N 3.28Å; V280-S283 WeakPolarHBondContact O-CB 3.43Å; V280-S283 PolarHBondContact O-N 3.31Å; R281-S283 VanDerWaalsContact C-N 3.26Å; R281-S283 PolarHBondContact O-N 3.01Å; S283-N285 PolarHBondContact O-N 2.85Å; S283-S286 WeakPolarHBondContact O-CB 3.39Å; S283-S286 PolarHBondContact O-N 2.78Å; S283-L287 WeakPolarHBondContact O-CG 3.36Å; S283-L287 PolarHBondContact O-N 2.8Å
284	I	88.2	Confident	86.1	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-59.6	-46.8	175.3	-69.1	-176	0	0	0	110.8	L247 R250 M251 I254 V280 R281 S286 L287 I288 M668	L247-I284 HydrophobicContact CD2-CG2 4.41Å; R250-I284 HydrophobicContact CB-CD1 3.71Å; M251-I284 HydrophobicContact CE-CB 4.38Å; M251-I284 HydrophobicContact CE-CD1 4.39Å; M251-I284 HydrophobicContact CE-CG2 3.64Å; M251-I284 HydrophobicContact SD-CD1 4.46Å; I254-I284 HydrophobicContact CD1-CD1 3.36Å; I254-I284 HydrophobicContact CD1-CG1 4.36Å; V280-I284 WeakPolarHBondContact O-CG1 3.42Å; V280-I284 PolarHBondContact O-N 2.87Å; R281-I284 PolarHBondContact O-N 3.08Å; I284-S286 PolarHBondContact O-N 3.46Å; I284-L287 CarbonylContact O-C 3.59Å; I284-L287 WeakPolarHBondContact O-CA 3.49Å; I284-L287 WeakPolarHBondContact O-CB 3.37Å; I284-L287 PolarHBondContact O-N 3.39Å; I284-I288 HydrophobicContact CG2-CD1 3.9Å; I284-I288 HydrophobicContact CG2-CG1 4.28Å; I284-I288 WeakPolarHBondContact O-CG1 3.42Å; I284-I288 PolarHBondContact O-N 2.9Å; I284-M668 HydrophobicContact CD1-SD 4.4Å; I284-M668 HydrophobicContact CG1-CE 3.97Å; I284-M668 HydrophobicContact CG1-SD 3.92Å
285	N	87.4	Confident	85.4	Confident	90 Å²	90	49.5 Å²	49.5	48%	0.481	27%	0.272	S	S	.	.	H	α-helix	trans	-61.1	-34.8	178	-69.7	-20.5	0	0	0	112.1	R281 I282 S283 I288 S289	R281-N285 WeakPolarHBondContact O-CB 3.42Å; R281-N285 VanDerWaalsContact O-CG 3.24Å; R281-N285 PolarHBondContact O-N 3.47Å; R281-N285 PolarHBondContact O-ND2 2.82Å; I282-N285 PolarHBondContact O-N 2.97Å; S283-N285 PolarHBondContact O-N 2.85Å; N285-I288 PolarHBondContact O-N 2.78Å; N285-S289 WeakPolarHBondContact O-CB 3.4Å; N285-S289 PolarHBondContact O-N 3.22Å
286	S	87.4	Confident	84.4	Confident	39 Å²	39	46.7 Å²	46.7	27%	0.273	26%	0.258	S	S	.	.	H	α-helix	trans	-66.2	-36.8	172.1	-177.4	0	0	0	0	112.2	I282 S283 I284 N290	I282-S286 WeakPolarHBondContact O-CB 3.38Å; I282-S286 PolarHBondContact O-N 3.4Å; S283-S286 WeakPolarHBondContact O-CB 3.39Å; S283-S286 PolarHBondContact O-N 2.78Å; I284-S286 PolarHBondContact O-N 3.46Å; S286-N290 WeakPolarHBondContact O-CB 3.46Å; S286-N290 VanDerWaalsContact O-CG 3.24Å; S286-N290 PolarHBondContact O-N 3.41Å; S286-N290 PolarHBondContact O-ND2 3.24Å
287	L	87.5	Confident	83.2	Confident	5 Å²	5	46.1 Å²	46.1	3%	0.026	26%	0.258	C	S	.	.	H	α-helix	trans	-68.6	-42.1	175.1	-62	178.3	0	0	0	111	F66 N67 L247 S283 I284 N290 L291 A665	F66-L287 HydrophobicContact CE2-CB 4.12Å; F66-L287 HydrophobicContact CE2-CD2 4.36Å; N67-L287 VanDerWaalsContact CG-CD2 3.49Å; N67-L287 WeakPolarHBondContact OD1-CD2 3.22Å; L247-L287 HydrophobicContact CD2-CB 3.8Å; L247-L287 HydrophobicContact CD2-CD1 3.72Å; L247-L287 HydrophobicContact CD2-CG 4.42Å; S283-L287 WeakPolarHBondContact O-CG 3.36Å; S283-L287 PolarHBondContact O-N 2.8Å; I284-L287 CarbonylContact O-C 3.59Å; I284-L287 WeakPolarHBondContact O-CA 3.49Å; I284-L287 WeakPolarHBondContact O-CB 3.37Å; I284-L287 PolarHBondContact O-N 3.39Å; L287-N290 PolarHBondContact O-N 3.46Å; L287-L291 WeakPolarHBondContact O-CB 3.45Å; L287-L291 PolarHBondContact O-N 3.3Å; L287-A665 WeakPolarHBondContact CD2-O 3.46Å
288	I	85.5	Confident	81.5	Confident	20 Å²	20	49.7 Å²	49.7	10%	0.103	28%	0.282	C	S	.	.	H	α-helix	trans	-57.1	-52.2	172.9	-66.5	173.3	0	0	0	109.4	L247 I284 N285 N290 L291 E292 Y510	L247-I288 HydrophobicContact CD1-CG1 3.91Å; I284-I288 HydrophobicContact CG2-CD1 3.9Å; I284-I288 HydrophobicContact CG2-CG1 4.28Å; I284-I288 WeakPolarHBondContact O-CG1 3.42Å; I284-I288 PolarHBondContact O-N 2.9Å; N285-I288 PolarHBondContact O-N 2.78Å; I288-N290 VanDerWaalsContact C-N 3.33Å; I288-N290 PolarHBondContact O-N 2.85Å; I288-L291 CarbonylContact O-C 3.54Å; I288-L291 WeakPolarHBondContact O-CA 3.28Å; I288-L291 WeakPolarHBondContact O-CB 3.47Å; I288-L291 PolarHBondContact O-N 2.73Å; I288-E292 HydrophobicContact CG2-CG 4.3Å; I288-E292 WeakPolarHBondContact O-CG 3.32Å; I288-E292 PolarHBondContact O-N 2.96Å; I288-Y510 HydrophobicContact CB-CD2 4.47Å; I288-Y510 HydrophobicContact CB-CE2 4.38Å; I288-Y510 HydrophobicContact CD1-CE1 4.48Å; I288-Y510 HydrophobicContact CD1-CE2 4.11Å; I288-Y510 HydrophobicContact CG1-CD2 4.23Å; I288-Y510 HydrophobicContact CG1-CE2 3.68Å; I288-Y510 HydrophobicContact CG2-CD1 3.92Å; I288-Y510 HydrophobicContact CG2-CD2 3.94Å; I288-Y510 HydrophobicContact CG2-CE1 4.06Å; I288-Y510 HydrophobicContact CG2-CE2 4.07Å; I288-Y510 HydrophobicContact CG2-CG 3.86Å
289	S	84.8	Confident	79.3	Confident	66 Å²	66	54.5 Å²	54.5	46%	0.462	30%	0.3	S	S	.	.	H	α-helix	trans	-61.3	-38.5	179.2	-176.2	0	0	0	0	112.9	N285 L291 E292 S293	N285-S289 WeakPolarHBondContact O-CB 3.4Å; N285-S289 PolarHBondContact O-N 3.22Å; S289-L291 VanDerWaalsContact C-N 3.34Å; S289-E292 PolarHBondContact O-N 2.92Å; S289-S293 WeakPolarHBondContact O-CB 3.48Å; S289-S293 PolarHBondContact O-N 3.25Å
290	N	86	Confident	76.7	Confident	24 Å²	24	60.2 Å²	60.2	13%	0.128	33%	0.327	C	S	.	.	H	α-helix	trans	-61.6	-43.8	173.4	-78.7	-20.8	0	0	0	111.3	F66 N67 S286 L287 I288 S293 V294	F66-N290 HydrophobicContact CD2-CB 4.04Å; N67-N290 PolarHBondContact OD1-ND2 3.41Å; S286-N290 WeakPolarHBondContact O-CB 3.46Å; S286-N290 VanDerWaalsContact O-CG 3.24Å; S286-N290 PolarHBondContact O-N 3.41Å; S286-N290 PolarHBondContact O-ND2 3.24Å; L287-N290 PolarHBondContact O-N 3.46Å; I288-N290 VanDerWaalsContact C-N 3.33Å; I288-N290 PolarHBondContact O-N 2.85Å; N290-S293 PolarHBondContact O-N 3.41Å; N290-S293 PolarHBondContact O-OG 3.17Å; N290-V294 PolarHBondContact O-N 2.86Å
291	L	83.6	Confident	73.9	Confident	4 Å²	4	63.7 Å²	63.7	2%	0.021	35%	0.352	C	S	.	.	H	α-helix	trans	-65.4	-43.9	177	-177.9	58.6	0	0	0	111.3	F66 A240 I243 R244 L287 I288 S289 S293 V294 Q509 Y510	F66-L291 HydrophobicContact CD2-CB 4.12Å; F66-L291 HydrophobicContact CE2-CB 4.37Å; A240-L291 HydrophobicContact CB-CD1 4.45Å; I243-L291 HydrophobicContact CB-CD2 4.16Å; I243-L291 HydrophobicContact CD1-CD1 4.19Å; I243-L291 HydrophobicContact CG2-CD2 3.77Å; R244-L291 HydrophobicContact CG-CD2 4.18Å; L287-L291 WeakPolarHBondContact O-CB 3.45Å; L287-L291 PolarHBondContact O-N 3.3Å; I288-L291 CarbonylContact O-C 3.54Å; I288-L291 WeakPolarHBondContact O-CA 3.28Å; I288-L291 WeakPolarHBondContact O-CB 3.47Å; I288-L291 PolarHBondContact O-N 2.73Å; S289-L291 VanDerWaalsContact C-N 3.34Å; L291-S293 PolarHBondContact O-N 3.38Å; L291-V294 WeakPolarHBondContact O-CB 3.38Å; L291-V294 PolarHBondContact O-N 2.68Å; L291-Q509 HydrophobicContact CD1-CB 3.63Å; L291-Q509 HydrophobicContact CD1-CG 4.41Å; L291-Q509 HydrophobicContact CG-CB 3.82Å; L291-Q509 WeakPolarHBondContact O-CB 3.43Å; L291-Y510 HydrophobicContact CD2-CD2 3.99Å
292	E	82	Confident	71	Confident	62 Å²	62	63.1 Å²	63.1	29%	0.29	36%	0.364	S	S	.	.	H	α-helix	trans	-58.3	-33.4	174.4	-71.5	178.7	152.7	0	0	112.7	I288 S289 V294	I288-E292 HydrophobicContact CG2-CG 4.3Å; I288-E292 WeakPolarHBondContact O-CG 3.32Å; I288-E292 PolarHBondContact O-N 2.96Å; S289-E292 PolarHBondContact O-N 2.92Å; E292-V294 PolarHBondContact O-N 3.15Å
293	S	78.5	Confident	68.1	Low	67 Å²	67	63.4 Å²	63.4	47%	0.469	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-14.7	177.9	82.2	0	0	0	0	114	S289 N290 L291	S289-S293 WeakPolarHBondContact O-CB 3.48Å; S289-S293 PolarHBondContact O-N 3.25Å; N290-S293 PolarHBondContact O-N 3.41Å; N290-S293 PolarHBondContact O-OG 3.17Å; L291-S293 PolarHBondContact O-N 3.38Å
294	V	78.1	Confident	65.2	Low	51 Å²	51	70.6 Å²	70.6	31%	0.309	40%	0.398	S	S	.	.	S	Bend	trans	-73	122.9	174.8	178.3	0	0	0	0	107.9	F66 N290 L291 E292 V296 Q509	F66-V294 HydrophobicContact CB-CG2 4.18Å; N290-V294 PolarHBondContact O-N 2.86Å; L291-V294 WeakPolarHBondContact O-CB 3.38Å; L291-V294 PolarHBondContact O-N 2.68Å; E292-V294 PolarHBondContact O-N 3.15Å; V294-V296 PolarHBondContact O-N 2.84Å; V294-Q509 HydrophobicContact CB-CG 3.85Å; V294-Q509 HydrophobicContact CG1-CG 3.96Å; V294-Q509 WeakPolarHBondContact O-CG 3.27Å
295	P	70.7	Confident	62.2	Low	68 Å²	68	78.6 Å²	78.6	44%	0.442	44%	0.435	S	S	.	.			trans	-62.3	141.2	-178.9	24.3	-32.6	0	0	0	110.9	N297 Q509	P295-N297 PolarHBondContact O-N 3.37Å; P295-Q509 PolarHBondContact O-NE2 3.18Å; P295-Q509 VanDerWaalsContact O-NE2 3.09Å
296	V	68.7	Low	59.3	Low	32 Å²	32	79.8 Å²	79.8	19%	0.194	45%	0.445	C	S	.	.	S	Bend	trans	-60.6	-29	172.5	174.3	0	0	0	0	111.3	V294 N479 Q506	V294-V296 PolarHBondContact O-N 2.84Å; V296-N479 HydrophobicContact CG1-CB 4.42Å; V296-Q506 HydrophobicContact CG1-CG 4.35Å; V296-Q506 HydrophobicContact CG2-CG 4.06Å
297	N	63.3	Low	56.3	Low	26 Å²	26	87.7 Å²	87.7	14%	0.139	48%	0.475	C	S	.	.			trans	-131.8	111.5	177.8	-174.5	3.8	0	0	0	112	P295 K299 Q478	P295-N297 PolarHBondContact O-N 3.37Å; N297-K299 PolarHBondContact O-N 3.43Å; N297-K299 WeakPolarHBondContact OD1-CB 3.45Å; N297-K299 PolarHBondContact OD1-N 3.39Å; N297-Q478 VanDerWaalsContact CB-OE1 3.3Å; N297-Q478 PolarHBondContact ND2-OE1 3.22Å; N297-Q478 PolarHBondContact OD1-OE1 3.21Å
298	P	53.6	Low	53.5	Low	96 Å²	96	95.7 Å²	95.7	62%	0.623	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-61.7	-25.6	175	-21.9	31.9	0	0	0	114.1	Q300 S301	P298-Q300 PolarHBondContact O-N 3.41Å; P298-S301 PolarHBondContact O-OG 3.16Å
299	K	42.7	Very low	50.6	Low	173 Å²	173	106.7 Å²	106.7	75%	0.752	55%	0.55	S	S	*	.	G	3₁₀ helix	trans	-77.1	-17.1	-171.8	-67	-174.2	177.9	-179.2	0	114.6	N297	N297-K299 PolarHBondContact O-N 3.43Å; N297-K299 WeakPolarHBondContact OD1-CB 3.45Å; N297-K299 PolarHBondContact OD1-N 3.39Å
300	Q	32.4	Very low	47.8	Very low	154 Å²	154	115.6 Å²	115.6	72%	0.72	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-91.4	-6.8	-174.3	-81	-179.2	8	0	0	114.9	P298 S302	P298-Q300 PolarHBondContact O-N 3.41Å; Q300-S302 PolarHBondContact O-N 3.47Å
301	S	29.3	Very low	45	Very low	93 Å²	93	120 Å²	120	65%	0.65	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-85.8	4.6	-175.6	58.3	0	0	0	0	115.7	P298	P298-S301 PolarHBondContact O-OG 3.16Å
302	S	27.1	Very low	42.3	Very low	94 Å²	94	131.8 Å²	131.8	66%	0.657	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-84.2	-1.9	-175.9	56.7	0	0	0	0	116.2	Q300	Q300-S302 PolarHBondContact O-N 3.47Å
303	T	27.3	Very low	39.6	Very low	124 Å²	124	134.6 Å²	134.6	76%	0.761	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-112.1	8.7	-172.8	14.9	0	0	0	0	117.3
304	K	26.1	Very low	37	Very low	194 Å²	194	141 Å²	141	84%	0.843	69%	0.69	S	S	*	*			trans	-105.8	76.4	170.5	-74.2	-173.7	179.1	176.7	0	111.8	T306	K304-T306 VanDerWaalsContact C-N 3.3Å; K304-T306 PolarHBondContact O-N 3.37Å
305	H	24.5	Very low	34.3	Very low	169 Å²	169	147.7 Å²	147.7	78%	0.782	71%	0.712	S	S	*	*			trans	-65.4	85.2	164.1	-83	-73.2	0	0	0	110.5	F307	H305-F307 PolarHBondContact O-N 3.41Å
306	T	26.8	Very low	32	Very low	114 Å²	114	154.1 Å²	154.1	70%	0.699	73%	0.733	S	S	*	*			trans	-79.4	102.2	163.2	51.5	0	0	0	0	109.2	K304 K308	K304-T306 VanDerWaalsContact C-N 3.3Å; K304-T306 PolarHBondContact O-N 3.37Å; T306-K308 PolarHBondContact O-N 3.02Å
307	F	23.6	Very low	29.8	Very low	205 Å²	205	161.3 Å²	161.3	90%	0.899	77%	0.769	S	S	*	*			trans	-55.2	101.3	167.4	-87.1	-96	0	0	0	110.6	H305	H305-F307 PolarHBondContact O-N 3.41Å
308	K	28.9	Very low	28.1	Very low	174 Å²	174	164.8 Å²	164.8	76%	0.757	79%	0.791	S	S	*	*			trans	-90.7	109.1	168.2	-85.1	-176.5	175.6	175.5	0	110	T306 R310	T306-K308 PolarHBondContact O-N 3.02Å; K308-R310 PolarHBondContact O-N 3.24Å
309	R	25.4	Very low	27	Very low	251 Å²	251	164 Å²	164	95%	0.947	79%	0.794	S	S	*	*			trans	-52.9	124.4	172.4	-113.4	173.3	166.2	167.6	-4.9	110.8	S311	R309-S311 PolarHBondContact O-N 2.91Å
310	R	24.3	Very low	26.3	Very low	253 Å²	253	159.6 Å²	159.6	96%	0.955	78%	0.784	S	S	*	*			trans	-65.8	106.5	172	-81.8	173	154.8	160.8	-6.6	110.1	K308	K308-R310 PolarHBondContact O-N 3.24Å
311	S	27.4	Very low	26.1	Very low	117 Å²	117	156.6 Å²	156.6	82%	0.818	77%	0.772	S	S	*	*			trans	-94.6	117.5	162.5	-170.9	0	0	0	0	109.1	R309	R309-S311 PolarHBondContact O-N 2.91Å
312	R	27.2	Very low	26.1	Very low	250 Å²	250	154.9 Å²	154.9	94%	0.943	76%	0.758	S	S	*	*			trans	-80.1	109.9	173.5	-86.4	172.9	147.4	136.4	-7.8	108.2
313	S	25.8	Very low	26.4	Very low	121 Å²	121	155.9 Å²	155.9	85%	0.846	75%	0.751	S	S	*	*			trans	-129	141.3	156.1	-164.5	0	0	0	0	109.8
314	R	23.1	Very low	26.6	Very low	201 Å²	201	154 Å²	154	76%	0.758	74%	0.735	S	S	*	*			trans	-112.4	141.2	-159.3	-120.4	-177.8	-68.1	161	0.3	107.9
315	Y	22.4	Very low	26.6	Very low	193 Å²	193	149.4 Å²	149.4	76%	0.757	72%	0.716	S	S	*	*			trans	69.2	106.3	160.7	-52.7	-65.7	0	0	0	119
316	F	22.7	Very low	26.9	Very low	203 Å²	203	147.3 Å²	147.3	89%	0.89	71%	0.71	S	S	*	*				175.7	122.2	105.4	-104.4	-87	0	0	0	108.4	T318	F316-T318 PolarHBondContact O-N 3.37Å
317	L	22.9	Very low	27.1	Very low	182 Å²	182	149.8 Å²	149.8	95%	0.953	71%	0.707	S	S	*	*			trans	-78.1	94.2	-175.4	-73.9	158.1	0	0	0	110.5
318	T	26.4	Very low	27.2	Very low	99 Å²	99	145.4 Å²	145.4	61%	0.607	69%	0.692	S	S	*	*			trans	-116.7	107.9	153.2	44.2	0	0	0	0	107.2	F316 C320	F316-T318 PolarHBondContact O-N 3.37Å; T318-C320 PolarHBondContact O-N 3.03Å
319	A	30.1	Very low	27.1	Very low	81 Å²	81	145.7 Å²	145.7	67%	0.669	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	14.1	-178.6	0	0	0	0	0	114.9	D321	A319-D321 PolarHBondContact O-N 3.07Å
320	C	29.3	Very low	27.2	Very low	80 Å²	80	140.6 Å²	140.6	54%	0.541	67%	0.669	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.9	-18.6	170.8	-78	0	0	0	0	113.1	T318	T318-C320 PolarHBondContact O-N 3.03Å
321	D	26.6	Very low	27.3	Very low	91 Å²	91	134 Å²	134	49%	0.487	66%	0.658	S	S	.	*	H	α-helix	trans	-76.8	-29.1	-173.9	-83	-19.9	0	0	0	113.8	A319 F323 F325	A319-D321 PolarHBondContact O-N 3.07Å; D321-F323 PolarHBondContact O-N 2.71Å; D321-F325 HydrophobicContact CB-CD2 3.73Å; D321-F325 HydrophobicContact CB-CE2 4.19Å; D321-F325 WeakPolarHBondContact O-CA 3.23Å; D321-F325 WeakPolarHBondContact O-CB 3.18Å; D321-F325 PolarHBondContact O-N 3.02Å; D321-F325 WeakPolarHBondContact OD1-CE2 3.31Å
322	T	30.4	Very low	27.1	Very low	57 Å²	57	133 Å²	133	35%	0.35	65%	0.651	S	S	.	*	H	α-helix	trans	-74.5	-28.1	-172.4	-33.6	0	0	0	0	113.7
323	F	32.8	Very low	27	Very low	114 Å²	114	126.9 Å²	126.9	50%	0.5	64%	0.641	S	S	.	*	H	α-helix	trans	-84.3	-34.1	176.8	-84.5	-85.1	0	0	0	113.1	D321 M657 Y699	D321-F323 PolarHBondContact O-N 2.71Å; F323-M657 HydrophobicContact CZ-CE 4.25Å; F323-Y699 AromaticContact CD2-CZ 3.94Å; F323-Y699 WeakPolarHBondContact CD2-OH 3.34Å; F323-Y699 WeakPolarHBondContact CG-OH 3.42Å
324	L	31.9	Very low	26.9	Very low	84 Å²	84	129.9 Å²	129.9	44%	0.44	64%	0.641	S	S	.	*	H	α-helix	trans	-84.3	-36	176.2	-76.1	173.2	0	0	0	112.7	N326 R327 L328 P713	L324-N326 PolarHBondContact O-N 3.11Å; L324-R327 PolarHBondContact O-N 3.25Å; L324-L328 HydrophobicContact CB-CD1 4.21Å; L324-L328 WeakPolarHBondContact O-CB 3.41Å; L324-L328 PolarHBondContact O-N 3.03Å; L324-P713 HydrophobicContact CD2-CG 4.31Å
325	F	26.6	Very low	27	Very low	99 Å²	99	125.1 Å²	125.1	43%	0.434	64%	0.639	S	S	.	*	H	α-helix	trans	-68.7	-32	179.9	-94.6	-90.5	0	0	0	113.6	D321 R327 L328 R329	D321-F325 HydrophobicContact CB-CD2 3.73Å; D321-F325 HydrophobicContact CB-CE2 4.19Å; D321-F325 WeakPolarHBondContact O-CA 3.23Å; D321-F325 WeakPolarHBondContact O-CB 3.18Å; D321-F325 PolarHBondContact O-N 3.02Å; D321-F325 WeakPolarHBondContact OD1-CE2 3.31Å; F325-R327 VanDerWaalsContact C-N 3.28Å; F325-R327 PolarHBondContact O-N 2.85Å; F325-L328 PolarHBondContact O-N 3.29Å; F325-R329 HydrophobicContact CD1-CG 4.18Å; F325-R329 WeakPolarHBondContact O-CB 3.4Å; F325-R329 PolarHBondContact O-N 3.45Å
326	N	30	Very low	27.1	Very low	125 Å²	125	123.6 Å²	123.6	67%	0.668	64%	0.642	S	S	*	*	H	α-helix	trans	-71.7	-22.5	179.9	-87.1	-18.6	0	0	0	113.4	L324	L324-N326 PolarHBondContact O-N 3.11Å
327	R	30.6	Very low	27.3	Very low	165 Å²	165	125.1 Å²	125.1	62%	0.623	64%	0.642	S	S	*	*	H	α-helix	trans	-89.9	-39	167.8	-89.2	-173.4	174.1	-161.4	-3.2	113	L324 F325 R329 R330	L324-R327 PolarHBondContact O-N 3.25Å; F325-R327 VanDerWaalsContact C-N 3.28Å; F325-R327 PolarHBondContact O-N 2.85Å; R327-R329 PolarHBondContact O-N 3.43Å; R327-R330 PolarHBondContact O-N 2.73Å
328	L	27.1	Very low	27.3	Very low	113 Å²	113	122.3 Å²	122.3	59%	0.592	63%	0.632	S	S	*	*	H	α-helix	trans	-75.7	-21.2	-177.1	-75.9	160.9	0	0	0	114.4	L324 F325 R330 T331	L324-L328 HydrophobicContact CB-CD1 4.21Å; L324-L328 WeakPolarHBondContact O-CB 3.41Å; L324-L328 PolarHBondContact O-N 3.03Å; F325-L328 PolarHBondContact O-N 3.29Å; L328-R330 VanDerWaalsContact C-N 3.31Å; L328-R330 PolarHBondContact O-N 2.98Å; L328-T331 PolarHBondContact O-OG1 3.45Å
329	R	25.3	Very low	27.3	Very low	180 Å²	180	126 Å²	126	68%	0.679	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	5.4	174.5	-100.9	-172.1	176.1	-177.7	3.5	115.6	F325 R327	F325-R329 HydrophobicContact CD1-CG 4.18Å; F325-R329 WeakPolarHBondContact O-CB 3.4Å; F325-R329 PolarHBondContact O-N 3.45Å; R327-R329 PolarHBondContact O-N 3.43Å
330	R	28.8	Very low	27.2	Very low	145 Å²	145	124.9 Å²	124.9	55%	0.547	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.6	-6.3	170.2	-79.7	-175	168.7	-170.6	-7.5	114.1	R327 L328 S332	R327-R330 PolarHBondContact O-N 2.73Å; L328-R330 VanDerWaalsContact C-N 3.31Å; L328-R330 PolarHBondContact O-N 2.98Å; R330-S332 PolarHBondContact O-N 3.36Å
331	T	24.9	Very low	27.3	Very low	115 Å²	115	128.2 Å²	128.2	71%	0.706	66%	0.657	S	S	*	*			trans	-101.1	61.9	173.5	61	0	0	0	0	111	L328	L328-T331 PolarHBondContact O-OG1 3.45Å
332	S	24.6	Very low	27.7	Very low	96 Å²	96	133.4 Å²	133.4	67%	0.671	68%	0.678	S	S	*	*			trans	-146.1	61.1	162.7	72.2	0	0	0	0	110.7	R330	R330-S332 PolarHBondContact O-N 3.36Å
333	T	24.4	Very low	28.1	Very low	120 Å²	120	137.4 Å²	137.4	74%	0.736	70%	0.697	S	S	*	*	S	Bend	trans	-160.2	107.8	151.1	30.3	0	0	0	0	108.9
334	H	24.3	Very low	28.9	Very low	184 Å²	184	138.7 Å²	138.7	85%	0.852	71%	0.705	S	S	*	*	S	Bend	trans	69.6	125.9	162.2	-61.7	-73.9	0	0	0	120.9
335	S	25	Very low	29.9	Very low	102 Å²	102	139 Å²	139	71%	0.713	71%	0.71	S	S	*	*			trans	84.3	101.4	167.5	134.2	0	0	0	0	117.4	R337	S335-R337 PolarHBondContact O-N 3.23Å
336	I	24	Very low	31.9	Very low	161 Å²	161	139.8 Å²	139.8	83%	0.826	72%	0.723	S	S	*	*			trans	-62.1	116	163	-70.1	162.1	0	0	0	106.9
337	R	26.5	Very low	34.1	Very low	235 Å²	235	134.4 Å²	134.4	89%	0.887	69%	0.694	S	S	*	*			trans	-89.9	105.1	174.9	-75.1	-179.4	164.4	-176.9	-5.9	109.5	S335	S335-R337 PolarHBondContact O-N 3.23Å
338	T	23.9	Very low	36.4	Very low	122 Å²	122	129.5 Å²	129.5	75%	0.748	68%	0.683	S	S	*	*			trans	-88.9	145.9	159.7	38.3	0	0	0	0	109.6
339	D	26.6	Very low	38.8	Very low	178 Å²	178	128.5 Å²	128.5	95%	0.952	67%	0.673	S	S	*	*	S	Bend	trans	-40.3	140.6	172.7	-92	-34	0	0	0	113.8
340	G	27.3	Very low	41.2	Very low	56 Å²	56	124 Å²	124	58%	0.577	67%	0.67	S	S	*	*			trans	117.3	117.5	165.7	0	0	0	0	0	114.2
341	D	31.2	Very low	43.7	Very low	151 Å²	151	120.7 Å²	120.7	81%	0.807	66%	0.662	S	S	*	*			trans	75	127.3	168.6	-61	-19.9	0	0	0	118.5	N343	D341-N343 PolarHBondContact O-N 3.45Å
342	E	35.4	Very low	46.4	Very low	199 Å²	199	115.2 Å²	115.2	93%	0.93	63%	0.629	S	S	*	*			trans	-54.8	77.6	173.6	-61.2	178.9	152.3	0	0	110.5	E344	E342-E344 PolarHBondContact O-N 2.87Å
343	N	38.7	Very low	49.2	Very low	141 Å²	141	112.2 Å²	112.2	75%	0.754	61%	0.607	S	S	*	*			trans	-75.7	81.7	174.6	-77.8	-45.6	0	0	0	108.7	D341 V345	D341-N343 PolarHBondContact O-N 3.45Å; N343-V345 PolarHBondContact O-N 3.31Å
344	E	49.9	Very low	52.3	Low	142 Å²	142	106.5 Å²	106.5	66%	0.664	57%	0.572	S	S	*	*			trans	-39.6	132.3	155.7	-147.4	175.4	-166.7	0	0	107.7	E342 V346	E342-E344 PolarHBondContact O-N 2.87Å; E344-V346 VanDerWaalsContact C-N 3.28Å; E344-V346 WeakPolarHBondContact O-CG2 3.26Å; E344-V346 PolarHBondContact O-N 2.87Å
345	V	53.6	Low	55.2	Low	90 Å²	90	102.6 Å²	102.6	55%	0.545	55%	0.553	S	S	.	*			trans	-64.3	93.3	-179.2	177.3	0	0	0	0	107.7	N343 L347 Q529	N343-V345 PolarHBondContact O-N 3.31Å; V345-L347 PolarHBondContact O-N 2.95Å; V345-L347 VanDerWaalsContact O-N 3.14Å; V345-Q529 PolarHBondContact O-NE2 3.36Å
346	V	67.4	Low	58.3	Low	115 Å²	115	97.9 Å²	97.9	70%	0.697	52%	0.52	S	S	*	.			trans	-75.2	106.3	180	-176.2	0	0	0	0	107.8	E344 T348	E344-V346 VanDerWaalsContact C-N 3.28Å; E344-V346 WeakPolarHBondContact O-CG2 3.26Å; E344-V346 PolarHBondContact O-N 2.87Å; V346-T348 PolarHBondContact O-N 3.41Å
347	L	76.2	Confident	61.4	Low	12 Å²	12	93.8 Å²	93.8	6%	0.063	50%	0.5	C	S	.	.			trans	-58.4	136	171.2	-72.5	178.9	0	0	0	110.3	V345 D351 V507 T511 A513 F527 Q529	V345-L347 PolarHBondContact O-N 2.95Å; V345-L347 VanDerWaalsContact O-N 3.14Å; L347-D351 HydrophobicContact CD2-CB 3.99Å; L347-V507 HydrophobicContact CD1-CG2 3.99Å; L347-V507 HydrophobicContact CD2-CB 4.28Å; L347-V507 HydrophobicContact CD2-CG1 3.79Å; L347-V507 HydrophobicContact CD2-CG2 4.15Å; L347-T511 HydrophobicContact CD1-CG2 3.92Å; L347-T511 HydrophobicContact CD2-CG2 4.16Å; L347-T511 HydrophobicContact CG-CG2 4.26Å; L347-A513 HydrophobicContact CD1-CB 3.85Å; L347-F527 HydrophobicContact CB-CE2 3.87Å; L347-F527 HydrophobicContact CB-CZ 4.46Å; L347-F527 WeakPolarHBondContact O-CZ 3.24Å; L347-Q529 HydrophobicContact CD1-CG 3.45Å; L347-Q529 VanDerWaalsContact CD1-CG 3.45Å; L347-Q529 HydrophobicContact CG-CG 3.98Å
348	T	79	Confident	64.4	Low	63 Å²	63	82.7 Å²	82.7	39%	0.387	46%	0.458	S	S	.	.			trans	-95.2	160.6	170.9	66.7	0	0	0	0	110.1	V346 S350 D351	V346-T348 PolarHBondContact O-N 3.41Å; T348-S350 PolarHBondContact O-N 3.42Å; T348-S350 VanDerWaalsContact O-N 3.16Å; T348-S350 PolarHBondContact OG1-OG 2.98Å; T348-D351 WeakPolarHBondContact CB-OD2 3.32Å; T348-D351 PolarHBondContact N-OD2 3.03Å; T348-D351 WeakPolarHBondContact O-CB 3.18Å; T348-D351 PolarHBondContact O-N 3.14Å; T348-D351 PolarHBondContact OG1-OD2 3.34Å
349	K	76.7	Confident	67.6	Low	92 Å²	92	80.4 Å²	80.4	40%	0.4	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-59.3	-26.5	174.5	-70.1	-177.1	169.7	-176.2	0	113.2	D351 V352 E523 P524 F527	K349-D351 VanDerWaalsContact C-N 3.31Å; K349-V352 VanDerWaalsContact O-CG2 3.27Å; K349-V352 WeakPolarHBondContact O-CG2 3.49Å; K349-E523 HydrophobicContact CD-CB 4.3Å; K349-E523 HydrophobicContact CD-CG 4.41Å; K349-E523 WeakPolarHBondContact CD-OE2 3.38Å; K349-E523 IonicContact NZ-OE2 3.09Å; K349-E523 PolarHBondContact NZ-OE2 3.28Å; K349-P524 HydrophobicContact CG-CG 4.46Å; K349-F527 HydrophobicContact CG-CE1 4.02Å
350	S	77.1	Confident	70.7	Confident	86 Å²	86	71.9 Å²	71.9	60%	0.601	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-67.5	-28.3	174.8	27.3	0	0	0	0	113.4	T348 V352	T348-S350 PolarHBondContact O-N 3.42Å; T348-S350 VanDerWaalsContact O-N 3.16Å; T348-S350 PolarHBondContact OG1-OG 2.98Å; S350-V352 PolarHBondContact O-N 3.5Å
351	D	80	Confident	73.8	Confident	74 Å²	74	70.3 Å²	70.3	40%	0.396	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-74.3	-15.1	-176.8	-58.9	-42.7	0	0	0	112.8	L347 T348 K349 V507	L347-D351 HydrophobicContact CD2-CB 3.99Å; T348-D351 WeakPolarHBondContact CB-OD2 3.32Å; T348-D351 PolarHBondContact N-OD2 3.03Å; T348-D351 WeakPolarHBondContact O-CB 3.18Å; T348-D351 PolarHBondContact O-N 3.14Å; T348-D351 PolarHBondContact OG1-OD2 3.34Å; K349-D351 VanDerWaalsContact C-N 3.31Å; D351-V507 HydrophobicContact CB-CG1 4.11Å
352	V	83	Confident	76.7	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-113.5	17.3	-176.3	-65	0	0	0	0	112.9	K349 S350 L354 I505 V507 A513 Y517 P524	K349-V352 VanDerWaalsContact O-CG2 3.27Å; K349-V352 WeakPolarHBondContact O-CG2 3.49Å; S350-V352 PolarHBondContact O-N 3.5Å; V352-L354 PolarHBondContact O-N 3.49Å; V352-I505 HydrophobicContact CB-CD1 4Å; V352-I505 WeakPolarHBondContact O-CD1 3.39Å; V352-V507 HydrophobicContact CG1-CG2 3.91Å; V352-A513 HydrophobicContact CG1-CB 3.77Å; V352-Y517 PolarHBondContact O-OH 3.36Å; V352-P524 HydrophobicContact CG2-CG 3.73Å
353	V	83.8	Confident	79.5	Confident	34 Å²	34	55.9 Å²	55.9	21%	0.206	30%	0.302	C	S	.	.			trans	-71.6	126.3	175.6	178.9	0	0	0	0	110.1	Q410	V353-Q410 HydrophobicContact CG1-CB 4.29Å; V353-Q410 HydrophobicContact CG1-CG 4.08Å
354	L	87.7	Confident	82.2	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.276	C	S	.	.			trans	-100.5	148.9	178.1	-63.7	175.6	0	0	0	110.3	V352 F356 Q410 P412 P477 L480 C503 I505	V352-L354 PolarHBondContact O-N 3.49Å; L354-F356 HydrophobicContact CB-CD2 4.23Å; L354-F356 HydrophobicContact CB-CE2 3.4Å; L354-F356 HydrophobicContact CB-CZ 3.84Å; L354-F356 HydrophobicContact CD1-CE2 4.06Å; L354-F356 HydrophobicContact CD1-CZ 3.73Å; L354-F356 HydrophobicContact CG-CE2 4.39Å; L354-F356 HydrophobicContact CG-CZ 4.42Å; L354-Q410 VanDerWaalsContact O-CA 3.27Å; L354-Q410 WeakPolarHBondContact O-CA 3.38Å; L354-P412 HydrophobicContact CD1-CG 4.24Å; L354-P477 HydrophobicContact CB-CG 4.39Å; L354-P477 HydrophobicContact CD2-CG 4.31Å; L354-L480 HydrophobicContact CD1-CB 4.3Å; L354-L480 HydrophobicContact CD1-CD1 3.9Å; L354-L480 HydrophobicContact CD1-CD2 4.21Å; L354-L480 HydrophobicContact CD1-CG 4.37Å; L354-L480 HydrophobicContact CD2-CB 4.14Å; L354-C503 HydrophobicContact CD1-CB 4.34Å; L354-I505 HydrophobicContact CD1-CD1 3.71Å; L354-I505 HydrophobicContact CD1-CG1 4.09Å; L354-I505 HydrophobicContact CD2-CD1 3.95Å; L354-I505 HydrophobicContact CD2-CG1 4.06Å; L354-I505 HydrophobicContact CD2-CG2 4Å; L354-I505 HydrophobicContact CG-CD1 3.76Å; L354-I505 HydrophobicContact CG-CG1 4.32Å
355	H	87.1	Confident	84.3	Confident	101 Å²	101	44.8 Å²	44.8	47%	0.468	25%	0.246	S	C	.	.			trans	-122.7	118.7	177.2	-65.7	79.3	0	0	0	108.8	Q410 P477	H355-Q410 PolarHBondContact NE2-NE2 2.84Å; H355-P477 VanDerWaalsContact O-CB 3.31Å; H355-P477 WeakPolarHBondContact O-CB 3.37Å; H355-P477 WeakPolarHBondContact O-CG 3.47Å
356	F	88.5	Confident	86.2	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.018	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	135.6	-178.5	-60.6	-94.7	0	0	0	110.1	L354 L358 T408 T409 P412 P444 P477 L480	L354-F356 HydrophobicContact CB-CD2 4.23Å; L354-F356 HydrophobicContact CB-CE2 3.4Å; L354-F356 HydrophobicContact CB-CZ 3.84Å; L354-F356 HydrophobicContact CD1-CE2 4.06Å; L354-F356 HydrophobicContact CD1-CZ 3.73Å; L354-F356 HydrophobicContact CG-CE2 4.39Å; L354-F356 HydrophobicContact CG-CZ 4.42Å; F356-L358 HydrophobicContact CB-CD1 4.09Å; F356-T408 WeakPolarHBondContact O-CA 3.34Å; F356-T409 HydrophobicContact CB-CG2 4.1Å; F356-T409 PolarHBondContact N-O 3.24Å; F356-T409 PolarHBondContact O-N 3.15Å; F356-P412 VanDerWaalsContact CE2-CA 3.41Å; F356-P412 HydrophobicContact CE2-CB 3.83Å; F356-P412 HydrophobicContact CE2-CG 3.91Å; F356-P412 HydrophobicContact CZ-CB 3.83Å; F356-P412 HydrophobicContact CZ-CG 4.28Å; F356-P444 HydrophobicContact CD1-CG 4.33Å; F356-P444 HydrophobicContact CE1-CB 4.45Å; F356-P444 HydrophobicContact CE1-CG 3.67Å; F356-P444 HydrophobicContact CZ-CG 4.42Å; F356-P477 VanDerWaalsContact CD1-CD 3.42Å; F356-P477 HydrophobicContact CD1-CG 4.05Å; F356-P477 HydrophobicContact CE1-CG 3.83Å; F356-P477 HydrophobicContact CZ-CG 4.12Å; F356-L480 HydrophobicContact CE1-CD2 3.74Å; F356-L480 HydrophobicContact CZ-CD2 3.87Å
357	N	89.4	Confident	87.3	Confident	74 Å²	74	42.3 Å²	42.3	40%	0.396	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128	166.8	-59.6	-38.7	0	0	0	108.5	F407 T408 E475	N357-F407 CarbonylContact C-O 3.51Å; N357-F407 WeakPolarHBondContact CA-O 3.46Å; N357-T408 PolarHBondContact OD1-OG1 3.47Å; N357-E475 HydrophobicContact CB-CB 4.12Å; N357-E475 PolarHBondContact ND2-OE2 3.06Å; N357-E475 PolarHBondContact O-N 3.34Å
358	L	89.5	Confident	88	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129	178.5	-65.8	97.7	0	0	0	110	F356 D406 F407 T409 P414 I416 P442 R473 T474	F356-L358 HydrophobicContact CB-CD1 4.09Å; L358-D406 WeakPolarHBondContact O-CA 3.28Å; L358-F407 HydrophobicContact CB-CB 4.39Å; L358-F407 PolarHBondContact N-O 3.38Å; L358-F407 PolarHBondContact O-N 3.22Å; L358-T409 HydrophobicContact CD1-CG2 3.28Å; L358-P414 HydrophobicContact CD1-CG 4.49Å; L358-P414 HydrophobicContact CD2-CB 4.5Å; L358-P414 HydrophobicContact CD2-CG 3.77Å; L358-I416 HydrophobicContact CD2-CD1 3.92Å; L358-P442 HydrophobicContact CD2-CG 4.16Å; L358-R473 CarbonylContact C-O 3.55Å; L358-R473 VanDerWaalsContact CA-O 3.32Å; L358-R473 WeakPolarHBondContact CA-O 3.49Å; L358-T474 HydrophobicContact CD2-CG2 3.68Å; L358-T474 HydrophobicContact CG-CG2 3.98Å
359	E	90.6	Very high	88.4	Confident	74 Å²	74	48.4 Å²	48.4	35%	0.346	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	124.8	170.9	-47.6	171.1	159.7	0	0	107.6	Q404 G405 I472 R473	E359-Q404 HydrophobicContact CB-CG 4.46Å; E359-G405 WeakPolarHBondContact CA-O 3.4Å; E359-I472 WeakPolarHBondContact O-CA 3.23Å; E359-R473 HydrophobicContact CB-CB 4.16Å; E359-R473 PolarHBondContact N-O 3.31Å; E359-R473 PolarHBondContact O-N 3.08Å; E359-R473 WeakPolarHBondContact OE2-CD 3.34Å
360	V	92.4	Very high	88.8	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	109.8	179.1	-175.7	0	0	0	0	108.5	M381 V383 Q404 G405 F407 I416 M470 I472	V360-M381 HydrophobicContact CB-SD 4.07Å; V360-M381 HydrophobicContact CG1-CB 4.42Å; V360-M381 HydrophobicContact CG1-SD 4.2Å; V360-V383 HydrophobicContact CG2-CG2 4.49Å; V360-Q404 CarbonylContact O-C 3.28Å; V360-Q404 WeakPolarHBondContact O-CA 3.34Å; V360-G405 PolarHBondContact N-O 3.26Å; V360-G405 PolarHBondContact O-N 3.16Å; V360-F407 HydrophobicContact CB-CE2 4.14Å; V360-F407 HydrophobicContact CG2-CD2 4.02Å; V360-F407 HydrophobicContact CG2-CE2 4Å; V360-I416 HydrophobicContact CG1-CG2 4.34Å; V360-I416 HydrophobicContact CG2-CD1 3.74Å; V360-I416 HydrophobicContact CG2-CG2 4.21Å; V360-M470 HydrophobicContact CG1-CE 3.18Å; V360-I472 HydrophobicContact CG1-CG1 4.45Å
361	V	92.5	Very high	89.3	Confident	23 Å²	23	43.8 Å²	43.8	14%	0.139	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	117.9	179.6	-170.7	0	0	0	0	108.9	L363 Q404 M470 A471	V361-L363 HydrophobicContact CG1-CD2 3.85Å; V361-L363 HydrophobicContact CG1-CG 4.4Å; V361-Q404 HydrophobicContact CG2-CB 4Å; V361-Q404 HydrophobicContact CG2-CG 4Å; V361-M470 CarbonylContact O-C 3.53Å; V361-M470 WeakPolarHBondContact O-CA 3.39Å; V361-M470 WeakPolarHBondContact O-CB 3.34Å; V361-A471 HydrophobicContact CB-CB 4.34Å; V361-A471 PolarHBondContact N-O 3.17Å; V361-A471 PolarHBondContact O-N 2.89Å
362	V	93.1	Very high	89.7	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.7	173.7	178	0	0	0	0	108.4	C379 M381 T391 W401 T403 V418 I468 M470	V362-C379 HydrophobicContact CG1-CB 4.2Å; V362-M381 HydrophobicContact CB-CE 4.46Å; V362-M381 HydrophobicContact CG2-CE 3.76Å; V362-T391 HydrophobicContact CB-CG2 4.12Å; V362-T391 HydrophobicContact CG1-CG2 4.45Å; V362-T391 HydrophobicContact CG2-CG2 4.33Å; V362-W401 HydrophobicContact CG1-CD2 4.47Å; V362-W401 HydrophobicContact CG1-CE3 3.96Å; V362-W401 CarbonylContact O-C 3.56Å; V362-W401 VanDerWaalsContact O-O 3.1Å; V362-T403 PolarHBondContact N-O 3.35Å; V362-V418 HydrophobicContact CG2-CG1 4.27Å; V362-I468 HydrophobicContact CG1-CD1 3.89Å; V362-I468 HydrophobicContact CG1-CG1 4.35Å; V362-M470 HydrophobicContact CG2-CE 3.71Å; V362-M470 HydrophobicContact CG2-CG 4.26Å; V362-M470 HydrophobicContact CG2-SD 4.11Å
363	L	93.8	Very high	90	Very high	47 Å²	47	47.8 Å²	47.8	25%	0.246	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-56.5	-171.9	-63.8	170.9	0	0	0	113.2	V361 T400 W401 P450 R469	V361-L363 HydrophobicContact CG1-CD2 3.85Å; V361-L363 HydrophobicContact CG1-CG 4.4Å; L363-T400 CarbonylContact O-C 3.34Å; L363-T400 VanDerWaalsContact O-CA 3.31Å; L363-T400 WeakPolarHBondContact O-CA 3.48Å; L363-W401 CarbonylContact C-O 3.05Å; L363-W401 WeakPolarHBondContact CA-O 3.3Å; L363-W401 PolarHBondContact O-N 3.38Å; L363-P450 HydrophobicContact CD1-CB 3.52Å; L363-P450 HydrophobicContact CD1-CG 3.84Å; L363-R469 HydrophobicContact CB-CB 4.37Å; L363-R469 HydrophobicContact CD1-CG 4.26Å; L363-R469 PolarHBondContact N-O 3.17Å
364	E	94.2	Very high	90.2	Very high	46 Å²	46	51.9 Å²	51.9	22%	0.215	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	154.3	-173.7	51.5	176.4	168	0	0	112.2	P399 T400 W452 I468 R469	E364-P399 CarbonylContact C-O 3.15Å; E364-P399 VanDerWaalsContact CA-O 3.27Å; E364-P399 WeakPolarHBondContact CA-O 2.9Å; E364-T400 HydrophobicContact CB-CG2 4.11Å; E364-W452 HydrophobicContact CB-CH2 4.42Å; E364-W452 HydrophobicContact CG-CH2 3.53Å; E364-W452 HydrophobicContact CG-CZ2 3.89Å; E364-W452 HydrophobicContact CG-CZ3 4.38Å; E364-W452 VanDerWaalsContact OE1-CZ2 3.23Å; E364-W452 WeakPolarHBondContact OE1-CZ2 3.35Å; E364-I468 CarbonylContact O-C 3.56Å; E364-I468 WeakPolarHBondContact O-CA 3.18Å; E364-R469 HydrophobicContact CG-CB 3.61Å; E364-R469 HydrophobicContact CG-CG 4.41Å; E364-R469 PolarHBondContact N-O 3.15Å; E364-R469 PolarHBondContact O-N 2.71Å; E364-R469 WeakPolarHBondContact OE1-CD 3.43Å; E364-R469 IonicContact OE1-CZ 3.76Å; E364-R469 IonicContact OE1-NE 3.88Å; E364-R469 IonicContact OE1-NH1 2.59Å; E364-R469 PolarHBondContact OE1-NH1 3.22Å
365	A	94	Very high	90.4	Very high	4 Å²	4	54.1 Å²	54.1	3%	0.033	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	151.7	172.8	0	0	0	0	0	111.7	L368 P399 W401 L420 R467	A365-L368 HydrophobicContact CB-CD1 4.1Å; A365-P399 HydrophobicContact CB-CB 4.33Å; A365-P399 PolarHBondContact N-O 2.72Å; A365-P399 WeakPolarHBondContact O-CG 3.47Å; A365-W401 HydrophobicContact CB-CH2 4.37Å; A365-W401 HydrophobicContact CB-CZ3 3.98Å; A365-L420 HydrophobicContact CB-CD2 4.17Å; A365-R467 CarbonylContact C-O 3.32Å; A365-R467 WeakPolarHBondContact CA-O 3.35Å
366	Q	93.2	Very high	90.6	Very high	88 Å²	88	51.5 Å²	51.5	41%	0.411	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	162.3	-179.8	-79.3	-178.6	6.2	0	0	112.1	W452 R467	Q366-W452 HydrophobicContact CB-CH2 4.12Å; Q366-W452 HydrophobicContact CB-CZ3 4.07Å; Q366-W452 HydrophobicContact CG-CH2 3.49Å; Q366-W452 VanDerWaalsContact CG-CH2 3.49Å; Q366-W452 HydrophobicContact CG-CZ2 4.3Å; Q366-W452 HydrophobicContact CG-CZ3 3.97Å; Q366-R467 PolarHBondContact N-O 2.93Å; Q366-R467 PolarHBondContact O-N 2.87Å
367	N	91.9	Very high	90.9	Very high	64 Å²	64	51.3 Å²	51.3	34%	0.342	27%	0.273	S	S	.	.			trans	69.5	38	-179.9	-55.5	-41.6	0	0	0	115	K369 D463 N465	N367-K369 VanDerWaalsContact C-N 3.34Å; N367-K369 PolarHBondContact O-N 3.28Å; N367-D463 WeakPolarHBondContact O-CB 3.23Å; N367-D463 VanDerWaalsContact O-CG 3.27Å; N367-N465 WeakPolarHBondContact CB-O 3.41Å; N367-N465 PolarHBondContact ND2-O 3.45Å
368	L	90.6	Very high	91.1	Very high	19 Å²	19	48.9 Å²	48.9	10%	0.099	26%	0.259	C	S	.	.			trans	-89.8	46.7	176.8	-70.7	154.6	0	0	0	112.7	A365 S370 V371 L377 P399 L420 L435 D463 L466	A365-L368 HydrophobicContact CB-CD1 4.1Å; L368-S370 VanDerWaalsContact C-N 3.33Å; L368-S370 PolarHBondContact O-N 3.49Å; L368-V371 HydrophobicContact CB-CB 4.45Å; L368-V371 HydrophobicContact CB-CG2 4.39Å; L368-V371 HydrophobicContact CD2-CG2 3.87Å; L368-V371 PolarHBondContact O-N 2.9Å; L368-L377 HydrophobicContact CD1-CD1 3.6Å; L368-L377 HydrophobicContact CD2-CD1 4.2Å; L368-P399 HydrophobicContact CD1-CB 3.85Å; L368-P399 HydrophobicContact CD1-CG 3.83Å; L368-L420 HydrophobicContact CD2-CD2 3.94Å; L368-L435 HydrophobicContact CD2-CD1 3.68Å; L368-D463 VanDerWaalsContact C-OD2 3.24Å; L368-D463 WeakPolarHBondContact CA-OD2 3.34Å; L368-L466 HydrophobicContact CD2-CD2 3.43Å; L368-L466 VanDerWaalsContact CD2-CD2 3.43Å; L368-L466 HydrophobicContact CG-CD2 3.7Å
369	K	86.9	Confident	91.4	Very high	185 Å²	185	48.8 Å²	48.8	80%	0.804	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-27.7	-169.8	-63.3	-177.1	-179.7	-177.7	0	113.8	N367 D463	N367-K369 VanDerWaalsContact C-N 3.34Å; N367-K369 PolarHBondContact O-N 3.28Å; K369-D463 PolarHBondContact N-OD1 3.03Å; K369-D463 VanDerWaalsContact N-OD1 3.16Å; K369-D463 PolarHBondContact N-OD2 2.92Å; K369-D463 VanDerWaalsContact N-OD2 3.11Å
370	S	85.5	Confident	91.5	Very high	64 Å²	64	45.6 Å²	45.6	45%	0.448	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-8.8	-179.3	72.5	0	0	0	0	113.7	L368 D463	L368-S370 VanDerWaalsContact C-N 3.33Å; L368-S370 PolarHBondContact O-N 3.49Å; S370-D463 VanDerWaalsContact CB-OD2 3.31Å; S370-D463 WeakPolarHBondContact CB-OD2 3.11Å; S370-D463 VanDerWaalsContact N-CG 3.35Å; S370-D463 PolarHBondContact N-OD1 3.19Å; S370-D463 VanDerWaalsContact N-OD1 3.08Å; S370-D463 PolarHBondContact N-OD2 2.93Å; S370-D463 PolarHBondContact OG-OD2 3.22Å
371	V	88.6	Confident	91.6	Very high	17 Å²	17	45.6 Å²	45.6	10%	0.103	24%	0.244	C	C	.	.	S	Bend	trans	-90.1	129.8	179.9	-175.7	0	0	0	0	109.3	L368 K375 L377 A396 L435	L368-V371 HydrophobicContact CB-CB 4.45Å; L368-V371 HydrophobicContact CB-CG2 4.39Å; L368-V371 HydrophobicContact CD2-CG2 3.87Å; L368-V371 PolarHBondContact O-N 2.9Å; V371-K375 HydrophobicContact CG1-CB 3.69Å; V371-K375 HydrophobicContact CG1-CG 3.96Å; V371-L377 HydrophobicContact CG1-CD2 4.22Å; V371-A396 HydrophobicContact CB-CB 4.26Å; V371-A396 HydrophobicContact CG1-CB 3.69Å; V371-L435 HydrophobicContact CG2-CD1 3.88Å; V371-L435 HydrophobicContact CG2-CD2 4.24Å
372	P	87.8	Confident	91.5	Very high	71 Å²	71	47.9 Å²	47.9	46%	0.461	25%	0.253	S	S	.	.			trans	-55.6	136.2	175.1	-24.8	33.8	0	0	0	111.3	N374 K375 A396	P372-N374 PolarHBondContact O-N 3.44Å; P372-N374 VanDerWaalsContact O-N 3.12Å; P372-K375 HydrophobicContact CB-CB 4.41Å; P372-K375 WeakPolarHBondContact O-CB 2.91Å; P372-K375 PolarHBondContact O-N 3.42Å; P372-A396 WeakPolarHBondContact O-CB 3.36Å
373	P	88.1	Confident	91.3	Very high	86 Å²	86	48 Å²	48	56%	0.558	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-27.6	-171.9	21.1	-32.4	0	0	0	113.9	A396 S397	P373-A396 PolarHBondContact O-N 3.09Å; P373-S397 WeakPolarHBondContact O-CB 3.26Å; P373-S397 PolarHBondContact O-N 3.19Å
374	N	89.6	Confident	90.6	Very high	120 Å²	120	48.7 Å²	48.7	64%	0.642	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	4.3	177.7	67	-30.8	0	0	0	113.9	P372	P372-N374 PolarHBondContact O-N 3.44Å; P372-N374 VanDerWaalsContact O-N 3.12Å
375	K	90.7	Very high	89.4	Confident	48 Å²	48	49.7 Å²	49.7	21%	0.209	28%	0.278	C	S	.	.			trans	-74.5	131.5	179.3	-168.2	64.2	162.9	170.6	0	109.3	V371 P372 A396 A422 E423	V371-K375 HydrophobicContact CG1-CB 3.69Å; V371-K375 HydrophobicContact CG1-CG 3.96Å; P372-K375 HydrophobicContact CB-CB 4.41Å; P372-K375 WeakPolarHBondContact O-CB 2.91Å; P372-K375 PolarHBondContact O-N 3.42Å; K375-A396 HydrophobicContact CB-CB 4.5Å; K375-A396 PolarHBondContact O-N 3.47Å; K375-A422 HydrophobicContact CG-CB 3.99Å; K375-E423 WeakPolarHBondContact CE-O 2.99Å; K375-E423 PolarHBondContact NZ-O 3.19Å
376	V	91.5	Very high	88.6	Confident	46 Å²	46	51.9 Å²	51.9	28%	0.279	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	131.1	175.8	-177.7	0	0	0	0	110.1	S393 A422 E423	V376-S393 VanDerWaalsContact CG1-CB 3.48Å; V376-A422 WeakPolarHBondContact O-CA 3.26Å; V376-E423 HydrophobicContact CB-CB 4.16Å; V376-E423 HydrophobicContact CG1-CB 4.4Å; V376-E423 WeakPolarHBondContact CG1-OE2 3.25Å; V376-E423 PolarHBondContact O-N 2.92Å
377	L	94.5	Very high	87.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	148.6	-179.9	-56	-174.8	0	0	0	110.4	L368 V371 S394 A396 P399 W401 L420 F421 A422 L435	L368-L377 HydrophobicContact CD1-CD1 3.6Å; L368-L377 HydrophobicContact CD2-CD1 4.2Å; V371-L377 HydrophobicContact CG1-CD2 4.22Å; L377-S394 WeakPolarHBondContact CA-O 3.44Å; L377-S394 WeakPolarHBondContact CB-O 3.28Å; L377-S394 PolarHBondContact N-O 3.26Å; L377-S394 PolarHBondContact O-N 3.17Å; L377-A396 HydrophobicContact CD1-CB 3.78Å; L377-A396 HydrophobicContact CG-CB 4.1Å; L377-P399 HydrophobicContact CD1-CB 4.13Å; L377-W401 HydrophobicContact CB-CH2 4.35Å; L377-W401 HydrophobicContact CB-CZ2 4.01Å; L377-L420 HydrophobicContact CB-CD1 4.29Å; L377-F421 VanDerWaalsContact CA-O 3.26Å; L377-F421 WeakPolarHBondContact CA-O 3.41Å; L377-A422 HydrophobicContact CD2-CB 3.7Å; L377-L435 HydrophobicContact CD2-CD1 3.68Å
378	Y	94.6	Very high	87.6	Confident	23 Å²	23	52.9 Å²	52.9	9%	0.09	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	159.5	168.6	66.4	-93.2	0	0	0	110.5	T380 Q390 F421 E423 D432	Y378-T380 HydrophobicContact CD2-CG2 4.18Å; Y378-T380 HydrophobicContact CE2-CG2 3.86Å; Y378-Q390 HydrophobicContact CD2-CG 3.68Å; Y378-Q390 HydrophobicContact CE2-CG 4.18Å; Y378-Q390 HydrophobicContact CG-CG 4.42Å; Y378-F421 HydrophobicContact CD1-CB 4.29Å; Y378-F421 HydrophobicContact CD2-CB 4.27Å; Y378-F421 HydrophobicContact CD2-CD2 4.36Å; Y378-F421 HydrophobicContact CE1-CB 3.83Å; Y378-F421 HydrophobicContact CE2-CB 3.8Å; Y378-F421 AromaticContact CE2-CD2 3.73Å; Y378-F421 HydrophobicContact CE2-CD2 3.73Å; Y378-F421 AromaticContact CE2-CG 3.99Å; Y378-F421 HydrophobicContact CE2-CG 3.99Å; Y378-F421 AromaticContact CZ-CG 3.98Å; Y378-F421 PolarHBondContact N-O 3.13Å; Y378-F421 VanDerWaalsContact N-O 3.1Å; Y378-F421 PolarHBondContact O-N 3.05Å; Y378-E423 HydrophobicContact CE1-CB 4.4Å; Y378-D432 HydrophobicContact CE1-CB 4.3Å; Y378-D432 VanDerWaalsContact CE1-OD2 3.23Å; Y378-D432 WeakPolarHBondContact CE1-OD2 3.11Å; Y378-D432 VanDerWaalsContact CZ-OD2 3.29Å; Y378-D432 WeakPolarHBondContact OH-CB 2.91Å; Y378-D432 PolarHBondContact OH-OD2 2.87Å
379	C	94.6	Very high	87.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	149	174	-66.5	0	0	0	0	110.9	V362 Q390 T391 V418 K419 L420	V362-C379 HydrophobicContact CG1-CB 4.2Å; C379-Q390 WeakPolarHBondContact O-CA 3.4Å; C379-T391 HydrophobicContact CB-CG2 3.74Å; C379-T391 PolarHBondContact N-OG1 2.87Å; C379-T391 PolarHBondContact O-N 2.9Å; C379-T391 PolarHBondContact O-OG1 3.35Å; C379-V418 HydrophobicContact CB-CG1 4.35Å; C379-K419 CarbonylContact C-O 3.54Å; C379-K419 WeakPolarHBondContact CA-O 3.1Å; C379-L420 VanDerWaalsContact SG-CD1 3.53Å
380	T	93.7	Very high	87.8	Confident	7 Å²	7	52 Å²	52	4%	0.043	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	140.8	164.7	62.9	0	0	0	0	109	Y378 K388 L389 Q390 V418 K419 F421	Y378-T380 HydrophobicContact CD2-CG2 4.18Å; Y378-T380 HydrophobicContact CE2-CG2 3.86Å; T380-K388 VanDerWaalsContact CB-CE 3.5Å; T380-L389 CarbonylContact C-O 3.59Å; T380-L389 VanDerWaalsContact CA-O 3.31Å; T380-L389 WeakPolarHBondContact CA-O 3.49Å; T380-Q390 HydrophobicContact CG2-CB 4.41Å; T380-Q390 HydrophobicContact CG2-CG 4.19Å; T380-V418 CarbonylContact O-C 3.58Å; T380-V418 WeakPolarHBondContact O-CA 3.22Å; T380-K419 PolarHBondContact N-O 3.17Å; T380-K419 PolarHBondContact O-N 3.5Å; T380-F421 HydrophobicContact CG2-CD2 4.25Å; T380-F421 HydrophobicContact CG2-CE2 4.05Å
381	M	93.4	Very high	88.1	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129.4	177.8	52.1	176.5	95.6	0	0	108.9	V360 V362 K388 L389 T391 T403 G405 F407 V418	V360-M381 HydrophobicContact CB-SD 4.07Å; V360-M381 HydrophobicContact CG1-CB 4.42Å; V360-M381 HydrophobicContact CG1-SD 4.2Å; V362-M381 HydrophobicContact CB-CE 4.46Å; V362-M381 HydrophobicContact CG2-CE 3.76Å; M381-K388 WeakPolarHBondContact O-CA 3.47Å; M381-L389 HydrophobicContact CG-CB 3.81Å; M381-L389 PolarHBondContact N-O 3.25Å; M381-L389 PolarHBondContact O-N 3.33Å; M381-L389 HydrophobicContact SD-CB 4.27Å; M381-T391 HydrophobicContact CE-CG2 3.92Å; M381-T403 HydrophobicContact CE-CG2 4.46Å; M381-G405 VanDerWaalsContact SD-CA 3.59Å; M381-F407 HydrophobicContact CB-CZ 4.42Å; M381-F407 HydrophobicContact CG-CE2 4.23Å; M381-F407 HydrophobicContact CG-CZ 3.86Å; M381-F407 HydrophobicContact SD-CE2 3.88Å; M381-F407 HydrophobicContact SD-CZ 4.03Å; M381-V418 HydrophobicContact CB-CG2 4.03Å
382	E	91.8	Very high	88.1	Confident	71 Å²	71	50.4 Å²	50.4	33%	0.332	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	123	-174.5	-179.3	-175.8	-168.1	0	0	107.9	K388 I416 K417	E382-K388 HydrophobicContact CB-CG 4.39Å; E382-I416 WeakPolarHBondContact O-CA 3.45Å; E382-K417 HydrophobicContact CB-CB 4.48Å; E382-K417 PolarHBondContact N-O 3.39Å; E382-K417 PolarHBondContact O-N 2.89Å; E382-K417 IonicContact OE2-NZ 3.9Å; E382-K417 PolarHBondContact OE2-NZ 2.87Å
383	V	88.7	Confident	88.2	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.7	171.2	-178.6	0	0	0	0	107.9	V360 G385 S386 F407 P414 I416	V360-V383 HydrophobicContact CG2-CG2 4.49Å; V383-G385 PolarHBondContact O-N 3.17Å; V383-S386 WeakPolarHBondContact O-CA 3.33Å; V383-S386 WeakPolarHBondContact O-CB 3.32Å; V383-S386 PolarHBondContact O-N 2.98Å; V383-F407 HydrophobicContact CB-CB 4.08Å; V383-F407 HydrophobicContact CB-CD1 4.06Å; V383-F407 HydrophobicContact CB-CD2 4.46Å; V383-F407 HydrophobicContact CB-CG 3.94Å; V383-F407 HydrophobicContact CG2-CB 3.79Å; V383-F407 HydrophobicContact CG2-CD1 3.84Å; V383-F407 HydrophobicContact CG2-CD2 3.43Å; V383-F407 VanDerWaalsContact CG2-CD2 3.43Å; V383-F407 HydrophobicContact CG2-CE1 4.27Å; V383-F407 HydrophobicContact CG2-CE2 3.88Å; V383-F407 HydrophobicContact CG2-CG 3.39Å; V383-F407 HydrophobicContact CG2-CZ 4.27Å; V383-P414 HydrophobicContact CG1-CB 4.25Å; V383-I416 HydrophobicContact CG2-CG1 4.13Å; V383-I416 HydrophobicContact CG2-CG2 4.48Å
384	E	77.9	Confident	88.4	Confident	63 Å²	63	47.7 Å²	47.7	29%	0.294	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	120.2	-175.3	-168.3	167.2	-166.3	0	0	111.6	H411 M415 R520	E384-H411 PolarHBondContact O-ND1 3.43Å; E384-H411 VanDerWaalsContact O-ND1 3.07Å; E384-M415 HydrophobicContact CB-CB 4.25Å; E384-M415 PolarHBondContact N-O 2.94Å; E384-M415 VanDerWaalsContact OE2-CB 3.23Å; E384-M415 WeakPolarHBondContact OE2-CB 3.45Å; E384-R520 VanDerWaalsContact CD-NE 3.29Å; E384-R520 WeakPolarHBondContact OE1-CD 3.24Å; E384-R520 IonicContact OE1-CZ 3.88Å; E384-R520 IonicContact OE1-NE 2.77Å; E384-R520 PolarHBondContact OE1-NE 2.75Å; E384-R520 VanDerWaalsContact OE1-NE 3.09Å; E384-R520 IonicContact OE1-NH1 2.67Å; E384-R520 IonicContact OE1-NH2 2.82Å; E384-R520 VanDerWaalsContact OE2-CD 3.26Å; E384-R520 WeakPolarHBondContact OE2-CD 3.36Å; E384-R520 VanDerWaalsContact OE2-CG 3.25Å; E384-R520 WeakPolarHBondContact OE2-CG 3.18Å; E384-R520 IonicContact OE2-CZ 3.78Å; E384-R520 IonicContact OE2-NE 2.7Å; E384-R520 PolarHBondContact OE2-NE 2.86Å; E384-R520 IonicContact OE2-NH2 3.88Å
385	G	69.7	Low	88.5	Confident	67 Å²	67	46.8 Å²	46.8	69%	0.691	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	91	2.5	-171.9	0	0	0	0	0	114.9	V383	V383-G385 PolarHBondContact O-N 3.17Å
386	S	76.8	Confident	88.5	Confident	49 Å²	49	45.1 Å²	45.1	34%	0.343	27%	0.273	S	S	.	.	S	Bend	trans	-124	-166.4	177.2	-152.9	0	0	0	0	111.1	V383 T408	V383-S386 WeakPolarHBondContact O-CA 3.33Å; V383-S386 WeakPolarHBondContact O-CB 3.32Å; V383-S386 PolarHBondContact O-N 2.98Å; S386-T408 WeakPolarHBondContact CB-O 3.48Å; S386-T408 PolarHBondContact OG-O 3.49Å
387	G	77.7	Confident	88.4	Confident	42 Å²	42	46.4 Å²	46.4	43%	0.433	28%	0.284	S	S	.	.			trans	-75.1	173.6	175.8	0	0	0	0	0	114.3	F407	G387-F407 WeakPolarHBondContact O-CE1 3.26Å
388	K	86.2	Confident	88.3	Confident	132 Å²	132	51.1 Å²	51.1	57%	0.574	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.2	169.5	-177.9	-177	176.9	-168.2	0	108.5	T380 M381 E382	T380-K388 VanDerWaalsContact CB-CE 3.5Å; M381-K388 WeakPolarHBondContact O-CA 3.47Å; E382-K388 HydrophobicContact CB-CG 4.39Å
389	L	90.7	Very high	88.2	Confident	74 Å²	74	50.8 Å²	50.8	39%	0.387	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	155.6	175.1	-64.2	173.1	0	0	0	110.4	T380 M381 F407	T380-L389 CarbonylContact C-O 3.59Å; T380-L389 VanDerWaalsContact CA-O 3.31Å; T380-L389 WeakPolarHBondContact CA-O 3.49Å; M381-L389 HydrophobicContact CG-CB 3.81Å; M381-L389 PolarHBondContact N-O 3.25Å; M381-L389 PolarHBondContact O-N 3.33Å; M381-L389 HydrophobicContact SD-CB 4.27Å; L389-F407 HydrophobicContact CB-CZ 4.06Å; L389-F407 HydrophobicContact CD1-CE1 3.87Å; L389-F407 HydrophobicContact CD1-CE2 4.18Å; L389-F407 HydrophobicContact CD1-CZ 3.59Å; L389-F407 HydrophobicContact CG-CE1 3.93Å; L389-F407 HydrophobicContact CG-CZ 3.85Å
390	Q	90.9	Very high	88.1	Confident	110 Å²	110	53.5 Å²	53.5	51%	0.514	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	141.5	179.1	-173.4	-177.8	-12.4	0	0	108.8	Y378 C379 T380	Y378-Q390 HydrophobicContact CD2-CG 3.68Å; Y378-Q390 HydrophobicContact CE2-CG 4.18Å; Y378-Q390 HydrophobicContact CG-CG 4.42Å; C379-Q390 WeakPolarHBondContact O-CA 3.4Å; T380-Q390 HydrophobicContact CG2-CB 4.41Å; T380-Q390 HydrophobicContact CG2-CG 4.19Å
391	T	92	Very high	88.1	Confident	8 Å²	8	54.2 Å²	54.2	5%	0.049	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-76.1	167.3	172.4	67.8	0	0	0	0	111.2	V362 C379 M381 W401 T403	V362-T391 HydrophobicContact CB-CG2 4.12Å; V362-T391 HydrophobicContact CG1-CG2 4.45Å; V362-T391 HydrophobicContact CG2-CG2 4.33Å; C379-T391 HydrophobicContact CB-CG2 3.74Å; C379-T391 PolarHBondContact N-OG1 2.87Å; C379-T391 PolarHBondContact O-N 2.9Å; C379-T391 PolarHBondContact O-OG1 3.35Å; M381-T391 HydrophobicContact CE-CG2 3.92Å; T391-W401 HydrophobicContact CG2-CG 4.45Å; T391-W401 PolarHBondContact OG1-NE1 2.92Å; T391-T403 HydrophobicContact CG2-CG2 4.45Å
392	G	89.8	Confident	87.7	Confident	41 Å²	41	60.9 Å²	60.9	42%	0.423	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-59.8	168.8	163.6	0	0	0	0	0	112.8	W401	G392-W401 PolarHBondContact O-NE1 3.46Å
393	S	89.6	Confident	87.7	Confident	81 Å²	81	59.2 Å²	59.2	57%	0.566	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-79.8	139.8	174.1	-67.6	0	0	0	0	111.3	V376	V376-S393 VanDerWaalsContact CG1-CB 3.48Å
394	S	91.8	Very high	87.7	Confident	18 Å²	18	63.6 Å²	63.6	13%	0.126	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	145.4	179.2	-167.9	0	0	0	0	110.7	L377 N398 T400	L377-S394 WeakPolarHBondContact CA-O 3.44Å; L377-S394 WeakPolarHBondContact CB-O 3.28Å; L377-S394 PolarHBondContact N-O 3.26Å; L377-S394 PolarHBondContact O-N 3.17Å; S394-N398 PolarHBondContact OG-O 2.88Å; S394-T400 PolarHBondContact OG-N 2.94Å; S394-T400 PolarHBondContact OG-O 3.39Å; S394-T400 VanDerWaalsContact OG-O 3.1Å
395	E	91.8	Very high	88.3	Confident	101 Å²	101	60.6 Å²	60.6	47%	0.472	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	148.7	-179.6	-68.6	-173.7	177.9	0	0	112.1	S397 N398 P399	E395-S397 WeakPolarHBondContact CB-OG 3.03Å; E395-S397 PolarHBondContact O-N 3.06Å; E395-S397 VanDerWaalsContact O-N 3.12Å; E395-S397 PolarHBondContact OE2-OG 2.85Å; E395-N398 CarbonylContact O-C 3.59Å; E395-N398 PolarHBondContact O-N 3.38Å; E395-P399 WeakPolarHBondContact O-CA 3.24Å
396	A	90.4	Very high	89.4	Confident	14 Å²	14	62.3 Å²	62.3	12%	0.116	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.1	175.4	0	0	0	0	0	113.8	V371 P372 P373 K375 L377	V371-A396 HydrophobicContact CB-CB 4.26Å; V371-A396 HydrophobicContact CG1-CB 3.69Å; P372-A396 WeakPolarHBondContact O-CB 3.36Å; P373-A396 PolarHBondContact O-N 3.09Å; K375-A396 HydrophobicContact CB-CB 4.5Å; K375-A396 PolarHBondContact O-N 3.47Å; L377-A396 HydrophobicContact CD1-CB 3.78Å; L377-A396 HydrophobicContact CG-CB 4.1Å
397	S	90.1	Very high	90.1	Very high	73 Å²	73	60.3 Å²	60.3	51%	0.51	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-33.1	173	63.5	0	0	0	0	113.3	P373 E395	P373-S397 WeakPolarHBondContact O-CB 3.26Å; P373-S397 PolarHBondContact O-N 3.19Å; E395-S397 WeakPolarHBondContact CB-OG 3.03Å; E395-S397 PolarHBondContact O-N 3.06Å; E395-S397 VanDerWaalsContact O-N 3.12Å; E395-S397 PolarHBondContact OE2-OG 2.85Å
398	N	91.8	Very high	90.6	Very high	98 Å²	98	62 Å²	62	52%	0.524	35%	0.346	S	S	.	.	S	Bend	trans	-143.5	71.6	178.4	-176.4	44	0	0	0	110.7	S394 E395 T400	S394-N398 PolarHBondContact OG-O 2.88Å; E395-N398 CarbonylContact O-C 3.59Å; E395-N398 PolarHBondContact O-N 3.38Å; N398-T400 PolarHBondContact ND2-OG1 3.42Å; N398-T400 PolarHBondContact O-N 3.24Å
399	P	92	Very high	90.8	Very high	17 Å²	17	56 Å²	56	11%	0.11	32%	0.32	C	S	.	.			trans	-79.3	66.1	-169.6	35.6	-40.2	0	0	0	111.8	E364 A365 L368 L377 E395 W401	E364-P399 CarbonylContact C-O 3.15Å; E364-P399 VanDerWaalsContact CA-O 3.27Å; E364-P399 WeakPolarHBondContact CA-O 2.9Å; A365-P399 HydrophobicContact CB-CB 4.33Å; A365-P399 PolarHBondContact N-O 2.72Å; A365-P399 WeakPolarHBondContact O-CG 3.47Å; L368-P399 HydrophobicContact CD1-CB 3.85Å; L368-P399 HydrophobicContact CD1-CG 3.83Å; L377-P399 HydrophobicContact CD1-CB 4.13Å; E395-P399 WeakPolarHBondContact O-CA 3.24Å; P399-W401 HydrophobicContact CB-CH2 4.06Å; P399-W401 HydrophobicContact CB-CZ3 4.31Å; P399-W401 WeakPolarHBondContact O-CZ3 3.44Å
400	T	93.1	Very high	90.7	Very high	57 Å²	57	56.5 Å²	56.5	35%	0.35	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-114.5	143.9	-179.3	59.1	0	0	0	0	111.2	L363 E364 S394 N398	L363-T400 CarbonylContact O-C 3.34Å; L363-T400 VanDerWaalsContact O-CA 3.31Å; L363-T400 WeakPolarHBondContact O-CA 3.48Å; E364-T400 HydrophobicContact CB-CG2 4.11Å; S394-T400 PolarHBondContact OG-N 2.94Å; S394-T400 PolarHBondContact OG-O 3.39Å; S394-T400 VanDerWaalsContact OG-O 3.1Å; N398-T400 PolarHBondContact ND2-OG1 3.42Å; N398-T400 PolarHBondContact O-N 3.24Å
401	W	93.2	Very high	90.5	Very high	22 Å²	22	52.7 Å²	52.7	8%	0.083	30%	0.303	C	S	.	.			trans	-138.8	159.3	177.1	-59.6	-84.8	0	0	0	110.1	V362 L363 A365 L377 T391 G392 P399 L420	V362-W401 HydrophobicContact CG1-CD2 4.47Å; V362-W401 HydrophobicContact CG1-CE3 3.96Å; V362-W401 CarbonylContact O-C 3.56Å; V362-W401 VanDerWaalsContact O-O 3.1Å; L363-W401 CarbonylContact C-O 3.05Å; L363-W401 WeakPolarHBondContact CA-O 3.3Å; L363-W401 PolarHBondContact O-N 3.38Å; A365-W401 HydrophobicContact CB-CH2 4.37Å; A365-W401 HydrophobicContact CB-CZ3 3.98Å; L377-W401 HydrophobicContact CB-CH2 4.35Å; L377-W401 HydrophobicContact CB-CZ2 4.01Å; T391-W401 HydrophobicContact CG2-CG 4.45Å; T391-W401 PolarHBondContact OG1-NE1 2.92Å; G392-W401 PolarHBondContact O-NE1 3.46Å; P399-W401 HydrophobicContact CB-CH2 4.06Å; P399-W401 HydrophobicContact CB-CZ3 4.31Å; P399-W401 WeakPolarHBondContact O-CZ3 3.44Å; W401-L420 HydrophobicContact CH2-CD1 3.69Å; W401-L420 HydrophobicContact CZ2-CD1 4.27Å
402	D	86.7	Confident	90.3	Very high	140 Å²	140	52.3 Å²	52.3	75%	0.749	30%	0.3	S	S	*	.			trans	-125.2	15.4	171.1	64.6	-8.1	0	0	0	111.7	Q404	D402-Q404 PolarHBondContact O-N 3.24Å
403	T	90.4	Very high	90.3	Very high	36 Å²	36	51 Å²	51	22%	0.221	28%	0.283	C	S	.	.			trans	-74.8	120.3	-172.5	-46.5	0	0	0	0	111.2	V362 M381 T391	V362-T403 PolarHBondContact N-O 3.35Å; M381-T403 HydrophobicContact CE-CG2 4.46Å; T391-T403 HydrophobicContact CG2-CG2 4.45Å
404	Q	89.7	Confident	90.3	Very high	92 Å²	92	47.4 Å²	47.4	43%	0.43	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	133.5	169.9	177.2	172.4	-37.6	0	0	110.3	E359 V360 V361 D402 D406	E359-Q404 HydrophobicContact CB-CG 4.46Å; V360-Q404 CarbonylContact O-C 3.28Å; V360-Q404 WeakPolarHBondContact O-CA 3.34Å; V361-Q404 HydrophobicContact CG2-CB 4Å; V361-Q404 HydrophobicContact CG2-CG 4Å; D402-Q404 PolarHBondContact O-N 3.24Å; Q404-D406 PolarHBondContact NE2-OD1 2.67Å
405	G	90.5	Very high	90.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.9	167.1	0	0	0	0	0	111.4	E359 V360 M381 F407	E359-G405 WeakPolarHBondContact CA-O 3.4Å; V360-G405 PolarHBondContact N-O 3.26Å; V360-G405 PolarHBondContact O-N 3.16Å; M381-G405 VanDerWaalsContact SD-CA 3.59Å; G405-F407 WeakPolarHBondContact O-CD2 3.41Å; G405-F407 WeakPolarHBondContact O-CE2 3.23Å
406	D	91.5	Very high	90.2	Very high	103 Å²	103	42.4 Å²	42.4	55%	0.551	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	124	175.8	-61.8	-35	0	0	0	109.9	L358 Q404	L358-D406 WeakPolarHBondContact O-CA 3.28Å; Q404-D406 PolarHBondContact NE2-OD1 2.67Å
407	F	92.6	Very high	90.4	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.035	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	143.6	-177.3	-57.9	-84.6	0	0	0	110.1	N357 L358 V360 M381 V383 G387 L389 G405	N357-F407 CarbonylContact C-O 3.51Å; N357-F407 WeakPolarHBondContact CA-O 3.46Å; L358-F407 HydrophobicContact CB-CB 4.39Å; L358-F407 PolarHBondContact N-O 3.38Å; L358-F407 PolarHBondContact O-N 3.22Å; V360-F407 HydrophobicContact CB-CE2 4.14Å; V360-F407 HydrophobicContact CG2-CD2 4.02Å; V360-F407 HydrophobicContact CG2-CE2 4Å; M381-F407 HydrophobicContact CB-CZ 4.42Å; M381-F407 HydrophobicContact CG-CE2 4.23Å; M381-F407 HydrophobicContact CG-CZ 3.86Å; M381-F407 HydrophobicContact SD-CE2 3.88Å; M381-F407 HydrophobicContact SD-CZ 4.03Å; V383-F407 HydrophobicContact CB-CB 4.08Å; V383-F407 HydrophobicContact CB-CD1 4.06Å; V383-F407 HydrophobicContact CB-CD2 4.46Å; V383-F407 HydrophobicContact CB-CG 3.94Å; V383-F407 HydrophobicContact CG2-CB 3.79Å; V383-F407 HydrophobicContact CG2-CD1 3.84Å; V383-F407 HydrophobicContact CG2-CD2 3.43Å; V383-F407 VanDerWaalsContact CG2-CD2 3.43Å; V383-F407 HydrophobicContact CG2-CE1 4.27Å; V383-F407 HydrophobicContact CG2-CE2 3.88Å; V383-F407 HydrophobicContact CG2-CG 3.39Å; V383-F407 HydrophobicContact CG2-CZ 4.27Å; G387-F407 WeakPolarHBondContact O-CE1 3.26Å; L389-F407 HydrophobicContact CB-CZ 4.06Å; L389-F407 HydrophobicContact CD1-CE1 3.87Å; L389-F407 HydrophobicContact CD1-CE2 4.18Å; L389-F407 HydrophobicContact CD1-CZ 3.59Å; L389-F407 HydrophobicContact CG-CE1 3.93Å; L389-F407 HydrophobicContact CG-CZ 3.85Å; G405-F407 WeakPolarHBondContact O-CD2 3.41Å; G405-F407 WeakPolarHBondContact O-CE2 3.23Å
408	T	88.8	Confident	90.6	Very high	76 Å²	76	40.7 Å²	40.7	47%	0.466	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	138.1	165.7	-50.8	0	0	0	0	108.8	F356 N357 S386	F356-T408 WeakPolarHBondContact O-CA 3.34Å; N357-T408 PolarHBondContact OD1-OG1 3.47Å; S386-T408 WeakPolarHBondContact CB-O 3.48Å; S386-T408 PolarHBondContact OG-O 3.49Å
409	T	89.1	Confident	90.8	Very high	6 Å²	6	38.3 Å²	38.3	4%	0.037	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	154.6	175.5	-171.2	0	0	0	0	111.1	F356 L358 H411 P414	F356-T409 HydrophobicContact CB-CG2 4.1Å; F356-T409 PolarHBondContact N-O 3.24Å; F356-T409 PolarHBondContact O-N 3.15Å; L358-T409 HydrophobicContact CD1-CG2 3.28Å; T409-H411 PolarHBondContact OG1-N 3.06Å; T409-P414 HydrophobicContact CG2-CB 4.03Å; T409-P414 HydrophobicContact CG2-CG 4.34Å
410	Q	88.5	Confident	90.9	Very high	86 Å²	86	37.5 Å²	37.5	40%	0.402	19%	0.194	S	C	.	.	S	Bend	trans	-97.5	-0.7	171.3	-67.7	177.7	-15.4	0	0	112.7	V353 L354 H355 P412	V353-Q410 HydrophobicContact CG1-CB 4.29Å; V353-Q410 HydrophobicContact CG1-CG 4.08Å; L354-Q410 VanDerWaalsContact O-CA 3.27Å; L354-Q410 WeakPolarHBondContact O-CA 3.38Å; H355-Q410 PolarHBondContact NE2-NE2 2.84Å; Q410-P412 WeakPolarHBondContact O-CD 3.4Å
411	H	88.1	Confident	91	Very high	30 Å²	30	35.9 Å²	35.9	14%	0.139	18%	0.182	C	C	.	.			trans	-85.5	116.4	-179.6	-59.2	158	0	0	0	110.2	E384 T409 L413 P414 S522	E384-H411 PolarHBondContact O-ND1 3.43Å; E384-H411 VanDerWaalsContact O-ND1 3.07Å; T409-H411 PolarHBondContact OG1-N 3.06Å; H411-L413 PolarHBondContact O-N 2.87Å; H411-P414 HydrophobicContact CB-CB 4.31Å; H411-P414 VanDerWaalsContact O-CD 3.31Å; H411-P414 WeakPolarHBondContact O-CD 3.34Å; H411-S522 PolarHBondContact CD2-N 3.46Å
412	P	87.9	Confident	90.9	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-66.3	-23.9	176.3	-21.7	35.5	0	0	0	113.8	L354 F356 Q410 P414 Y517 H521	L354-P412 HydrophobicContact CD1-CG 4.24Å; F356-P412 VanDerWaalsContact CE2-CA 3.41Å; F356-P412 HydrophobicContact CE2-CB 3.83Å; F356-P412 HydrophobicContact CE2-CG 3.91Å; F356-P412 HydrophobicContact CZ-CB 3.83Å; F356-P412 HydrophobicContact CZ-CG 4.28Å; Q410-P412 WeakPolarHBondContact O-CD 3.4Å; P412-P414 VanDerWaalsContact C-CD 3.45Å; P412-P414 WeakPolarHBondContact O-CD 3.41Å; P412-Y517 HydrophobicContact CB-CD2 4.48Å; P412-Y517 HydrophobicContact CB-CG 4.29Å; P412-Y517 HydrophobicContact CG-CD1 3.58Å; P412-Y517 HydrophobicContact CG-CD2 4.07Å; P412-Y517 HydrophobicContact CG-CE1 3.67Å; P412-Y517 HydrophobicContact CG-CE2 4.16Å; P412-Y517 HydrophobicContact CG-CG 3.78Å; P412-H521 WeakPolarHBondContact CD-O 3.36Å
413	L	89.6	Confident	90.9	Very high	12 Å²	12	32.3 Å²	32.3	6%	0.063	16%	0.162	C	C	.	.	S	Bend	trans	-119.1	74.8	172.5	-68.1	175.2	0	0	0	109	H411 T443 F501 E519 R520	H411-L413 PolarHBondContact O-N 2.87Å; L413-T443 HydrophobicContact CD2-CG2 4.07Å; L413-F501 HydrophobicContact CD1-CB 3.67Å; L413-F501 HydrophobicContact CD1-CD1 3.92Å; L413-F501 HydrophobicContact CD1-CD2 4.49Å; L413-F501 HydrophobicContact CD1-CG 3.78Å; L413-F501 HydrophobicContact CD2-CD1 3.88Å; L413-F501 HydrophobicContact CD2-CD2 3.9Å; L413-F501 HydrophobicContact CD2-CE1 3.91Å; L413-F501 HydrophobicContact CD2-CE2 3.94Å; L413-F501 HydrophobicContact CD2-CG 3.86Å; L413-F501 HydrophobicContact CD2-CZ 3.95Å; L413-F501 HydrophobicContact CG-CB 4.45Å; L413-F501 HydrophobicContact CG-CD1 3.79Å; L413-F501 HydrophobicContact CG-CE1 4.12Å; L413-F501 HydrophobicContact CG-CG 4.02Å; L413-E519 HydrophobicContact CD1-CG 4.34Å; L413-R520 PolarHBondContact O-N 3.15Å
414	P	89.4	Confident	90.6	Very high	7 Å²	7	33.5 Å²	33.5	5%	0.045	17%	0.167	C	C	.	.			trans	-75.3	158.2	-179.9	31.7	-30.7	0	0	0	110.5	L358 V383 T409 H411 P412 P442	L358-P414 HydrophobicContact CD1-CG 4.49Å; L358-P414 HydrophobicContact CD2-CB 4.5Å; L358-P414 HydrophobicContact CD2-CG 3.77Å; V383-P414 HydrophobicContact CG1-CB 4.25Å; T409-P414 HydrophobicContact CG2-CB 4.03Å; T409-P414 HydrophobicContact CG2-CG 4.34Å; H411-P414 HydrophobicContact CB-CB 4.31Å; H411-P414 VanDerWaalsContact O-CD 3.31Å; H411-P414 WeakPolarHBondContact O-CD 3.34Å; P412-P414 VanDerWaalsContact C-CD 3.45Å; P412-P414 WeakPolarHBondContact O-CD 3.41Å; P414-P442 HydrophobicContact CG-CG 4.15Å
415	M	90	Very high	89.7	Confident	13 Å²	13	34.8 Å²	34.8	6%	0.064	19%	0.186	C	C	.	.			trans	-112.8	125	171.9	-169.6	175.3	-65	0	0	109.2	E384 V439 R441 R520	E384-M415 HydrophobicContact CB-CB 4.25Å; E384-M415 PolarHBondContact N-O 2.94Å; E384-M415 VanDerWaalsContact OE2-CB 3.23Å; E384-M415 WeakPolarHBondContact OE2-CB 3.45Å; M415-V439 HydrophobicContact CE-CG1 4.37Å; M415-V439 HydrophobicContact CG-CG1 3.37Å; M415-V439 HydrophobicContact SD-CG1 3.35Å; M415-V439 WeakPolarHBondContact SD-CG1 3.3Å; M415-R441 HydrophobicContact CE-CG 4.46Å; M415-R520 HydrophobicContact CE-CG 4.49Å; M415-R520 VanDerWaalsContact CE-NH2 3.27Å; M415-R520 PolarHBondContact SD-NH2 3.41Å
416	I	91.8	Very high	88.9	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	129.1	176.1	-52.5	-174.6	0	0	0	107.8	L358 V360 E382 V383 V418 V439 V440 P442 I472	L358-I416 HydrophobicContact CD2-CD1 3.92Å; V360-I416 HydrophobicContact CG1-CG2 4.34Å; V360-I416 HydrophobicContact CG2-CD1 3.74Å; V360-I416 HydrophobicContact CG2-CG2 4.21Å; E382-I416 WeakPolarHBondContact O-CA 3.45Å; V383-I416 HydrophobicContact CG2-CG1 4.13Å; V383-I416 HydrophobicContact CG2-CG2 4.48Å; I416-V418 HydrophobicContact CG2-CG2 4.1Å; I416-V439 CarbonylContact O-C 3.49Å; I416-V439 WeakPolarHBondContact O-CA 3.24Å; I416-V440 PolarHBondContact N-O 2.99Å; I416-V440 PolarHBondContact O-N 3.4Å; I416-P442 HydrophobicContact CD1-CG 3.66Å; I416-P442 HydrophobicContact CG1-CG 3.97Å; I416-I472 HydrophobicContact CD1-CD1 4.12Å; I416-I472 HydrophobicContact CD1-CG1 4.21Å; I416-I472 HydrophobicContact CD1-CG2 3.63Å
417	K	94.1	Very high	87.8	Confident	51 Å²	51	39.2 Å²	39.2	22%	0.222	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	120.1	-179.8	178.4	171	147.5	-127.9	0	108.9	E382 K437 V438 V439	E382-K417 HydrophobicContact CB-CB 4.48Å; E382-K417 PolarHBondContact N-O 3.39Å; E382-K417 PolarHBondContact O-N 2.89Å; E382-K417 IonicContact OE2-NZ 3.9Å; E382-K417 PolarHBondContact OE2-NZ 2.87Å; K417-K437 HydrophobicContact CD-CD 4.45Å; K417-K437 VanDerWaalsContact CD-CE 3.45Å; K417-K437 HydrophobicContact CG-CD 4.41Å; K417-K437 HydrophobicContact CG-CG 4.34Å; K417-V438 WeakPolarHBondContact CA-O 3.36Å; K417-V439 HydrophobicContact CG-CG2 4.34Å
418	V	94.7	Very high	86.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.7	179.2	178.8	0	0	0	0	109	V362 C379 T380 M381 I416 K437 V438 I468 M470	V362-V418 HydrophobicContact CG2-CG1 4.27Å; C379-V418 HydrophobicContact CB-CG1 4.35Å; T380-V418 CarbonylContact O-C 3.58Å; T380-V418 WeakPolarHBondContact O-CA 3.22Å; M381-V418 HydrophobicContact CB-CG2 4.03Å; I416-V418 HydrophobicContact CG2-CG2 4.1Å; V418-K437 CarbonylContact O-C 3.55Å; V418-K437 WeakPolarHBondContact O-CA 3.27Å; V418-V438 HydrophobicContact CB-CG1 3.71Å; V418-V438 HydrophobicContact CG1-CG1 4.45Å; V418-V438 PolarHBondContact N-O 3.28Å; V418-V438 PolarHBondContact O-N 3.21Å; V418-I468 HydrophobicContact CG1-CD1 3.92Å; V418-M470 HydrophobicContact CB-CE 4.29Å; V418-M470 HydrophobicContact CB-SD 3.86Å; V418-M470 HydrophobicContact CG1-CE 4.38Å; V418-M470 HydrophobicContact CG1-SD 3.79Å; V418-M470 HydrophobicContact CG2-CE 3.4Å; V418-M470 HydrophobicContact CG2-SD 3.62Å
419	K	95.1	Very high	85.5	Confident	47 Å²	47	44.8 Å²	44.8	20%	0.204	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.9	-179.2	-66.5	-174.8	170.5	-156.6	0	109.7	C379 T380 F421 E434 G436 K437	C379-K419 CarbonylContact C-O 3.54Å; C379-K419 WeakPolarHBondContact CA-O 3.1Å; T380-K419 PolarHBondContact N-O 3.17Å; T380-K419 PolarHBondContact O-N 3.5Å; K419-F421 HydrophobicContact CB-CD2 4.12Å; K419-F421 HydrophobicContact CB-CE2 3.39Å; K419-F421 HydrophobicContact CB-CZ 3.92Å; K419-F421 HydrophobicContact CD-CE2 3.89Å; K419-F421 HydrophobicContact CD-CZ 3.62Å; K419-F421 HydrophobicContact CG-CE2 4.34Å; K419-F421 HydrophobicContact CG-CZ 4.48Å; K419-E434 WeakPolarHBondContact CD-OE2 3.08Å; K419-E434 WeakPolarHBondContact CE-OE2 3.35Å; K419-E434 IonicContact NZ-OE1 3.29Å; K419-E434 IonicContact NZ-OE2 2.85Å; K419-E434 PolarHBondContact NZ-OE2 3.31Å; K419-G436 WeakPolarHBondContact CA-O 3.13Å; K419-K437 HydrophobicContact CG-CB 4.08Å; K419-K437 HydrophobicContact CG-CD 4.4Å; K419-K437 HydrophobicContact CG-CG 3.98Å
420	L	94.9	Very high	84.7	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	129.4	174.2	176.8	67.3	0	0	0	109	A365 L368 L377 C379 W401 L435 G436 M455 L466	A365-L420 HydrophobicContact CB-CD2 4.17Å; L368-L420 HydrophobicContact CD2-CD2 3.94Å; L377-L420 HydrophobicContact CB-CD1 4.29Å; C379-L420 VanDerWaalsContact SG-CD1 3.53Å; W401-L420 HydrophobicContact CH2-CD1 3.69Å; W401-L420 HydrophobicContact CZ2-CD1 4.27Å; L420-L435 HydrophobicContact CD2-CB 4.28Å; L420-L435 HydrophobicContact CD2-CD1 4.21Å; L420-L435 HydrophobicContact CG-CB 4.25Å; L420-L435 HydrophobicContact CG-CD1 4.23Å; L420-L435 PolarHBondContact O-N 3.12Å; L420-G436 PolarHBondContact N-O 3.39Å; L420-G436 PolarHBondContact O-N 2.64Å; L420-M455 HydrophobicContact CB-CE 3.73Å; L420-M455 HydrophobicContact CB-SD 4.12Å; L420-M455 HydrophobicContact CD2-SD 4.26Å; L420-L466 HydrophobicContact CD2-CD2 4.38Å
421	F	93.8	Very high	84.3	Confident	24 Å²	24	58 Å²	58	11%	0.105	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	150.8	-179.3	-68.2	-88.6	0	0	0	111.1	L377 Y378 T380 K419 D432 K433 E434	L377-F421 VanDerWaalsContact CA-O 3.26Å; L377-F421 WeakPolarHBondContact CA-O 3.41Å; Y378-F421 HydrophobicContact CD1-CB 4.29Å; Y378-F421 HydrophobicContact CD2-CB 4.27Å; Y378-F421 HydrophobicContact CD2-CD2 4.36Å; Y378-F421 HydrophobicContact CE1-CB 3.83Å; Y378-F421 HydrophobicContact CE2-CB 3.8Å; Y378-F421 AromaticContact CE2-CD2 3.73Å; Y378-F421 HydrophobicContact CE2-CD2 3.73Å; Y378-F421 AromaticContact CE2-CG 3.99Å; Y378-F421 HydrophobicContact CE2-CG 3.99Å; Y378-F421 AromaticContact CZ-CG 3.98Å; Y378-F421 PolarHBondContact N-O 3.13Å; Y378-F421 VanDerWaalsContact N-O 3.1Å; Y378-F421 PolarHBondContact O-N 3.05Å; T380-F421 HydrophobicContact CG2-CD2 4.25Å; T380-F421 HydrophobicContact CG2-CE2 4.05Å; K419-F421 HydrophobicContact CB-CD2 4.12Å; K419-F421 HydrophobicContact CB-CE2 3.39Å; K419-F421 HydrophobicContact CB-CZ 3.92Å; K419-F421 HydrophobicContact CD-CE2 3.89Å; K419-F421 HydrophobicContact CD-CZ 3.62Å; K419-F421 HydrophobicContact CG-CE2 4.34Å; K419-F421 HydrophobicContact CG-CZ 4.48Å; F421-D432 HydrophobicContact CB-CB 4.29Å; F421-D432 HydrophobicContact CD1-CB 4.22Å; F421-K433 CarbonylContact C-O 3.49Å; F421-K433 WeakPolarHBondContact CA-O 3.43Å; F421-E434 HydrophobicContact CD1-CB 3.96Å; F421-E434 HydrophobicContact CE1-CB 3.65Å; F421-E434 HydrophobicContact CE1-CG 4.12Å; F421-E434 HydrophobicContact CZ-CB 4.41Å; F421-E434 HydrophobicContact CZ-CG 4.41Å
422	A	91.7	Very high	84.3	Confident	3 Å²	3	58.9 Å²	58.9	3%	0.025	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	123.3	164.2	0	0	0	0	0	109.5	K375 V376 L377 N424 K433 L435	K375-A422 HydrophobicContact CG-CB 3.99Å; V376-A422 WeakPolarHBondContact O-CA 3.26Å; L377-A422 HydrophobicContact CD2-CB 3.7Å; A422-N424 PolarHBondContact O-N 3.32Å; A422-K433 PolarHBondContact N-O 3.49Å; A422-K433 PolarHBondContact O-N 3.03Å; A422-L435 HydrophobicContact CB-CD1 4.02Å; A422-L435 HydrophobicContact CB-CD2 4.09Å; A422-L435 HydrophobicContact CB-CG 4.08Å
423	E	87.8	Confident	84.4	Confident	84 Å²	84	64 Å²	64	39%	0.393	35%	0.345	S	S	.	.			trans	-68	127.7	-175.7	-168.1	177.4	173.9	0	0	110.9	K375 V376 Y378 D432	K375-E423 WeakPolarHBondContact CE-O 2.99Å; K375-E423 PolarHBondContact NZ-O 3.19Å; V376-E423 HydrophobicContact CB-CB 4.16Å; V376-E423 HydrophobicContact CG1-CB 4.4Å; V376-E423 WeakPolarHBondContact CG1-OE2 3.25Å; V376-E423 PolarHBondContact O-N 2.92Å; Y378-E423 HydrophobicContact CE1-CB 4.4Å; E423-D432 WeakPolarHBondContact CA-OD1 3.36Å
424	N	83.3	Confident	84.5	Confident	60 Å²	60	65.9 Å²	65.9	32%	0.321	35%	0.354	S	S	.	.			trans	-90.8	111.6	177.9	-82.1	-26.6	0	0	0	110.6	A422 G426 A429 E431 D432	A422-N424 PolarHBondContact O-N 3.32Å; N424-G426 PolarHBondContact O-N 3.08Å; N424-G426 VanDerWaalsContact O-N 3.17Å; N424-A429 HydrophobicContact CB-CB 3.49Å; N424-A429 VanDerWaalsContact CB-CB 3.49Å; N424-E431 PolarHBondContact ND2-O 3.33Å; N424-D432 PolarHBondContact N-OD1 2.91Å
425	S	71.7	Confident	84.7	Confident	120 Å²	120	66 Å²	66	84%	0.839	35%	0.354	S	S	*	.			trans	-76.4	5.5	178.2	58.1	0	0	0	0	114.5
426	G	72.1	Confident	84.9	Confident	43 Å²	43	65.4 Å²	65.4	44%	0.443	35%	0.351	S	S	.	.			trans	-83.8	126.2	-178.5	0	0	0	0	0	110.9	N424 L428 A429	N424-G426 PolarHBondContact O-N 3.08Å; N424-G426 VanDerWaalsContact O-N 3.17Å; G426-L428 PolarHBondContact O-N 2.97Å; G426-A429 WeakPolarHBondContact O-CB 3.45Å; G426-A429 PolarHBondContact O-N 3.49Å
427	V	68.7	Low	85	Confident	153 Å²	153	68.5 Å²	68.5	93%	0.927	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-22.2	178.6	-178.1	0	0	0	0	113.4
428	L	68.9	Low	85	Confident	153 Å²	153	66.5 Å²	66.5	80%	0.801	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	4.6	-179.5	-65.1	169.5	0	0	0	114.5	G426 F430	G426-L428 PolarHBondContact O-N 2.97Å; L428-F430 PolarHBondContact O-N 3.42Å
429	A	64.7	Low	85	Confident	48 Å²	48	68.8 Å²	68.8	40%	0.397	37%	0.37	S	S	.	.			trans	-82.3	108.8	179	0	0	0	0	0	110.4	N424 G426 E431	N424-A429 HydrophobicContact CB-CB 3.49Å; N424-A429 VanDerWaalsContact CB-CB 3.49Å; G426-A429 WeakPolarHBondContact O-CB 3.45Å; G426-A429 PolarHBondContact O-N 3.49Å; A429-E431 VanDerWaalsContact C-N 3.33Å
430	F	72.1	Confident	84.8	Confident	203 Å²	203	67.4 Å²	67.4	89%	0.89	37%	0.366	S	S	*	.	S	Bend	trans	-73.2	-23.3	178.8	-68.7	-81.3	0	0	0	113.6	L428	L428-F430 PolarHBondContact O-N 3.42Å
431	E	80.7	Confident	84.5	Confident	166 Å²	166	73.7 Å²	73.7	78%	0.776	39%	0.389	S	S	*	.	S	Bend	trans	-142.1	144.5	-179.9	-65.5	-171.6	167.8	0	0	111.5	N424 A429	N424-E431 PolarHBondContact ND2-O 3.33Å; A429-E431 VanDerWaalsContact C-N 3.33Å
432	D	87.7	Confident	84.2	Confident	48 Å²	48	72.7 Å²	72.7	26%	0.257	39%	0.385	S	S	.	.			trans	-73.3	151.2	170.7	-69.5	-37.3	0	0	0	111.3	Y378 F421 E423 N424 E434	Y378-D432 HydrophobicContact CE1-CB 4.3Å; Y378-D432 VanDerWaalsContact CE1-OD2 3.23Å; Y378-D432 WeakPolarHBondContact CE1-OD2 3.11Å; Y378-D432 VanDerWaalsContact CZ-OD2 3.29Å; Y378-D432 WeakPolarHBondContact OH-CB 2.91Å; Y378-D432 PolarHBondContact OH-OD2 2.87Å; F421-D432 HydrophobicContact CB-CB 4.29Å; F421-D432 HydrophobicContact CD1-CB 4.22Å; E423-D432 WeakPolarHBondContact CA-OD1 3.36Å; N424-D432 PolarHBondContact N-OD1 2.91Å; D432-E434 PolarHBondContact O-N 2.78Å
433	K	89.4	Confident	83.9	Confident	107 Å²	107	73.9 Å²	73.9	47%	0.465	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	111.5	-174.2	-172.2	179.8	-179.1	-178.4	0	110.4	F421 A422 L435	F421-K433 CarbonylContact C-O 3.49Å; F421-K433 WeakPolarHBondContact CA-O 3.43Å; A422-K433 PolarHBondContact N-O 3.49Å; A422-K433 PolarHBondContact O-N 3.03Å; K433-L435 HydrophobicContact CD-CD2 4.45Å; K433-L435 HydrophobicContact CG-CD2 4.45Å; K433-L435 PolarHBondContact O-N 3.23Å
434	E	92.1	Very high	83.5	Confident	53 Å²	53	70.5 Å²	70.5	25%	0.248	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	117.6	171.2	-172.8	173.2	148.7	0	0	109.9	K419 F421 D432 K437	K419-E434 WeakPolarHBondContact CD-OE2 3.08Å; K419-E434 WeakPolarHBondContact CE-OE2 3.35Å; K419-E434 IonicContact NZ-OE1 3.29Å; K419-E434 IonicContact NZ-OE2 2.85Å; K419-E434 PolarHBondContact NZ-OE2 3.31Å; F421-E434 HydrophobicContact CD1-CB 3.96Å; F421-E434 HydrophobicContact CE1-CB 3.65Å; F421-E434 HydrophobicContact CE1-CG 4.12Å; F421-E434 HydrophobicContact CZ-CB 4.41Å; F421-E434 HydrophobicContact CZ-CG 4.41Å; D432-E434 PolarHBondContact O-N 2.78Å; E434-K437 WeakPolarHBondContact OE1-CB 3.16Å
435	L	93	Very high	83.3	Confident	9 Å²	9	71.5 Å²	71.5	5%	0.047	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-34.8	178.2	-61.4	-175.6	0	0	0	111.8	L368 V371 L377 L420 A422 K433 P458 L466	L368-L435 HydrophobicContact CD2-CD1 3.68Å; V371-L435 HydrophobicContact CG2-CD1 3.88Å; V371-L435 HydrophobicContact CG2-CD2 4.24Å; L377-L435 HydrophobicContact CD2-CD1 3.68Å; L420-L435 HydrophobicContact CD2-CB 4.28Å; L420-L435 HydrophobicContact CD2-CD1 4.21Å; L420-L435 HydrophobicContact CG-CB 4.25Å; L420-L435 HydrophobicContact CG-CD1 4.23Å; L420-L435 PolarHBondContact O-N 3.12Å; A422-L435 HydrophobicContact CB-CD1 4.02Å; A422-L435 HydrophobicContact CB-CD2 4.09Å; A422-L435 HydrophobicContact CB-CG 4.08Å; K433-L435 HydrophobicContact CD-CD2 4.45Å; K433-L435 HydrophobicContact CG-CD2 4.45Å; K433-L435 PolarHBondContact O-N 3.23Å; L435-P458 WeakPolarHBondContact O-CD 3.36Å; L435-L466 HydrophobicContact CB-CD1 4.49Å; L435-L466 WeakPolarHBondContact O-CD1 2.96Å
436	G	93.9	Very high	83.7	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.4	161.1	179.9	0	0	0	0	0	112.6	K419 L420 M455 T456	K419-G436 WeakPolarHBondContact CA-O 3.13Å; L420-G436 PolarHBondContact N-O 3.39Å; L420-G436 PolarHBondContact O-N 2.64Å; G436-M455 VanDerWaalsContact O-CE 3.29Å; G436-M455 WeakPolarHBondContact O-CE 3.31Å; G436-T456 CarbonylContact C-O 3.54Å; G436-T456 WeakPolarHBondContact CA-O 3.45Å
437	K	94.8	Very high	83.9	Confident	67 Å²	67	68.6 Å²	68.6	29%	0.291	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	136	-179.7	171.6	-174.9	169.7	-171.3	0	110.6	K417 V418 K419 E434 V439 T456	K417-K437 HydrophobicContact CD-CD 4.45Å; K417-K437 VanDerWaalsContact CD-CE 3.45Å; K417-K437 HydrophobicContact CG-CD 4.41Å; K417-K437 HydrophobicContact CG-CG 4.34Å; V418-K437 CarbonylContact O-C 3.55Å; V418-K437 WeakPolarHBondContact O-CA 3.27Å; K419-K437 HydrophobicContact CG-CB 4.08Å; K419-K437 HydrophobicContact CG-CD 4.4Å; K419-K437 HydrophobicContact CG-CG 3.98Å; E434-K437 WeakPolarHBondContact OE1-CB 3.16Å; K437-V439 HydrophobicContact CD-CG2 4.47Å; K437-V439 VanDerWaalsContact CE-CG2 3.4Å; K437-V439 HydrophobicContact CG-CG2 4.38Å; K437-T456 PolarHBondContact N-O 3.15Å; K437-T456 WeakPolarHBondContact O-CB 3.21Å; K437-T456 PolarHBondContact O-N 3.17Å
438	V	94.9	Very high	84.4	Confident	9 Å²	9	68.4 Å²	68.4	6%	0.055	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	144.1	166.9	63.8	0	0	0	0	109.5	K417 V418 V440 Y453 I468 M470	K417-V438 WeakPolarHBondContact CA-O 3.36Å; V418-V438 HydrophobicContact CB-CG1 3.71Å; V418-V438 HydrophobicContact CG1-CG1 4.45Å; V418-V438 PolarHBondContact N-O 3.28Å; V418-V438 PolarHBondContact O-N 3.21Å; V438-V440 HydrophobicContact CG2-CG2 3.9Å; V438-Y453 HydrophobicContact CG2-CG 4.27Å; V438-I468 HydrophobicContact CB-CG2 4.46Å; V438-I468 HydrophobicContact CG1-CG2 3.85Å; V438-M470 HydrophobicContact CG1-SD 4.44Å
439	V	93.2	Very high	85.2	Confident	47 Å²	47	63.9 Å²	63.9	29%	0.285	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	114.6	172	179.5	0	0	0	0	107.8	M415 I416 K417 K437	M415-V439 HydrophobicContact CE-CG1 4.37Å; M415-V439 HydrophobicContact CG-CG1 3.37Å; M415-V439 HydrophobicContact SD-CG1 3.35Å; M415-V439 WeakPolarHBondContact SD-CG1 3.3Å; I416-V439 CarbonylContact O-C 3.49Å; I416-V439 WeakPolarHBondContact O-CA 3.24Å; K417-V439 HydrophobicContact CG-CG2 4.34Å; K437-V439 HydrophobicContact CD-CG2 4.47Å; K437-V439 VanDerWaalsContact CE-CG2 3.4Å; K437-V439 HydrophobicContact CG-CG2 4.38Å
440	V	91.1	Very high	86.4	Confident	19 Å²	19	64 Å²	64	12%	0.115	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	139.2	178.8	-170.8	0	0	0	0	109	I416 V438 P442 Y453 I472	I416-V440 PolarHBondContact N-O 2.99Å; I416-V440 PolarHBondContact O-N 3.4Å; V438-V440 HydrophobicContact CG2-CG2 3.9Å; V440-P442 WeakPolarHBondContact O-CD 3.4Å; V440-Y453 HydrophobicContact CG1-CE1 4.14Å; V440-Y453 HydrophobicContact CG2-CD1 3.94Å; V440-Y453 HydrophobicContact CG2-CE1 3.98Å; V440-Y453 HydrophobicContact CG2-CG 4.3Å; V440-I472 HydrophobicContact CB-CD1 3.83Å; V440-I472 HydrophobicContact CG1-CD1 3.57Å; V440-I472 HydrophobicContact CG2-CD1 4.05Å
441	R	89.1	Confident	87.4	Confident	132 Å²	132	58.1 Å²	58.1	50%	0.498	29%	0.292	S	S	.	.			trans	-115.3	78.6	176.4	-65.7	176.4	-176.7	73.8	-1.4	108.1	M415 E519	M415-R441 HydrophobicContact CE-CG 4.46Å; R441-E519 IonicContact NE-OE1 2.81Å; R441-E519 IonicContact NE-OE2 2.86Å; R441-E519 PolarHBondContact NE-OE2 2.83Å; R441-E519 VanDerWaalsContact NE-OE2 3.12Å
442	P	87.5	Confident	88	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.019	27%	0.272	C	S	.	.			trans	-67.8	149.4	179.5	32.4	-37.5	0	0	0	110.1	L358 P414 I416 V440 I472 T474	L358-P442 HydrophobicContact CD2-CG 4.16Å; P414-P442 HydrophobicContact CG-CG 4.15Å; I416-P442 HydrophobicContact CD1-CG 3.66Å; I416-P442 HydrophobicContact CG1-CG 3.97Å; V440-P442 WeakPolarHBondContact O-CD 3.4Å; P442-I472 HydrophobicContact CB-CG2 3.89Å; P442-I472 HydrophobicContact CG-CG2 4.15Å; P442-T474 HydrophobicContact CB-CG2 4.12Å; P442-T474 HydrophobicContact CG-CG2 4.42Å
443	T	84.9	Confident	88.3	Confident	28 Å²	28	54.5 Å²	54.5	17%	0.172	27%	0.268	C	S	.	.			trans	-112	160.3	166.6	65.9	0	0	0	0	108.2	L413 N445 S446 T474 F501	L413-T443 HydrophobicContact CD2-CG2 4.07Å; T443-N445 PolarHBondContact O-N 2.85Å; T443-S446 PolarHBondContact N-OG 3.23Å; T443-S446 VanDerWaalsContact O-CB 3.24Å; T443-S446 WeakPolarHBondContact O-CB 3.2Å; T443-S446 PolarHBondContact O-N 3.28Å; T443-S446 PolarHBondContact O-OG 3.27Å; T443-S446 PolarHBondContact OG1-N 2.9Å; T443-S446 PolarHBondContact OG1-OG 3.45Å; T443-S446 VanDerWaalsContact OG1-OG 3.14Å; T443-T474 PolarHBondContact O-OG1 3.21Å; T443-F501 HydrophobicContact CG2-CE2 4.22Å
444	P	79.7	Confident	88.5	Confident	12 Å²	12	55.9 Å²	55.9	8%	0.078	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-17.4	174.9	-25.7	35.3	0	0	0	114.6	F356 T474 L480	F356-P444 HydrophobicContact CD1-CG 4.33Å; F356-P444 HydrophobicContact CE1-CB 4.45Å; F356-P444 HydrophobicContact CE1-CG 3.67Å; F356-P444 HydrophobicContact CZ-CG 4.42Å; P444-T474 WeakPolarHBondContact CA-OG1 3.23Å; P444-L480 HydrophobicContact CG-CD2 4.22Å
445	N	80	Confident	88.6	Confident	81 Å²	81	53.5 Å²	53.5	43%	0.433	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	3.9	178.2	-58	-18.6	0	0	0	113.1	T443 C483	T443-N445 PolarHBondContact O-N 2.85Å; N445-C483 PolarHBondContact ND2-O 3.04Å
446	S	78.2	Confident	88.6	Confident	45 Å²	45	58.3 Å²	58.3	32%	0.315	29%	0.292	S	S	.	.	S	Bend	trans	-65.7	153.7	-180	-71.4	0	0	0	0	112.3	T443 R448	T443-S446 PolarHBondContact N-OG 3.23Å; T443-S446 VanDerWaalsContact O-CB 3.24Å; T443-S446 WeakPolarHBondContact O-CB 3.2Å; T443-S446 PolarHBondContact O-N 3.28Å; T443-S446 PolarHBondContact O-OG 3.27Å; T443-S446 PolarHBondContact OG1-N 2.9Å; T443-S446 PolarHBondContact OG1-OG 3.45Å; T443-S446 VanDerWaalsContact OG1-OG 3.14Å; S446-R448 PolarHBondContact O-N 3.19Å
447	S	77.9	Confident	88.5	Confident	58 Å²	58	59.1 Å²	59.1	41%	0.406	30%	0.297	S	S	.	.			trans	-59.1	137.6	178.4	-173	0	0	0	0	111.4	S449 E451	S447-S449 PolarHBondContact OG-N 2.89Å; S447-S449 PolarHBondContact OG-OG 2.86Å; S447-E451 WeakPolarHBondContact CB-OE1 3.3Å
448	R	79.2	Confident	88.1	Confident	148 Å²	148	58.3 Å²	58.3	56%	0.558	30%	0.299	S	S	*	.			trans	-88.7	-6.3	175.8	-61.1	-179	-177	-163.7	-1.7	112.6	S446 R473	S446-R448 PolarHBondContact O-N 3.19Å; R448-R473 HydrophobicContact CB-CG 4.26Å
449	S	85.6	Confident	87.6	Confident	58 Å²	58	68 Å²	68	41%	0.406	34%	0.341	S	S	.	.	S	Bend	trans	-79.3	148.7	-179.3	61.8	0	0	0	0	111.4	S447 E451	S447-S449 PolarHBondContact OG-N 2.89Å; S447-S449 PolarHBondContact OG-OG 2.86Å; S449-E451 PolarHBondContact O-N 3.49Å
450	P	89.9	Confident	87.1	Confident	52 Å²	52	69.6 Å²	69.6	34%	0.338	37%	0.366	S	S	.	.			trans	-59.8	127.8	171.9	-21	30.4	0	0	0	113	L363 R469 M470 A471	L363-P450 HydrophobicContact CD1-CB 3.52Å; L363-P450 HydrophobicContact CD1-CG 3.84Å; P450-R469 HydrophobicContact CB-CG 4.41Å; P450-M470 CarbonylContact C-O 3.39Å; P450-M470 WeakPolarHBondContact CA-O 3.33Å; P450-A471 HydrophobicContact CB-CB 4.31Å; P450-A471 HydrophobicContact CG-CB 4.07Å
451	E	91.8	Very high	86.7	Confident	79 Å²	79	70.1 Å²	70.1	37%	0.369	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	155	-179.5	-72.8	177.3	178.2	0	0	111.6	S447 S449 Y453 R469 M470	S447-E451 WeakPolarHBondContact CB-OE1 3.3Å; S449-E451 PolarHBondContact O-N 3.49Å; E451-Y453 HydrophobicContact CB-CE2 3.94Å; E451-Y453 WeakPolarHBondContact O-CD2 3.41Å; E451-Y453 PolarHBondContact OE2-OH 2.7Å; E451-R469 VanDerWaalsContact O-CA 3.29Å; E451-R469 WeakPolarHBondContact O-CA 3.48Å; E451-M470 PolarHBondContact N-O 3.49Å; E451-M470 PolarHBondContact O-N 3.42Å
452	W	93.9	Very high	86.3	Confident	93 Å²	93	67.6 Å²	67.6	35%	0.352	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	122.5	174.3	-78.2	103.1	0	0	0	111	E364 Q366 R467 R469	E364-W452 HydrophobicContact CB-CH2 4.42Å; E364-W452 HydrophobicContact CG-CH2 3.53Å; E364-W452 HydrophobicContact CG-CZ2 3.89Å; E364-W452 HydrophobicContact CG-CZ3 4.38Å; E364-W452 VanDerWaalsContact OE1-CZ2 3.23Å; E364-W452 WeakPolarHBondContact OE1-CZ2 3.35Å; Q366-W452 HydrophobicContact CB-CH2 4.12Å; Q366-W452 HydrophobicContact CB-CZ3 4.07Å; Q366-W452 HydrophobicContact CG-CH2 3.49Å; Q366-W452 VanDerWaalsContact CG-CH2 3.49Å; Q366-W452 HydrophobicContact CG-CZ2 4.3Å; Q366-W452 HydrophobicContact CG-CZ3 3.97Å; W452-R467 HydrophobicContact CE3-CB 3.84Å; W452-R467 HydrophobicContact CZ3-CB 4.24Å; W452-R469 HydrophobicContact CD2-CB 3.78Å; W452-R469 HydrophobicContact CD2-CG 4.07Å; W452-R469 HydrophobicContact CE3-CB 3.71Å; W452-R469 HydrophobicContact CE3-CG 4.49Å; W452-R469 HydrophobicContact CG-CG 4.38Å; W452-R469 HydrophobicContact CH2-CB 3.83Å; W452-R469 HydrophobicContact CZ2-CB 3.91Å; W452-R469 HydrophobicContact CZ2-CG 4.31Å; W452-R469 HydrophobicContact CZ3-CB 3.74Å
453	Y	93.9	Very high	86.3	Confident	45 Å²	45	68.3 Å²	68.3	18%	0.176	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133	176.3	-59.1	-83.9	0	0	0	111.1	V438 V440 E451 R467 I468 M470	V438-Y453 HydrophobicContact CG2-CG 4.27Å; V440-Y453 HydrophobicContact CG1-CE1 4.14Å; V440-Y453 HydrophobicContact CG2-CD1 3.94Å; V440-Y453 HydrophobicContact CG2-CE1 3.98Å; V440-Y453 HydrophobicContact CG2-CG 4.3Å; E451-Y453 HydrophobicContact CB-CE2 3.94Å; E451-Y453 WeakPolarHBondContact O-CD2 3.41Å; E451-Y453 PolarHBondContact OE2-OH 2.7Å; Y453-R467 CarbonylContact O-C 3.59Å; Y453-R467 VanDerWaalsContact O-CA 3.23Å; Y453-R467 WeakPolarHBondContact O-CA 3.3Å; Y453-I468 PolarHBondContact N-O 3.3Å; Y453-I468 PolarHBondContact O-N 2.68Å; Y453-M470 HydrophobicContact CD2-CB 4.24Å; Y453-M470 HydrophobicContact CE2-CB 4.1Å
454	K	93.7	Very high	86.4	Confident	135 Å²	135	71.8 Å²	71.8	59%	0.587	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	129.7	170.4	-173.9	177.3	179.3	178	0	109.5
455	M	94.4	Very high	86.8	Confident	4 Å²	4	76 Å²	76	2%	0.02	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-88.8	143.7	176.7	-55.2	-168.6	86.8	0	0	110.6	L420 G436 L466 I468	L420-M455 HydrophobicContact CB-CE 3.73Å; L420-M455 HydrophobicContact CB-SD 4.12Å; L420-M455 HydrophobicContact CD2-SD 4.26Å; G436-M455 VanDerWaalsContact O-CE 3.29Å; G436-M455 WeakPolarHBondContact O-CE 3.31Å; M455-L466 HydrophobicContact CB-CB 4.06Å; M455-L466 HydrophobicContact CG-CB 4.49Å; M455-L466 PolarHBondContact N-O 3.41Å; M455-I468 HydrophobicContact CE-CB 4.45Å; M455-I468 HydrophobicContact CE-CD1 4.33Å; M455-I468 HydrophobicContact CE-CG2 4.22Å; M455-I468 HydrophobicContact CG-CB 4.14Å; M455-I468 HydrophobicContact CG-CG2 3.83Å; M455-I468 HydrophobicContact SD-CB 3.87Å; M455-I468 HydrophobicContact SD-CG2 4.04Å
456	T	93.2	Very high	87.4	Confident	109 Å²	109	72.3 Å²	72.3	67%	0.669	40%	0.396	S	S	*	.	B	Isolated β-bridge	trans	-81.8	122	168.1	-57.1	0	0	0	0	108.6	G436 K437	G436-T456 CarbonylContact C-O 3.54Å; G436-T456 WeakPolarHBondContact CA-O 3.45Å; K437-T456 PolarHBondContact N-O 3.15Å; K437-T456 WeakPolarHBondContact O-CB 3.21Å; K437-T456 PolarHBondContact O-N 3.17Å
457	V	91.2	Very high	88.2	Confident	17 Å²	17	76.1 Å²	76.1	10%	0.103	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-102	131.9	-172.9	-176.7	0	0	0	0	109.5	L461 D463 L466	V457-L461 HydrophobicContact CG1-CB 3.71Å; V457-L461 HydrophobicContact CG1-CD1 3.96Å; V457-L461 HydrophobicContact CG1-CG 4.34Å; V457-D463 WeakPolarHBondContact CG2-O 3.43Å; V457-L466 HydrophobicContact CG1-CD1 4.24Å; V457-L466 HydrophobicContact CG2-CB 3.94Å; V457-L466 HydrophobicContact CG2-CD1 3.67Å; V457-L466 HydrophobicContact CG2-CG 4.28Å
458	P	87.6	Confident	89	Confident	50 Å²	50	73.4 Å²	73.4	33%	0.325	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-52.9	144.7	172.8	-28.5	34.4	0	0	0	113.3	L435 G460 L461	L435-P458 WeakPolarHBondContact O-CD 3.36Å; P458-G460 PolarHBondContact O-N 3.4Å; P458-L461 HydrophobicContact CB-CD1 4.24Å; P458-L461 HydrophobicContact CG-CD1 4.21Å; P458-L461 PolarHBondContact O-N 3.09Å
459	K	84.5	Confident	89.8	Confident	214 Å²	214	70.3 Å²	70.3	93%	0.93	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	128.1	178	-67.5	-175.6	179.4	-178.9	0	109.8
460	G	80.9	Confident	90.1	Very high	79 Å²	79	67.5 Å²	67.5	81%	0.814	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.2	-7.4	177.9	0	0	0	0	0	115.8	P458	P458-G460 PolarHBondContact O-N 3.4Å
461	L	83.7	Confident	90.2	Very high	31 Å²	31	65.3 Å²	65.3	16%	0.162	34%	0.339	C	S	.	.			trans	-87.5	143.1	172.2	-56.8	179.3	0	0	0	111.2	V457 P458 Q464	V457-L461 HydrophobicContact CG1-CB 3.71Å; V457-L461 HydrophobicContact CG1-CD1 3.96Å; V457-L461 HydrophobicContact CG1-CG 4.34Å; P458-L461 HydrophobicContact CB-CD1 4.24Å; P458-L461 HydrophobicContact CG-CD1 4.21Å; P458-L461 PolarHBondContact O-N 3.09Å; L461-Q464 PolarHBondContact O-NE2 3.29Å
462	A	81.5	Confident	90.2	Very high	79 Å²	79	62 Å²	62	65%	0.653	32%	0.324	S	S	*	.	S	Bend	trans	-73.8	-32.2	-175.7	0	0	0	0	0	113.4	Q464	A462-Q464 VanDerWaalsContact C-N 3.3Å; A462-Q464 PolarHBondContact O-N 3.18Å
463	D	86.2	Confident	89.9	Confident	17 Å²	17	62.9 Å²	62.9	9%	0.091	33%	0.327	C	S	.	.			trans	-80.4	64.8	-174.9	-68.9	-31.1	0	0	0	113.4	N367 L368 K369 S370 V457 N465 L466	N367-D463 WeakPolarHBondContact O-CB 3.23Å; N367-D463 VanDerWaalsContact O-CG 3.27Å; L368-D463 VanDerWaalsContact C-OD2 3.24Å; L368-D463 WeakPolarHBondContact CA-OD2 3.34Å; K369-D463 PolarHBondContact N-OD1 3.03Å; K369-D463 VanDerWaalsContact N-OD1 3.16Å; K369-D463 PolarHBondContact N-OD2 2.92Å; K369-D463 VanDerWaalsContact N-OD2 3.11Å; S370-D463 VanDerWaalsContact CB-OD2 3.31Å; S370-D463 WeakPolarHBondContact CB-OD2 3.11Å; S370-D463 VanDerWaalsContact N-CG 3.35Å; S370-D463 PolarHBondContact N-OD1 3.19Å; S370-D463 VanDerWaalsContact N-OD1 3.08Å; S370-D463 PolarHBondContact N-OD2 2.93Å; S370-D463 PolarHBondContact OG-OD2 3.22Å; V457-D463 WeakPolarHBondContact CG2-O 3.43Å; D463-N465 PolarHBondContact O-N 3.29Å; D463-L466 HydrophobicContact CB-CD1 3.98Å; D463-L466 HydrophobicContact CB-CG 4Å; D463-L466 WeakPolarHBondContact O-CD1 3.33Å; D463-L466 WeakPolarHBondContact O-CG 3.28Å; D463-L466 PolarHBondContact O-N 3.36Å
464	Q	86.5	Confident	89.6	Confident	101 Å²	101	61 Å²	61	47%	0.472	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-10.1	-176.2	-67.4	-65.4	-39.6	0	0	115.3	L461 A462	L461-Q464 PolarHBondContact O-NE2 3.29Å; A462-Q464 VanDerWaalsContact C-N 3.3Å; A462-Q464 PolarHBondContact O-N 3.18Å
465	N	89.7	Confident	89.1	Confident	102 Å²	102	60.4 Å²	60.4	55%	0.545	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	25.5	-176.4	-75.7	-31	0	0	0	113.9	N367 D463 R467	N367-N465 WeakPolarHBondContact CB-O 3.41Å; N367-N465 PolarHBondContact ND2-O 3.45Å; D463-N465 PolarHBondContact O-N 3.29Å; N465-R467 PolarHBondContact O-N 2.85Å
466	L	93	Very high	88.7	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.016	33%	0.333	C	S	.	.			trans	-53.6	135.1	176.4	-82.5	156.3	0	0	0	112.6	L368 L420 L435 M455 V457 D463	L368-L466 HydrophobicContact CD2-CD2 3.43Å; L368-L466 VanDerWaalsContact CD2-CD2 3.43Å; L368-L466 HydrophobicContact CG-CD2 3.7Å; L420-L466 HydrophobicContact CD2-CD2 4.38Å; L435-L466 HydrophobicContact CB-CD1 4.49Å; L435-L466 WeakPolarHBondContact O-CD1 2.96Å; M455-L466 HydrophobicContact CB-CB 4.06Å; M455-L466 HydrophobicContact CG-CB 4.49Å; M455-L466 PolarHBondContact N-O 3.41Å; V457-L466 HydrophobicContact CG1-CD1 4.24Å; V457-L466 HydrophobicContact CG2-CB 3.94Å; V457-L466 HydrophobicContact CG2-CD1 3.67Å; V457-L466 HydrophobicContact CG2-CG 4.28Å; D463-L466 HydrophobicContact CB-CD1 3.98Å; D463-L466 HydrophobicContact CB-CG 4Å; D463-L466 WeakPolarHBondContact O-CD1 3.33Å; D463-L466 WeakPolarHBondContact O-CG 3.28Å; D463-L466 PolarHBondContact O-N 3.36Å
467	R	94.3	Very high	88.4	Confident	125 Å²	125	59.3 Å²	59.3	47%	0.472	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	148.5	175.1	-61.2	-174.3	-177.4	-174.2	-0.2	110.6	A365 Q366 W452 Y453 N465	A365-R467 CarbonylContact C-O 3.32Å; A365-R467 WeakPolarHBondContact CA-O 3.35Å; Q366-R467 PolarHBondContact N-O 2.93Å; Q366-R467 PolarHBondContact O-N 2.87Å; W452-R467 HydrophobicContact CE3-CB 3.84Å; W452-R467 HydrophobicContact CZ3-CB 4.24Å; Y453-R467 CarbonylContact O-C 3.59Å; Y453-R467 VanDerWaalsContact O-CA 3.23Å; Y453-R467 WeakPolarHBondContact O-CA 3.3Å; N465-R467 PolarHBondContact O-N 2.85Å
468	I	94.9	Very high	87.9	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	137.7	176.2	-166.9	169.8	0	0	0	109.7	V362 E364 V418 V438 Y453 M455 M470	V362-I468 HydrophobicContact CG1-CD1 3.89Å; V362-I468 HydrophobicContact CG1-CG1 4.35Å; E364-I468 CarbonylContact O-C 3.56Å; E364-I468 WeakPolarHBondContact O-CA 3.18Å; V418-I468 HydrophobicContact CG1-CD1 3.92Å; V438-I468 HydrophobicContact CB-CG2 4.46Å; V438-I468 HydrophobicContact CG1-CG2 3.85Å; Y453-I468 PolarHBondContact N-O 3.3Å; Y453-I468 PolarHBondContact O-N 2.68Å; M455-I468 HydrophobicContact CE-CB 4.45Å; M455-I468 HydrophobicContact CE-CD1 4.33Å; M455-I468 HydrophobicContact CE-CG2 4.22Å; M455-I468 HydrophobicContact CG-CB 4.14Å; M455-I468 HydrophobicContact CG-CG2 3.83Å; M455-I468 HydrophobicContact SD-CB 3.87Å; M455-I468 HydrophobicContact SD-CG2 4.04Å; I468-M470 HydrophobicContact CD1-CG 4.42Å; I468-M470 HydrophobicContact CD1-SD 4.28Å; I468-M470 HydrophobicContact CG1-CG 4.12Å; I468-M470 HydrophobicContact CG1-SD 4.5Å; I468-M470 HydrophobicContact CG2-CG 4.4Å; I468-M470 HydrophobicContact CG2-SD 4.27Å
469	R	95	Very high	87.9	Confident	83 Å²	83	63.2 Å²	63.2	31%	0.313	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	128.7	177.1	-163.3	-177.9	-179.6	-173.3	-3.7	109.8	L363 E364 P450 E451 W452	L363-R469 HydrophobicContact CB-CB 4.37Å; L363-R469 HydrophobicContact CD1-CG 4.26Å; L363-R469 PolarHBondContact N-O 3.17Å; E364-R469 HydrophobicContact CG-CB 3.61Å; E364-R469 HydrophobicContact CG-CG 4.41Å; E364-R469 PolarHBondContact N-O 3.15Å; E364-R469 PolarHBondContact O-N 2.71Å; E364-R469 WeakPolarHBondContact OE1-CD 3.43Å; E364-R469 IonicContact OE1-CZ 3.76Å; E364-R469 IonicContact OE1-NE 3.88Å; E364-R469 IonicContact OE1-NH1 2.59Å; E364-R469 PolarHBondContact OE1-NH1 3.22Å; P450-R469 HydrophobicContact CB-CG 4.41Å; E451-R469 VanDerWaalsContact O-CA 3.29Å; E451-R469 WeakPolarHBondContact O-CA 3.48Å; W452-R469 HydrophobicContact CD2-CB 3.78Å; W452-R469 HydrophobicContact CD2-CG 4.07Å; W452-R469 HydrophobicContact CE3-CB 3.71Å; W452-R469 HydrophobicContact CE3-CG 4.49Å; W452-R469 HydrophobicContact CG-CG 4.38Å; W452-R469 HydrophobicContact CH2-CB 3.83Å; W452-R469 HydrophobicContact CZ2-CB 3.91Å; W452-R469 HydrophobicContact CZ2-CG 4.31Å; W452-R469 HydrophobicContact CZ3-CB 3.74Å
470	M	93.4	Very high	88.2	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	151.5	-177	-59.7	-175.7	51	0	0	111.4	V360 V361 V362 V418 V438 P450 E451 Y453 I468	V360-M470 HydrophobicContact CG1-CE 3.18Å; V361-M470 CarbonylContact O-C 3.53Å; V361-M470 WeakPolarHBondContact O-CA 3.39Å; V361-M470 WeakPolarHBondContact O-CB 3.34Å; V362-M470 HydrophobicContact CG2-CE 3.71Å; V362-M470 HydrophobicContact CG2-CG 4.26Å; V362-M470 HydrophobicContact CG2-SD 4.11Å; V418-M470 HydrophobicContact CB-CE 4.29Å; V418-M470 HydrophobicContact CB-SD 3.86Å; V418-M470 HydrophobicContact CG1-CE 4.38Å; V418-M470 HydrophobicContact CG1-SD 3.79Å; V418-M470 HydrophobicContact CG2-CE 3.4Å; V418-M470 HydrophobicContact CG2-SD 3.62Å; V438-M470 HydrophobicContact CG1-SD 4.44Å; P450-M470 CarbonylContact C-O 3.39Å; P450-M470 WeakPolarHBondContact CA-O 3.33Å; E451-M470 PolarHBondContact N-O 3.49Å; E451-M470 PolarHBondContact O-N 3.42Å; Y453-M470 HydrophobicContact CD2-CB 4.24Å; Y453-M470 HydrophobicContact CE2-CB 4.1Å; I468-M470 HydrophobicContact CD1-CG 4.42Å; I468-M470 HydrophobicContact CD1-SD 4.28Å; I468-M470 HydrophobicContact CG1-CG 4.12Å; I468-M470 HydrophobicContact CG1-SD 4.5Å; I468-M470 HydrophobicContact CG2-CG 4.4Å; I468-M470 HydrophobicContact CG2-SD 4.27Å
471	A	92	Very high	88.6	Confident	6 Å²	6	51.5 Å²	51.5	5%	0.05	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.7	165.9	0	0	0	0	0	109.2	V361 P450	V361-A471 HydrophobicContact CB-CB 4.34Å; V361-A471 PolarHBondContact N-O 3.17Å; V361-A471 PolarHBondContact O-N 2.89Å; P450-A471 HydrophobicContact CB-CB 4.31Å; P450-A471 HydrophobicContact CG-CB 4.07Å
472	I	91.1	Very high	89	Confident	10 Å²	10	51.2 Å²	51.2	5%	0.051	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.4	175.8	-63.7	161.2	0	0	0	107.3	E359 V360 I416 V440 P442	E359-I472 WeakPolarHBondContact O-CA 3.23Å; V360-I472 HydrophobicContact CG1-CG1 4.45Å; I416-I472 HydrophobicContact CD1-CD1 4.12Å; I416-I472 HydrophobicContact CD1-CG1 4.21Å; I416-I472 HydrophobicContact CD1-CG2 3.63Å; V440-I472 HydrophobicContact CB-CD1 3.83Å; V440-I472 HydrophobicContact CG1-CD1 3.57Å; V440-I472 HydrophobicContact CG2-CD1 4.05Å; P442-I472 HydrophobicContact CB-CG2 3.89Å; P442-I472 HydrophobicContact CG-CG2 4.15Å
473	R	87.1	Confident	89.6	Confident	110 Å²	110	47.5 Å²	47.5	42%	0.415	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	121.3	178.3	-61.3	171.6	176.8	-123.1	-0.9	108.6	L358 E359 R448	L358-R473 CarbonylContact C-O 3.55Å; L358-R473 VanDerWaalsContact CA-O 3.32Å; L358-R473 WeakPolarHBondContact CA-O 3.49Å; E359-R473 HydrophobicContact CB-CB 4.16Å; E359-R473 PolarHBondContact N-O 3.31Å; E359-R473 PolarHBondContact O-N 3.08Å; E359-R473 WeakPolarHBondContact OE2-CD 3.34Å; R448-R473 HydrophobicContact CB-CG 4.26Å
474	T	86.7	Confident	89.9	Confident	7 Å²	7	47 Å²	47	4%	0.043	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	116.7	174.6	51.1	0	0	0	0	108.9	L358 P442 T443 P444 K476	L358-T474 HydrophobicContact CD2-CG2 3.68Å; L358-T474 HydrophobicContact CG-CG2 3.98Å; P442-T474 HydrophobicContact CB-CG2 4.12Å; P442-T474 HydrophobicContact CG-CG2 4.42Å; T443-T474 PolarHBondContact O-OG1 3.21Å; P444-T474 WeakPolarHBondContact CA-OG1 3.23Å; T474-K476 PolarHBondContact O-N 3.05Å
475	E	85.2	Confident	90.2	Very high	122 Å²	122	46.4 Å²	46.4	57%	0.57	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	118.8	170.7	-164.9	-178.6	-169.4	0	0	109.1	N357 P477	N357-E475 HydrophobicContact CB-CB 4.12Å; N357-E475 PolarHBondContact ND2-OE2 3.06Å; N357-E475 PolarHBondContact O-N 3.34Å; E475-P477 WeakPolarHBondContact O-CD 3.39Å
476	K	84.5	Confident	90.4	Very high	70 Å²	70	41.6 Å²	41.6	30%	0.304	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-74.5	121.8	177.1	176.2	172.8	169.1	-178.4	0	109.1	T474 L480 K481	T474-K476 PolarHBondContact O-N 3.05Å; K476-L480 WeakPolarHBondContact CE-O 3.45Å; K476-L480 HydrophobicContact CG-CB 4.35Å; K476-L480 HydrophobicContact CG-CD2 4.22Å; K476-L480 HydrophobicContact CG-CG 4.41Å; K476-K481 PolarHBondContact NZ-O 3.39Å
477	P	87	Confident	90.5	Very high	19 Å²	19	43.2 Å²	43.2	12%	0.123	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-67.2	145.9	178.1	25.3	-31	0	0	0	111.2	L354 H355 F356 E475 N479 L480	L354-P477 HydrophobicContact CB-CG 4.39Å; L354-P477 HydrophobicContact CD2-CG 4.31Å; H355-P477 VanDerWaalsContact O-CB 3.31Å; H355-P477 WeakPolarHBondContact O-CB 3.37Å; H355-P477 WeakPolarHBondContact O-CG 3.47Å; F356-P477 VanDerWaalsContact CD1-CD 3.42Å; F356-P477 HydrophobicContact CD1-CG 4.05Å; F356-P477 HydrophobicContact CE1-CG 3.83Å; F356-P477 HydrophobicContact CZ-CG 4.12Å; E475-P477 WeakPolarHBondContact O-CD 3.39Å; P477-N479 VanDerWaalsContact C-N 3.27Å; P477-N479 WeakPolarHBondContact CB-OD1 3.42Å; P477-N479 PolarHBondContact O-N 2.78Å; P477-L480 HydrophobicContact CG-CB 3.88Å; P477-L480 WeakPolarHBondContact O-CB 3.37Å; P477-L480 PolarHBondContact O-N 3.45Å
478	Q	81.5	Confident	90.5	Very high	107 Å²	107	37.2 Å²	37.2	50%	0.5	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-26.4	-171.3	-67.6	-173	-8.3	0	0	114.5	N297 L480 K481	N297-Q478 VanDerWaalsContact CB-OE1 3.3Å; N297-Q478 PolarHBondContact ND2-OE1 3.22Å; N297-Q478 PolarHBondContact OD1-OE1 3.21Å; Q478-L480 VanDerWaalsContact C-N 3.31Å; Q478-K481 PolarHBondContact O-NZ 3.15Å; Q478-K481 VanDerWaalsContact O-NZ 3.1Å
479	N	87.1	Confident	90.5	Very high	43 Å²	43	39.8 Å²	39.8	23%	0.23	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-18.5	173.4	61.8	-27.8	0	0	0	112.2	V296 P477 K481 I505 Q506	V296-N479 HydrophobicContact CG1-CB 4.42Å; P477-N479 VanDerWaalsContact C-N 3.27Å; P477-N479 WeakPolarHBondContact CB-OD1 3.42Å; P477-N479 PolarHBondContact O-N 2.78Å; N479-K481 PolarHBondContact O-N 2.87Å; N479-I505 CarbonylContact O-C 3.48Å; N479-I505 WeakPolarHBondContact O-CA 3.28Å; N479-Q506 WeakPolarHBondContact CB-O 3.28Å; N479-Q506 PolarHBondContact O-N 2.94Å
480	L	91.1	Very high	90.2	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.016	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	103.6	169.4	-179.1	59.7	0	0	0	109.1	L354 F356 P444 K476 P477 Q478 Y482 C483 C503 I505	L354-L480 HydrophobicContact CD1-CB 4.3Å; L354-L480 HydrophobicContact CD1-CD1 3.9Å; L354-L480 HydrophobicContact CD1-CD2 4.21Å; L354-L480 HydrophobicContact CD1-CG 4.37Å; L354-L480 HydrophobicContact CD2-CB 4.14Å; F356-L480 HydrophobicContact CE1-CD2 3.74Å; F356-L480 HydrophobicContact CZ-CD2 3.87Å; P444-L480 HydrophobicContact CG-CD2 4.22Å; K476-L480 WeakPolarHBondContact CE-O 3.45Å; K476-L480 HydrophobicContact CG-CB 4.35Å; K476-L480 HydrophobicContact CG-CD2 4.22Å; K476-L480 HydrophobicContact CG-CG 4.41Å; P477-L480 HydrophobicContact CG-CB 3.88Å; P477-L480 WeakPolarHBondContact O-CB 3.37Å; P477-L480 PolarHBondContact O-N 3.45Å; Q478-L480 VanDerWaalsContact C-N 3.31Å; L480-Y482 WeakPolarHBondContact CD1-O 3.27Å; L480-C483 HydrophobicContact CD1-CB 4.14Å; L480-C483 HydrophobicContact CD2-CB 4.15Å; L480-C483 HydrophobicContact CG-CB 4.44Å; L480-C503 HydrophobicContact CD1-CB 3.55Å; L480-I505 HydrophobicContact CD1-CG1 4.29Å
481	K	89.5	Confident	89.9	Confident	43 Å²	43	43.1 Å²	43.1	19%	0.187	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-41.5	-177.8	-62.3	-51.4	-178	-179.1	0	113	D237 K476 Q478 N479 L504 Q506 F512	D237-K481 WeakPolarHBondContact OD1-CE 3.39Å; D237-K481 IonicContact OD1-NZ 2.9Å; D237-K481 PolarHBondContact OD1-NZ 3.2Å; D237-K481 WeakPolarHBondContact OD2-CD 3.45Å; D237-K481 WeakPolarHBondContact OD2-CE 3.49Å; D237-K481 IonicContact OD2-NZ 3.63Å; D237-K481 PolarHBondContact OD2-NZ 2.89Å; K476-K481 PolarHBondContact NZ-O 3.39Å; Q478-K481 PolarHBondContact O-NZ 3.15Å; Q478-K481 VanDerWaalsContact O-NZ 3.1Å; N479-K481 PolarHBondContact O-N 2.87Å; K481-L504 HydrophobicContact CB-CD2 4.3Å; K481-L504 HydrophobicContact CB-CG 4.34Å; K481-L504 PolarHBondContact N-O 3.39Å; K481-Q506 HydrophobicContact CD-CB 4.38Å; K481-Q506 VanDerWaalsContact CE-CB 3.45Å; K481-Q506 VanDerWaalsContact CE-CD 3.49Å; K481-Q506 HydrophobicContact CG-CB 4.05Å; K481-F512 HydrophobicContact CG-CD1 4.44Å; K481-F512 HydrophobicContact CG-CE1 3.97Å
482	Y	92.5	Very high	89.6	Confident	26 Å²	26	47.1 Å²	47.1	10%	0.102	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	154.4	175.2	-160.8	-122.5	0	0	0	110.8	L480 L504 M574 W575 A578	L480-Y482 WeakPolarHBondContact CD1-O 3.27Å; Y482-L504 PolarHBondContact O-N 3.21Å; Y482-M574 HydrophobicContact CE1-CB 3.88Å; Y482-M574 HydrophobicContact CE2-CB 3.89Å; Y482-M574 HydrophobicContact CE2-CE 4.03Å; Y482-M574 VanDerWaalsContact CZ-CB 3.41Å; Y482-M574 WeakPolarHBondContact OH-CB 3.48Å; Y482-W575 AromaticContact CD1-CD2 3.35Å; Y482-W575 HydrophobicContact CD1-CD2 3.35Å; Y482-W575 AromaticContact CD1-CE2 3.47Å; Y482-W575 VanDerWaalsContact CD1-CE2 3.47Å; Y482-W575 AromaticContact CD1-CE3 3.54Å; Y482-W575 HydrophobicContact CD1-CE3 3.54Å; Y482-W575 AromaticContact CD1-CG 3.86Å; Y482-W575 HydrophobicContact CD1-CG 3.86Å; Y482-W575 AromaticContact CD1-CH2 3.93Å; Y482-W575 HydrophobicContact CD1-CH2 3.93Å; Y482-W575 AromaticContact CD1-CZ2 3.79Å; Y482-W575 HydrophobicContact CD1-CZ2 3.79Å; Y482-W575 AromaticContact CD1-CZ3 3.8Å; Y482-W575 HydrophobicContact CD1-CZ3 3.8Å; Y482-W575 AromaticContact CD1-NE1 3.98Å; Y482-W575 HydrophobicContact CE1-CB 4.35Å; Y482-W575 AromaticContact CE1-CD1 3.57Å; Y482-W575 AromaticContact CE1-CD2 3.53Å; Y482-W575 HydrophobicContact CE1-CD2 3.53Å; Y482-W575 AromaticContact CE1-CE2 3.45Å; Y482-W575 VanDerWaalsContact CE1-CE2 3.45Å; Y482-W575 HydrophobicContact CE1-CE3 4.21Å; Y482-W575 AromaticContact CE1-CG 3.59Å; Y482-W575 HydrophobicContact CE1-CG 3.59Å; Y482-W575 HydrophobicContact CE1-CZ2 4.08Å; Y482-W575 AromaticContact CE1-NE1 3.44Å; Y482-A578 HydrophobicContact CD1-CB 4.41Å; Y482-A578 HydrophobicContact CG-CB 4.18Å
483	C	93.7	Very high	89.5	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	154.7	176.8	60.4	0	0	0	0	110.9	N445 L480 F501 F502	N445-C483 PolarHBondContact ND2-O 3.04Å; L480-C483 HydrophobicContact CD1-CB 4.14Å; L480-C483 HydrophobicContact CD2-CB 4.15Å; L480-C483 HydrophobicContact CG-CB 4.44Å; C483-F501 HydrophobicContact CB-CE1 4.08Å; C483-F501 HydrophobicContact CB-CZ 3.83Å; C483-F502 CarbonylContact C-O 3.53Å; C483-F502 WeakPolarHBondContact CA-O 3.47Å; C483-F502 VanDerWaalsContact CB-O 3.29Å; C483-F502 WeakPolarHBondContact CB-O 3.43Å
484	G	93	Very high	89.7	Confident	7 Å²	7	43 Å²	43	7%	0.072	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.9	172.6	-177.2	0	0	0	0	0	112.3	F502	G484-F502 PolarHBondContact N-O 2.77Å; G484-F502 PolarHBondContact O-N 3.29Å
485	Y	92.6	Very high	90	Very high	89 Å²	89	49 Å²	49	35%	0.349	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	126.4	175.9	-73	-83.1	0	0	0	111	K499 R500 F501	Y485-K499 VanDerWaalsContact CB-CE 3.45Å; Y485-K499 HydrophobicContact CD1-CG 4.31Å; Y485-R500 WeakPolarHBondContact CA-O 2.99Å; Y485-F501 HydrophobicContact CD1-CB 4.01Å; Y485-F501 HydrophobicContact CD1-CD2 4.18Å; Y485-F501 AromaticContact CD2-CD2 3.82Å; Y485-F501 HydrophobicContact CD2-CD2 3.82Å; Y485-F501 HydrophobicContact CD2-CE2 4.39Å; Y485-F501 HydrophobicContact CE1-CB 3.74Å; Y485-F501 HydrophobicContact CE1-CD2 4.04Å; Y485-F501 HydrophobicContact CE1-CG 4.38Å; Y485-F501 AromaticContact CE2-CD2 3.65Å; Y485-F501 HydrophobicContact CE2-CD2 3.65Å; Y485-F501 HydrophobicContact CE2-CE2 4.22Å; Y485-F501 HydrophobicContact CG-CD2 4.07Å; Y485-F501 AromaticContact CZ-CD2 3.77Å
486	C	93.1	Very high	90.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	153.5	172.7	-56.7	0	0	0	0	110.5	K499 R500 F502 A565 W575	C486-K499 WeakPolarHBondContact O-CA 3.37Å; C486-R500 PolarHBondContact N-O 2.85Å; C486-R500 PolarHBondContact O-N 3.04Å; C486-F502 HydrophobicContact CB-CD2 3.74Å; C486-F502 HydrophobicContact CB-CE2 4Å; C486-A565 WeakPolarHBondContact CA-O 3.42Å; C486-W575 VanDerWaalsContact SG-CD1 3.57Å; C486-W575 PolarHBondContact SG-NE1 2.68Å
487	Y	95.4	Very high	90.7	Very high	37 Å²	37	48.5 Å²	48.5	15%	0.145	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	140.9	159.2	-63.7	-101.1	0	0	0	107.8	W497 K499 G547 F564 A565	Y487-W497 AromaticContact CD1-NE1 3.83Å; Y487-W497 HydrophobicContact CG-CZ2 4.09Å; Y487-K499 HydrophobicContact CD1-CB 4.06Å; Y487-K499 HydrophobicContact CD2-CB 4.47Å; Y487-K499 HydrophobicContact CD2-CG 4.4Å; Y487-K499 HydrophobicContact CE1-CB 3.73Å; Y487-K499 HydrophobicContact CE1-CG 4.48Å; Y487-K499 HydrophobicContact CE2-CB 4.16Å; Y487-K499 HydrophobicContact CE2-CD 3.92Å; Y487-K499 HydrophobicContact CE2-CG 4.02Å; Y487-K499 HydrophobicContact CG-CB 4.41Å; Y487-G547 VanDerWaalsContact CE1-O 3.26Å; Y487-G547 WeakPolarHBondContact CE1-O 3.43Å; Y487-F564 CarbonylContact O-C 3.59Å; Y487-F564 WeakPolarHBondContact O-CA 3.34Å; Y487-A565 PolarHBondContact N-O 2.88Å; Y487-A565 PolarHBondContact O-N 3.34Å
488	A	94.6	Very high	90.9	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	143.2	177.3	0	0	0	0	0	110.7	W494 W497 F502 K563 F564	A488-W494 HydrophobicContact CB-CB 4.35Å; A488-W494 HydrophobicContact CB-CE3 4.45Å; A488-W494 HydrophobicContact CB-CG 4.47Å; A488-W497 VanDerWaalsContact C-CE3 3.45Å; A488-F502 HydrophobicContact CB-CE2 3.89Å; A488-F502 HydrophobicContact CB-CZ 3.51Å; A488-K563 CarbonylContact C-O 3.39Å; A488-K563 VanDerWaalsContact CA-O 3.26Å; A488-K563 WeakPolarHBondContact CA-O 3.45Å; A488-F564 HydrophobicContact CB-CD1 3.59Å; A488-F564 HydrophobicContact CB-CE1 3.69Å
489	L	93.4	Very high	91.5	Very high	54 Å²	54	52.9 Å²	52.9	28%	0.283	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	126.5	171.2	175.6	70.2	0	0	0	108.9	W494 K495 W497 L544 I562 K563	L489-W494 CarbonylContact C-O 3.53Å; L489-W494 WeakPolarHBondContact CA-O 3.36Å; L489-K495 WeakPolarHBondContact CD1-O 3.49Å; L489-W497 HydrophobicContact CB-CB 4.48Å; L489-W497 HydrophobicContact CB-CE3 3.62Å; L489-W497 HydrophobicContact CB-CZ3 4.24Å; L489-L544 HydrophobicContact CD2-CD1 4.2Å; L489-L544 HydrophobicContact CD2-CD2 4.11Å; L489-I562 CarbonylContact O-C 3.58Å; L489-I562 WeakPolarHBondContact O-CA 3.21Å; L489-K563 PolarHBondContact N-O 3.23Å; L489-K563 PolarHBondContact O-N 3.48Å
490	G	90.6	Very high	91.9	Very high	7 Å²	7	52.4 Å²	52.4	7%	0.072	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	169.5	174.6	0	0	0	0	0	111.2	W494 K495	G490-W494 PolarHBondContact N-O 3.36Å; G490-W494 CarbonylContact O-C 3.6Å; G490-K495 WeakPolarHBondContact O-CA 3.37Å
491	K	86.5	Confident	92	Very high	145 Å²	145	52.5 Å²	52.5	63%	0.63	24%	0.241	S	C	*	.	S	Bend	trans	-78.1	-36.1	-174.9	-63.6	179.3	-173.4	169.3	0	113.4	G559	K491-G559 PolarHBondContact NZ-O 3.19Å
492	V	86.3	Confident	92.3	Very high	91 Å²	91	50.4 Å²	50.4	55%	0.552	23%	0.232	S	C	*	.	S	Bend	trans	-97.7	-61.5	-169.4	-175.8	0	0	0	0	111.8	K495 E560	V492-K495 WeakPolarHBondContact O-CE 3.25Å; V492-E560 WeakPolarHBondContact CB-OE1 3.36Å; V492-E560 VanDerWaalsContact CG2-OE1 3.3Å; V492-E560 WeakPolarHBondContact CG2-OE1 3.32Å
493	V	87.4	Confident	92.4	Very high	34 Å²	34	49.2 Å²	49.2	21%	0.206	23%	0.228	C	C	.	.	S	Bend	trans	-91.4	-61.4	-170.6	-177.4	0	0	0	0	112	K495 E526 M528	V493-K495 PolarHBondContact O-N 3.31Å; V493-E526 HydrophobicContact CG1-CB 3.74Å; V493-M528 HydrophobicContact CG2-CB 4.14Å
494	W	92.7	Very high	92.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.228	C	C	.	.			trans	-99.6	75.3	-176.4	-58.1	-63.3	0	0	0	113.1	A488 L489 G490 H496 F502 M514 S516 M528 I562 F564	A488-W494 HydrophobicContact CB-CB 4.35Å; A488-W494 HydrophobicContact CB-CE3 4.45Å; A488-W494 HydrophobicContact CB-CG 4.47Å; L489-W494 CarbonylContact C-O 3.53Å; L489-W494 WeakPolarHBondContact CA-O 3.36Å; G490-W494 PolarHBondContact N-O 3.36Å; G490-W494 CarbonylContact O-C 3.6Å; W494-H496 PolarHBondContact O-N 2.83Å; W494-F502 AromaticContact CD2-CE1 3.92Å; W494-F502 HydrophobicContact CD2-CE1 3.92Å; W494-F502 HydrophobicContact CD2-CZ 4.13Å; W494-F502 AromaticContact CE2-CE1 3.47Å; W494-F502 VanDerWaalsContact CE2-CE1 3.47Å; W494-F502 HydrophobicContact CE3-CE1 4.27Å; W494-F502 HydrophobicContact CG-CZ 4.44Å; W494-F502 HydrophobicContact CH2-CD1 4.45Å; W494-F502 AromaticContact CH2-CE1 3.82Å; W494-F502 HydrophobicContact CH2-CE1 3.82Å; W494-F502 HydrophobicContact CZ2-CD1 4.21Å; W494-F502 AromaticContact CZ2-CE1 3.48Å; W494-F502 HydrophobicContact CZ2-CE1 3.48Å; W494-F502 VanDerWaalsContact CZ2-CE1 3.48Å; W494-F502 HydrophobicContact CZ2-CZ 4.45Å; W494-F502 HydrophobicContact CZ3-CE1 4.2Å; W494-F502 AromaticContact NE1-CE1 3.84Å; W494-M514 HydrophobicContact CH2-CB 4.04Å; W494-M514 HydrophobicContact CH2-CG 3.69Å; W494-M514 HydrophobicContact CZ2-CG 4.49Å; W494-M514 HydrophobicContact CZ3-CG 4.37Å; W494-S516 PolarHBondContact NE1-OG 3.46Å; W494-M528 HydrophobicContact CE3-SD 4.23Å; W494-M528 HydrophobicContact CH2-CG 3.55Å; W494-M528 HydrophobicContact CH2-SD 3.51Å; W494-M528 VanDerWaalsContact CH2-SD 3.51Å; W494-M528 HydrophobicContact CZ2-CG 4.45Å; W494-M528 HydrophobicContact CZ3-CG 3.96Å; W494-M528 HydrophobicContact CZ3-SD 3.23Å; W494-M528 WeakPolarHBondContact CZ3-SD 3.49Å; W494-I562 HydrophobicContact CE3-CG2 4.05Å; W494-I562 HydrophobicContact CZ3-CD1 4.29Å; W494-I562 HydrophobicContact CZ3-CG2 4.35Å; W494-F564 HydrophobicContact CE3-CE1 4.4Å; W494-F564 HydrophobicContact CE3-CZ 4.36Å; W494-F564 HydrophobicContact CZ3-CE1 4.15Å; W494-F564 AromaticContact CZ3-CZ 3.88Å; W494-F564 HydrophobicContact CZ3-CZ 3.88Å
495	K	91.8	Very high	92.4	Very high	131 Å²	131	48.9 Å²	48.9	57%	0.57	22%	0.224	S	C	*	.			trans	-68.7	-5.2	-171.6	-59.1	-176.9	-177.7	179.4	0	116.8	L489 G490 V492 V493	L489-K495 WeakPolarHBondContact CD1-O 3.49Å; G490-K495 WeakPolarHBondContact O-CA 3.37Å; V492-K495 WeakPolarHBondContact O-CE 3.25Å; V493-K495 PolarHBondContact O-N 3.31Å
496	H	91.1	Very high	92.3	Very high	139 Å²	139	44.7 Å²	44.7	64%	0.644	21%	0.208	S	C	*	.	S	Bend	trans	-134.7	133.4	-176.6	-59.9	-59.7	0	0	0	111	W494 K498 R500	W494-H496 PolarHBondContact O-N 2.83Å; H496-K498 PolarHBondContact O-N 2.51Å; H496-R500 PolarHBondContact O-NH1 3.26Å; H496-R500 PolarHBondContact O-NH2 3.16Å
497	W	93.6	Very high	91.9	Very high	43 Å²	43	46.8 Å²	46.8	16%	0.163	22%	0.22	C	C	.	.			trans	-64	98.7	173.2	-171.2	-117.5	0	0	0	110	Y487 A488 L489 L544 G548 F552 A565	Y487-W497 AromaticContact CD1-NE1 3.83Å; Y487-W497 HydrophobicContact CG-CZ2 4.09Å; A488-W497 VanDerWaalsContact C-CE3 3.45Å; L489-W497 HydrophobicContact CB-CB 4.48Å; L489-W497 HydrophobicContact CB-CE3 3.62Å; L489-W497 HydrophobicContact CB-CZ3 4.24Å; W497-L544 HydrophobicContact CB-CD2 4.1Å; W497-L544 HydrophobicContact CD2-CB 4.37Å; W497-L544 HydrophobicContact CD2-CD1 4.33Å; W497-L544 HydrophobicContact CD2-CD2 4.21Å; W497-L544 HydrophobicContact CE3-CD1 4.26Å; W497-L544 HydrophobicContact CG-CD2 3.95Å; W497-L544 HydrophobicContact CH2-CD1 4.47Å; W497-L544 HydrophobicContact CZ2-CB 4.18Å; W497-L544 HydrophobicContact CZ3-CD1 4.32Å; W497-L544 PolarHBondContact NE1-O 2.82Å; W497-G548 WeakPolarHBondContact CZ2-O 3.47Å; W497-G548 PolarHBondContact NE1-O 2.96Å; W497-F552 HydrophobicContact CH2-CD1 4.11Å; W497-F552 AromaticContact CH2-CE1 3.52Å; W497-F552 HydrophobicContact CH2-CE1 3.52Å; W497-F552 HydrophobicContact CH2-CZ 4.19Å; W497-F552 AromaticContact CZ2-CE1 3.63Å; W497-F552 HydrophobicContact CZ2-CE1 3.63Å; W497-F552 AromaticContact CZ2-CZ 3.84Å; W497-F552 HydrophobicContact CZ2-CZ 3.84Å; W497-A565 HydrophobicContact CH2-CB 3.46Å; W497-A565 VanDerWaalsContact CH2-CB 3.46Å; W497-A565 HydrophobicContact CZ2-CB 3.67Å
498	K	91.5	Very high	91.3	Very high	127 Å²	127	45.7 Å²	45.7	55%	0.552	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-149.4	140.9	-175.7	177	178.4	-178	176.2	0	109.9	H496 R500	H496-K498 PolarHBondContact O-N 2.51Å; K498-R500 PolarHBondContact O-N 2.98Å; K498-R500 PolarHBondContact O-NH1 3.45Å; K498-R500 VanDerWaalsContact O-NH1 3.14Å
499	K	93.7	Very high	90.7	Very high	92 Å²	92	46.2 Å²	46.2	40%	0.4	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	121.5	172.9	-163.9	173.3	-176.4	171	0	110.3	Y485 C486 Y487	Y485-K499 VanDerWaalsContact CB-CE 3.45Å; Y485-K499 HydrophobicContact CD1-CG 4.31Å; C486-K499 WeakPolarHBondContact O-CA 3.37Å; Y487-K499 HydrophobicContact CD1-CB 4.06Å; Y487-K499 HydrophobicContact CD2-CB 4.47Å; Y487-K499 HydrophobicContact CD2-CG 4.4Å; Y487-K499 HydrophobicContact CE1-CB 3.73Å; Y487-K499 HydrophobicContact CE1-CG 4.48Å; Y487-K499 HydrophobicContact CE2-CB 4.16Å; Y487-K499 HydrophobicContact CE2-CD 3.92Å; Y487-K499 HydrophobicContact CE2-CG 4.02Å; Y487-K499 HydrophobicContact CG-CB 4.41Å
500	R	94.9	Very high	90	Very high	33 Å²	33	45.4 Å²	45.4	13%	0.125	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	157.1	177.2	-62.5	175.7	179	78.5	-4.3	109.3	Y485 C486 H496 K498 F502 E526	Y485-R500 WeakPolarHBondContact CA-O 2.99Å; C486-R500 PolarHBondContact N-O 2.85Å; C486-R500 PolarHBondContact O-N 3.04Å; H496-R500 PolarHBondContact O-NH1 3.26Å; H496-R500 PolarHBondContact O-NH2 3.16Å; K498-R500 PolarHBondContact O-N 2.98Å; K498-R500 PolarHBondContact O-NH1 3.45Å; K498-R500 VanDerWaalsContact O-NH1 3.14Å; R500-F502 HydrophobicContact CB-CD2 4.21Å; R500-F502 HydrophobicContact CB-CE2 3.68Å; R500-F502 HydrophobicContact CB-CZ 4.03Å; R500-E526 IonicContact CZ-OE2 3.74Å; R500-E526 IonicContact NE-OE2 3.22Å; R500-E526 PolarHBondContact NE-OE2 3.3Å; R500-E526 VanDerWaalsContact NE-OE2 3.08Å; R500-E526 IonicContact NH2-OE2 3.38Å
501	F	94.1	Very high	89.7	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.018	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	119.1	170.4	-170.9	-99.9	0	0	0	109	L413 T443 C483 Y485 S516 Y517	L413-F501 HydrophobicContact CD1-CB 3.67Å; L413-F501 HydrophobicContact CD1-CD1 3.92Å; L413-F501 HydrophobicContact CD1-CD2 4.49Å; L413-F501 HydrophobicContact CD1-CG 3.78Å; L413-F501 HydrophobicContact CD2-CD1 3.88Å; L413-F501 HydrophobicContact CD2-CD2 3.9Å; L413-F501 HydrophobicContact CD2-CE1 3.91Å; L413-F501 HydrophobicContact CD2-CE2 3.94Å; L413-F501 HydrophobicContact CD2-CG 3.86Å; L413-F501 HydrophobicContact CD2-CZ 3.95Å; L413-F501 HydrophobicContact CG-CB 4.45Å; L413-F501 HydrophobicContact CG-CD1 3.79Å; L413-F501 HydrophobicContact CG-CE1 4.12Å; L413-F501 HydrophobicContact CG-CG 4.02Å; T443-F501 HydrophobicContact CG2-CE2 4.22Å; C483-F501 HydrophobicContact CB-CE1 4.08Å; C483-F501 HydrophobicContact CB-CZ 3.83Å; Y485-F501 HydrophobicContact CD1-CB 4.01Å; Y485-F501 HydrophobicContact CD1-CD2 4.18Å; Y485-F501 AromaticContact CD2-CD2 3.82Å; Y485-F501 HydrophobicContact CD2-CD2 3.82Å; Y485-F501 HydrophobicContact CD2-CE2 4.39Å; Y485-F501 HydrophobicContact CE1-CB 3.74Å; Y485-F501 HydrophobicContact CE1-CD2 4.04Å; Y485-F501 HydrophobicContact CE1-CG 4.38Å; Y485-F501 AromaticContact CE2-CD2 3.65Å; Y485-F501 HydrophobicContact CE2-CD2 3.65Å; Y485-F501 HydrophobicContact CE2-CE2 4.22Å; Y485-F501 HydrophobicContact CG-CD2 4.07Å; Y485-F501 AromaticContact CZ-CD2 3.77Å; F501-S516 CarbonylContact O-C 3.53Å; F501-S516 VanDerWaalsContact O-CA 3.31Å; F501-S516 WeakPolarHBondContact O-CA 3.46Å; F501-Y517 PolarHBondContact O-N 3.41Å
502	F	95.5	Very high	89.9	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	146.6	-178.5	-73.9	-83.7	0	0	0	111.5	C483 G484 C486 A488 W494 R500 M514 C515 F564 W575	C483-F502 CarbonylContact C-O 3.53Å; C483-F502 WeakPolarHBondContact CA-O 3.47Å; C483-F502 VanDerWaalsContact CB-O 3.29Å; C483-F502 WeakPolarHBondContact CB-O 3.43Å; G484-F502 PolarHBondContact N-O 2.77Å; G484-F502 PolarHBondContact O-N 3.29Å; C486-F502 HydrophobicContact CB-CD2 3.74Å; C486-F502 HydrophobicContact CB-CE2 4Å; A488-F502 HydrophobicContact CB-CE2 3.89Å; A488-F502 HydrophobicContact CB-CZ 3.51Å; W494-F502 AromaticContact CD2-CE1 3.92Å; W494-F502 HydrophobicContact CD2-CE1 3.92Å; W494-F502 HydrophobicContact CD2-CZ 4.13Å; W494-F502 AromaticContact CE2-CE1 3.47Å; W494-F502 VanDerWaalsContact CE2-CE1 3.47Å; W494-F502 HydrophobicContact CE3-CE1 4.27Å; W494-F502 HydrophobicContact CG-CZ 4.44Å; W494-F502 HydrophobicContact CH2-CD1 4.45Å; W494-F502 AromaticContact CH2-CE1 3.82Å; W494-F502 HydrophobicContact CH2-CE1 3.82Å; W494-F502 HydrophobicContact CZ2-CD1 4.21Å; W494-F502 AromaticContact CZ2-CE1 3.48Å; W494-F502 HydrophobicContact CZ2-CE1 3.48Å; W494-F502 VanDerWaalsContact CZ2-CE1 3.48Å; W494-F502 HydrophobicContact CZ2-CZ 4.45Å; W494-F502 HydrophobicContact CZ3-CE1 4.2Å; W494-F502 AromaticContact NE1-CE1 3.84Å; R500-F502 HydrophobicContact CB-CD2 4.21Å; R500-F502 HydrophobicContact CB-CE2 3.68Å; R500-F502 HydrophobicContact CB-CZ 4.03Å; F502-M514 HydrophobicContact CB-CE 3.49Å; F502-M514 VanDerWaalsContact CB-CE 3.49Å; F502-M514 HydrophobicContact CB-SD 4.11Å; F502-M514 HydrophobicContact CD1-CE 3.55Å; F502-M514 HydrophobicContact CD1-CG 4.02Å; F502-M514 HydrophobicContact CD1-SD 4.09Å; F502-M514 HydrophobicContact CD2-CE 4.46Å; F502-M514 HydrophobicContact CE1-CE 4.36Å; F502-M514 HydrophobicContact CG-CE 3.6Å; F502-M514 HydrophobicContact CG-SD 4.46Å; F502-C515 CarbonylContact C-O 3.54Å; F502-C515 VanDerWaalsContact CA-O 3.28Å; F502-C515 WeakPolarHBondContact CA-O 3.35Å; F502-F564 HydrophobicContact CE1-CE1 4.33Å; F502-F564 HydrophobicContact CZ-CE1 4.28Å; F502-W575 HydrophobicContact CB-CH2 3.68Å; F502-W575 HydrophobicContact CB-CZ2 3.97Å
503	C	94.7	Very high	90.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	121.9	172.3	-70.4	0	0	0	0	107.9	L354 L480 I505 C515 Y517	L354-C503 HydrophobicContact CD1-CB 4.34Å; L480-C503 HydrophobicContact CD1-CB 3.55Å; C503-I505 HydrophobicContact CB-CD1 4.18Å; C503-I505 HydrophobicContact CB-CG1 4.02Å; C503-C515 PolarHBondContact N-O 3.34Å; C503-C515 PolarHBondContact O-N 3Å; C503-Y517 HydrophobicContact CB-CD2 4.01Å; C503-Y517 HydrophobicContact CB-CE2 3.79Å
504	L	94.5	Very high	90.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	110.4	168.6	-178.6	64.1	0	0	0	108.4	K481 Y482 M514 V530 W575 A578 L579 A582	K481-L504 HydrophobicContact CB-CD2 4.3Å; K481-L504 HydrophobicContact CB-CG 4.34Å; K481-L504 PolarHBondContact N-O 3.39Å; Y482-L504 PolarHBondContact O-N 3.21Å; L504-M514 HydrophobicContact CB-SD 4.28Å; L504-M514 HydrophobicContact CD1-SD 4.45Å; L504-V530 HydrophobicContact CD1-CG2 4.4Å; L504-W575 HydrophobicContact CB-CZ3 4.1Å; L504-A578 HydrophobicContact CD2-CB 3.83Å; L504-L579 HydrophobicContact CD1-CD2 4.03Å; L504-L579 HydrophobicContact CD2-CD2 4.3Å; L504-A582 HydrophobicContact CD1-CB 3.95Å; L504-A582 HydrophobicContact CD2-CB 3.77Å; L504-A582 HydrophobicContact CG-CB 4.2Å
505	I	92.1	Very high	90.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.7	-171.3	-56.1	178.1	0	0	0	108.8	V352 L354 N479 L480 C503 F512 A513 C515 Y517	V352-I505 HydrophobicContact CB-CD1 4Å; V352-I505 WeakPolarHBondContact O-CD1 3.39Å; L354-I505 HydrophobicContact CD1-CD1 3.71Å; L354-I505 HydrophobicContact CD1-CG1 4.09Å; L354-I505 HydrophobicContact CD2-CD1 3.95Å; L354-I505 HydrophobicContact CD2-CG1 4.06Å; L354-I505 HydrophobicContact CD2-CG2 4Å; L354-I505 HydrophobicContact CG-CD1 3.76Å; L354-I505 HydrophobicContact CG-CG1 4.32Å; N479-I505 CarbonylContact O-C 3.48Å; N479-I505 WeakPolarHBondContact O-CA 3.28Å; L480-I505 HydrophobicContact CD1-CG1 4.29Å; C503-I505 HydrophobicContact CB-CD1 4.18Å; C503-I505 HydrophobicContact CB-CG1 4.02Å; I505-F512 CarbonylContact O-C 3.57Å; I505-F512 WeakPolarHBondContact O-CA 3.25Å; I505-A513 PolarHBondContact N-O 3.48Å; I505-A513 PolarHBondContact O-N 3.22Å; I505-C515 HydrophobicContact CD1-CB 4.05Å; I505-Y517 HydrophobicContact CD1-CE2 4.18Å; I505-Y517 WeakPolarHBondContact CD1-OH 3.27Å
506	Q	90.2	Very high	90.7	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.009	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	112.9	168.6	-175.5	-179.3	28.2	0	0	109	D237 V296 N479 K481 S508 F512	D237-Q506 PolarHBondContact OD1-OE1 3.48Å; V296-Q506 HydrophobicContact CG1-CG 4.35Å; V296-Q506 HydrophobicContact CG2-CG 4.06Å; N479-Q506 WeakPolarHBondContact CB-O 3.28Å; N479-Q506 PolarHBondContact O-N 2.94Å; K481-Q506 HydrophobicContact CD-CB 4.38Å; K481-Q506 VanDerWaalsContact CE-CB 3.45Å; K481-Q506 VanDerWaalsContact CE-CD 3.49Å; K481-Q506 HydrophobicContact CG-CB 4.05Å; Q506-S508 WeakPolarHBondContact CG-O 3.48Å; Q506-S508 PolarHBondContact NE2-O 3.33Å; Q506-F512 HydrophobicContact CB-CD1 3.82Å; Q506-F512 HydrophobicContact CB-CE1 3.52Å; Q506-F512 HydrophobicContact CB-CZ 4.03Å; Q506-F512 HydrophobicContact CG-CD1 4.12Å; Q506-F512 HydrophobicContact CG-CE1 3.58Å; Q506-F512 HydrophobicContact CG-CE2 4.03Å; Q506-F512 HydrophobicContact CG-CZ 3.53Å
507	V	86	Confident	90.7	Very high	43 Å²	43	20.4 Å²	20.4	26%	0.261	9%	0.092	S	C	.	.	S	Bend	trans	-86.3	-41.5	178.7	-176.5	0	0	0	0	110.3	L347 D351 V352 T511 A513	L347-V507 HydrophobicContact CD1-CG2 3.99Å; L347-V507 HydrophobicContact CD2-CB 4.28Å; L347-V507 HydrophobicContact CD2-CG1 3.79Å; L347-V507 HydrophobicContact CD2-CG2 4.15Å; D351-V507 HydrophobicContact CB-CG1 4.11Å; V352-V507 HydrophobicContact CG1-CG2 3.91Å; V507-T511 HydrophobicContact CB-CG2 4.44Å; V507-T511 PolarHBondContact N-O 3.01Å; V507-A513 HydrophobicContact CG2-CB 4.33Å
508	S	82.9	Confident	90.5	Very high	15 Å²	15	23.8 Å²	23.8	11%	0.105	11%	0.108	C	C	.	.	S	Bend	trans	-139.4	178.2	174.6	76.8	0	0	0	0	109.8	Q506 Y510 T511	Q506-S508 WeakPolarHBondContact CG-O 3.48Å; Q506-S508 PolarHBondContact NE2-O 3.33Å; S508-Y510 PolarHBondContact O-N 3.14Å; S508-Y510 PolarHBondContact OG-N 3.35Å; S508-Y510 VanDerWaalsContact OG-N 3.14Å; S508-T511 PolarHBondContact N-O 3.15Å; S508-T511 WeakPolarHBondContact OG-CB 3.43Å; S508-T511 PolarHBondContact OG-N 3.2Å; S508-T511 PolarHBondContact OG-OG1 3.29Å
509	Q	80.7	Confident	90.2	Very high	10 Å²	10	21.9 Å²	21.9	5%	0.047	10%	0.101	C	C	.	.	S	Bend	trans	-63.7	-19.2	172.7	-64.3	-66.2	-5.8	0	0	113	A240 R244 L291 V294 P295	A240-Q509 HydrophobicContact CB-CB 4.09Å; A240-Q509 WeakPolarHBondContact CB-O 3.08Å; R244-Q509 PolarHBondContact NE-O 3.24Å; L291-Q509 HydrophobicContact CD1-CB 3.63Å; L291-Q509 HydrophobicContact CD1-CG 4.41Å; L291-Q509 HydrophobicContact CG-CB 3.82Å; L291-Q509 WeakPolarHBondContact O-CB 3.43Å; V294-Q509 HydrophobicContact CB-CG 3.85Å; V294-Q509 HydrophobicContact CG1-CG 3.96Å; V294-Q509 WeakPolarHBondContact O-CG 3.27Å; P295-Q509 PolarHBondContact O-NE2 3.18Å; P295-Q509 VanDerWaalsContact O-NE2 3.09Å
510	Y	78.9	Confident	89.7	Confident	37 Å²	37	23.3 Å²	23.3	15%	0.145	10%	0.104	C	C	.	.	S	Bend	trans	-97	-47	177.9	-164.7	-93.6	0	0	0	112.6	R244 L247 I288 L291 S508	R244-Y510 VanDerWaalsContact CD-O 3.31Å; R244-Y510 WeakPolarHBondContact CD-O 3.28Å; R244-Y510 HydrophobicContact CG-CD2 3.49Å; R244-Y510 VanDerWaalsContact CG-CD2 3.49Å; R244-Y510 HydrophobicContact CG-CE2 3.63Å; R244-Y510 HydrophobicContact CG-CG 4.33Å; R244-Y510 PolarHBondContact NH1-O 3.02Å; R244-Y510 VanDerWaalsContact NH1-O 3.09Å; L247-Y510 HydrophobicContact CD1-CE2 4.05Å; I288-Y510 HydrophobicContact CB-CD2 4.47Å; I288-Y510 HydrophobicContact CB-CE2 4.38Å; I288-Y510 HydrophobicContact CD1-CE1 4.48Å; I288-Y510 HydrophobicContact CD1-CE2 4.11Å; I288-Y510 HydrophobicContact CG1-CD2 4.23Å; I288-Y510 HydrophobicContact CG1-CE2 3.68Å; I288-Y510 HydrophobicContact CG2-CD1 3.92Å; I288-Y510 HydrophobicContact CG2-CD2 3.94Å; I288-Y510 HydrophobicContact CG2-CE1 4.06Å; I288-Y510 HydrophobicContact CG2-CE2 4.07Å; I288-Y510 HydrophobicContact CG2-CG 3.86Å; L291-Y510 HydrophobicContact CD2-CD2 3.99Å; S508-Y510 PolarHBondContact O-N 3.14Å; S508-Y510 PolarHBondContact OG-N 3.35Å; S508-Y510 VanDerWaalsContact OG-N 3.14Å
511	T	85.2	Confident	89.1	Confident	7 Å²	7	26 Å²	26	4%	0.043	12%	0.118	C	C	.	.			trans	-97.7	129.1	-164.8	-50.6	0	0	0	0	112.3	L347 V507 S508 Q529	L347-T511 HydrophobicContact CD1-CG2 3.92Å; L347-T511 HydrophobicContact CD2-CG2 4.16Å; L347-T511 HydrophobicContact CG-CG2 4.26Å; V507-T511 HydrophobicContact CB-CG2 4.44Å; V507-T511 PolarHBondContact N-O 3.01Å; S508-T511 PolarHBondContact N-O 3.15Å; S508-T511 WeakPolarHBondContact OG-CB 3.43Å; S508-T511 PolarHBondContact OG-N 3.2Å; S508-T511 PolarHBondContact OG-OG1 3.29Å; T511-Q529 HydrophobicContact CG2-CG 4.42Å
512	F	90.6	Very high	88.6	Confident	4 Å²	4	27.6 Å²	27.6	2%	0.018	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	145.8	175.5	-69.6	-109.1	0	0	0	110.5	R244 K481 I505 Q506 Q529 V530 A582	R244-F512 VanDerWaalsContact NH1-CE2 3.25Å; K481-F512 HydrophobicContact CG-CD1 4.44Å; K481-F512 HydrophobicContact CG-CE1 3.97Å; I505-F512 CarbonylContact O-C 3.57Å; I505-F512 WeakPolarHBondContact O-CA 3.25Å; Q506-F512 HydrophobicContact CB-CD1 3.82Å; Q506-F512 HydrophobicContact CB-CE1 3.52Å; Q506-F512 HydrophobicContact CB-CZ 4.03Å; Q506-F512 HydrophobicContact CG-CD1 4.12Å; Q506-F512 HydrophobicContact CG-CE1 3.58Å; Q506-F512 HydrophobicContact CG-CE2 4.03Å; Q506-F512 HydrophobicContact CG-CZ 3.53Å; F512-Q529 WeakPolarHBondContact O-CA 3.43Å; F512-V530 HydrophobicContact CB-CG2 3.4Å; F512-V530 PolarHBondContact O-N 3.08Å; F512-A582 HydrophobicContact CB-CB 3.94Å; F512-A582 HydrophobicContact CD1-CB 3.45Å; F512-A582 VanDerWaalsContact CD1-CB 3.45Å; F512-A582 HydrophobicContact CD2-CB 4.35Å; F512-A582 WeakPolarHBondContact CD2-O 3.29Å; F512-A582 HydrophobicContact CE1-CB 3.97Å; F512-A582 HydrophobicContact CG-CB 3.66Å
513	A	92	Very high	88.2	Confident	0 Å²	0	32 Å²	32	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	133.5	177.4	0	0	0	0	0	110.7	L347 V352 I505 V507 M528	L347-A513 HydrophobicContact CD1-CB 3.85Å; V352-A513 HydrophobicContact CG1-CB 3.77Å; I505-A513 PolarHBondContact N-O 3.48Å; I505-A513 PolarHBondContact O-N 3.22Å; V507-A513 HydrophobicContact CG2-CB 4.33Å; A513-M528 CarbonylContact C-O 3.54Å; A513-M528 VanDerWaalsContact CA-O 3.25Å; A513-M528 WeakPolarHBondContact CA-O 3.3Å
514	M	94.3	Very high	87.9	Confident	1 Å²	1	32 Å²	32	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	113.9	168.4	-174.5	63	158.7	0	0	108.2	W494 F502 L504 F527 M528 V530 F564 W575	W494-M514 HydrophobicContact CH2-CB 4.04Å; W494-M514 HydrophobicContact CH2-CG 3.69Å; W494-M514 HydrophobicContact CZ2-CG 4.49Å; W494-M514 HydrophobicContact CZ3-CG 4.37Å; F502-M514 HydrophobicContact CB-CE 3.49Å; F502-M514 VanDerWaalsContact CB-CE 3.49Å; F502-M514 HydrophobicContact CB-SD 4.11Å; F502-M514 HydrophobicContact CD1-CE 3.55Å; F502-M514 HydrophobicContact CD1-CG 4.02Å; F502-M514 HydrophobicContact CD1-SD 4.09Å; F502-M514 HydrophobicContact CD2-CE 4.46Å; F502-M514 HydrophobicContact CE1-CE 4.36Å; F502-M514 HydrophobicContact CG-CE 3.6Å; F502-M514 HydrophobicContact CG-SD 4.46Å; L504-M514 HydrophobicContact CB-SD 4.28Å; L504-M514 HydrophobicContact CD1-SD 4.45Å; M514-F527 CarbonylContact O-C 3.57Å; M514-F527 VanDerWaalsContact O-CA 3.26Å; M514-F527 WeakPolarHBondContact O-CA 3.49Å; M514-M528 HydrophobicContact CB-CG 4.09Å; M514-M528 PolarHBondContact N-O 2.93Å; M514-M528 PolarHBondContact O-N 2.84Å; M514-V530 HydrophobicContact CB-CG1 3.65Å; M514-F564 HydrophobicContact CE-CE1 4.02Å; M514-F564 HydrophobicContact CE-CZ 4.46Å; M514-W575 HydrophobicContact CE-CE3 3.94Å; M514-W575 HydrophobicContact CE-CH2 3.78Å; M514-W575 HydrophobicContact CE-CZ3 3.42Å; M514-W575 VanDerWaalsContact CE-CZ3 3.42Å; M514-W575 HydrophobicContact SD-CH2 4.25Å; M514-W575 HydrophobicContact SD-CZ3 3.8Å
515	C	94.5	Very high	87.7	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	138.9	-170.1	-61.9	0	0	0	0	110.3	F502 C503 I505 Y517 P524 F527	F502-C515 CarbonylContact C-O 3.54Å; F502-C515 VanDerWaalsContact CA-O 3.28Å; F502-C515 WeakPolarHBondContact CA-O 3.35Å; C503-C515 PolarHBondContact N-O 3.34Å; C503-C515 PolarHBondContact O-N 3Å; I505-C515 HydrophobicContact CD1-CB 4.05Å; C515-Y517 HydrophobicContact CB-CD2 4.25Å; C515-Y517 HydrophobicContact CB-CE2 3.48Å; C515-Y517 VanDerWaalsContact CB-CE2 3.48Å; C515-P524 HydrophobicContact CB-CB 4.01Å; C515-F527 HydrophobicContact CB-CB 4.08Å; C515-F527 VanDerWaalsContact SG-CB 3.56Å
516	S	93.5	Very high	87.6	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	133.4	173.6	64.9	0	0	0	0	111.1	W494 F501 P524 T525 E526	W494-S516 PolarHBondContact NE1-OG 3.46Å; F501-S516 CarbonylContact O-C 3.53Å; F501-S516 VanDerWaalsContact O-CA 3.31Å; F501-S516 WeakPolarHBondContact O-CA 3.46Å; S516-P524 CarbonylContact O-C 3.58Å; S516-P524 WeakPolarHBondContact O-CA 3.48Å; S516-T525 PolarHBondContact O-N 3.44Å; S516-E526 PolarHBondContact N-O 3.31Å; S516-E526 WeakPolarHBondContact OG-CB 3.46Å; S516-E526 PolarHBondContact OG-N 3.12Å; S516-E526 PolarHBondContact OG-O 2.92Å
517	Y	91.2	Very high	87.6	Confident	8 Å²	8	39.8 Å²	39.8	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	147.6	-176.5	-71	-91.4	0	0	0	111.9	V352 P412 F501 C503 I505 C515 S522 E523 P524	V352-Y517 PolarHBondContact O-OH 3.36Å; P412-Y517 HydrophobicContact CB-CD2 4.48Å; P412-Y517 HydrophobicContact CB-CG 4.29Å; P412-Y517 HydrophobicContact CG-CD1 3.58Å; P412-Y517 HydrophobicContact CG-CD2 4.07Å; P412-Y517 HydrophobicContact CG-CE1 3.67Å; P412-Y517 HydrophobicContact CG-CE2 4.16Å; P412-Y517 HydrophobicContact CG-CG 3.78Å; F501-Y517 PolarHBondContact O-N 3.41Å; C503-Y517 HydrophobicContact CB-CD2 4.01Å; C503-Y517 HydrophobicContact CB-CE2 3.79Å; I505-Y517 HydrophobicContact CD1-CE2 4.18Å; I505-Y517 WeakPolarHBondContact CD1-OH 3.27Å; C515-Y517 HydrophobicContact CB-CD2 4.25Å; C515-Y517 HydrophobicContact CB-CE2 3.48Å; C515-Y517 VanDerWaalsContact CB-CE2 3.48Å; Y517-S522 WeakPolarHBondContact CE1-O 3.4Å; Y517-E523 VanDerWaalsContact CE1-C 3.49Å; Y517-P524 HydrophobicContact CD1-CB 4.49Å; Y517-P524 HydrophobicContact CE1-CB 4Å; Y517-P524 VanDerWaalsContact CE1-N 3.3Å; Y517-P524 HydrophobicContact CE2-CB 4.22Å
518	K	89.6	Confident	87.8	Confident	114 Å²	114	38.5 Å²	38.5	50%	0.496	18%	0.181	S	C	.	.			trans	-100.4	160.5	167.1	-74.9	174.8	-177.5	171.5	0	109.4	R520 T525	K518-R520 PolarHBondContact O-N 3.32Å; K518-T525 HydrophobicContact CD-CG2 4.28Å; K518-T525 WeakPolarHBondContact CG-OG1 3.39Å
519	E	85.2	Confident	88	Confident	87 Å²	87	39.9 Å²	39.9	41%	0.407	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	139.6	171	-63.7	-175.3	-170.2	0	0	110	L413 R441 H521	L413-E519 HydrophobicContact CD1-CG 4.34Å; R441-E519 IonicContact NE-OE1 2.81Å; R441-E519 IonicContact NE-OE2 2.86Å; R441-E519 PolarHBondContact NE-OE2 2.83Å; R441-E519 VanDerWaalsContact NE-OE2 3.12Å; E519-H521 VanDerWaalsContact C-N 3.29Å; E519-H521 PolarHBondContact O-N 2.91Å; E519-H521 PolarHBondContact O-ND1 2.9Å
520	R	81.9	Confident	88.4	Confident	121 Å²	121	39.6 Å²	39.6	46%	0.457	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	25.3	174.1	-45.7	174.2	158.6	-179.1	-5.5	115.4	E384 L413 M415 K518	E384-R520 VanDerWaalsContact CD-NE 3.29Å; E384-R520 WeakPolarHBondContact OE1-CD 3.24Å; E384-R520 IonicContact OE1-CZ 3.88Å; E384-R520 IonicContact OE1-NE 2.77Å; E384-R520 PolarHBondContact OE1-NE 2.75Å; E384-R520 VanDerWaalsContact OE1-NE 3.09Å; E384-R520 IonicContact OE1-NH1 2.67Å; E384-R520 IonicContact OE1-NH2 2.82Å; E384-R520 VanDerWaalsContact OE2-CD 3.26Å; E384-R520 WeakPolarHBondContact OE2-CD 3.36Å; E384-R520 VanDerWaalsContact OE2-CG 3.25Å; E384-R520 WeakPolarHBondContact OE2-CG 3.18Å; E384-R520 IonicContact OE2-CZ 3.78Å; E384-R520 IonicContact OE2-NE 2.7Å; E384-R520 PolarHBondContact OE2-NE 2.86Å; E384-R520 IonicContact OE2-NH2 3.88Å; L413-R520 PolarHBondContact O-N 3.15Å; M415-R520 HydrophobicContact CE-CG 4.49Å; M415-R520 VanDerWaalsContact CE-NH2 3.27Å; M415-R520 PolarHBondContact SD-NH2 3.41Å; K518-R520 PolarHBondContact O-N 3.32Å
521	H	83.6	Confident	88.5	Confident	91 Å²	91	39.7 Å²	39.7	42%	0.421	19%	0.188	S	C	.	.			trans	-123.1	133.1	176.4	-68.1	18.7	0	0	0	109.7	P412 E519	P412-H521 WeakPolarHBondContact CD-O 3.36Å; E519-H521 VanDerWaalsContact C-N 3.29Å; E519-H521 PolarHBondContact O-N 2.91Å; E519-H521 PolarHBondContact O-ND1 2.9Å
522	S	83.9	Confident	88.3	Confident	36 Å²	36	42 Å²	42	25%	0.252	21%	0.213	S	C	.	.	S	Bend	trans	-83.8	-30.9	174.7	50.2	0	0	0	0	112.3	H411 Y517	H411-S522 PolarHBondContact CD2-N 3.46Å; Y517-S522 WeakPolarHBondContact CE1-O 3.4Å
523	E	85.9	Confident	88.2	Confident	92 Å²	92	42 Å²	42	43%	0.43	21%	0.213	S	C	.	.	S	Bend	trans	-88.5	144.9	175.8	-67.2	-172.8	177.1	0	0	111.5	K349 Y517	K349-E523 HydrophobicContact CD-CB 4.3Å; K349-E523 HydrophobicContact CD-CG 4.41Å; K349-E523 WeakPolarHBondContact CD-OE2 3.38Å; K349-E523 IonicContact NZ-OE2 3.09Å; K349-E523 PolarHBondContact NZ-OE2 3.28Å; Y517-E523 VanDerWaalsContact CE1-C 3.49Å
524	P	89.2	Confident	88	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.006	23%	0.232	C	C	.	.			trans	-64.7	141.9	171.6	29.8	-35.9	0	0	0	110.4	K349 V352 C515 S516 Y517 F527	K349-P524 HydrophobicContact CG-CG 4.46Å; V352-P524 HydrophobicContact CG2-CG 3.73Å; C515-P524 HydrophobicContact CB-CB 4.01Å; S516-P524 CarbonylContact O-C 3.58Å; S516-P524 WeakPolarHBondContact O-CA 3.48Å; Y517-P524 HydrophobicContact CD1-CB 4.49Å; Y517-P524 HydrophobicContact CE1-CB 4Å; Y517-P524 VanDerWaalsContact CE1-N 3.3Å; Y517-P524 HydrophobicContact CE2-CB 4.22Å; P524-F527 HydrophobicContact CB-CB 4.25Å; P524-F527 HydrophobicContact CG-CB 4.32Å; P524-F527 HydrophobicContact CG-CD1 3.94Å; P524-F527 HydrophobicContact CG-CG 4.37Å
525	T	89.2	Confident	88	Confident	53 Å²	53	45.1 Å²	45.1	33%	0.325	23%	0.232	S	C	.	.	S	Bend	trans	-68.9	-46	173.3	-54.5	0	0	0	0	110.2	S516 K518	S516-T525 PolarHBondContact O-N 3.44Å; K518-T525 HydrophobicContact CD-CG2 4.28Å; K518-T525 WeakPolarHBondContact CG-OG1 3.39Å
526	E	89.9	Confident	87.9	Confident	59 Å²	59	47.9 Å²	47.9	28%	0.276	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	138.8	-179.5	-56.6	164.3	127.1	0	0	106.5	V493 R500 S516	V493-E526 HydrophobicContact CG1-CB 3.74Å; R500-E526 IonicContact CZ-OE2 3.74Å; R500-E526 IonicContact NE-OE2 3.22Å; R500-E526 PolarHBondContact NE-OE2 3.3Å; R500-E526 VanDerWaalsContact NE-OE2 3.08Å; R500-E526 IonicContact NH2-OE2 3.38Å; S516-E526 PolarHBondContact N-O 3.31Å; S516-E526 WeakPolarHBondContact OG-CB 3.46Å; S516-E526 PolarHBondContact OG-N 3.12Å; S516-E526 PolarHBondContact OG-O 2.92Å
527	F	90.9	Very high	88	Confident	53 Å²	53	48.9 Å²	48.9	23%	0.232	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	163.3	175	76.4	-82.5	0	0	0	111.4	L347 K349 M514 C515 P524	L347-F527 HydrophobicContact CB-CE2 3.87Å; L347-F527 HydrophobicContact CB-CZ 4.46Å; L347-F527 WeakPolarHBondContact O-CZ 3.24Å; K349-F527 HydrophobicContact CG-CE1 4.02Å; M514-F527 CarbonylContact O-C 3.57Å; M514-F527 VanDerWaalsContact O-CA 3.26Å; M514-F527 WeakPolarHBondContact O-CA 3.49Å; C515-F527 HydrophobicContact CB-CB 4.08Å; C515-F527 VanDerWaalsContact SG-CB 3.56Å; P524-F527 HydrophobicContact CB-CB 4.25Å; P524-F527 HydrophobicContact CG-CB 4.32Å; P524-F527 HydrophobicContact CG-CD1 3.94Å; P524-F527 HydrophobicContact CG-CG 4.37Å
528	M	89.9	Confident	87.9	Confident	17 Å²	17	49.6 Å²	49.6	8%	0.084	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	152.7	173.4	64.2	-178.1	-75.3	0	0	110.6	V493 W494 A513 M514 F533 I562	V493-M528 HydrophobicContact CG2-CB 4.14Å; W494-M528 HydrophobicContact CE3-SD 4.23Å; W494-M528 HydrophobicContact CH2-CG 3.55Å; W494-M528 HydrophobicContact CH2-SD 3.51Å; W494-M528 VanDerWaalsContact CH2-SD 3.51Å; W494-M528 HydrophobicContact CZ2-CG 4.45Å; W494-M528 HydrophobicContact CZ3-CG 3.96Å; W494-M528 HydrophobicContact CZ3-SD 3.23Å; W494-M528 WeakPolarHBondContact CZ3-SD 3.49Å; A513-M528 CarbonylContact C-O 3.54Å; A513-M528 VanDerWaalsContact CA-O 3.25Å; A513-M528 WeakPolarHBondContact CA-O 3.3Å; M514-M528 HydrophobicContact CB-CG 4.09Å; M514-M528 PolarHBondContact N-O 2.93Å; M514-M528 PolarHBondContact O-N 2.84Å; M528-F533 HydrophobicContact CE-CD1 4.39Å; M528-F533 HydrophobicContact CE-CD2 3.82Å; M528-F533 HydrophobicContact CE-CE1 3.83Å; M528-F533 HydrophobicContact CE-CE2 3.15Å; M528-F533 HydrophobicContact CE-CG 4.4Å; M528-F533 HydrophobicContact CE-CZ 3.17Å; M528-I562 HydrophobicContact CE-CD1 3.43Å; M528-I562 VanDerWaalsContact CE-CD1 3.43Å; M528-I562 HydrophobicContact SD-CD1 3.26Å; M528-I562 WeakPolarHBondContact SD-CD1 3.3Å
529	Q	88.7	Confident	87.8	Confident	43 Å²	43	52.6 Å²	52.6	20%	0.201	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	141.1	161.9	-74.8	166.8	-45.6	0	0	109.5	V345 L347 T511 F512	V345-Q529 PolarHBondContact O-NE2 3.36Å; L347-Q529 HydrophobicContact CD1-CG 3.45Å; L347-Q529 VanDerWaalsContact CD1-CG 3.45Å; L347-Q529 HydrophobicContact CG-CG 3.98Å; T511-Q529 HydrophobicContact CG2-CG 4.42Å; F512-Q529 WeakPolarHBondContact O-CA 3.43Å
530	V	88.2	Confident	87.8	Confident	5 Å²	5	51.9 Å²	51.9	3%	0.03	28%	0.276	C	S	.	.			trans	-97.1	4.5	175.5	-61.6	0	0	0	0	112.6	L504 F512 M514 G532 F533 L579 A582	L504-V530 HydrophobicContact CD1-CG2 4.4Å; F512-V530 HydrophobicContact CB-CG2 3.4Å; F512-V530 PolarHBondContact O-N 3.08Å; M514-V530 HydrophobicContact CB-CG1 3.65Å; V530-G532 PolarHBondContact O-N 2.8Å; V530-F533 WeakPolarHBondContact O-CB 3.49Å; V530-F533 PolarHBondContact O-N 3.06Å; V530-F533 VanDerWaalsContact O-N 3.17Å; V530-L579 HydrophobicContact CG1-CD2 4.28Å; V530-A582 HydrophobicContact CG2-CB 4.2Å
531	D	80.5	Confident	88.1	Confident	39 Å²	39	47.5 Å²	47.5	21%	0.209	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	132.4	178.7	-54.6	-35.3	0	0	0	110.1	F533	D531-F533 VanDerWaalsContact C-N 3.26Å; D531-F533 PolarHBondContact O-N 2.65Å
532	G	80.5	Confident	88.2	Confident	55 Å²	55	48.2 Å²	48.2	57%	0.567	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	-1.5	-177.4	0	0	0	0	0	115.9	V530	V530-G532 PolarHBondContact O-N 2.8Å
533	F	89.2	Confident	88.3	Confident	4 Å²	4	54.3 Å²	54.3	2%	0.018	30%	0.299	C	S	.	.			trans	-79.8	153.8	171.2	-77.5	-96.1	0	0	0	111.6	M528 V530 D531 A555 L556 R557 E560 I562 T583	M528-F533 HydrophobicContact CE-CD1 4.39Å; M528-F533 HydrophobicContact CE-CD2 3.82Å; M528-F533 HydrophobicContact CE-CE1 3.83Å; M528-F533 HydrophobicContact CE-CE2 3.15Å; M528-F533 HydrophobicContact CE-CG 4.4Å; M528-F533 HydrophobicContact CE-CZ 3.17Å; V530-F533 WeakPolarHBondContact O-CB 3.49Å; V530-F533 PolarHBondContact O-N 3.06Å; V530-F533 VanDerWaalsContact O-N 3.17Å; D531-F533 VanDerWaalsContact C-N 3.26Å; D531-F533 PolarHBondContact O-N 2.65Å; F533-A555 HydrophobicContact CB-CB 4.44Å; F533-A555 HydrophobicContact CD1-CB 3.85Å; F533-A555 HydrophobicContact CG-CB 4.48Å; F533-L556 CarbonylContact C-O 3.49Å; F533-L556 VanDerWaalsContact CA-O 3.24Å; F533-L556 WeakPolarHBondContact CA-O 3.28Å; F533-R557 HydrophobicContact CD1-CB 3.71Å; F533-R557 HydrophobicContact CD2-CB 4.15Å; F533-R557 HydrophobicContact CE1-CB 3.61Å; F533-R557 HydrophobicContact CE2-CB 4.06Å; F533-R557 HydrophobicContact CE2-CG 4.48Å; F533-R557 HydrophobicContact CG-CB 3.99Å; F533-R557 HydrophobicContact CZ-CB 3.78Å; F533-E560 HydrophobicContact CE1-CG 4.29Å; F533-E560 HydrophobicContact CZ-CG 4.28Å; F533-I562 HydrophobicContact CE1-CD1 3.95Å; F533-I562 HydrophobicContact CE1-CG1 4.27Å; F533-I562 HydrophobicContact CZ-CD1 4.18Å; F533-T583 HydrophobicContact CB-CG2 4.08Å; F533-T583 WeakPolarHBondContact O-CB 3.34Å; F533-T583 VanDerWaalsContact O-CG2 3.24Å; F533-T583 WeakPolarHBondContact O-CG2 3.29Å
534	T	89.2	Confident	88.4	Confident	65 Å²	65	51 Å²	51	40%	0.399	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131.6	164.1	60.7	0	0	0	0	109.4	A555 L556 Q585	T534-A555 CarbonylContact O-C 3.36Å; T534-A555 VanDerWaalsContact O-CA 3.3Å; T534-A555 WeakPolarHBondContact O-CA 3.48Å; T534-L556 PolarHBondContact N-O 2.97Å; T534-L556 PolarHBondContact O-N 3.4Å; T534-L556 PolarHBondContact OG1-O 3.2Å; T534-Q585 VanDerWaalsContact CA-OE1 3.28Å; T534-Q585 HydrophobicContact CG2-CB 3.99Å
535	V	93.5	Very high	88.2	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	139.8	173.7	65.1	0	0	0	0	110.9	F553 S554 V576 L579 Q585 P589	V535-F553 HydrophobicContact CG2-CD2 4.1Å; V535-S554 CarbonylContact C-O 3.53Å; V535-S554 VanDerWaalsContact CA-O 3.24Å; V535-S554 WeakPolarHBondContact CA-O 3.48Å; V535-V576 HydrophobicContact CG1-CG1 4.5Å; V535-V576 HydrophobicContact CG2-CG1 4.34Å; V535-V576 HydrophobicContact CG2-CG2 4.28Å; V535-L579 HydrophobicContact CB-CB 3.97Å; V535-L579 HydrophobicContact CG1-CB 3.79Å; V535-L579 HydrophobicContact CG2-CB 4.04Å; V535-L579 HydrophobicContact CG2-CD1 4.07Å; V535-Q585 PolarHBondContact O-NE2 3Å; V535-Q585 PolarHBondContact O-OE1 2.9Å; V535-P589 HydrophobicContact CG1-CG 4.1Å; V535-P589 VanDerWaalsContact O-CG 3.27Å; V535-P589 WeakPolarHBondContact O-CG 3.44Å
536	D	93.2	Very high	87.9	Confident	58 Å²	58	57.2 Å²	57.2	31%	0.31	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	163.8	165.5	-147.7	-16	0	0	0	111.3	F553 S554	D536-F553 CarbonylContact O-C 3.3Å; D536-F553 WeakPolarHBondContact O-CA 3.29Å; D536-F553 WeakPolarHBondContact O-CB 3.18Å; D536-S554 PolarHBondContact N-O 3.03Å; D536-S554 PolarHBondContact O-N 3.09Å
537	Y	93.7	Very high	87.6	Confident	25 Å²	25	56.5 Å²	56.5	10%	0.098	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	136.9	169.3	-61.2	-89.4	0	0	0	109.2	R572 H573 V576 P589 I590 P591	Y537-R572 HydrophobicContact CD1-CG 4.3Å; Y537-R572 HydrophobicContact CE1-CG 4.31Å; Y537-H573 AromaticContact CZ-ND1 3.98Å; Y537-H573 PolarHBondContact OH-CE1 3.01Å; Y537-H573 PolarHBondContact OH-ND1 3Å; Y537-V576 HydrophobicContact CD1-CG2 4.17Å; Y537-V576 HydrophobicContact CD2-CG1 4.33Å; Y537-V576 HydrophobicContact CE1-CB 4.2Å; Y537-V576 HydrophobicContact CE1-CG1 4.3Å; Y537-V576 HydrophobicContact CE1-CG2 3.92Å; Y537-V576 HydrophobicContact CE2-CG1 3.75Å; Y537-P589 HydrophobicContact CD2-CB 3.95Å; Y537-P589 HydrophobicContact CE2-CB 3.69Å; Y537-I590 VanDerWaalsContact CD2-O 3.22Å; Y537-I590 WeakPolarHBondContact CD2-O 3.4Å; Y537-P591 HydrophobicContact CE1-CB 4.48Å; Y537-P591 HydrophobicContact CE2-CB 4.22Å; Y537-P591 HydrophobicContact CE2-CG 4.08Å
538	A	90.7	Very high	87.3	Confident	23 Å²	23	55 Å²	55	19%	0.19	33%	0.331	C	S	.	.			trans	-116.1	149.2	179.6	0	0	0	0	0	109.9	F552	A538-F552 HydrophobicContact CB-CB 4.06Å; A538-F552 PolarHBondContact N-O 3.29Å; A538-F552 VanDerWaalsContact N-O 3.17Å
539	E	87	Confident	87.2	Confident	177 Å²	177	54.2 Å²	54.2	83%	0.827	33%	0.328	S	S	*	.			trans	-67.9	147.4	171.6	-65.5	-169.6	167.6	0	0	110.5	D541	E539-D541 PolarHBondContact O-N 3.19Å
540	P	85.2	Confident	87.2	Confident	71 Å²	71	57.9 Å²	57.9	46%	0.461	35%	0.345	S	S	.	.			trans	-60.3	125.3	177.4	-22.1	33.3	0	0	0	111.9	P542 L545 F552	P540-P542 WeakPolarHBondContact O-CD 3.48Å; P540-L545 HydrophobicContact CB-CD1 4.01Å; P540-L545 HydrophobicContact CB-CD2 4.35Å; P540-L545 HydrophobicContact CB-CG 4.43Å; P540-F552 HydrophobicContact CB-CD2 4Å; P540-F552 HydrophobicContact CB-CE2 4.23Å
541	D	87.5	Confident	87.4	Confident	30 Å²	30	61.5 Å²	61.5	16%	0.16	36%	0.359	C	S	.	.			trans	-83	113.6	178.4	-170.5	-33.1	0	0	0	109.9	E539 E543 L544 L545 F552 K563	E539-D541 PolarHBondContact O-N 3.19Å; D541-E543 PolarHBondContact O-N 3.3Å; D541-E543 PolarHBondContact OD1-N 3.09Å; D541-L544 HydrophobicContact CB-CB 4.14Å; D541-L544 HydrophobicContact CB-CD1 4.03Å; D541-L544 HydrophobicContact CB-CG 4.14Å; D541-L544 PolarHBondContact O-N 3.48Å; D541-L544 VanDerWaalsContact O-N 3.14Å; D541-L545 WeakPolarHBondContact O-CG 3.3Å; D541-L545 PolarHBondContact O-N 3.47Å; D541-F552 HydrophobicContact CB-CD1 4.46Å; D541-F552 HydrophobicContact CB-CE1 4.03Å; D541-F552 HydrophobicContact CB-CZ 4.38Å; D541-K563 IonicContact OD2-NZ 3.17Å; D541-K563 PolarHBondContact OD2-NZ 3.01Å
542	P	86.2	Confident	88	Confident	106 Å²	106	59.8 Å²	59.8	69%	0.688	35%	0.35	S	S	*	.	H	α-helix	trans	-58.6	-32.9	-174.2	-23.4	33.8	0	0	0	114	P540	P540-P542 WeakPolarHBondContact O-CD 3.48Å
543	E	86	Confident	88.8	Confident	163 Å²	163	57.1 Å²	57.1	76%	0.762	32%	0.323	S	S	*	.	H	α-helix	trans	-71.6	-38.5	-179.2	-63.3	-174.1	175.6	0	0	111.1	D541 S546	D541-E543 PolarHBondContact O-N 3.3Å; D541-E543 PolarHBondContact OD1-N 3.09Å; E543-S546 PolarHBondContact O-OG 2.9Å
544	L	88.6	Confident	89	Confident	23 Å²	23	57.4 Å²	57.4	12%	0.12	33%	0.325	C	S	.	.	H	α-helix	trans	-82.5	-26	-176.9	-60.3	-179.8	0	0	0	113.5	L489 W497 D541 S546 G547 F552 K563	L489-L544 HydrophobicContact CD2-CD1 4.2Å; L489-L544 HydrophobicContact CD2-CD2 4.11Å; W497-L544 HydrophobicContact CB-CD2 4.1Å; W497-L544 HydrophobicContact CD2-CB 4.37Å; W497-L544 HydrophobicContact CD2-CD1 4.33Å; W497-L544 HydrophobicContact CD2-CD2 4.21Å; W497-L544 HydrophobicContact CE3-CD1 4.26Å; W497-L544 HydrophobicContact CG-CD2 3.95Å; W497-L544 HydrophobicContact CH2-CD1 4.47Å; W497-L544 HydrophobicContact CZ2-CB 4.18Å; W497-L544 HydrophobicContact CZ3-CD1 4.32Å; W497-L544 PolarHBondContact NE1-O 2.82Å; D541-L544 HydrophobicContact CB-CB 4.14Å; D541-L544 HydrophobicContact CB-CD1 4.03Å; D541-L544 HydrophobicContact CB-CG 4.14Å; D541-L544 PolarHBondContact O-N 3.48Å; D541-L544 VanDerWaalsContact O-N 3.14Å; L544-S546 PolarHBondContact O-N 3.26Å; L544-G547 PolarHBondContact O-N 3.21Å; L544-F552 HydrophobicContact CB-CE1 3.96Å; L544-F552 HydrophobicContact CB-CZ 3.98Å; L544-F552 HydrophobicContact CD1-CE1 4.1Å; L544-K563 HydrophobicContact CD1-CD 4.14Å
545	L	84.6	Confident	89.2	Confident	71 Å²	71	54.7 Å²	54.7	37%	0.372	31%	0.309	S	S	.	.	H	α-helix	trans	-52.9	-37.6	176.8	-81.3	165.2	0	0	0	112.3	P540 D541 G547 G548 G549 F552	P540-L545 HydrophobicContact CB-CD1 4.01Å; P540-L545 HydrophobicContact CB-CD2 4.35Å; P540-L545 HydrophobicContact CB-CG 4.43Å; D541-L545 WeakPolarHBondContact O-CG 3.3Å; D541-L545 PolarHBondContact O-N 3.47Å; L545-G547 PolarHBondContact O-N 2.9Å; L545-G548 PolarHBondContact O-N 3.3Å; L545-G548 VanDerWaalsContact O-N 3.15Å; L545-G549 WeakPolarHBondContact CD2-O 3.48Å; L545-F552 HydrophobicContact CD2-CE2 3.86Å; L545-F552 HydrophobicContact CG-CE2 4.16Å; L545-F552 HydrophobicContact CG-CZ 4.48Å
546	S	83.6	Confident	89	Confident	114 Å²	114	58 Å²	58	80%	0.797	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-28.2	177.3	69.7	0	0	0	0	113.5	E543 L544	E543-S546 PolarHBondContact O-OG 2.9Å; L544-S546 PolarHBondContact O-N 3.26Å
547	G	82.5	Confident	88.8	Confident	44 Å²	44	60.1 Å²	60.1	45%	0.454	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-4	178.6	0	0	0	0	0	114.8	Y487 L544 L545	Y487-G547 VanDerWaalsContact CE1-O 3.26Å; Y487-G547 WeakPolarHBondContact CE1-O 3.43Å; L544-G547 PolarHBondContact O-N 3.21Å; L545-G547 PolarHBondContact O-N 2.9Å
548	G	85.7	Confident	88	Confident	20 Å²	20	68.3 Å²	68.3	21%	0.206	37%	0.369	C	S	.	.	S	Bend	trans	102.8	163.2	-178.7	0	0	0	0	0	114.3	W497 L545	W497-G548 WeakPolarHBondContact CZ2-O 3.47Å; W497-G548 PolarHBondContact NE1-O 2.96Å; L545-G548 PolarHBondContact O-N 3.3Å; L545-G548 VanDerWaalsContact O-N 3.15Å
549	G	86.1	Confident	87.5	Confident	2 Å²	2	70.6 Å²	70.6	2%	0.021	40%	0.395	C	S	.	.			trans	85.6	127.3	-166.5	0	0	0	0	0	111.2	L545 N567	L545-G549 WeakPolarHBondContact CD2-O 3.48Å; G549-N567 WeakPolarHBondContact CA-OD1 3.34Å; G549-N567 PolarHBondContact N-OD1 3.31Å
550	Q	89.2	Confident	87.5	Confident	119 Å²	119	63 Å²	63	56%	0.556	36%	0.359	S	S	*	.	S	Bend	trans	-110.3	-34.1	-179	-69.3	-159.4	-20.6	0	0	112.8	T566	Q550-T566 PolarHBondContact N-O 2.92Å
551	Y	92.3	Very high	87.8	Confident	82 Å²	82	63.5 Å²	63.5	32%	0.322	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	109.2	-172.9	-59.6	-78.9	0	0	0	109.6	A565 T566 N567 D569	Y551-A565 VanDerWaalsContact O-CA 3.25Å; Y551-A565 WeakPolarHBondContact O-CA 3.14Å; Y551-T566 PolarHBondContact N-O 3.43Å; Y551-T566 PolarHBondContact O-N 3.44Å; Y551-N567 WeakPolarHBondContact CE2-O 3.39Å; Y551-D569 HydrophobicContact CD1-CB 3.8Å; Y551-D569 HydrophobicContact CD2-CB 4.13Å; Y551-D569 HydrophobicContact CE1-CB 3.77Å; Y551-D569 HydrophobicContact CE2-CB 4.11Å; Y551-D569 HydrophobicContact CG-CB 3.98Å
552	F	94.2	Very high	88.1	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.009	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	148.8	-171.5	-72.4	-109.7	0	0	0	112.5	W497 A538 P540 D541 L544 L545 F564 A565 R572	W497-F552 HydrophobicContact CH2-CD1 4.11Å; W497-F552 AromaticContact CH2-CE1 3.52Å; W497-F552 HydrophobicContact CH2-CE1 3.52Å; W497-F552 HydrophobicContact CH2-CZ 4.19Å; W497-F552 AromaticContact CZ2-CE1 3.63Å; W497-F552 HydrophobicContact CZ2-CE1 3.63Å; W497-F552 AromaticContact CZ2-CZ 3.84Å; W497-F552 HydrophobicContact CZ2-CZ 3.84Å; A538-F552 HydrophobicContact CB-CB 4.06Å; A538-F552 PolarHBondContact N-O 3.29Å; A538-F552 VanDerWaalsContact N-O 3.17Å; P540-F552 HydrophobicContact CB-CD2 4Å; P540-F552 HydrophobicContact CB-CE2 4.23Å; D541-F552 HydrophobicContact CB-CD1 4.46Å; D541-F552 HydrophobicContact CB-CE1 4.03Å; D541-F552 HydrophobicContact CB-CZ 4.38Å; L544-F552 HydrophobicContact CB-CE1 3.96Å; L544-F552 HydrophobicContact CB-CZ 3.98Å; L544-F552 HydrophobicContact CD1-CE1 4.1Å; L545-F552 HydrophobicContact CD2-CE2 3.86Å; L545-F552 HydrophobicContact CG-CE2 4.16Å; L545-F552 HydrophobicContact CG-CZ 4.48Å; F552-F564 VanDerWaalsContact CA-O 3.31Å; F552-F564 WeakPolarHBondContact CA-O 3.42Å; F552-A565 HydrophobicContact CD1-CB 3.9Å; F552-A565 HydrophobicContact CD2-CB 4Å; F552-A565 HydrophobicContact CE1-CB 3.95Å; F552-A565 HydrophobicContact CE2-CB 4.04Å; F552-A565 HydrophobicContact CG-CB 3.93Å; F552-A565 HydrophobicContact CZ-CB 4.02Å; F552-R572 WeakPolarHBondContact O-CD 3.46Å; F552-R572 PolarHBondContact O-NH1 3.49Å
553	F	95.6	Very high	88.5	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	157.5	167.3	63.6	-81.1	0	0	0	108.7	V535 D536 F564 T566 R572 W575 V576 L579	V535-F553 HydrophobicContact CG2-CD2 4.1Å; D536-F553 CarbonylContact O-C 3.3Å; D536-F553 WeakPolarHBondContact O-CA 3.29Å; D536-F553 WeakPolarHBondContact O-CB 3.18Å; F553-F564 HydrophobicContact CD1-CB 3.85Å; F553-F564 HydrophobicContact CD2-CB 3.79Å; F553-F564 HydrophobicContact CD2-CD2 4.04Å; F553-F564 HydrophobicContact CD2-CG 4.22Å; F553-F564 HydrophobicContact CE1-CB 3.43Å; F553-F564 VanDerWaalsContact CE1-CB 3.43Å; F553-F564 HydrophobicContact CE1-CG 4.43Å; F553-F564 HydrophobicContact CE2-CB 3.35Å; F553-F564 HydrophobicContact CE2-CD1 4.39Å; F553-F564 AromaticContact CE2-CD2 3.64Å; F553-F564 HydrophobicContact CE2-CD2 3.64Å; F553-F564 AromaticContact CE2-CG 3.56Å; F553-F564 HydrophobicContact CE2-CG 3.56Å; F553-F564 HydrophobicContact CG-CB 4.03Å; F553-F564 HydrophobicContact CZ-CB 3.18Å; F553-F564 HydrophobicContact CZ-CD1 4.3Å; F553-F564 HydrophobicContact CZ-CD2 4.28Å; F553-F564 AromaticContact CZ-CG 3.71Å; F553-F564 HydrophobicContact CZ-CG 3.71Å; F553-F564 PolarHBondContact N-O 2.93Å; F553-F564 PolarHBondContact O-N 3.11Å; F553-T566 HydrophobicContact CE1-CG2 4.27Å; F553-R572 HydrophobicContact CB-CG 4.42Å; F553-R572 HydrophobicContact CD1-CG 3.95Å; F553-W575 HydrophobicContact CE1-CB 4.03Å; F553-W575 HydrophobicContact CE1-CG 4.37Å; F553-W575 HydrophobicContact CE2-CB 4.11Å; F553-W575 HydrophobicContact CZ-CB 3.61Å; F553-W575 HydrophobicContact CZ-CD2 4.5Å; F553-W575 AromaticContact CZ-CG 3.89Å; F553-W575 HydrophobicContact CZ-CG 3.89Å; F553-V576 HydrophobicContact CB-CG2 3.65Å; F553-V576 HydrophobicContact CD2-CG2 4.2Å; F553-V576 HydrophobicContact CG-CG2 3.93Å; F553-L579 HydrophobicContact CD2-CD1 4.2Å; F553-L579 HydrophobicContact CE2-CD1 3.6Å
554	S	94	Very high	89	Confident	10 Å²	10	52.3 Å²	52.3	7%	0.07	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	147.9	-177.6	64.4	0	0	0	0	111.1	V535 D536 I562	V535-S554 CarbonylContact C-O 3.53Å; V535-S554 VanDerWaalsContact CA-O 3.24Å; V535-S554 WeakPolarHBondContact CA-O 3.48Å; D536-S554 PolarHBondContact N-O 3.03Å; D536-S554 PolarHBondContact O-N 3.09Å; S554-I562 CarbonylContact C-O 3.58Å; S554-I562 VanDerWaalsContact CA-O 3.29Å; S554-I562 WeakPolarHBondContact CA-O 3.3Å
555	A	93.9	Very high	89.3	Confident	8 Å²	8	51.2 Å²	51.2	7%	0.066	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.2	167	0	0	0	0	0	108.7	F533 T534 I562 F564	F533-A555 HydrophobicContact CB-CB 4.44Å; F533-A555 HydrophobicContact CD1-CB 3.85Å; F533-A555 HydrophobicContact CG-CB 4.48Å; T534-A555 CarbonylContact O-C 3.36Å; T534-A555 VanDerWaalsContact O-CA 3.3Å; T534-A555 WeakPolarHBondContact O-CA 3.48Å; A555-I562 PolarHBondContact N-O 2.82Å; A555-I562 PolarHBondContact O-N 3.49Å; A555-F564 HydrophobicContact CB-CE2 4.03Å
556	L	90.1	Very high	89.7	Confident	71 Å²	71	47.9 Å²	47.9	37%	0.372	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.8	-172.5	-63.5	163.7	0	0	0	110.3	F533 T534 E561	F533-L556 CarbonylContact C-O 3.49Å; F533-L556 VanDerWaalsContact CA-O 3.24Å; F533-L556 WeakPolarHBondContact CA-O 3.28Å; T534-L556 PolarHBondContact N-O 2.97Å; T534-L556 PolarHBondContact O-N 3.4Å; T534-L556 PolarHBondContact OG1-O 3.2Å; L556-E561 HydrophobicContact CD2-CB 3.79Å; L556-E561 HydrophobicContact CD2-CG 3.62Å
557	R	87.1	Confident	90.1	Very high	102 Å²	102	46.1 Å²	46.1	39%	0.385	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	159.2	168.1	-175.7	174.5	67.8	161.1	1.2	107.4	F533 G559 E560	F533-R557 HydrophobicContact CD1-CB 3.71Å; F533-R557 HydrophobicContact CD2-CB 4.15Å; F533-R557 HydrophobicContact CE1-CB 3.61Å; F533-R557 HydrophobicContact CE2-CB 4.06Å; F533-R557 HydrophobicContact CE2-CG 4.48Å; F533-R557 HydrophobicContact CG-CB 3.99Å; F533-R557 HydrophobicContact CZ-CB 3.78Å; R557-G559 PolarHBondContact O-N 3.06Å; R557-E560 IonicContact CZ-OE2 3.43Å; R557-E560 PolarHBondContact N-O 3.17Å; R557-E560 IonicContact NE-OE2 2.72Å; R557-E560 IonicContact NH2-OE2 3.66Å; R557-E560 PolarHBondContact NH2-OE2 3.24Å; R557-E560 CarbonylContact O-C 3.6Å; R557-E560 PolarHBondContact O-N 3.04Å
558	E	78.1	Confident	90.4	Very high	197 Å²	197	47.6 Å²	47.6	92%	0.921	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49	117.5	179.1	-73.1	-171	160.8	0	0	111.7	E560	E558-E560 VanDerWaalsContact C-N 3.31Å; E558-E560 PolarHBondContact O-N 2.9Å
559	G	80.6	Confident	90.6	Very high	70 Å²	70	49.3 Å²	49.3	72%	0.722	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-11.8	-178.4	0	0	0	0	0	116.6	K491 R557	K491-G559 PolarHBondContact NZ-O 3.19Å; R557-G559 PolarHBondContact O-N 3.06Å
560	E	87.2	Confident	90.8	Very high	18 Å²	18	53 Å²	53	8%	0.084	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	125.4	-171.5	-169	168.7	-163.8	0	0	112.5	V492 F533 R557 E558 I562	V492-E560 WeakPolarHBondContact CB-OE1 3.36Å; V492-E560 VanDerWaalsContact CG2-OE1 3.3Å; V492-E560 WeakPolarHBondContact CG2-OE1 3.32Å; F533-E560 HydrophobicContact CE1-CG 4.29Å; F533-E560 HydrophobicContact CZ-CG 4.28Å; R557-E560 IonicContact CZ-OE2 3.43Å; R557-E560 PolarHBondContact N-O 3.17Å; R557-E560 IonicContact NE-OE2 2.72Å; R557-E560 IonicContact NH2-OE2 3.66Å; R557-E560 PolarHBondContact NH2-OE2 3.24Å; R557-E560 CarbonylContact O-C 3.6Å; R557-E560 PolarHBondContact O-N 3.04Å; E558-E560 VanDerWaalsContact C-N 3.31Å; E558-E560 PolarHBondContact O-N 2.9Å; E560-I562 HydrophobicContact CG-CG1 4.32Å
561	E	90.8	Very high	90.9	Very high	82 Å²	82	50.8 Å²	50.8	38%	0.383	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	131.3	172.1	176.3	-176.1	-175.4	0	0	108.3	L556 K563	L556-E561 HydrophobicContact CD2-CB 3.79Å; L556-E561 HydrophobicContact CD2-CG 3.62Å; E561-K563 HydrophobicContact CG-CG 4.33Å; E561-K563 WeakPolarHBondContact OE1-CE 3.28Å
562	I	93.9	Very high	90.9	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	112.6	174.1	-50.1	-179.9	0	0	0	107.8	L489 W494 M528 F533 S554 A555 E560 F564	L489-I562 CarbonylContact O-C 3.58Å; L489-I562 WeakPolarHBondContact O-CA 3.21Å; W494-I562 HydrophobicContact CE3-CG2 4.05Å; W494-I562 HydrophobicContact CZ3-CD1 4.29Å; W494-I562 HydrophobicContact CZ3-CG2 4.35Å; M528-I562 HydrophobicContact CE-CD1 3.43Å; M528-I562 VanDerWaalsContact CE-CD1 3.43Å; M528-I562 HydrophobicContact SD-CD1 3.26Å; M528-I562 WeakPolarHBondContact SD-CD1 3.3Å; F533-I562 HydrophobicContact CE1-CD1 3.95Å; F533-I562 HydrophobicContact CE1-CG1 4.27Å; F533-I562 HydrophobicContact CZ-CD1 4.18Å; S554-I562 CarbonylContact C-O 3.58Å; S554-I562 VanDerWaalsContact CA-O 3.29Å; S554-I562 WeakPolarHBondContact CA-O 3.3Å; A555-I562 PolarHBondContact N-O 2.82Å; A555-I562 PolarHBondContact O-N 3.49Å; E560-I562 HydrophobicContact CG-CG1 4.32Å; I562-F564 HydrophobicContact CB-CE2 3.89Å; I562-F564 HydrophobicContact CB-CZ 4.33Å; I562-F564 HydrophobicContact CG2-CD2 4.09Å; I562-F564 HydrophobicContact CG2-CE1 4.17Å; I562-F564 HydrophobicContact CG2-CE2 3.42Å; I562-F564 VanDerWaalsContact CG2-CE2 3.42Å; I562-F564 HydrophobicContact CG2-CZ 3.47Å; I562-F564 VanDerWaalsContact CG2-CZ 3.47Å
563	K	94.4	Very high	90.8	Very high	58 Å²	58	51.4 Å²	51.4	25%	0.252	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	135.8	174.1	-61.3	-171	-174.9	-171.1	0	109.1	A488 L489 D541 L544 E561	A488-K563 CarbonylContact C-O 3.39Å; A488-K563 VanDerWaalsContact CA-O 3.26Å; A488-K563 WeakPolarHBondContact CA-O 3.45Å; L489-K563 PolarHBondContact N-O 3.23Å; L489-K563 PolarHBondContact O-N 3.48Å; D541-K563 IonicContact OD2-NZ 3.17Å; D541-K563 PolarHBondContact OD2-NZ 3.01Å; L544-K563 HydrophobicContact CD1-CD 4.14Å; E561-K563 HydrophobicContact CG-CG 4.33Å; E561-K563 WeakPolarHBondContact OE1-CE 3.28Å
564	F	95.9	Very high	90.7	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.018	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	152.1	172.6	-63	-89.7	0	0	0	110.3	Y487 A488 W494 F502 M514 F552 F553 A555 I562	Y487-F564 CarbonylContact O-C 3.59Å; Y487-F564 WeakPolarHBondContact O-CA 3.34Å; A488-F564 HydrophobicContact CB-CD1 3.59Å; A488-F564 HydrophobicContact CB-CE1 3.69Å; W494-F564 HydrophobicContact CE3-CE1 4.4Å; W494-F564 HydrophobicContact CE3-CZ 4.36Å; W494-F564 HydrophobicContact CZ3-CE1 4.15Å; W494-F564 AromaticContact CZ3-CZ 3.88Å; W494-F564 HydrophobicContact CZ3-CZ 3.88Å; F502-F564 HydrophobicContact CE1-CE1 4.33Å; F502-F564 HydrophobicContact CZ-CE1 4.28Å; M514-F564 HydrophobicContact CE-CE1 4.02Å; M514-F564 HydrophobicContact CE-CZ 4.46Å; F552-F564 VanDerWaalsContact CA-O 3.31Å; F552-F564 WeakPolarHBondContact CA-O 3.42Å; F553-F564 HydrophobicContact CD1-CB 3.85Å; F553-F564 HydrophobicContact CD2-CB 3.79Å; F553-F564 HydrophobicContact CD2-CD2 4.04Å; F553-F564 HydrophobicContact CD2-CG 4.22Å; F553-F564 HydrophobicContact CE1-CB 3.43Å; F553-F564 VanDerWaalsContact CE1-CB 3.43Å; F553-F564 HydrophobicContact CE1-CG 4.43Å; F553-F564 HydrophobicContact CE2-CB 3.35Å; F553-F564 HydrophobicContact CE2-CD1 4.39Å; F553-F564 AromaticContact CE2-CD2 3.64Å; F553-F564 HydrophobicContact CE2-CD2 3.64Å; F553-F564 AromaticContact CE2-CG 3.56Å; F553-F564 HydrophobicContact CE2-CG 3.56Å; F553-F564 HydrophobicContact CG-CB 4.03Å; F553-F564 HydrophobicContact CZ-CB 3.18Å; F553-F564 HydrophobicContact CZ-CD1 4.3Å; F553-F564 HydrophobicContact CZ-CD2 4.28Å; F553-F564 AromaticContact CZ-CG 3.71Å; F553-F564 HydrophobicContact CZ-CG 3.71Å; F553-F564 PolarHBondContact N-O 2.93Å; F553-F564 PolarHBondContact O-N 3.11Å; A555-F564 HydrophobicContact CB-CE2 4.03Å; I562-F564 HydrophobicContact CB-CE2 3.89Å; I562-F564 HydrophobicContact CB-CZ 4.33Å; I562-F564 HydrophobicContact CG2-CD2 4.09Å; I562-F564 HydrophobicContact CG2-CE1 4.17Å; I562-F564 HydrophobicContact CG2-CE2 3.42Å; I562-F564 VanDerWaalsContact CG2-CE2 3.42Å; I562-F564 HydrophobicContact CG2-CZ 3.47Å; I562-F564 VanDerWaalsContact CG2-CZ 3.47Å
565	A	95.5	Very high	90.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	147.1	168.2	0	0	0	0	0	112.9	C486 Y487 W497 Y551 F552	C486-A565 WeakPolarHBondContact CA-O 3.42Å; Y487-A565 PolarHBondContact N-O 2.88Å; Y487-A565 PolarHBondContact O-N 3.34Å; W497-A565 HydrophobicContact CH2-CB 3.46Å; W497-A565 VanDerWaalsContact CH2-CB 3.46Å; W497-A565 HydrophobicContact CZ2-CB 3.67Å; Y551-A565 VanDerWaalsContact O-CA 3.25Å; Y551-A565 WeakPolarHBondContact O-CA 3.14Å; F552-A565 HydrophobicContact CD1-CB 3.9Å; F552-A565 HydrophobicContact CD2-CB 4Å; F552-A565 HydrophobicContact CE1-CB 3.95Å; F552-A565 HydrophobicContact CE2-CB 4.04Å; F552-A565 HydrophobicContact CG-CB 3.93Å; F552-A565 HydrophobicContact CZ-CB 4.02Å
566	T	93.9	Very high	90.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	164.4	169.4	56.9	0	0	0	0	110.4	Q550 Y551 F553 D568 E571 R572	Q550-T566 PolarHBondContact N-O 2.92Å; Y551-T566 PolarHBondContact N-O 3.43Å; Y551-T566 PolarHBondContact O-N 3.44Å; F553-T566 HydrophobicContact CE1-CG2 4.27Å; T566-D568 WeakPolarHBondContact CB-O 3.41Å; T566-D568 PolarHBondContact OG1-O 3.35Å; T566-E571 HydrophobicContact CG2-CB 3.94Å; T566-R572 WeakPolarHBondContact OG1-CB 3.43Å; T566-R572 PolarHBondContact OG1-N 3.3Å
567	N	91.6	Very high	90.7	Very high	77 Å²	77	53.3 Å²	53.3	41%	0.412	28%	0.278	S	S	.	.	S	Bend	trans	-86.3	-19.9	173.3	-70.4	-11.8	0	0	0	112.3	G549 Y551	G549-N567 WeakPolarHBondContact CA-OD1 3.34Å; G549-N567 PolarHBondContact N-OD1 3.31Å; Y551-N567 WeakPolarHBondContact CE2-O 3.39Å
568	D	88.9	Confident	90.9	Very high	76 Å²	76	49.2 Å²	49.2	41%	0.406	27%	0.266	S	S	.	.	S	Bend	trans	-119.1	138	-178.9	177.9	-92.6	0	0	0	110.2	T566 S570 E571 R572	T566-D568 WeakPolarHBondContact CB-O 3.41Å; T566-D568 PolarHBondContact OG1-O 3.35Å; D568-S570 VanDerWaalsContact OD1-CA 3.29Å; D568-S570 WeakPolarHBondContact OD1-CA 3.46Å; D568-S570 WeakPolarHBondContact OD1-CB 3.4Å; D568-S570 PolarHBondContact OD1-N 3.36Å; D568-E571 HydrophobicContact CB-CB 4.25Å; D568-E571 HydrophobicContact CB-CG 4.06Å; D568-E571 PolarHBondContact O-N 3.19Å; D568-E571 PolarHBondContact OD1-N 2.86Å; D568-R572 PolarHBondContact O-N 2.88Å; D568-R572 VanDerWaalsContact O-N 3.16Å
569	D	89.7	Confident	91.6	Very high	56 Å²	56	40 Å²	40	30%	0.299	22%	0.224	S	C	.	.	H	α-helix	trans	-73.3	-32.9	-176.6	-169.5	40.5	0	0	0	112.6	Y551 E571 R572 H573	Y551-D569 HydrophobicContact CD1-CB 3.8Å; Y551-D569 HydrophobicContact CD2-CB 4.13Å; Y551-D569 HydrophobicContact CE1-CB 3.77Å; Y551-D569 HydrophobicContact CE2-CB 4.11Å; Y551-D569 HydrophobicContact CG-CB 3.98Å; D569-E571 VanDerWaalsContact C-N 3.33Å; D569-R572 WeakPolarHBondContact O-CB 3.45Å; D569-R572 PolarHBondContact O-N 3.32Å; D569-R572 IonicContact OD1-CZ 3.89Å; D569-R572 IonicContact OD1-NE 3.76Å; D569-R572 PolarHBondContact OD1-NE 3.42Å; D569-R572 IonicContact OD1-NH2 3.79Å; D569-R572 PolarHBondContact OD1-NH2 3.32Å; D569-R572 IonicContact OD2-NH2 2.72Å; D569-H573 PolarHBondContact O-N 2.87Å
570	S	90.1	Very high	92	Very high	80 Å²	80	38.1 Å²	38.1	56%	0.559	20%	0.195	S	C	*	.	H	α-helix	trans	-65.2	-40.1	174.4	174.3	0	0	0	0	110.4	D568 R572 H573 M574	D568-S570 VanDerWaalsContact OD1-CA 3.29Å; D568-S570 WeakPolarHBondContact OD1-CA 3.46Å; D568-S570 WeakPolarHBondContact OD1-CB 3.4Å; D568-S570 PolarHBondContact OD1-N 3.36Å; S570-R572 PolarHBondContact O-N 2.82Å; S570-H573 PolarHBondContact O-N 3.43Å; S570-M574 VanDerWaalsContact O-CG 3.29Å; S570-M574 WeakPolarHBondContact O-CG 3.47Å; S570-M574 PolarHBondContact O-N 2.98Å
571	E	90.4	Very high	91.9	Very high	71 Å²	71	41.6 Å²	41.6	33%	0.332	21%	0.207	S	C	.	.	H	α-helix	trans	-60.5	-42.9	171.5	-70.9	-173.8	165.9	0	0	112.3	T566 D568 D569 H573 M574 W575	T566-E571 HydrophobicContact CG2-CB 3.94Å; D568-E571 HydrophobicContact CB-CB 4.25Å; D568-E571 HydrophobicContact CB-CG 4.06Å; D568-E571 PolarHBondContact O-N 3.19Å; D568-E571 PolarHBondContact OD1-N 2.86Å; D569-E571 VanDerWaalsContact C-N 3.33Å; E571-H573 VanDerWaalsContact C-N 3.34Å; E571-H573 PolarHBondContact O-N 2.93Å; E571-M574 PolarHBondContact O-N 3.43Å; E571-W575 PolarHBondContact O-N 2.95Å
572	R	93.2	Very high	91.8	Very high	22 Å²	22	37.7 Å²	37.7	8%	0.083	19%	0.189	C	C	.	.	H	α-helix	trans	-57.2	-49.9	174.8	173	175.7	66.6	161.5	2.8	110.3	Y537 F552 F553 T566 D568 D569 S570 M574 W575 V576	Y537-R572 HydrophobicContact CD1-CG 4.3Å; Y537-R572 HydrophobicContact CE1-CG 4.31Å; F552-R572 WeakPolarHBondContact O-CD 3.46Å; F552-R572 PolarHBondContact O-NH1 3.49Å; F553-R572 HydrophobicContact CB-CG 4.42Å; F553-R572 HydrophobicContact CD1-CG 3.95Å; T566-R572 WeakPolarHBondContact OG1-CB 3.43Å; T566-R572 PolarHBondContact OG1-N 3.3Å; D568-R572 PolarHBondContact O-N 2.88Å; D568-R572 VanDerWaalsContact O-N 3.16Å; D569-R572 WeakPolarHBondContact O-CB 3.45Å; D569-R572 PolarHBondContact O-N 3.32Å; D569-R572 IonicContact OD1-CZ 3.89Å; D569-R572 IonicContact OD1-NE 3.76Å; D569-R572 PolarHBondContact OD1-NE 3.42Å; D569-R572 IonicContact OD1-NH2 3.79Å; D569-R572 PolarHBondContact OD1-NH2 3.32Å; D569-R572 IonicContact OD2-NH2 2.72Å; S570-R572 PolarHBondContact O-N 2.82Å; R572-M574 VanDerWaalsContact C-N 3.3Å; R572-M574 PolarHBondContact O-N 2.95Å; R572-W575 PolarHBondContact O-N 2.78Å; R572-V576 HydrophobicContact CG-CG2 4.26Å; R572-V576 WeakPolarHBondContact O-CG2 3.43Å; R572-V576 PolarHBondContact O-N 3.49Å
573	H	92.6	Very high	91.6	Very high	75 Å²	75	38 Å²	38	35%	0.347	19%	0.191	S	C	.	.	H	α-helix	trans	-57.9	-45.3	-178.9	-172.1	68.1	0	0	0	111.4	Y537 D569 S570 E571 V576 Q577	Y537-H573 AromaticContact CZ-ND1 3.98Å; Y537-H573 PolarHBondContact OH-CE1 3.01Å; Y537-H573 PolarHBondContact OH-ND1 3Å; D569-H573 PolarHBondContact O-N 2.87Å; S570-H573 PolarHBondContact O-N 3.43Å; E571-H573 VanDerWaalsContact C-N 3.34Å; E571-H573 PolarHBondContact O-N 2.93Å; H573-V576 PolarHBondContact O-N 3.47Å; H573-Q577 WeakPolarHBondContact O-CG 3.47Å; H573-Q577 PolarHBondContact O-N 2.99Å
574	M	92.4	Very high	90.8	Very high	91 Å²	91	35.2 Å²	35.2	45%	0.448	18%	0.179	S	C	.	.	H	α-helix	trans	-64	-40.3	177.6	-69	-68.7	-72.9	0	0	112.7	Y482 S570 E571 R572 A578	Y482-M574 HydrophobicContact CE1-CB 3.88Å; Y482-M574 HydrophobicContact CE2-CB 3.89Å; Y482-M574 HydrophobicContact CE2-CE 4.03Å; Y482-M574 VanDerWaalsContact CZ-CB 3.41Å; Y482-M574 WeakPolarHBondContact OH-CB 3.48Å; S570-M574 VanDerWaalsContact O-CG 3.29Å; S570-M574 WeakPolarHBondContact O-CG 3.47Å; S570-M574 PolarHBondContact O-N 2.98Å; E571-M574 PolarHBondContact O-N 3.43Å; R572-M574 VanDerWaalsContact C-N 3.3Å; R572-M574 PolarHBondContact O-N 2.95Å; M574-A578 VanDerWaalsContact O-CB 3.27Å; M574-A578 WeakPolarHBondContact O-CB 3.45Å; M574-A578 PolarHBondContact O-N 3.48Å
575	W	94.7	Very high	90.3	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-61.9	-46.8	173.2	-85.7	112.5	0	0	0	112.2	Y482 C486 F502 L504 M514 F553 E571 R572 Q577 A578 L579	Y482-W575 AromaticContact CD1-CD2 3.35Å; Y482-W575 HydrophobicContact CD1-CD2 3.35Å; Y482-W575 AromaticContact CD1-CE2 3.47Å; Y482-W575 VanDerWaalsContact CD1-CE2 3.47Å; Y482-W575 AromaticContact CD1-CE3 3.54Å; Y482-W575 HydrophobicContact CD1-CE3 3.54Å; Y482-W575 AromaticContact CD1-CG 3.86Å; Y482-W575 HydrophobicContact CD1-CG 3.86Å; Y482-W575 AromaticContact CD1-CH2 3.93Å; Y482-W575 HydrophobicContact CD1-CH2 3.93Å; Y482-W575 AromaticContact CD1-CZ2 3.79Å; Y482-W575 HydrophobicContact CD1-CZ2 3.79Å; Y482-W575 AromaticContact CD1-CZ3 3.8Å; Y482-W575 HydrophobicContact CD1-CZ3 3.8Å; Y482-W575 AromaticContact CD1-NE1 3.98Å; Y482-W575 HydrophobicContact CE1-CB 4.35Å; Y482-W575 AromaticContact CE1-CD1 3.57Å; Y482-W575 AromaticContact CE1-CD2 3.53Å; Y482-W575 HydrophobicContact CE1-CD2 3.53Å; Y482-W575 AromaticContact CE1-CE2 3.45Å; Y482-W575 VanDerWaalsContact CE1-CE2 3.45Å; Y482-W575 HydrophobicContact CE1-CE3 4.21Å; Y482-W575 AromaticContact CE1-CG 3.59Å; Y482-W575 HydrophobicContact CE1-CG 3.59Å; Y482-W575 HydrophobicContact CE1-CZ2 4.08Å; Y482-W575 AromaticContact CE1-NE1 3.44Å; C486-W575 VanDerWaalsContact SG-CD1 3.57Å; C486-W575 PolarHBondContact SG-NE1 2.68Å; F502-W575 HydrophobicContact CB-CH2 3.68Å; F502-W575 HydrophobicContact CB-CZ2 3.97Å; L504-W575 HydrophobicContact CB-CZ3 4.1Å; M514-W575 HydrophobicContact CE-CE3 3.94Å; M514-W575 HydrophobicContact CE-CH2 3.78Å; M514-W575 HydrophobicContact CE-CZ3 3.42Å; M514-W575 VanDerWaalsContact CE-CZ3 3.42Å; M514-W575 HydrophobicContact SD-CH2 4.25Å; M514-W575 HydrophobicContact SD-CZ3 3.8Å; F553-W575 HydrophobicContact CE1-CB 4.03Å; F553-W575 HydrophobicContact CE1-CG 4.37Å; F553-W575 HydrophobicContact CE2-CB 4.11Å; F553-W575 HydrophobicContact CZ-CB 3.61Å; F553-W575 HydrophobicContact CZ-CD2 4.5Å; F553-W575 AromaticContact CZ-CG 3.89Å; F553-W575 HydrophobicContact CZ-CG 3.89Å; E571-W575 PolarHBondContact O-N 2.95Å; R572-W575 PolarHBondContact O-N 2.78Å; W575-Q577 PolarHBondContact O-N 3.3Å; W575-A578 PolarHBondContact O-N 3.36Å; W575-L579 WeakPolarHBondContact O-CB 3.34Å; W575-L579 WeakPolarHBondContact O-CG 3.28Å; W575-L579 PolarHBondContact O-N 3.13Å
576	V	93.7	Very high	89.2	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63	-43	179.2	173.9	0	0	0	0	111	V535 Y537 F553 R572 H573 Y580 P589	V535-V576 HydrophobicContact CG1-CG1 4.5Å; V535-V576 HydrophobicContact CG2-CG1 4.34Å; V535-V576 HydrophobicContact CG2-CG2 4.28Å; Y537-V576 HydrophobicContact CD1-CG2 4.17Å; Y537-V576 HydrophobicContact CD2-CG1 4.33Å; Y537-V576 HydrophobicContact CE1-CB 4.2Å; Y537-V576 HydrophobicContact CE1-CG1 4.3Å; Y537-V576 HydrophobicContact CE1-CG2 3.92Å; Y537-V576 HydrophobicContact CE2-CG1 3.75Å; F553-V576 HydrophobicContact CB-CG2 3.65Å; F553-V576 HydrophobicContact CD2-CG2 4.2Å; F553-V576 HydrophobicContact CG-CG2 3.93Å; R572-V576 HydrophobicContact CG-CG2 4.26Å; R572-V576 WeakPolarHBondContact O-CG2 3.43Å; R572-V576 PolarHBondContact O-N 3.49Å; H573-V576 PolarHBondContact O-N 3.47Å; V576-Y580 WeakPolarHBondContact O-CB 3.35Å; V576-Y580 PolarHBondContact O-N 3.41Å; V576-P589 HydrophobicContact CG1-CB 3.55Å; V576-P589 HydrophobicContact CG1-CG 3.79Å
577	Q	90.2	Very high	88.4	Confident	37 Å²	37	44.6 Å²	44.6	17%	0.173	24%	0.236	C	C	.	.	H	α-helix	trans	-65.4	-40.7	176	-68.1	-54.6	-53.8	0	0	112.4	H573 W575 R581	H573-Q577 WeakPolarHBondContact O-CG 3.47Å; H573-Q577 PolarHBondContact O-N 2.99Å; W575-Q577 PolarHBondContact O-N 3.3Å; Q577-R581 WeakPolarHBondContact O-CG 3.44Å; Q577-R581 PolarHBondContact O-N 2.98Å; Q577-R581 VanDerWaalsContact O-N 3.16Å
578	A	90.8	Very high	87.9	Confident	17 Å²	17	46.7 Å²	46.7	14%	0.14	24%	0.241	C	C	.	.	H	α-helix	trans	-66.4	-45	178.6	0	0	0	0	0	111.5	Y482 L504 M574 W575 R581 A582	Y482-A578 HydrophobicContact CD1-CB 4.41Å; Y482-A578 HydrophobicContact CG-CB 4.18Å; L504-A578 HydrophobicContact CD2-CB 3.83Å; M574-A578 VanDerWaalsContact O-CB 3.27Å; M574-A578 WeakPolarHBondContact O-CB 3.45Å; M574-A578 PolarHBondContact O-N 3.48Å; W575-A578 PolarHBondContact O-N 3.36Å; A578-R581 PolarHBondContact O-N 3.14Å; A578-A582 WeakPolarHBondContact O-CB 3.29Å; A578-A582 PolarHBondContact O-N 3.4Å
579	L	92.3	Very high	87.8	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-66.6	-40.8	175.6	-76.6	169.3	0	0	0	111.7	L504 V530 V535 F553 W575 R581 A582 T583	L504-L579 HydrophobicContact CD1-CD2 4.03Å; L504-L579 HydrophobicContact CD2-CD2 4.3Å; V530-L579 HydrophobicContact CG1-CD2 4.28Å; V535-L579 HydrophobicContact CB-CB 3.97Å; V535-L579 HydrophobicContact CG1-CB 3.79Å; V535-L579 HydrophobicContact CG2-CB 4.04Å; V535-L579 HydrophobicContact CG2-CD1 4.07Å; F553-L579 HydrophobicContact CD2-CD1 4.2Å; F553-L579 HydrophobicContact CE2-CD1 3.6Å; W575-L579 WeakPolarHBondContact O-CB 3.34Å; W575-L579 WeakPolarHBondContact O-CG 3.28Å; W575-L579 PolarHBondContact O-N 3.13Å; L579-R581 VanDerWaalsContact C-N 3.27Å; L579-R581 PolarHBondContact O-N 3.23Å; L579-A582 CarbonylContact O-C 3.55Å; L579-A582 PolarHBondContact O-N 3.5Å; L579-T583 WeakPolarHBondContact O-CB 3.5Å; L579-T583 WeakPolarHBondContact O-CG2 3.33Å; L579-T583 PolarHBondContact O-N 3.23Å; L579-T583 PolarHBondContact O-OG1 3.37Å
580	Y	89	Confident	87.3	Confident	30 Å²	30	46.2 Å²	46.2	12%	0.118	24%	0.238	C	C	.	.	H	α-helix	trans	-55.3	-43.3	175.3	166.7	-110.5	0	0	0	111.9	V576 T583 G584 Q585 K588 P589	V576-Y580 WeakPolarHBondContact O-CB 3.35Å; V576-Y580 PolarHBondContact O-N 3.41Å; Y580-T583 PolarHBondContact O-OG1 3.01Å; Y580-G584 PolarHBondContact O-N 3.48Å; Y580-Q585 HydrophobicContact CD2-CG 3.46Å; Y580-Q585 VanDerWaalsContact CD2-CG 3.46Å; Y580-Q585 HydrophobicContact CE2-CG 3.77Å; Y580-Q585 WeakPolarHBondContact CE2-O 3.41Å; Y580-K588 HydrophobicContact CE1-CG 4.19Å; Y580-K588 HydrophobicContact CE2-CB 4.11Å; Y580-K588 HydrophobicContact CE2-CG 4.41Å; Y580-P589 HydrophobicContact CD2-CG 4.25Å
581	R	86.3	Confident	86.8	Confident	90 Å²	90	45.4 Å²	45.4	34%	0.34	23%	0.23	S	C	.	.	H	α-helix	trans	-68	-40.9	173.6	-69.3	177.3	179.3	165.7	2.4	111.8	E238 A241 R244 Q577 A578 L579	E238-R581 HydrophobicContact CG-CG 4.38Å; E238-R581 IonicContact OE1-CZ 2.93Å; E238-R581 IonicContact OE1-NE 3.35Å; E238-R581 PolarHBondContact OE1-NE 3.01Å; E238-R581 IonicContact OE1-NH2 3.47Å; E238-R581 PolarHBondContact OE1-NH2 3.04Å; A241-R581 WeakPolarHBondContact CB-O 3.5Å; R244-R581 PolarHBondContact NH2-O 3.44Å; Q577-R581 WeakPolarHBondContact O-CG 3.44Å; Q577-R581 PolarHBondContact O-N 2.98Å; Q577-R581 VanDerWaalsContact O-N 3.16Å; A578-R581 PolarHBondContact O-N 3.14Å; L579-R581 VanDerWaalsContact C-N 3.27Å; L579-R581 PolarHBondContact O-N 3.23Å
582	A	89.1	Confident	86	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-76.3	-26.7	-176.4	0	0	0	0	0	114.2	R244 L504 F512 V530 A578 L579	R244-A582 PolarHBondContact NH1-O 3.11Å; L504-A582 HydrophobicContact CD1-CB 3.95Å; L504-A582 HydrophobicContact CD2-CB 3.77Å; L504-A582 HydrophobicContact CG-CB 4.2Å; F512-A582 HydrophobicContact CB-CB 3.94Å; F512-A582 HydrophobicContact CD1-CB 3.45Å; F512-A582 VanDerWaalsContact CD1-CB 3.45Å; F512-A582 HydrophobicContact CD2-CB 4.35Å; F512-A582 WeakPolarHBondContact CD2-O 3.29Å; F512-A582 HydrophobicContact CE1-CB 3.97Å; F512-A582 HydrophobicContact CG-CB 3.66Å; V530-A582 HydrophobicContact CG2-CB 4.2Å; A578-A582 WeakPolarHBondContact O-CB 3.29Å; A578-A582 PolarHBondContact O-N 3.4Å; L579-A582 CarbonylContact O-C 3.55Å; L579-A582 PolarHBondContact O-N 3.5Å
583	T	88.1	Confident	84.2	Confident	7 Å²	7	54.3 Å²	54.3	4%	0.043	28%	0.275	C	S	.	.	H	α-helix	trans	-82.3	-27.7	174	57.2	0	0	0	0	111.8	F533 L579 Y580 Q585	F533-T583 HydrophobicContact CB-CG2 4.08Å; F533-T583 WeakPolarHBondContact O-CB 3.34Å; F533-T583 VanDerWaalsContact O-CG2 3.24Å; F533-T583 WeakPolarHBondContact O-CG2 3.29Å; L579-T583 WeakPolarHBondContact O-CB 3.5Å; L579-T583 WeakPolarHBondContact O-CG2 3.33Å; L579-T583 PolarHBondContact O-N 3.23Å; L579-T583 PolarHBondContact O-OG1 3.37Å; Y580-T583 PolarHBondContact O-OG1 3.01Å; T583-Q585 PolarHBondContact O-N 3.24Å; T583-Q585 PolarHBondContact OG1-N 2.94Å; T583-Q585 PolarHBondContact OG1-OE1 3.49Å; T583-Q585 VanDerWaalsContact OG1-OE1 3.09Å
584	G	79.2	Confident	82.1	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.01	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	25.9	-173.9	0	0	0	0	0	112.3	R245 Y580	R245-G584 WeakPolarHBondContact CG-O 3.44Å; Y580-G584 PolarHBondContact O-N 3.48Å
585	Q	83.6	Confident	79.4	Confident	14 Å²	14	59.5 Å²	59.5	7%	0.065	31%	0.311	C	S	.	.			trans	-64.4	147.8	176.2	71.7	-168.2	56.2	0	0	111.9	R245 T534 V535 Y580 T583 H587	R245-Q585 WeakPolarHBondContact CD-O 3.14Å; T534-Q585 VanDerWaalsContact CA-OE1 3.28Å; T534-Q585 HydrophobicContact CG2-CB 3.99Å; V535-Q585 PolarHBondContact O-NE2 3Å; V535-Q585 PolarHBondContact O-OE1 2.9Å; Y580-Q585 HydrophobicContact CD2-CG 3.46Å; Y580-Q585 VanDerWaalsContact CD2-CG 3.46Å; Y580-Q585 HydrophobicContact CE2-CG 3.77Å; Y580-Q585 WeakPolarHBondContact CE2-O 3.41Å; T583-Q585 PolarHBondContact O-N 3.24Å; T583-Q585 PolarHBondContact OG1-N 2.94Å; T583-Q585 PolarHBondContact OG1-OE1 3.49Å; T583-Q585 VanDerWaalsContact OG1-OE1 3.09Å; Q585-H587 WeakPolarHBondContact CG-O 3.39Å; Q585-H587 PolarHBondContact NE2-O 3.28Å
586	A	73.2	Confident	76.6	Confident	76 Å²	76	63.8 Å²	63.8	63%	0.628	34%	0.341	S	S	*	.	S	Bend	trans	-71	-41.3	-178.4	0	0	0	0	0	113.7
587	H	76.7	Confident	73.9	Confident	110 Å²	110	70.7 Å²	70.7	51%	0.509	38%	0.383	S	S	.	.	S	Bend	trans	-82.7	122.8	-177.8	177.2	-95.1	0	0	0	111.3	Q585 P589	Q585-H587 WeakPolarHBondContact CG-O 3.39Å; Q585-H587 PolarHBondContact NE2-O 3.28Å; H587-P589 WeakPolarHBondContact O-CD 3.43Å
588	K	81.7	Confident	71.2	Confident	121 Å²	121	76.5 Å²	76.5	53%	0.526	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-74.1	122.6	175.3	-173.6	175.4	-179.2	176.6	0	110.2	Y580 I590	Y580-K588 HydrophobicContact CE1-CG 4.19Å; Y580-K588 HydrophobicContact CE2-CB 4.11Å; Y580-K588 HydrophobicContact CE2-CG 4.41Å; K588-I590 PolarHBondContact O-N 2.89Å
589	P	86.1	Confident	68.5	Low	2 Å²	2	81.5 Å²	81.5	1%	0.013	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-57.6	128.9	175.9	-25.8	36	0	0	0	111.1	V535 Y537 V576 Y580 H587	V535-P589 HydrophobicContact CG1-CG 4.1Å; V535-P589 VanDerWaalsContact O-CG 3.27Å; V535-P589 WeakPolarHBondContact O-CG 3.44Å; Y537-P589 HydrophobicContact CD2-CB 3.95Å; Y537-P589 HydrophobicContact CE2-CB 3.69Å; V576-P589 HydrophobicContact CG1-CB 3.55Å; V576-P589 HydrophobicContact CG1-CG 3.79Å; Y580-P589 HydrophobicContact CD2-CG 4.25Å; H587-P589 WeakPolarHBondContact O-CD 3.43Å
590	I	80.3	Confident	65.7	Low	121 Å²	121	93 Å²	93	62%	0.621	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-100.4	121.2	-179.4	-56.9	176.6	0	0	0	107.7	Y537 K588	Y537-I590 VanDerWaalsContact CD2-O 3.22Å; Y537-I590 WeakPolarHBondContact CD2-O 3.4Å; K588-I590 PolarHBondContact O-N 2.89Å
591	P	79.5	Confident	63.1	Low	62 Å²	62	98 Å²	98	40%	0.403	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-57.3	140.9	175.5	-18	28	0	0	0	110.5	Y537 K593	Y537-P591 HydrophobicContact CE1-CB 4.48Å; Y537-P591 HydrophobicContact CE2-CB 4.22Å; Y537-P591 HydrophobicContact CE2-CG 4.08Å; P591-K593 PolarHBondContact O-N 2.91Å
592	P	73.5	Confident	61	Low	67 Å²	67	100.8 Å²	100.8	44%	0.435	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-53.2	133.6	168.4	-20.5	30.6	0	0	0	109.1	V594	P592-V594 PolarHBondContact O-N 2.88Å
593	K	56	Low	59.1	Low	213 Å²	213	106.3 Å²	106.3	93%	0.926	56%	0.562	S	S	*	*			trans	-54	107.4	-174.7	-70.6	179.6	179.9	176.7	0	110.7	P591	P591-K593 PolarHBondContact O-N 2.91Å
594	V	48.7	Very low	57.3	Low	107 Å²	107	107.3 Å²	107.3	65%	0.648	57%	0.573	S	S	*	*			trans	-113.7	123.5	159.5	-167.6	0	0	0	0	105.5	P592 S596	P592-V594 PolarHBondContact O-N 2.88Å; V594-S596 PolarHBondContact O-N 3.49Å
595	D	35.5	Very low	56.1	Low	169 Å²	169	110.4 Å²	110.4	90%	0.904	59%	0.59	S	S	*	*			trans	-52.9	100.8	-177.9	-77.6	-37.9	0	0	0	110.5
596	S	34.9	Very low	55.1	Low	90 Å²	90	114.2 Å²	114.2	63%	0.629	61%	0.611	S	S	*	*			trans	-151.4	94.5	177.8	-69.2	0	0	0	0	107.7	V594 L598	V594-S596 PolarHBondContact O-N 3.49Å; S596-L598 PolarHBondContact O-N 3.39Å
597	T	37.4	Very low	54.5	Low	145 Å²	145	116 Å²	116	89%	0.89	61%	0.606	S	S	*	*			trans	-66.2	65.8	174	48.4	0	0	0	0	111.1
598	L	33.5	Very low	53.7	Low	159 Å²	159	111 Å²	111	83%	0.832	58%	0.583	S	S	*	*			trans	-143.2	45.9	179.2	-75.1	170.3	0	0	0	111.7	S596	S596-L598 PolarHBondContact O-N 3.39Å
599	T	34.5	Very low	53	Low	123 Å²	123	110.8 Å²	110.8	76%	0.755	58%	0.583	S	S	*	*			trans	-97.8	88.9	151.4	55.9	0	0	0	0	107.6	K601	T599-K601 PolarHBondContact O-N 2.9Å
600	R	33.7	Very low	52.2	Low	245 Å²	245	119.4 Å²	119.4	93%	0.925	62%	0.62	S	S	*	*			trans	-68.1	84.9	166.3	-157	178.1	-164.8	-178.8	4.1	106.3	H602	R600-H602 PolarHBondContact O-N 3.5Å
601	K	34.3	Very low	51.8	Low	134 Å²	134	117.8 Å²	117.8	58%	0.583	61%	0.612	S	S	*	*			trans	-49.5	132.5	169.4	-74.1	178.1	176.2	175.2	0	107.4	T599	T599-K601 PolarHBondContact O-N 2.9Å
602	H	42.4	Very low	51.8	Low	149 Å²	149	116.4 Å²	116.4	69%	0.69	61%	0.609	S	S	*	*			trans	-56.9	135.2	176.1	-85.6	-64.6	0	0	0	108.5	R600 G604 D605	R600-H602 PolarHBondContact O-N 3.5Å; H602-G604 PolarHBondContact O-N 3.27Å; H602-D605 PolarHBondContact O-N 3.21Å
603	P	48.6	Very low	52.1	Low	118 Å²	118	113.3 Å²	113.3	77%	0.766	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55	-19.6	-177.4	-24.8	31.4	0	0	0	114.5
604	G	50.5	Low	53.3	Low	27 Å²	27	104.2 Å²	104.2	28%	0.278	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.4	-28.5	177.5	0	0	0	0	0	115.2	H602 D606 Q607 A608	H602-G604 PolarHBondContact O-N 3.27Å; G604-D606 PolarHBondContact O-N 3.21Å; G604-Q607 PolarHBondContact O-N 2.93Å; G604-Q607 VanDerWaalsContact O-N 3.12Å; G604-A608 PolarHBondContact O-N 3.14Å
605	D	54.6	Low	55	Low	67 Å²	67	106.1 Å²	106.1	36%	0.358	55%	0.552	S	S	.	*	H	α-helix	trans	-64.9	-39.8	-174.4	-83.1	-5.1	0	0	0	112.2	H602 Q607 A608 K609	H602-D605 PolarHBondContact O-N 3.21Å; D605-Q607 PolarHBondContact O-N 3.22Å; D605-A608 PolarHBondContact O-N 3.38Å; D605-K609 WeakPolarHBondContact O-CB 3.24Å; D605-K609 WeakPolarHBondContact O-CG 3.35Å; D605-K609 PolarHBondContact O-N 3.44Å
606	D	61.5	Low	57.4	Low	94 Å²	94	99.2 Å²	99.2	50%	0.503	51%	0.514	S	S	.	.	H	α-helix	trans	-67	-28.1	177.9	-85.2	-1.3	0	0	0	111.8	G604 K610	G604-D606 PolarHBondContact O-N 3.21Å; D606-K610 WeakPolarHBondContact O-CB 3.24Å; D606-K610 VanDerWaalsContact O-CG 3.24Å; D606-K610 WeakPolarHBondContact O-CG 3.47Å; D606-K610 PolarHBondContact O-N 2.8Å
607	Q	60.3	Low	59.7	Low	112 Å²	112	95.9 Å²	95.9	52%	0.523	49%	0.489	S	S	.	.	H	α-helix	trans	-81.4	-40.7	178.1	-165	168.6	3	0	0	111.7	L226 G604 D605 K609 K610 L611	L226-Q607 HydrophobicContact CD2-CB 4.33Å; L226-Q607 HydrophobicContact CD2-CG 4.48Å; G604-Q607 PolarHBondContact O-N 2.93Å; G604-Q607 VanDerWaalsContact O-N 3.12Å; D605-Q607 PolarHBondContact O-N 3.22Å; Q607-K609 PolarHBondContact O-N 3.2Å; Q607-K610 PolarHBondContact O-N 3.23Å; Q607-L611 HydrophobicContact CG-CD1 4.15Å; Q607-L611 WeakPolarHBondContact O-CG 3.48Å; Q607-L611 PolarHBondContact O-N 3.48Å
608	A	61.1	Low	61.8	Low	5 Å²	5	95.2 Å²	95.2	4%	0.041	48%	0.476	C	S	.	.	H	α-helix	trans	-62.5	-41	175.5	0	0	0	0	0	112	L226 G604 D605 L611 G612 I613 D614	L226-A608 HydrophobicContact CD2-CB 4.48Å; G604-A608 PolarHBondContact O-N 3.14Å; D605-A608 PolarHBondContact O-N 3.38Å; A608-L611 PolarHBondContact O-N 3.47Å; A608-G612 PolarHBondContact O-N 3.1Å; A608-G612 VanDerWaalsContact O-N 3.1Å; A608-I613 PolarHBondContact O-N 3.28Å; A608-D614 HydrophobicContact CB-CB 4.41Å
609	K	66.8	Low	64.1	Low	118 Å²	118	88.9 Å²	88.9	51%	0.513	45%	0.446	S	S	.	.	H	α-helix	trans	-64.9	-44	174.8	-78.7	-177.7	176.1	-179	0	113.1	D605 Q607 L611 G612 D614	D605-K609 WeakPolarHBondContact O-CB 3.24Å; D605-K609 WeakPolarHBondContact O-CG 3.35Å; D605-K609 PolarHBondContact O-N 3.44Å; Q607-K609 PolarHBondContact O-N 3.2Å; K609-L611 PolarHBondContact O-N 3.45Å; K609-G612 PolarHBondContact O-N 3.29Å; K609-D614 WeakPolarHBondContact CE-OD2 3.46Å; K609-D614 HydrophobicContact CG-CB 3.86Å; K609-D614 VanDerWaalsContact CG-OD2 3.31Å; K609-D614 WeakPolarHBondContact CG-OD2 3.48Å
610	K	68.8	Low	66.3	Low	182 Å²	182	85.8 Å²	85.8	79%	0.791	43%	0.425	S	S	*	.	H	α-helix	trans	-60.7	-27.2	176.9	-80.3	175.6	-178	177.9	0	113.3	D606 Q607	D606-K610 WeakPolarHBondContact O-CB 3.24Å; D606-K610 VanDerWaalsContact O-CG 3.24Å; D606-K610 WeakPolarHBondContact O-CG 3.47Å; D606-K610 PolarHBondContact O-N 2.8Å; Q607-K610 PolarHBondContact O-N 3.23Å
611	L	72.5	Confident	68.7	Low	87 Å²	87	75.3 Å²	75.3	46%	0.455	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	0.1	-178.3	-63.9	170.6	0	0	0	113.5	F222 L226 Q607 A608 K609 I613	F222-L611 HydrophobicContact CD2-CD1 4.24Å; F222-L611 HydrophobicContact CE2-CD1 3.94Å; L226-L611 HydrophobicContact CD1-CD1 3.84Å; Q607-L611 HydrophobicContact CG-CD1 4.15Å; Q607-L611 WeakPolarHBondContact O-CG 3.48Å; Q607-L611 PolarHBondContact O-N 3.48Å; A608-L611 PolarHBondContact O-N 3.47Å; K609-L611 PolarHBondContact O-N 3.45Å; L611-I613 HydrophobicContact CB-CD1 4.3Å; L611-I613 HydrophobicContact CB-CG1 4.25Å; L611-I613 PolarHBondContact O-N 2.81Å
612	G	78	Confident	71	Confident	33 Å²	33	70.3 Å²	70.3	34%	0.34	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	9.7	-178.8	0	0	0	0	0	115.2	A608 K609 D614 F616	A608-G612 PolarHBondContact O-N 3.1Å; A608-G612 VanDerWaalsContact O-N 3.1Å; K609-G612 PolarHBondContact O-N 3.29Å; G612-D614 VanDerWaalsContact C-N 3.31Å; G612-F616 WeakPolarHBondContact O-CE2 3.19Å
613	I	80.6	Confident	73	Confident	2 Å²	2	71.5 Å²	71.5	1%	0.01	37%	0.373	C	S	.	.	H	α-helix	trans	-75.3	-26.2	-178.6	-61.3	175.8	0	0	0	111.5	F222 E223 L226 I227 A608 L611 E615 F616 I617	F222-I613 HydrophobicContact CE2-CD1 4.32Å; E223-I613 HydrophobicContact CB-CD1 4.19Å; E223-I613 HydrophobicContact CG-CD1 3.96Å; L226-I613 HydrophobicContact CD1-CD1 3.7Å; I227-I613 HydrophobicContact CD1-CG2 4.4Å; I227-I613 HydrophobicContact CG1-CG2 3.92Å; A608-I613 PolarHBondContact O-N 3.28Å; L611-I613 HydrophobicContact CB-CD1 4.3Å; L611-I613 HydrophobicContact CB-CG1 4.25Å; L611-I613 PolarHBondContact O-N 2.81Å; I613-E615 PolarHBondContact O-N 2.84Å; I613-F616 PolarHBondContact O-N 2.91Å; I613-F616 VanDerWaalsContact O-N 3.1Å; I613-I617 HydrophobicContact CG2-CD1 3.91Å; I613-I617 HydrophobicContact CG2-CG1 4.38Å; I613-I617 PolarHBondContact O-N 3.15Å
614	D	80.3	Confident	74.9	Confident	23 Å²	23	66.8 Å²	66.8	12%	0.123	34%	0.343	C	S	.	.	H	α-helix	trans	-57.5	-32.9	178.9	-166.1	43.5	0	0	0	112.5	A608 K609 G612 F616 I617 Q618	A608-D614 HydrophobicContact CB-CB 4.41Å; K609-D614 WeakPolarHBondContact CE-OD2 3.46Å; K609-D614 HydrophobicContact CG-CB 3.86Å; K609-D614 VanDerWaalsContact CG-OD2 3.31Å; K609-D614 WeakPolarHBondContact CG-OD2 3.48Å; G612-D614 VanDerWaalsContact C-N 3.31Å; D614-F616 PolarHBondContact O-N 3.31Å; D614-I617 PolarHBondContact O-N 2.87Å; D614-Q618 WeakPolarHBondContact O-CB 3.44Å; D614-Q618 WeakPolarHBondContact O-CG 3.2Å; D614-Q618 PolarHBondContact O-N 2.87Å; D614-Q618 PolarHBondContact OD1-NE2 3.04Å; D614-Q618 PolarHBondContact OD2-NE2 3.08Å
615	E	85.1	Confident	76.9	Confident	146 Å²	146	67.5 Å²	67.5	68%	0.682	34%	0.342	S	S	*	.	H	α-helix	trans	-60	-44.4	175.6	-174.2	-178.5	170.4	0	0	111.8	I613 Q618 A619	I613-E615 PolarHBondContact O-N 2.84Å; E615-Q618 PolarHBondContact O-N 3.32Å; E615-A619 PolarHBondContact O-N 3.32Å
616	F	85.8	Confident	78.8	Confident	24 Å²	24	65.2 Å²	65.2	11%	0.105	33%	0.329	C	S	.	.	H	α-helix	trans	-72.6	-32.6	-179.1	-50.2	-68.3	0	0	0	112.7	K49 L52 Q53 V56 G612 I613 D614 A619	K49-F616 HydrophobicContact CB-CE1 4.03Å; K49-F616 HydrophobicContact CB-CZ 3.99Å; K49-F616 HydrophobicContact CD-CZ 4.37Å; K49-F616 HydrophobicContact CG-CE1 4.33Å; K49-F616 HydrophobicContact CG-CZ 3.81Å; L52-F616 HydrophobicContact CB-CD2 4.49Å; L52-F616 HydrophobicContact CD1-CE2 4.4Å; Q53-F616 HydrophobicContact CB-CD1 4.16Å; Q53-F616 PolarHBondContact NE2-O 3.4Å; Q53-F616 VanDerWaalsContact OE1-CA 3.26Å; V56-F616 HydrophobicContact CG2-CB 4.14Å; G612-F616 WeakPolarHBondContact O-CE2 3.19Å; I613-F616 PolarHBondContact O-N 2.91Å; I613-F616 VanDerWaalsContact O-N 3.1Å; D614-F616 PolarHBondContact O-N 3.31Å; F616-A619 WeakPolarHBondContact O-CB 3.37Å
617	I	83.7	Confident	80.3	Confident	21 Å²	21	63.1 Å²	63.1	11%	0.108	32%	0.318	C	S	.	.	H	α-helix	trans	-69.9	-40.5	177.1	-65.6	162.7	0	0	0	110.2	V56 R60 I227 A230 I613 D614	V56-I617 HydrophobicContact CG2-CG1 4.46Å; R60-I617 PolarHBondContact NH2-O 3.08Å; I227-I617 HydrophobicContact CG1-CD1 4.45Å; I227-I617 HydrophobicContact CG1-CG1 4.43Å; A230-I617 HydrophobicContact CB-CD1 3.63Å; A230-I617 HydrophobicContact CB-CG1 4.41Å; A230-I617 HydrophobicContact CB-CG2 4.07Å; I613-I617 HydrophobicContact CG2-CD1 3.91Å; I613-I617 HydrophobicContact CG2-CG1 4.38Å; I613-I617 PolarHBondContact O-N 3.15Å; D614-I617 PolarHBondContact O-N 2.87Å
618	Q	81.6	Confident	82	Confident	131 Å²	131	63.2 Å²	63.2	61%	0.612	32%	0.318	S	S	*	.	H	α-helix	trans	-84.3	-8.4	-179.3	-66.6	178.6	18.2	0	0	113.8	D614 E615 D620	D614-Q618 WeakPolarHBondContact O-CB 3.44Å; D614-Q618 WeakPolarHBondContact O-CG 3.2Å; D614-Q618 PolarHBondContact O-N 2.87Å; D614-Q618 PolarHBondContact OD1-NE2 3.04Å; D614-Q618 PolarHBondContact OD2-NE2 3.08Å; E615-Q618 PolarHBondContact O-N 3.32Å; Q618-D620 PolarHBondContact O-N 3.11Å
619	A	82.1	Confident	83.7	Confident	25 Å²	25	64.7 Å²	64.7	21%	0.207	32%	0.323	C	S	.	.	S	Bend	trans	-53.8	129	178.2	0	0	0	0	0	111.5	E615 F616 P621	E615-A619 PolarHBondContact O-N 3.32Å; F616-A619 WeakPolarHBondContact O-CB 3.37Å; A619-P621 VanDerWaalsContact O-CD 3.3Å; A619-P621 WeakPolarHBondContact O-CD 3.44Å
620	D	80.1	Confident	85.2	Confident	58 Å²	58	59.1 Å²	59.1	31%	0.31	30%	0.299	S	S	.	.			trans	-63	116.6	175.6	-178.5	-5.2	0	0	0	109.4	Q618 V622 K623 S624	Q618-D620 PolarHBondContact O-N 3.11Å; D620-V622 PolarHBondContact O-N 3Å; D620-V622 WeakPolarHBondContact OD1-CB 3.18Å; D620-V622 PolarHBondContact OD1-N 3.17Å; D620-K623 HydrophobicContact CB-CB 4.41Å; D620-K623 HydrophobicContact CB-CD 4.1Å; D620-K623 HydrophobicContact CB-CG 4.24Å; D620-K623 PolarHBondContact O-N 3.45Å; D620-K623 VanDerWaalsContact OD2-CE 3.25Å; D620-K623 WeakPolarHBondContact OD2-CE 3.1Å; D620-K623 IonicContact OD2-NZ 2.67Å; D620-S624 PolarHBondContact O-OG 3.5Å
621	P	84.7	Confident	86.5	Confident	25 Å²	25	52.4 Å²	52.4	16%	0.162	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-55.7	-34.2	178.4	-22.6	32.4	0	0	0	112.3	F57 E246 A619 K623 S624 H626 Y667	F57-P621 HydrophobicContact CE1-CB 3.97Å; F57-P621 HydrophobicContact CE1-CG 4.29Å; E246-P621 HydrophobicContact CG-CB 4.44Å; A619-P621 VanDerWaalsContact O-CD 3.3Å; A619-P621 WeakPolarHBondContact O-CD 3.44Å; P621-K623 VanDerWaalsContact C-N 3.3Å; P621-K623 PolarHBondContact O-N 3.37Å; P621-S624 WeakPolarHBondContact O-CB 3.42Å; P621-S624 PolarHBondContact O-N 3.43Å; P621-H626 PolarHBondContact O-NE2 3.38Å; P621-Y667 HydrophobicContact CB-CE1 4.42Å
622	V	82.6	Confident	87.6	Confident	29 Å²	29	50.6 Å²	50.6	18%	0.176	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-71.5	-28	-172.6	-178.4	0	0	0	0	112.2	R250 M253 D620 S624	R250-V622 HydrophobicContact CG-CG2 3.99Å; M253-V622 HydrophobicContact CB-CG1 3.82Å; M253-V622 HydrophobicContact CG-CG1 3.98Å; M253-V622 HydrophobicContact SD-CG1 3.38Å; M253-V622 WeakPolarHBondContact SD-CG1 3.39Å; D620-V622 PolarHBondContact O-N 3Å; D620-V622 WeakPolarHBondContact OD1-CB 3.18Å; D620-V622 PolarHBondContact OD1-N 3.17Å; V622-S624 VanDerWaalsContact C-N 3.3Å; V622-S624 PolarHBondContact O-N 2.86Å
623	K	83.3	Confident	88.6	Confident	175 Å²	175	49 Å²	49	76%	0.761	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-84	-3.9	-179.6	-64.8	177.7	-174.8	170.3	0	113.7	D620 P621	D620-K623 HydrophobicContact CB-CB 4.41Å; D620-K623 HydrophobicContact CB-CD 4.1Å; D620-K623 HydrophobicContact CB-CG 4.24Å; D620-K623 PolarHBondContact O-N 3.45Å; D620-K623 VanDerWaalsContact OD2-CE 3.25Å; D620-K623 WeakPolarHBondContact OD2-CE 3.1Å; D620-K623 IonicContact OD2-NZ 2.67Å; P621-K623 VanDerWaalsContact C-N 3.3Å; P621-K623 PolarHBondContact O-N 3.37Å
624	S	89.5	Confident	89.4	Confident	19 Å²	19	49 Å²	49	13%	0.133	25%	0.249	C	C	.	.	S	Bend	trans	-86.6	139	-174.8	-71	0	0	0	0	112.4	F57 D620 P621 V622 H626	F57-S624 VanDerWaalsContact CZ-OG 3.31Å; F57-S624 WeakPolarHBondContact CZ-OG 3.17Å; D620-S624 PolarHBondContact O-OG 3.5Å; P621-S624 WeakPolarHBondContact O-CB 3.42Å; P621-S624 PolarHBondContact O-N 3.43Å; V622-S624 VanDerWaalsContact C-N 3.3Å; V622-S624 PolarHBondContact O-N 2.86Å; S624-H626 VanDerWaalsContact C-N 3.26Å; S624-H626 PolarHBondContact O-CD2 3.23Å; S624-H626 PolarHBondContact O-N 3.21Å
625	P	91.6	Very high	90.2	Very high	41 Å²	41	50 Å²	50	27%	0.266	26%	0.257	S	S	.	.			trans	-78.3	71.6	177.8	33.5	-36.7	0	0	0	111.5	D627 Q628 Y629	P625-D627 PolarHBondContact O-N 2.97Å; P625-Q628 HydrophobicContact CB-CB 4.28Å; P625-Q628 HydrophobicContact CB-CG 4.24Å; P625-Q628 PolarHBondContact O-N 3.43Å; P625-Y629 HydrophobicContact CG-CD1 4.38Å; P625-Y629 HydrophobicContact CG-CE1 3.9Å; P625-Y629 HydrophobicContact CG-CE2 4.3Å; P625-Y629 PolarHBondContact O-N 2.89Å
626	H	94.9	Very high	90.8	Very high	20 Å²	20	44.5 Å²	44.5	9%	0.093	23%	0.231	C	C	.	.	H	α-helix	trans	-60.1	-27.8	-173.9	-67.5	-60.7	0	0	0	114.6	F57 P621 S624 L630 F663 Y667 V669	F57-H626 AromaticContact CE1-CE1 3.85Å; F57-H626 AromaticContact CE2-CE1 3.83Å; F57-H626 AromaticContact CZ-CE1 3.75Å; P621-H626 PolarHBondContact O-NE2 3.38Å; S624-H626 VanDerWaalsContact C-N 3.26Å; S624-H626 PolarHBondContact O-CD2 3.23Å; S624-H626 PolarHBondContact O-N 3.21Å; H626-L630 VanDerWaalsContact O-CB 3.29Å; H626-L630 WeakPolarHBondContact O-CB 3.17Å; H626-L630 PolarHBondContact O-N 3.11Å; H626-F663 HydrophobicContact CB-CE1 4.42Å; H626-Y667 AromaticContact CE1-CD1 3.53Å; H626-Y667 AromaticContact CE1-CG 3.75Å; H626-Y667 AromaticContact ND1-CG 3.78Å; H626-Y667 AromaticContact NE2-CD1 3.65Å; H626-V669 HydrophobicContact CB-CG2 3.81Å
627	D	93.7	Very high	91.4	Very high	49 Å²	49	43.3 Å²	43.3	26%	0.262	23%	0.226	S	C	.	.	H	α-helix	trans	-62.8	-43.6	173.9	66.5	-40.8	0	0	0	111.1	P625 T631 H673 K722	P625-D627 PolarHBondContact O-N 2.97Å; D627-T631 PolarHBondContact O-N 2.92Å; D627-T631 VanDerWaalsContact O-N 3.13Å; D627-T631 PolarHBondContact O-OG1 3.5Å; D627-T631 VanDerWaalsContact O-OG1 3.1Å; D627-H673 PolarHBondContact O-NE2 3.17Å; D627-K722 IonicContact OD2-NZ 2.68Å; D627-K722 PolarHBondContact OD2-NZ 2.77Å
628	Q	95	Very high	92	Very high	114 Å²	114	42.3 Å²	42.3	53%	0.533	22%	0.221	S	C	.	.	H	α-helix	trans	-72.7	-40	177.7	-59.9	174.5	33.8	0	0	112	P625 L630 T631 T632	P625-Q628 HydrophobicContact CB-CB 4.28Å; P625-Q628 HydrophobicContact CB-CG 4.24Å; P625-Q628 PolarHBondContact O-N 3.43Å; Q628-L630 VanDerWaalsContact C-N 3.34Å; Q628-T631 PolarHBondContact O-N 3.25Å; Q628-T632 PolarHBondContact O-N 2.9Å; Q628-T632 PolarHBondContact O-OG1 3.3Å; Q628-T632 VanDerWaalsContact O-OG1 3.07Å
629	Y	97.2	Very high	92.8	Very high	37 Å²	37	38.3 Å²	38.3	15%	0.145	20%	0.204	C	C	.	.	H	α-helix	trans	-62.2	-41.8	174.6	-71.1	-10.2	0	0	0	111.7	T50 Q53 I54 F57 P625 T632 L633	T50-Y629 HydrophobicContact CG2-CD1 4.21Å; T50-Y629 HydrophobicContact CG2-CE1 3.96Å; Q53-Y629 HydrophobicContact CG-CE2 3.84Å; I54-Y629 HydrophobicContact CD1-CD1 4.23Å; I54-Y629 HydrophobicContact CD1-CG 4.48Å; I54-Y629 HydrophobicContact CG1-CD1 3.9Å; I54-Y629 HydrophobicContact CG1-CD2 4.44Å; I54-Y629 HydrophobicContact CG1-CG 3.8Å; F57-Y629 HydrophobicContact CD2-CD2 4.1Å; F57-Y629 HydrophobicContact CD2-CE2 4.33Å; F57-Y629 AromaticContact CE2-CD2 3.99Å; F57-Y629 HydrophobicContact CE2-CD2 3.99Å; F57-Y629 AromaticContact CE2-CE2 3.81Å; F57-Y629 HydrophobicContact CE2-CE2 3.81Å; P625-Y629 HydrophobicContact CG-CD1 4.38Å; P625-Y629 HydrophobicContact CG-CE1 3.9Å; P625-Y629 HydrophobicContact CG-CE2 4.3Å; P625-Y629 PolarHBondContact O-N 2.89Å; Y629-T632 PolarHBondContact O-N 3.49Å; Y629-L633 VanDerWaalsContact O-CB 3.28Å; Y629-L633 WeakPolarHBondContact O-CB 3.44Å; Y629-L633 PolarHBondContact O-N 3.47Å
630	L	97.5	Very high	93.4	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-61.5	-46.3	173.6	179.6	68.9	0	0	0	111.3	H626 Q628 T632 L633 Q634 L660 F663 C664 V669 R674	H626-L630 VanDerWaalsContact O-CB 3.29Å; H626-L630 WeakPolarHBondContact O-CB 3.17Å; H626-L630 PolarHBondContact O-N 3.11Å; Q628-L630 VanDerWaalsContact C-N 3.34Å; L630-T632 VanDerWaalsContact C-N 3.29Å; L630-T632 PolarHBondContact O-N 2.93Å; L630-L633 PolarHBondContact O-N 2.97Å; L630-Q634 WeakPolarHBondContact O-CB 3.43Å; L630-Q634 PolarHBondContact O-N 3.37Å; L630-L660 HydrophobicContact CD1-CD2 4Å; L630-F663 HydrophobicContact CB-CD1 4.36Å; L630-F663 HydrophobicContact CB-CE1 4.02Å; L630-F663 HydrophobicContact CD1-CD1 3.95Å; L630-F663 HydrophobicContact CD1-CE1 4.42Å; L630-C664 WeakPolarHBondContact CD2-SG 3.5Å; L630-V669 HydrophobicContact CB-CG1 4.3Å; L630-V669 HydrophobicContact CB-CG2 4.37Å; L630-V669 HydrophobicContact CD2-CB 3.94Å; L630-V669 HydrophobicContact CD2-CG1 3.35Å; L630-V669 HydrophobicContact CD2-CG2 4.38Å; L630-V669 HydrophobicContact CG-CG1 4.45Å; L630-R674 HydrophobicContact CD2-CB 3.83Å; L630-R674 HydrophobicContact CD2-CG 4.06Å
631	T	96.6	Very high	94.1	Very high	40 Å²	40	37.8 Å²	37.8	25%	0.245	19%	0.193	C	C	.	.	H	α-helix	trans	-56.4	-46.8	178.5	-60.6	0	0	0	0	110.7	D627 Q628 Q634 V635 H673 S677	D627-T631 PolarHBondContact O-N 2.92Å; D627-T631 VanDerWaalsContact O-N 3.13Å; D627-T631 PolarHBondContact O-OG1 3.5Å; D627-T631 VanDerWaalsContact O-OG1 3.1Å; Q628-T631 PolarHBondContact O-N 3.25Å; T631-Q634 PolarHBondContact O-N 3.02Å; T631-V635 VanDerWaalsContact O-CG2 3.29Å; T631-V635 WeakPolarHBondContact O-CG2 3.46Å; T631-V635 PolarHBondContact O-N 2.77Å; T631-H673 PolarHBondContact OG1-NE2 3.43Å; T631-H673 VanDerWaalsContact OG1-NE2 3.08Å; T631-S677 PolarHBondContact OG1-OG 3.44Å
632	T	96.7	Very high	94.5	Very high	50 Å²	50	37.1 Å²	37.1	31%	0.307	19%	0.188	S	C	.	.	H	α-helix	trans	-63.2	-48.4	177.7	-53.4	0	0	0	0	111.8	I54 Q628 Y629 L630 Q634 V635 L636	I54-T632 HydrophobicContact CD1-CG2 3.79Å; Q628-T632 PolarHBondContact O-N 2.9Å; Q628-T632 PolarHBondContact O-OG1 3.3Å; Q628-T632 VanDerWaalsContact O-OG1 3.07Å; Y629-T632 PolarHBondContact O-N 3.49Å; L630-T632 VanDerWaalsContact C-N 3.29Å; L630-T632 PolarHBondContact O-N 2.93Å; T632-Q634 VanDerWaalsContact C-N 3.3Å; T632-Q634 PolarHBondContact O-N 3.34Å; T632-V635 PolarHBondContact O-N 2.86Å; T632-L636 HydrophobicContact CG2-CD1 4.12Å; T632-L636 WeakPolarHBondContact O-CG 3.33Å; T632-L636 PolarHBondContact O-N 3.03Å; T632-L636 VanDerWaalsContact O-N 3.09Å
633	L	98.1	Very high	94.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.2	-43.4	178.2	177.5	60.4	0	0	0	111.7	I54 V58 F213 L217 Y629 L630 T637 L660 F663	I54-L633 HydrophobicContact CG2-CB 4.01Å; I54-L633 HydrophobicContact CG2-CD1 4.08Å; I54-L633 HydrophobicContact CG2-CD2 4.38Å; I54-L633 HydrophobicContact CG2-CG 4.39Å; V58-L633 HydrophobicContact CG2-CD1 3.98Å; V58-L633 HydrophobicContact CG2-CD2 3.61Å; V58-L633 HydrophobicContact CG2-CG 4.46Å; F213-L633 HydrophobicContact CD1-CD1 4Å; F213-L633 HydrophobicContact CE1-CD1 3.92Å; L217-L633 HydrophobicContact CD1-CD1 3.99Å; L217-L633 HydrophobicContact CD2-CD1 4.13Å; L217-L633 HydrophobicContact CG-CD1 4.22Å; Y629-L633 VanDerWaalsContact O-CB 3.28Å; Y629-L633 WeakPolarHBondContact O-CB 3.44Å; Y629-L633 PolarHBondContact O-N 3.47Å; L630-L633 PolarHBondContact O-N 2.97Å; L633-T637 VanDerWaalsContact O-CB 3.29Å; L633-T637 WeakPolarHBondContact O-CB 2.82Å; L633-T637 PolarHBondContact O-N 3.41Å; L633-T637 PolarHBondContact O-OG1 2.92Å; L633-L660 HydrophobicContact CD2-CD2 3.86Å; L633-L660 HydrophobicContact CG-CD2 3.92Å; L633-F663 HydrophobicContact CD2-CD2 4.12Å; L633-F663 HydrophobicContact CD2-CE2 4.41Å; L633-F663 HydrophobicContact CD2-CG 4.35Å
634	Q	97.5	Very high	95.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68.5	-43.4	-177.3	-172.7	179.2	-98.3	0	0	111.8	L630 T631 T632 T637 L638 F652 L678 D681	L630-Q634 WeakPolarHBondContact O-CB 3.43Å; L630-Q634 PolarHBondContact O-N 3.37Å; T631-Q634 PolarHBondContact O-N 3.02Å; T632-Q634 VanDerWaalsContact C-N 3.3Å; T632-Q634 PolarHBondContact O-N 3.34Å; Q634-T637 PolarHBondContact O-N 3.02Å; Q634-L638 WeakPolarHBondContact O-CB 3.38Å; Q634-L638 PolarHBondContact O-N 3.4Å; Q634-F652 HydrophobicContact CG-CE2 4.21Å; Q634-F652 HydrophobicContact CG-CZ 3.8Å; Q634-L678 HydrophobicContact CG-CD1 4.16Å; Q634-L678 VanDerWaalsContact NE2-CB 3.34Å; Q634-D681 PolarHBondContact NE2-OD2 2.97Å; Q634-D681 VanDerWaalsContact NE2-OD2 3.09Å
635	V	97.4	Very high	95.1	Very high	46 Å²	46	36 Å²	36	28%	0.279	19%	0.193	S	C	.	.	H	α-helix	trans	-57.7	-51.4	174	169.8	0	0	0	0	110.4	T631 T632 T637 L638 D639 D681	T631-V635 VanDerWaalsContact O-CG2 3.29Å; T631-V635 WeakPolarHBondContact O-CG2 3.46Å; T631-V635 PolarHBondContact O-N 2.77Å; T632-V635 PolarHBondContact O-N 2.86Å; V635-T637 VanDerWaalsContact C-N 3.3Å; V635-T637 PolarHBondContact O-N 3.25Å; V635-L638 PolarHBondContact O-N 2.77Å; V635-L638 VanDerWaalsContact O-N 3.15Å; V635-D639 VanDerWaalsContact O-CG 3.31Å; V635-D639 PolarHBondContact O-N 3.25Å; V635-D681 HydrophobicContact CG2-CB 4.34Å; V635-D681 VanDerWaalsContact CG2-CG 3.47Å; V635-D681 WeakPolarHBondContact CG2-OD1 3.47Å
636	L	97.8	Very high	94.9	Very high	29 Å²	29	34.5 Å²	34.5	15%	0.152	18%	0.182	C	C	.	.	H	α-helix	trans	-63.2	-37.2	179.8	-66.4	174	0	0	0	112.2	R51 I216 L217 T632 D639 Y640	R51-L636 HydrophobicContact CG-CD1 4.44Å; I216-L636 HydrophobicContact CG2-CB 3.78Å; L217-L636 HydrophobicContact CD2-CD1 3.8Å; T632-L636 HydrophobicContact CG2-CD1 4.12Å; T632-L636 WeakPolarHBondContact O-CG 3.33Å; T632-L636 PolarHBondContact O-N 3.03Å; T632-L636 VanDerWaalsContact O-N 3.09Å; L636-D639 PolarHBondContact O-N 2.94Å; L636-Y640 WeakPolarHBondContact O-CB 3.22Å; L636-Y640 PolarHBondContact O-N 2.72Å
637	T	97.9	Very high	94.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.4	-39.3	176.4	-57	0	0	0	0	111.1	I216 L633 Q634 V635 R641 F652 Q656 L660	I216-T637 HydrophobicContact CD1-CG2 4.27Å; L633-T637 VanDerWaalsContact O-CB 3.29Å; L633-T637 WeakPolarHBondContact O-CB 2.82Å; L633-T637 PolarHBondContact O-N 3.41Å; L633-T637 PolarHBondContact O-OG1 2.92Å; Q634-T637 PolarHBondContact O-N 3.02Å; V635-T637 VanDerWaalsContact C-N 3.3Å; V635-T637 PolarHBondContact O-N 3.25Å; T637-R641 VanDerWaalsContact O-CB 3.29Å; T637-R641 WeakPolarHBondContact O-CB 3.37Å; T637-R641 PolarHBondContact O-N 3.38Å; T637-F652 HydrophobicContact CG2-CD1 3.79Å; T637-F652 HydrophobicContact CG2-CE1 3.72Å; T637-Q656 HydrophobicContact CG2-CB 3.84Å; T637-Q656 HydrophobicContact CG2-CG 3.62Å; T637-L660 HydrophobicContact CG2-CD1 4.45Å
638	L	97.2	Very high	94.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-68	-42.2	177.7	179.2	61.4	0	0	0	110.7	Q634 V635 R641 L642 F652 D681 L682 K685	Q634-L638 WeakPolarHBondContact O-CB 3.38Å; Q634-L638 PolarHBondContact O-N 3.4Å; V635-L638 PolarHBondContact O-N 2.77Å; V635-L638 VanDerWaalsContact O-N 3.15Å; L638-R641 PolarHBondContact O-N 3.39Å; L638-L642 HydrophobicContact CD1-CD1 4.02Å; L638-L642 HydrophobicContact CD1-CG 4.08Å; L638-L642 HydrophobicContact CG-CD1 3.98Å; L638-L642 HydrophobicContact CG-CG 4.44Å; L638-L642 WeakPolarHBondContact O-CG 3.25Å; L638-L642 PolarHBondContact O-N 2.79Å; L638-F652 HydrophobicContact CB-CE1 3.89Å; L638-F652 HydrophobicContact CB-CZ 4.12Å; L638-F652 HydrophobicContact CD1-CE1 4.34Å; L638-D681 HydrophobicContact CD2-CB 3.97Å; L638-L682 HydrophobicContact CD1-CD2 4.03Å; L638-L682 HydrophobicContact CD2-CD2 3.98Å; L638-L682 HydrophobicContact CD2-CG 4.45Å; L638-K685 HydrophobicContact CD2-CG 4.03Å
639	D	96.5	Very high	94.6	Very high	47 Å²	47	26.8 Å²	26.8	25%	0.251	15%	0.146	S	C	.	.	H	α-helix	trans	-60.6	-46.5	176.3	-74	5.8	0	0	0	111.5	V635 L636 R641 N643 K685	V635-D639 VanDerWaalsContact O-CG 3.31Å; V635-D639 PolarHBondContact O-N 3.25Å; L636-D639 PolarHBondContact O-N 2.94Å; D639-R641 VanDerWaalsContact C-N 3.35Å; D639-R641 PolarHBondContact O-N 3.44Å; D639-N643 WeakPolarHBondContact O-CB 3.34Å; D639-N643 VanDerWaalsContact O-CG 3.31Å; D639-N643 PolarHBondContact O-N 3.16Å; D639-N643 PolarHBondContact O-ND2 3.32Å; D639-K685 WeakPolarHBondContact OD1-CE 3.13Å; D639-K685 IonicContact OD1-NZ 3.69Å; D639-K685 PolarHBondContact OD1-NZ 3.36Å; D639-K685 IonicContact OD2-NZ 2.64Å
640	Y	95.6	Very high	94.5	Very high	68 Å²	68	25 Å²	25	27%	0.267	14%	0.139	S	C	.	.	H	α-helix	trans	-57.5	-50.4	173	-179.6	-88	0	0	0	110.6	M212 L215 I216 L636 L642 N643 E644	M212-Y640 HydrophobicContact CG-CE1 4.18Å; L215-Y640 HydrophobicContact CB-CE2 4.29Å; I216-Y640 HydrophobicContact CD1-CD1 4.13Å; I216-Y640 HydrophobicContact CD1-CG 4.16Å; I216-Y640 HydrophobicContact CG1-CD1 3.99Å; I216-Y640 HydrophobicContact CG1-CD2 3.73Å; I216-Y640 HydrophobicContact CG1-CE2 4.37Å; I216-Y640 HydrophobicContact CG1-CG 3.52Å; L636-Y640 WeakPolarHBondContact O-CB 3.22Å; L636-Y640 PolarHBondContact O-N 2.72Å; Y640-L642 PolarHBondContact O-N 3.06Å; Y640-N643 PolarHBondContact O-N 3.3Å; Y640-N643 VanDerWaalsContact O-N 3.13Å; Y640-E644 HydrophobicContact CD1-CG 4.17Å; Y640-E644 HydrophobicContact CE1-CG 3.87Å; Y640-E644 VanDerWaalsContact CE1-OE1 3.31Å; Y640-E644 WeakPolarHBondContact CE1-OE1 3.49Å; Y640-E644 WeakPolarHBondContact O-CG 3.45Å; Y640-E644 PolarHBondContact O-N 3.42Å; Y640-E644 VanDerWaalsContact O-N 3.14Å
641	R	94.1	Very high	94.3	Very high	3 Å²	3	28 Å²	28	1%	0.011	15%	0.15	C	C	.	.	H	α-helix	trans	-62.5	-36.6	-176.5	-174.8	53.2	169.2	179.6	-0	114.4	D201 T637 L638 D639 N643 E644 S648 W651	D201-R641 IonicContact OD1-CZ 2.78Å; D201-R641 IonicContact OD1-NH1 3.75Å; D201-R641 IonicContact OD1-NH2 3.12Å; D201-R641 PolarHBondContact OD1-NH2 2.78Å; T637-R641 VanDerWaalsContact O-CB 3.29Å; T637-R641 WeakPolarHBondContact O-CB 3.37Å; T637-R641 PolarHBondContact O-N 3.38Å; L638-R641 PolarHBondContact O-N 3.39Å; D639-R641 VanDerWaalsContact C-N 3.35Å; D639-R641 PolarHBondContact O-N 3.44Å; R641-N643 VanDerWaalsContact C-N 3.34Å; R641-E644 WeakPolarHBondContact CD-OE2 3.48Å; R641-E644 IonicContact CZ-OE2 3.94Å; R641-E644 IonicContact NE-OE2 3.1Å; R641-E644 IonicContact NH1-OE2 2.65Å; R641-E644 PolarHBondContact NH1-OE2 3.43Å; R641-S648 PolarHBondContact O-OG 3.3Å; R641-W651 VanDerWaalsContact CG-O 3.28Å; R641-W651 WeakPolarHBondContact CG-O 3.37Å; R641-W651 PolarHBondContact NE-O 3.48Å
642	L	93.4	Very high	94.2	Very high	11 Å²	11	26.4 Å²	26.4	6%	0.058	14%	0.14	C	C	.	.	H	α-helix	trans	-75	-26.8	177.5	-71.2	172.3	0	0	0	112.1	K80 L638 Y640 K685 Y690 I692	K80-L642 PolarHBondContact NZ-O 3.41Å; L638-L642 HydrophobicContact CD1-CD1 4.02Å; L638-L642 HydrophobicContact CD1-CG 4.08Å; L638-L642 HydrophobicContact CG-CD1 3.98Å; L638-L642 HydrophobicContact CG-CG 4.44Å; L638-L642 WeakPolarHBondContact O-CG 3.25Å; L638-L642 PolarHBondContact O-N 2.79Å; Y640-L642 PolarHBondContact O-N 3.06Å; L642-K685 HydrophobicContact CD1-CB 4.1Å; L642-K685 HydrophobicContact CD1-CD 3.98Å; L642-K685 HydrophobicContact CD1-CG 3.7Å; L642-Y690 HydrophobicContact CB-CD1 4.2Å; L642-Y690 HydrophobicContact CB-CE1 4.01Å; L642-Y690 HydrophobicContact CD1-CD1 4.12Å; L642-Y690 HydrophobicContact CD1-CE1 4.47Å; L642-Y690 HydrophobicContact CD1-CG 4.31Å; L642-Y690 HydrophobicContact CD2-CD1 4.34Å; L642-Y690 HydrophobicContact CG-CD1 4.47Å; L642-I692 HydrophobicContact CD2-CD1 4.26Å
643	N	91.3	Very high	93.9	Very high	105 Å²	105	24.1 Å²	24.1	56%	0.561	13%	0.126	S	C	*	.	H	α-helix	trans	-85.6	-15	179.3	-72	-41.1	0	0	0	113.8	D639 Y640 R641	D639-N643 WeakPolarHBondContact O-CB 3.34Å; D639-N643 VanDerWaalsContact O-CG 3.31Å; D639-N643 PolarHBondContact O-N 3.16Å; D639-N643 PolarHBondContact O-ND2 3.32Å; Y640-N643 PolarHBondContact O-N 3.3Å; Y640-N643 VanDerWaalsContact O-N 3.13Å; R641-N643 VanDerWaalsContact C-N 3.34Å
644	E	89.9	Confident	93.5	Very high	26 Å²	26	24.4 Å²	24.4	12%	0.121	13%	0.128	C	C	.	.	S	Bend	trans	-59.3	159.3	171.9	-69.5	-173.5	118.2	0	0	112.9	K80 T200 Y640 R641 I646	K80-E644 WeakPolarHBondContact CE-O 3.25Å; K80-E644 PolarHBondContact NZ-O 3.07Å; T200-E644 WeakPolarHBondContact CG2-OE1 3.26Å; Y640-E644 HydrophobicContact CD1-CG 4.17Å; Y640-E644 HydrophobicContact CE1-CG 3.87Å; Y640-E644 VanDerWaalsContact CE1-OE1 3.31Å; Y640-E644 WeakPolarHBondContact CE1-OE1 3.49Å; Y640-E644 WeakPolarHBondContact O-CG 3.45Å; Y640-E644 PolarHBondContact O-N 3.42Å; Y640-E644 VanDerWaalsContact O-N 3.14Å; R641-E644 WeakPolarHBondContact CD-OE2 3.48Å; R641-E644 IonicContact CZ-OE2 3.94Å; R641-E644 IonicContact NE-OE2 3.1Å; R641-E644 IonicContact NH1-OE2 2.65Å; R641-E644 PolarHBondContact NH1-OE2 3.43Å; E644-I646 HydrophobicContact CB-CG1 3.94Å; E644-I646 PolarHBondContact O-N 2.95Å
645	S	86.2	Confident	93.3	Very high	70 Å²	70	24.4 Å²	24.4	49%	0.49	13%	0.128	S	C	.	.	S	Bend	trans	-73.3	13.6	-177.9	64.5	0	0	0	0	114.9	G79 K80 A197	G79-S645 WeakPolarHBondContact CA-O 3.32Å; K80-S645 PolarHBondContact N-O 3.16Å; A197-S645 WeakPolarHBondContact CB-OG 3.46Å
646	I	89	Confident	93.1	Very high	8 Å²	8	22.2 Å²	22.2	4%	0.041	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-113.7	152.3	-177	58.1	142.3	0	0	0	111.3	R77 R78 E644 S648	R77-I646 HydrophobicContact CB-CD1 4.18Å; R78-I646 CarbonylContact O-C 3.51Å; R78-I646 WeakPolarHBondContact O-CA 3.29Å; E644-I646 HydrophobicContact CB-CG1 3.94Å; E644-I646 PolarHBondContact O-N 2.95Å; I646-S648 VanDerWaalsContact C-N 3.33Å; I646-S648 PolarHBondContact O-N 3.23Å
647	C	90.8	Very high	92.9	Very high	8 Å²	8	22.1 Å²	22.1	5%	0.054	11%	0.113	C	C	.	.			trans	-82.1	80.9	175.8	-171.1	0	0	0	0	108.9	R78 K80 G133 G134	R78-C647 PolarHBondContact O-N 3.34Å; K80-C647 HydrophobicContact CB-CB 3.91Å; G133-C647 PolarHBondContact O-SG 2.75Å; G133-C647 VanDerWaalsContact O-SG 3.4Å; G134-C647 VanDerWaalsContact C-SG 3.52Å; G134-C647 PolarHBondContact O-SG 2.98Å; G134-C647 VanDerWaalsContact O-SG 3.4Å
648	S	91.8	Very high	92.8	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.021	11%	0.114	C	C	.	.			trans	-78.7	-28.2	-175.1	61	0	0	0	0	113.4	R641 I646 G650 W651	R641-S648 PolarHBondContact O-OG 3.3Å; I646-S648 VanDerWaalsContact C-N 3.33Å; I646-S648 PolarHBondContact O-N 3.23Å; S648-G650 PolarHBondContact O-N 3.44Å; S648-G650 VanDerWaalsContact O-N 3.12Å; S648-W651 WeakPolarHBondContact O-CB 3.26Å; S648-W651 PolarHBondContact O-N 3.2Å
649	L	94.1	Very high	92.7	Very high	11 Å²	11	22.3 Å²	22.3	6%	0.058	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	32.2	-175.9	-56.3	174.4	0	0	0	113.2	M691 D693 P754	L649-M691 HydrophobicContact CD2-CB 4.22Å; L649-M691 HydrophobicContact CD2-CG 4.07Å; L649-M691 HydrophobicContact CD2-SD 4.48Å; L649-D693 HydrophobicContact CB-CB 3.79Å; L649-D693 HydrophobicContact CD1-CB 4.41Å; L649-D693 PolarHBondContact O-N 3.47Å; L649-P754 HydrophobicContact CD1-CB 4.18Å; L649-P754 HydrophobicContact CD1-CG 3.93Å; L649-P754 HydrophobicContact CD2-CG 4.27Å
650	G	94.5	Very high	92.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	-8.4	-177.7	0	0	0	0	0	115.7	S648 F652 L696	S648-G650 PolarHBondContact O-N 3.44Å; S648-G650 VanDerWaalsContact O-N 3.12Å; G650-F652 PolarHBondContact O-N 2.88Å; G650-L696 VanDerWaalsContact O-CD2 3.28Å; G650-L696 WeakPolarHBondContact O-CD2 3.46Å
651	W	94.4	Very high	92.7	Very high	62 Å²	62	18.4 Å²	18.4	24%	0.235	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-74.9	125.6	179.1	-68.8	85.7	0	0	0	112.1	R77 R641 S648 D693 T695 L696	R77-W651 VanDerWaalsContact NH2-CG 3.34Å; R641-W651 VanDerWaalsContact CG-O 3.28Å; R641-W651 WeakPolarHBondContact CG-O 3.37Å; R641-W651 PolarHBondContact NE-O 3.48Å; S648-W651 WeakPolarHBondContact O-CB 3.26Å; S648-W651 PolarHBondContact O-N 3.2Å; W651-D693 PolarHBondContact NE1-OD2 2.97Å; W651-T695 HydrophobicContact CZ2-CG2 4.43Å; W651-L696 HydrophobicContact CD2-CB 4.35Å; W651-L696 HydrophobicContact CD2-CD1 4.12Å; W651-L696 HydrophobicContact CD2-CD2 4.38Å; W651-L696 HydrophobicContact CE3-CD1 3.96Å; W651-L696 HydrophobicContact CG-CD2 4.33Å; W651-L696 HydrophobicContact CH2-CB 4.43Å; W651-L696 HydrophobicContact CH2-CD1 4.11Å; W651-L696 HydrophobicContact CZ2-CB 3.82Å; W651-L696 HydrophobicContact CZ2-CD1 4.28Å; W651-L696 HydrophobicContact CZ3-CD1 3.94Å
652	F	94.1	Very high	92.7	Very high	8 Å²	8	18.3 Å²	18.3	4%	0.035	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-62.9	152.4	169.1	-65.3	-53.8	0	0	0	112.4	M74 Q634 T637 L638 G650 Q656 M657 L660 L678	M74-F652 WeakPolarHBondContact CE-O 3.5Å; Q634-F652 HydrophobicContact CG-CE2 4.21Å; Q634-F652 HydrophobicContact CG-CZ 3.8Å; T637-F652 HydrophobicContact CG2-CD1 3.79Å; T637-F652 HydrophobicContact CG2-CE1 3.72Å; L638-F652 HydrophobicContact CB-CE1 3.89Å; L638-F652 HydrophobicContact CB-CZ 4.12Å; L638-F652 HydrophobicContact CD1-CE1 4.34Å; G650-F652 PolarHBondContact O-N 2.88Å; F652-Q656 HydrophobicContact CB-CB 4Å; F652-Q656 HydrophobicContact CD1-CB 4.39Å; F652-Q656 HydrophobicContact CG-CB 4.47Å; F652-M657 HydrophobicContact CB-CG 3.74Å; F652-M657 HydrophobicContact CB-SD 3.89Å; F652-M657 HydrophobicContact CD2-SD 3.82Å; F652-M657 HydrophobicContact CG-SD 4.32Å; F652-L660 HydrophobicContact CD2-CD1 4Å; F652-L660 HydrophobicContact CE1-CD1 4.46Å; F652-L660 HydrophobicContact CE2-CD1 3.9Å; F652-L660 HydrophobicContact CG-CD1 4.34Å; F652-L660 HydrophobicContact CZ-CD1 4.15Å; F652-L678 HydrophobicContact CE2-CD1 3.62Å; F652-L678 HydrophobicContact CE2-CD2 4.04Å; F652-L678 HydrophobicContact CE2-CG 4.49Å; F652-L678 HydrophobicContact CZ-CD1 3.77Å
653	S	91.4	Very high	92.9	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.007	10%	0.095	C	C	.	.	P	Polyproline II helix	trans	-71.9	161.8	170.8	79.3	0	0	0	0	111.6	T200 A655 Q656 M657	T200-S653 WeakPolarHBondContact O-CB 3.47Å; S653-A655 PolarHBondContact O-N 3.31Å; S653-A655 PolarHBondContact OG-N 3.29Å; S653-Q656 PolarHBondContact O-N 2.98Å; S653-Q656 WeakPolarHBondContact OG-CG 3.41Å; S653-Q656 PolarHBondContact OG-N 2.89Å; S653-Q656 VanDerWaalsContact OG-N 3.13Å; S653-M657 WeakPolarHBondContact O-CB 3.49Å; S653-M657 WeakPolarHBondContact O-CG 3.41Å; S653-M657 PolarHBondContact O-N 3.46Å
654	P	89.6	Confident	93	Very high	6 Å²	6	13.3 Å²	13.3	4%	0.039	7%	0.072	C	C	.	.	H	α-helix	trans	-54.5	-38.5	173.8	-25.7	34.4	0	0	0	113.5	P71 M74 F658	P71-P654 WeakPolarHBondContact CD-O 3.45Å; P71-P654 WeakPolarHBondContact O-CB 3.37Å; M74-P654 HydrophobicContact CB-CG 4.21Å; M74-P654 HydrophobicContact CG-CG 4.39Å; M74-P654 HydrophobicContact SD-CB 4.08Å; M74-P654 HydrophobicContact SD-CG 3.8Å; P654-F658 WeakPolarHBondContact O-CB 3.45Å; P654-F658 PolarHBondContact O-N 2.96Å
655	A	91.8	Very high	93.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-67.9	-43.8	177.8	0	0	0	0	0	112.6	M204 L209 M212 S653 F658 V659	M204-A655 HydrophobicContact CB-CB 4.27Å; M204-A655 HydrophobicContact CG-CB 4.04Å; M204-A655 HydrophobicContact SD-CB 3.39Å; M204-A655 WeakPolarHBondContact SD-CB 3.22Å; L209-A655 HydrophobicContact CD2-CB 3.59Å; M212-A655 HydrophobicContact CE-CB 4.08Å; S653-A655 PolarHBondContact O-N 3.31Å; S653-A655 PolarHBondContact OG-N 3.29Å; A655-F658 PolarHBondContact O-N 2.96Å; A655-V659 PolarHBondContact O-N 3.17Å
656	Q	94.8	Very high	93.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-63.6	-46.8	175.5	-72.1	170.3	-22.1	0	0	111	M212 T637 F652 S653 F658 V659 L660	M212-Q656 HydrophobicContact CE-CG 3.78Å; M212-Q656 HydrophobicContact SD-CG 4.01Å; T637-Q656 HydrophobicContact CG2-CB 3.84Å; T637-Q656 HydrophobicContact CG2-CG 3.62Å; F652-Q656 HydrophobicContact CB-CB 4Å; F652-Q656 HydrophobicContact CD1-CB 4.39Å; F652-Q656 HydrophobicContact CG-CB 4.47Å; S653-Q656 PolarHBondContact O-N 2.98Å; S653-Q656 WeakPolarHBondContact OG-CG 3.41Å; S653-Q656 PolarHBondContact OG-N 2.89Å; S653-Q656 VanDerWaalsContact OG-N 3.13Å; Q656-F658 VanDerWaalsContact C-N 3.33Å; Q656-F658 PolarHBondContact O-N 3.37Å; Q656-V659 PolarHBondContact O-N 2.81Å; Q656-L660 WeakPolarHBondContact O-CB 3.33Å; Q656-L660 VanDerWaalsContact O-CG 3.29Å; Q656-L660 WeakPolarHBondContact O-CG 3.32Å; Q656-L660 PolarHBondContact O-N 3.35Å
657	M	93.5	Very high	93.4	Very high	27 Å²	27	10.6 Å²	10.6	13%	0.133	6%	0.056	C	C	.	.	H	α-helix	trans	-57.7	-45.2	175.5	-77.2	-62.5	-64.6	0	0	111.7	M74 F323 F652 S653 V659 L660 D661 R674	M74-M657 HydrophobicContact CE-CG 4.36Å; M74-M657 HydrophobicContact SD-CG 4.48Å; F323-M657 HydrophobicContact CZ-CE 4.25Å; F652-M657 HydrophobicContact CB-CG 3.74Å; F652-M657 HydrophobicContact CB-SD 3.89Å; F652-M657 HydrophobicContact CD2-SD 3.82Å; F652-M657 HydrophobicContact CG-SD 4.32Å; S653-M657 WeakPolarHBondContact O-CB 3.49Å; S653-M657 WeakPolarHBondContact O-CG 3.41Å; S653-M657 PolarHBondContact O-N 3.46Å; M657-V659 PolarHBondContact O-N 3.3Å; M657-L660 PolarHBondContact O-N 3.25Å; M657-D661 VanDerWaalsContact O-CB 3.22Å; M657-D661 WeakPolarHBondContact O-CB 3.47Å; M657-D661 PolarHBondContact O-N 3.35Å; M657-R674 VanDerWaalsContact CE-NH2 3.28Å
658	F	94.3	Very high	93.3	Very high	5 Å²	5	12.4 Å²	12.4	2%	0.022	7%	0.065	C	C	.	.	H	α-helix	trans	-55.8	-50.4	177.4	158.6	-110.4	0	0	0	112.7	H65 A68 Q70 L209 P654 A655 Q656 D661 E662	H65-F658 HydrophobicContact CB-CE2 3.79Å; H65-F658 HydrophobicContact CB-CZ 3.58Å; H65-F658 AromaticContact CD2-CZ 3.8Å; H65-F658 AromaticContact CG-CE2 3.91Å; H65-F658 AromaticContact CG-CZ 3.63Å; A68-F658 HydrophobicContact CB-CD2 3.82Å; A68-F658 HydrophobicContact CB-CE2 4.17Å; A68-F658 WeakPolarHBondContact O-CE2 3.45Å; Q70-F658 HydrophobicContact CB-CB 4.43Å; Q70-F658 HydrophobicContact CG-CB 3.61Å; Q70-F658 HydrophobicContact CG-CD1 3.93Å; Q70-F658 HydrophobicContact CG-CD2 4.37Å; Q70-F658 HydrophobicContact CG-CG 3.69Å; L209-F658 HydrophobicContact CD1-CD1 3.85Å; L209-F658 HydrophobicContact CD1-CE1 3.54Å; P654-F658 WeakPolarHBondContact O-CB 3.45Å; P654-F658 PolarHBondContact O-N 2.96Å; A655-F658 PolarHBondContact O-N 2.96Å; Q656-F658 VanDerWaalsContact C-N 3.33Å; Q656-F658 PolarHBondContact O-N 3.37Å; F658-D661 PolarHBondContact O-N 3.24Å; F658-E662 HydrophobicContact CE2-CB 4.48Å; F658-E662 WeakPolarHBondContact O-CB 3.39Å; F658-E662 PolarHBondContact O-N 2.67Å
659	V	95.7	Very high	93.3	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-68.3	-39.9	-178.4	173	0	0	0	0	111.1	V58 I62 L209 F213 A655 Q656 M657 F663	V58-V659 HydrophobicContact CG1-CG1 3.79Å; V58-V659 HydrophobicContact CG2-CG1 4.46Å; I62-V659 HydrophobicContact CG1-CG2 4.02Å; L209-V659 HydrophobicContact CD2-CG2 4.33Å; F213-V659 HydrophobicContact CD1-CG1 4.47Å; F213-V659 HydrophobicContact CD2-CB 4.31Å; F213-V659 HydrophobicContact CD2-CG1 4.14Å; F213-V659 HydrophobicContact CD2-CG2 4.01Å; F213-V659 HydrophobicContact CE1-CB 4.42Å; F213-V659 HydrophobicContact CE1-CG1 3.98Å; F213-V659 HydrophobicContact CE2-CB 3.41Å; F213-V659 VanDerWaalsContact CE2-CB 3.41Å; F213-V659 HydrophobicContact CE2-CG1 3.6Å; F213-V659 HydrophobicContact CE2-CG2 3.35Å; F213-V659 HydrophobicContact CZ-CB 3.48Å; F213-V659 VanDerWaalsContact CZ-CB 3.48Å; F213-V659 HydrophobicContact CZ-CG1 3.52Å; F213-V659 HydrophobicContact CZ-CG2 4Å; A655-V659 PolarHBondContact O-N 3.17Å; Q656-V659 PolarHBondContact O-N 2.81Å; M657-V659 PolarHBondContact O-N 3.3Å; V659-F663 WeakPolarHBondContact O-CB 3.33Å; V659-F663 PolarHBondContact O-N 2.84Å
660	L	96.7	Very high	93.2	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.7	-40.3	175.5	-67.8	173.5	0	0	0	111.9	L630 L633 T637 F652 Q656 M657 F663 C664	L630-L660 HydrophobicContact CD1-CD2 4Å; L633-L660 HydrophobicContact CD2-CD2 3.86Å; L633-L660 HydrophobicContact CG-CD2 3.92Å; T637-L660 HydrophobicContact CG2-CD1 4.45Å; F652-L660 HydrophobicContact CD2-CD1 4Å; F652-L660 HydrophobicContact CE1-CD1 4.46Å; F652-L660 HydrophobicContact CE2-CD1 3.9Å; F652-L660 HydrophobicContact CG-CD1 4.34Å; F652-L660 HydrophobicContact CZ-CD1 4.15Å; Q656-L660 WeakPolarHBondContact O-CB 3.33Å; Q656-L660 VanDerWaalsContact O-CG 3.29Å; Q656-L660 WeakPolarHBondContact O-CG 3.32Å; Q656-L660 PolarHBondContact O-N 3.35Å; M657-L660 PolarHBondContact O-N 3.25Å; L660-F663 PolarHBondContact O-N 3.42Å; L660-C664 WeakPolarHBondContact O-CB 3.39Å; L660-C664 PolarHBondContact O-N 3.41Å; L660-C664 PolarHBondContact O-SG 3.27Å
661	D	95	Very high	93	Very high	33 Å²	33	15 Å²	15	18%	0.176	8%	0.081	C	C	.	.	H	α-helix	trans	-67.3	-45.5	177.6	-73.1	-10.9	0	0	0	111.1	A68 M657 F658 F663 C664 A665 R674	A68-D661 HydrophobicContact CB-CB 3.81Å; M657-D661 VanDerWaalsContact O-CB 3.22Å; M657-D661 WeakPolarHBondContact O-CB 3.47Å; M657-D661 PolarHBondContact O-N 3.35Å; F658-D661 PolarHBondContact O-N 3.24Å; D661-F663 VanDerWaalsContact C-N 3.33Å; D661-C664 PolarHBondContact O-N 3.42Å; D661-A665 VanDerWaalsContact O-CB 3.25Å; D661-A665 WeakPolarHBondContact O-CB 3.13Å; D661-A665 PolarHBondContact O-N 2.84Å; D661-R674 IonicContact OD1-CZ 3.83Å; D661-R674 IonicContact OD1-NH1 2.82Å; D661-R674 PolarHBondContact OD1-NH1 2.87Å; D661-R674 IonicContact OD1-NH2 2.87Å; D661-R674 PolarHBondContact OD1-NH2 3.11Å
662	E	94.9	Very high	92.9	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.1	-42.5	174.4	-173.4	63.8	-147.9	0	0	110.3	C61 H65 F66 N67 A68 F658 R666	C61-E662 HydrophobicContact CB-CB 4.13Å; C61-E662 HydrophobicContact CB-CG 3.69Å; H65-E662 HydrophobicContact CB-CG 4.13Å; F66-E662 PolarHBondContact N-OE1 2.71Å; F66-E662 PolarHBondContact N-OE2 3.34Å; N67-E662 WeakPolarHBondContact CA-OE2 3.4Å; N67-E662 WeakPolarHBondContact CB-OE2 3.48Å; N67-E662 PolarHBondContact N-OE2 2.86Å; N67-E662 PolarHBondContact ND2-OE1 2.9Å; A68-E662 HydrophobicContact CB-CB 4.06Å; A68-E662 PolarHBondContact N-OE2 3.11Å; F658-E662 HydrophobicContact CE2-CB 4.48Å; F658-E662 WeakPolarHBondContact O-CB 3.39Å; F658-E662 PolarHBondContact O-N 2.67Å; E662-R666 WeakPolarHBondContact O-CA 3.24Å; E662-R666 WeakPolarHBondContact O-CB 3.47Å; E662-R666 PolarHBondContact O-N 3.25Å
663	F	96.3	Very high	92.9	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.8	-47.3	177	-172.3	-77.5	0	0	0	111.5	F57 V58 C61 H626 L630 L633 V659 L660 D661 Y667 V669	F57-F663 HydrophobicContact CB-CD2 4.35Å; F57-F663 HydrophobicContact CB-CE2 3.63Å; F57-F663 HydrophobicContact CB-CZ 4.45Å; V58-F663 HydrophobicContact CG2-CD2 4.28Å; C61-F663 VanDerWaalsContact SG-CA 3.58Å; H626-F663 HydrophobicContact CB-CE1 4.42Å; L630-F663 HydrophobicContact CB-CD1 4.36Å; L630-F663 HydrophobicContact CB-CE1 4.02Å; L630-F663 HydrophobicContact CD1-CD1 3.95Å; L630-F663 HydrophobicContact CD1-CE1 4.42Å; L633-F663 HydrophobicContact CD2-CD2 4.12Å; L633-F663 HydrophobicContact CD2-CE2 4.41Å; L633-F663 HydrophobicContact CD2-CG 4.35Å; V659-F663 WeakPolarHBondContact O-CB 3.33Å; V659-F663 PolarHBondContact O-N 2.84Å; L660-F663 PolarHBondContact O-N 3.42Å; D661-F663 VanDerWaalsContact C-N 3.33Å; F663-Y667 HydrophobicContact CB-CD2 4.49Å; F663-Y667 AromaticContact CD1-CD2 3.98Å; F663-Y667 HydrophobicContact CD1-CD2 3.98Å; F663-Y667 AromaticContact CD2-CD2 3.66Å; F663-Y667 HydrophobicContact CD2-CD2 3.66Å; F663-Y667 AromaticContact CD2-CE2 3.78Å; F663-Y667 HydrophobicContact CD2-CE2 3.78Å; F663-Y667 HydrophobicContact CE1-CD2 4.03Å; F663-Y667 AromaticContact CE2-CD2 3.74Å; F663-Y667 HydrophobicContact CE2-CD2 3.74Å; F663-Y667 AromaticContact CE2-CE2 3.92Å; F663-Y667 HydrophobicContact CE2-CE2 3.92Å; F663-Y667 AromaticContact CG-CD2 3.79Å; F663-Y667 HydrophobicContact CG-CD2 3.79Å; F663-Y667 HydrophobicContact CG-CE2 4.29Å; F663-Y667 AromaticContact CZ-CD2 3.91Å; F663-Y667 HydrophobicContact CZ-CD2 3.91Å; F663-Y667 HydrophobicContact CZ-CE2 4.49Å; F663-Y667 WeakPolarHBondContact O-CB 3.46Å; F663-Y667 VanDerWaalsContact O-CD2 3.31Å; F663-Y667 WeakPolarHBondContact O-CD2 3.39Å; F663-Y667 PolarHBondContact O-N 2.97Å; F663-V669 HydrophobicContact CD1-CG2 4.39Å; F663-V669 HydrophobicContact CE1-CG2 4.17Å
664	C	94.9	Very high	93.1	Very high	12 Å²	12	14.4 Å²	14.4	8%	0.081	8%	0.079	C	C	.	.	H	α-helix	trans	-66	-47.2	-179.7	-66.2	0	0	0	0	111.8	L630 L660 D661 M668 V669	L630-C664 WeakPolarHBondContact CD2-SG 3.5Å; L660-C664 WeakPolarHBondContact O-CB 3.39Å; L660-C664 PolarHBondContact O-N 3.41Å; L660-C664 PolarHBondContact O-SG 3.27Å; D661-C664 PolarHBondContact O-N 3.42Å; C664-M668 CarbonylContact O-C 3.53Å; C664-M668 WeakPolarHBondContact O-CA 3.3Å; C664-M668 PolarHBondContact O-N 3.03Å; C664-V669 HydrophobicContact CB-CB 4.33Å; C664-V669 PolarHBondContact O-N 3.44Å
665	A	91.3	Very high	93.3	Very high	32 Å²	32	14.8 Å²	14.8	26%	0.264	8%	0.081	S	C	.	.	H	α-helix	trans	-66.5	-47.9	-179.6	0	0	0	0	0	110.7	N67 L287 D661	N67-A665 HydrophobicContact CB-CB 3.63Å; L287-A665 WeakPolarHBondContact CD2-O 3.46Å; D661-A665 VanDerWaalsContact O-CB 3.25Å; D661-A665 WeakPolarHBondContact O-CB 3.13Å; D661-A665 PolarHBondContact O-N 2.84Å
666	R	90.3	Very high	93.6	Very high	5 Å²	5	14.9 Å²	14.9	2%	0.019	8%	0.082	C	C	.	.	H	α-helix	trans	-58.9	-62.1	175.8	-171.3	171.8	-173.2	142.9	1.5	108.5	R60 Y64 E246 R250 E662 M668	R60-R666 PolarHBondContact O-NH1 3.02Å; Y64-R666 PolarHBondContact O-NH1 3.36Å; Y64-R666 VanDerWaalsContact O-NH1 3.16Å; E246-R666 IonicContact OE1-NE 3.81Å; E246-R666 IonicContact OE2-CZ 2.91Å; E246-R666 VanDerWaalsContact OE2-CZ 3.3Å; E246-R666 IonicContact OE2-NE 3.12Å; E246-R666 PolarHBondContact OE2-NE 3.03Å; E246-R666 IonicContact OE2-NH2 3.03Å; E246-R666 PolarHBondContact OE2-NH2 2.91Å; R250-R666 PolarHBondContact NH1-O 3.43Å; R250-R666 PolarHBondContact NH2-O 2.8Å; E662-R666 WeakPolarHBondContact O-CA 3.24Å; E662-R666 WeakPolarHBondContact O-CB 3.47Å; E662-R666 PolarHBondContact O-N 3.25Å; R666-M668 VanDerWaalsContact C-N 3.28Å; R666-M668 PolarHBondContact O-N 2.84Å
667	Y	91.7	Very high	93.6	Very high	9 Å²	9	15.3 Å²	15.3	4%	0.035	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	18.4	-172	-57.3	-65	0	0	0	115.7	F57 E246 P621 H626 F663 V669	F57-Y667 HydrophobicContact CB-CD2 4.5Å; F57-Y667 HydrophobicContact CB-CE2 3.69Å; F57-Y667 AromaticContact CD1-CE1 3.73Å; F57-Y667 HydrophobicContact CD1-CE1 3.73Å; F57-Y667 HydrophobicContact CD1-CE2 4.23Å; F57-Y667 AromaticContact CD1-CZ 3.56Å; F57-Y667 HydrophobicContact CE1-CE1 4.28Å; F57-Y667 HydrophobicContact CG-CE1 4.48Å; F57-Y667 HydrophobicContact CG-CE2 4.27Å; F57-Y667 PolarHBondContact O-OH 2.87Å; E246-Y667 WeakPolarHBondContact OE1-CD1 3.44Å; E246-Y667 WeakPolarHBondContact OE1-CE1 3.5Å; P621-Y667 HydrophobicContact CB-CE1 4.42Å; H626-Y667 AromaticContact CE1-CD1 3.53Å; H626-Y667 AromaticContact CE1-CG 3.75Å; H626-Y667 AromaticContact ND1-CG 3.78Å; H626-Y667 AromaticContact NE2-CD1 3.65Å; F663-Y667 HydrophobicContact CB-CD2 4.49Å; F663-Y667 AromaticContact CD1-CD2 3.98Å; F663-Y667 HydrophobicContact CD1-CD2 3.98Å; F663-Y667 AromaticContact CD2-CD2 3.66Å; F663-Y667 HydrophobicContact CD2-CD2 3.66Å; F663-Y667 AromaticContact CD2-CE2 3.78Å; F663-Y667 HydrophobicContact CD2-CE2 3.78Å; F663-Y667 HydrophobicContact CE1-CD2 4.03Å; F663-Y667 AromaticContact CE2-CD2 3.74Å; F663-Y667 HydrophobicContact CE2-CD2 3.74Å; F663-Y667 AromaticContact CE2-CE2 3.92Å; F663-Y667 HydrophobicContact CE2-CE2 3.92Å; F663-Y667 AromaticContact CG-CD2 3.79Å; F663-Y667 HydrophobicContact CG-CD2 3.79Å; F663-Y667 HydrophobicContact CG-CE2 4.29Å; F663-Y667 AromaticContact CZ-CD2 3.91Å; F663-Y667 HydrophobicContact CZ-CD2 3.91Å; F663-Y667 HydrophobicContact CZ-CE2 4.49Å; F663-Y667 WeakPolarHBondContact O-CB 3.46Å; F663-Y667 VanDerWaalsContact O-CD2 3.31Å; F663-Y667 WeakPolarHBondContact O-CD2 3.39Å; F663-Y667 PolarHBondContact O-N 2.97Å; Y667-V669 PolarHBondContact O-N 2.93Å
668	M	88.5	Confident	93.8	Very high	47 Å²	47	14.5 Å²	14.5	23%	0.232	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	32.2	175.2	-51.2	-169.8	69.2	0	0	114.5	V280 I284 C664 R666 R670	V280-M668 HydrophobicContact CB-CE 4.16Å; V280-M668 HydrophobicContact CG1-CE 3.34Å; V280-M668 HydrophobicContact CG1-SD 4.2Å; I284-M668 HydrophobicContact CD1-SD 4.4Å; I284-M668 HydrophobicContact CG1-CE 3.97Å; I284-M668 HydrophobicContact CG1-SD 3.92Å; C664-M668 CarbonylContact O-C 3.53Å; C664-M668 WeakPolarHBondContact O-CA 3.3Å; C664-M668 PolarHBondContact O-N 3.03Å; R666-M668 VanDerWaalsContact C-N 3.28Å; R666-M668 PolarHBondContact O-N 2.84Å; M668-R670 PolarHBondContact O-N 2.83Å
669	V	92.2	Very high	94	Very high	13 Å²	13	14.3 Å²	14.3	8%	0.079	8%	0.08	C	C	.	.			trans	-74	119.1	174.6	-170.9	0	0	0	0	108.8	H626 L630 F663 C664 Y667 G671	H626-V669 HydrophobicContact CB-CG2 3.81Å; L630-V669 HydrophobicContact CB-CG1 4.3Å; L630-V669 HydrophobicContact CB-CG2 4.37Å; L630-V669 HydrophobicContact CD2-CB 3.94Å; L630-V669 HydrophobicContact CD2-CG1 3.35Å; L630-V669 HydrophobicContact CD2-CG2 4.38Å; L630-V669 HydrophobicContact CG-CG1 4.45Å; F663-V669 HydrophobicContact CD1-CG2 4.39Å; F663-V669 HydrophobicContact CE1-CG2 4.17Å; C664-V669 HydrophobicContact CB-CB 4.33Å; C664-V669 PolarHBondContact O-N 3.44Å; Y667-V669 PolarHBondContact O-N 2.93Å; V669-G671 PolarHBondContact O-N 3.47Å
670	R	90.8	Very high	94	Very high	35 Å²	35	15.2 Å²	15.2	13%	0.132	9%	0.085	C	C	.	.			trans	-59.5	136	-177	-67.3	174	65.1	92.8	-6.2	110.7	E279 M668 C672 H673 R674 H707 T718 E723	E279-R670 IonicContact OE1-CZ 3.54Å; E279-R670 IonicContact OE1-NH1 3.3Å; E279-R670 PolarHBondContact OE1-NH1 2.85Å; E279-R670 IonicContact OE1-NH2 3.71Å; E279-R670 IonicContact OE2-CZ 3.65Å; E279-R670 IonicContact OE2-NH1 3.49Å; E279-R670 PolarHBondContact OE2-NH1 3.08Å; E279-R670 IonicContact OE2-NH2 2.77Å; M668-R670 PolarHBondContact O-N 2.83Å; R670-C672 PolarHBondContact O-N 3.19Å; R670-C672 VanDerWaalsContact O-N 3.15Å; R670-H673 WeakPolarHBondContact O-CB 3.13Å; R670-H673 PolarHBondContact O-N 2.98Å; R670-H673 VanDerWaalsContact O-N 3.14Å; R670-R674 PolarHBondContact O-N 3.27Å; R670-H707 PolarHBondContact NH2-CE1 3.04Å; R670-H707 VanDerWaalsContact NH2-CE1 3.26Å; R670-H707 PolarHBondContact NH2-NE2 2.72Å; R670-T718 PolarHBondContact NH1-OG1 3.19Å; R670-T718 VanDerWaalsContact NH1-OG1 3.15Å; R670-T718 PolarHBondContact NH2-O 3.06Å; R670-T718 PolarHBondContact NH2-OG1 3.16Å; R670-E723 WeakPolarHBondContact CD-OE1 3.42Å; R670-E723 IonicContact CZ-OE1 2.66Å; R670-E723 IonicContact NE-OE1 3.21Å; R670-E723 PolarHBondContact NE-OE1 3.43Å; R670-E723 IonicContact NE-OE2 2.96Å; R670-E723 IonicContact NH2-OE1 3.66Å; R670-E723 IonicContact NH2-OE2 2.64Å
671	G	90.5	Very high	94.1	Very high	21 Å²	21	15.7 Å²	15.7	22%	0.216	9%	0.088	C	C	.	.	H	α-helix	trans	-58.9	-29.3	-179.4	0	0	0	0	0	113.9	V669 N675 F703	V669-G671 PolarHBondContact O-N 3.47Å; G671-N675 PolarHBondContact O-N 3.38Å; G671-N675 PolarHBondContact O-ND2 3.02Å; G671-F703 VanDerWaalsContact O-CE1 3.31Å; G671-F703 WeakPolarHBondContact O-CE1 3.35Å
672	C	92	Very high	94.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-67.6	-48.2	176.9	-174.7	0	0	0	0	110.9	R670 R674 N675 V676 H707 E723	R670-C672 PolarHBondContact O-N 3.19Å; R670-C672 VanDerWaalsContact O-N 3.15Å; C672-R674 VanDerWaalsContact C-N 3.3Å; C672-R674 PolarHBondContact O-N 3.19Å; C672-N675 PolarHBondContact O-N 3.2Å; C672-V676 WeakPolarHBondContact O-CB 3.46Å; C672-V676 VanDerWaalsContact O-CG1 3.31Å; C672-V676 WeakPolarHBondContact O-CG1 3.31Å; C672-V676 PolarHBondContact O-N 3.48Å; C672-H707 HydrophobicContact CB-CB 4.15Å; C672-H707 VanDerWaalsContact CB-CD2 3.42Å; C672-H707 WeakPolarHBondContact CB-CD2 3.42Å; C672-H707 PolarHBondContact SG-CD2 2.9Å; C672-E723 HydrophobicContact CB-CG 4.37Å
673	H	94.1	Very high	94.3	Very high	27 Å²	27	14.1 Å²	14.1	13%	0.125	8%	0.079	C	C	.	.	H	α-helix	trans	-54.5	-46.1	174.7	-179.2	78.5	0	0	0	112	D627 T631 R670 S677	D627-H673 PolarHBondContact O-NE2 3.17Å; T631-H673 PolarHBondContact OG1-NE2 3.43Å; T631-H673 VanDerWaalsContact OG1-NE2 3.08Å; R670-H673 WeakPolarHBondContact O-CB 3.13Å; R670-H673 PolarHBondContact O-N 2.98Å; R670-H673 VanDerWaalsContact O-N 3.14Å; H673-S677 WeakPolarHBondContact O-CB 3.41Å; H673-S677 PolarHBondContact O-N 3.18Å; H673-S677 PolarHBondContact O-OG 3Å
674	R	95.1	Very high	94.4	Very high	30 Å²	30	17 Å²	17	11%	0.113	9%	0.094	C	C	.	.	H	α-helix	trans	-57.2	-56.2	175.4	179.7	-169.7	177.5	-172.1	7.5	111.8	L630 M657 D661 R670 C672 S677 L678	L630-R674 HydrophobicContact CD2-CB 3.83Å; L630-R674 HydrophobicContact CD2-CG 4.06Å; M657-R674 VanDerWaalsContact CE-NH2 3.28Å; D661-R674 IonicContact OD1-CZ 3.83Å; D661-R674 IonicContact OD1-NH1 2.82Å; D661-R674 PolarHBondContact OD1-NH1 2.87Å; D661-R674 IonicContact OD1-NH2 2.87Å; D661-R674 PolarHBondContact OD1-NH2 3.11Å; R670-R674 PolarHBondContact O-N 3.27Å; C672-R674 VanDerWaalsContact C-N 3.3Å; C672-R674 PolarHBondContact O-N 3.19Å; R674-S677 PolarHBondContact O-N 3.37Å; R674-L678 WeakPolarHBondContact O-CB 3.16Å; R674-L678 PolarHBondContact O-N 2.94Å
675	N	95.8	Very high	94.5	Very high	14 Å²	14	18.2 Å²	18.2	8%	0.075	10%	0.099	C	C	.	.	H	α-helix	trans	-70.3	-34.3	-173.3	-79.3	-81.3	0	0	0	112.8	G671 C672 L678 L679 F703 C704	G671-N675 PolarHBondContact O-N 3.38Å; G671-N675 PolarHBondContact O-ND2 3.02Å; C672-N675 PolarHBondContact O-N 3.2Å; N675-L678 PolarHBondContact O-N 3.12Å; N675-L679 VanDerWaalsContact O-CB 3.23Å; N675-L679 WeakPolarHBondContact O-CB 3.33Å; N675-L679 PolarHBondContact O-N 3.32Å; N675-F703 HydrophobicContact CB-CB 4.33Å; N675-F703 HydrophobicContact CB-CD1 3.85Å; N675-F703 HydrophobicContact CB-CG 4.27Å; N675-F703 VanDerWaalsContact ND2-CD1 3.29Å; N675-F703 WeakPolarHBondContact ND2-CD1 3.47Å; N675-F703 WeakPolarHBondContact ND2-CG 2.91Å; N675-C704 VanDerWaalsContact C-SG 3.55Å; N675-C704 WeakPolarHBondContact CB-SG 3.32Å
676	V	96.2	Very high	94.6	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.012	9%	0.091	C	C	.	.	H	α-helix	trans	-73.5	-35.5	177.5	79.4	0	0	0	0	111.2	C672 N680 C704 K726 F727 V730	C672-V676 WeakPolarHBondContact O-CB 3.46Å; C672-V676 VanDerWaalsContact O-CG1 3.31Å; C672-V676 WeakPolarHBondContact O-CG1 3.31Å; C672-V676 PolarHBondContact O-N 3.48Å; V676-N680 WeakPolarHBondContact O-CB 3.45Å; V676-N680 PolarHBondContact O-N 3.43Å; V676-C704 PolarHBondContact N-SG 3.16Å; V676-K726 HydrophobicContact CG1-CG 4.02Å; V676-K726 HydrophobicContact CG2-CB 4.49Å; V676-K726 HydrophobicContact CG2-CG 3.96Å; V676-F727 HydrophobicContact CG2-CB 4.23Å; V676-V730 HydrophobicContact CG2-CB 4.31Å; V676-V730 HydrophobicContact CG2-CG2 4.13Å
677	S	96.4	Very high	94.8	Very high	9 Å²	9	21.4 Å²	21.4	6%	0.063	11%	0.11	C	C	.	.	H	α-helix	trans	-65.1	-47.8	171.2	-58.6	0	0	0	0	109.9	T631 H673 R674 L679 N680 D681	T631-S677 PolarHBondContact OG1-OG 3.44Å; H673-S677 WeakPolarHBondContact O-CB 3.41Å; H673-S677 PolarHBondContact O-N 3.18Å; H673-S677 PolarHBondContact O-OG 3Å; R674-S677 PolarHBondContact O-N 3.37Å; S677-L679 VanDerWaalsContact C-N 3.31Å; S677-L679 PolarHBondContact O-N 2.98Å; S677-N680 CarbonylContact O-C 3.54Å; S677-N680 WeakPolarHBondContact O-CA 3.25Å; S677-N680 WeakPolarHBondContact O-CB 3.37Å; S677-N680 PolarHBondContact O-N 3.26Å; S677-D681 PolarHBondContact O-N 3.06Å; S677-D681 VanDerWaalsContact O-OD2 3.12Å
678	L	97.3	Very high	94.8	Very high	11 Å²	11	24.4 Å²	24.4	6%	0.058	13%	0.132	C	C	.	.	H	α-helix	trans	-59.9	-44.7	179	-178.9	58	0	0	0	111.2	Q634 F652 R674 N675 N680 D681 L682	Q634-L678 HydrophobicContact CG-CD1 4.16Å; Q634-L678 VanDerWaalsContact NE2-CB 3.34Å; F652-L678 HydrophobicContact CE2-CD1 3.62Å; F652-L678 HydrophobicContact CE2-CD2 4.04Å; F652-L678 HydrophobicContact CE2-CG 4.49Å; F652-L678 HydrophobicContact CZ-CD1 3.77Å; R674-L678 WeakPolarHBondContact O-CB 3.16Å; R674-L678 PolarHBondContact O-N 2.94Å; N675-L678 PolarHBondContact O-N 3.12Å; L678-N680 VanDerWaalsContact C-N 3.3Å; L678-N680 PolarHBondContact O-N 2.77Å; L678-D681 PolarHBondContact O-N 2.98Å; L678-L682 HydrophobicContact CD1-CD1 4.18Å; L678-L682 HydrophobicContact CD1-CG 4.06Å; L678-L682 HydrophobicContact CG-CD1 3.88Å; L678-L682 HydrophobicContact CG-CG 4.24Å; L678-L682 WeakPolarHBondContact O-CB 3.46Å; L678-L682 WeakPolarHBondContact O-CG 3.3Å; L678-L682 PolarHBondContact O-N 3.43Å
679	L	97.1	Very high	94.8	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.9	-42.3	177	-174.2	60.8	0	0	0	110.9	N675 S677 L682 L683 L697 F701 V730 L734	N675-L679 VanDerWaalsContact O-CB 3.23Å; N675-L679 WeakPolarHBondContact O-CB 3.33Å; N675-L679 PolarHBondContact O-N 3.32Å; S677-L679 VanDerWaalsContact C-N 3.31Å; S677-L679 PolarHBondContact O-N 2.98Å; L679-L682 PolarHBondContact O-N 3.27Å; L679-L683 WeakPolarHBondContact O-CG 3.45Å; L679-L683 PolarHBondContact O-N 3.42Å; L679-L697 HydrophobicContact CD1-CB 4.2Å; L679-L697 HydrophobicContact CD1-CD2 3.62Å; L679-F701 HydrophobicContact CD2-CB 4.04Å; L679-F701 HydrophobicContact CD2-CD2 4.06Å; L679-V730 HydrophobicContact CB-CG1 4.04Å; L679-V730 HydrophobicContact CD2-CG1 3.47Å; L679-V730 VanDerWaalsContact CD2-CG1 3.47Å; L679-V730 HydrophobicContact CG-CG1 3.51Å; L679-L734 HydrophobicContact CD2-CD2 4.37Å
680	N	97.5	Very high	94.9	Very high	19 Å²	19	30.9 Å²	30.9	10%	0.102	16%	0.163	C	C	.	.	H	α-helix	trans	-60.9	-46.4	174.2	-172.9	92.7	0	0	0	112.1	V676 S677 L678 L682 L683 D684 K726 V730 R733	V676-N680 WeakPolarHBondContact O-CB 3.45Å; V676-N680 PolarHBondContact O-N 3.43Å; S677-N680 CarbonylContact O-C 3.54Å; S677-N680 WeakPolarHBondContact O-CA 3.25Å; S677-N680 WeakPolarHBondContact O-CB 3.37Å; S677-N680 PolarHBondContact O-N 3.26Å; L678-N680 VanDerWaalsContact C-N 3.3Å; L678-N680 PolarHBondContact O-N 2.77Å; N680-L682 PolarHBondContact O-N 3.41Å; N680-L683 WeakPolarHBondContact O-CB 3.39Å; N680-L683 PolarHBondContact O-N 3.17Å; N680-D684 PolarHBondContact ND2-OD2 2.99Å; N680-D684 VanDerWaalsContact O-CG 3.22Å; N680-D684 PolarHBondContact O-N 3.16Å; N680-K726 PolarHBondContact OD1-NZ 3.45Å; N680-V730 HydrophobicContact CB-CG2 3.87Å; N680-R733 PolarHBondContact OD1-NH1 2.89Å
681	D	97.2	Very high	95	Very high	11 Å²	11	30.4 Å²	30.4	6%	0.059	16%	0.162	C	C	.	.	H	α-helix	trans	-64	-42.3	-179.3	-53.6	-27.5	0	0	0	111	Q634 V635 L638 S677 L678 L683 D684 K685	Q634-D681 PolarHBondContact NE2-OD2 2.97Å; Q634-D681 VanDerWaalsContact NE2-OD2 3.09Å; V635-D681 HydrophobicContact CG2-CB 4.34Å; V635-D681 VanDerWaalsContact CG2-CG 3.47Å; V635-D681 WeakPolarHBondContact CG2-OD1 3.47Å; L638-D681 HydrophobicContact CD2-CB 3.97Å; S677-D681 PolarHBondContact O-N 3.06Å; S677-D681 VanDerWaalsContact O-OD2 3.12Å; L678-D681 PolarHBondContact O-N 2.98Å; D681-L683 VanDerWaalsContact C-N 3.32Å; D681-L683 PolarHBondContact O-N 3.44Å; D681-D684 WeakPolarHBondContact O-CB 3.4Å; D681-D684 PolarHBondContact O-N 3.15Å; D681-K685 WeakPolarHBondContact O-CG 3.4Å; D681-K685 PolarHBondContact O-N 3.47Å
682	L	97.9	Very high	95.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.2	-37.7	175.2	-70.3	170.9	0	0	0	111.8	L638 L678 L679 N680 K685 A686 I692 L696 L697	L638-L682 HydrophobicContact CD1-CD2 4.03Å; L638-L682 HydrophobicContact CD2-CD2 3.98Å; L638-L682 HydrophobicContact CD2-CG 4.45Å; L678-L682 HydrophobicContact CD1-CD1 4.18Å; L678-L682 HydrophobicContact CD1-CG 4.06Å; L678-L682 HydrophobicContact CG-CD1 3.88Å; L678-L682 HydrophobicContact CG-CG 4.24Å; L678-L682 WeakPolarHBondContact O-CB 3.46Å; L678-L682 WeakPolarHBondContact O-CG 3.3Å; L678-L682 PolarHBondContact O-N 3.43Å; L679-L682 PolarHBondContact O-N 3.27Å; N680-L682 PolarHBondContact O-N 3.41Å; L682-K685 PolarHBondContact O-N 3.44Å; L682-A686 WeakPolarHBondContact O-CB 3.23Å; L682-A686 PolarHBondContact O-N 3.32Å; L682-I692 HydrophobicContact CB-CG2 4.32Å; L682-I692 HydrophobicContact CD2-CD1 4.14Å; L682-I692 HydrophobicContact CD2-CG2 3.93Å; L682-L696 HydrophobicContact CD1-CD2 3.71Å; L682-L696 HydrophobicContact CD1-CG 3.74Å; L682-L696 HydrophobicContact CD2-CD2 3.9Å; L682-L696 HydrophobicContact CG-CD2 4.49Å; L682-L697 HydrophobicContact CB-CD2 3.71Å; L682-L697 HydrophobicContact CD1-CD2 4.03Å
683	L	97.9	Very high	95.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.5	-43	173	-68.7	175.6	0	0	0	111.3	L679 N680 D681 K685 A686 E687 V730 R733 L734 L737	L679-L683 WeakPolarHBondContact O-CG 3.45Å; L679-L683 PolarHBondContact O-N 3.42Å; N680-L683 WeakPolarHBondContact O-CB 3.39Å; N680-L683 PolarHBondContact O-N 3.17Å; D681-L683 VanDerWaalsContact C-N 3.32Å; D681-L683 PolarHBondContact O-N 3.44Å; L683-K685 PolarHBondContact O-N 2.84Å; L683-A686 PolarHBondContact O-N 3.27Å; L683-E687 WeakPolarHBondContact O-CB 3.21Å; L683-E687 VanDerWaalsContact O-CG 3.27Å; L683-E687 WeakPolarHBondContact O-CG 3.38Å; L683-E687 PolarHBondContact O-N 3.44Å; L683-V730 HydrophobicContact CD1-CG1 3.84Å; L683-R733 HydrophobicContact CD1-CB 3.79Å; L683-L734 HydrophobicContact CD1-CB 4.2Å; L683-L734 HydrophobicContact CD2-CB 4.34Å; L683-L734 HydrophobicContact CD2-CD1 3.92Å; L683-L737 HydrophobicContact CD2-CB 4.25Å; L683-L737 HydrophobicContact CD2-CD2 3.37Å; L683-L737 HydrophobicContact CD2-CG 4.44Å
684	D	97.3	Very high	95.4	Very high	59 Å²	59	29.6 Å²	29.6	32%	0.316	15%	0.154	S	C	.	.	H	α-helix	trans	-59.2	-38.5	176.5	-62	-20.7	0	0	0	110.8	N680 D681 S688 R733	N680-D684 PolarHBondContact ND2-OD2 2.99Å; N680-D684 VanDerWaalsContact O-CG 3.22Å; N680-D684 PolarHBondContact O-N 3.16Å; D681-D684 WeakPolarHBondContact O-CB 3.4Å; D681-D684 PolarHBondContact O-N 3.15Å; D684-S688 WeakPolarHBondContact O-CB 3.37Å; D684-S688 PolarHBondContact O-N 3.43Å; D684-S688 VanDerWaalsContact O-N 3.07Å; D684-S688 PolarHBondContact O-OG 3.12Å; D684-R733 IonicContact OD1-CZ 3.03Å; D684-R733 IonicContact OD1-NH1 3.27Å; D684-R733 PolarHBondContact OD1-NH1 3.19Å; D684-R733 IonicContact OD1-NH2 3.05Å; D684-R733 PolarHBondContact OD1-NH2 3.35Å
685	K	96.5	Very high	95.3	Very high	39 Å²	39	31.6 Å²	31.6	17%	0.17	17%	0.169	C	C	.	.	H	α-helix	trans	-70.2	-43.2	174.3	-63.3	-55.9	177.7	-174.3	0	113.2	L638 D639 L642 D681 L682 L683 E687 S688 D689 Y690 I692	L638-K685 HydrophobicContact CD2-CG 4.03Å; D639-K685 WeakPolarHBondContact OD1-CE 3.13Å; D639-K685 IonicContact OD1-NZ 3.69Å; D639-K685 PolarHBondContact OD1-NZ 3.36Å; D639-K685 IonicContact OD2-NZ 2.64Å; L642-K685 HydrophobicContact CD1-CB 4.1Å; L642-K685 HydrophobicContact CD1-CD 3.98Å; L642-K685 HydrophobicContact CD1-CG 3.7Å; D681-K685 WeakPolarHBondContact O-CG 3.4Å; D681-K685 PolarHBondContact O-N 3.47Å; L682-K685 PolarHBondContact O-N 3.44Å; L683-K685 PolarHBondContact O-N 2.84Å; K685-E687 VanDerWaalsContact C-N 3.28Å; K685-E687 PolarHBondContact O-N 3.49Å; K685-S688 CarbonylContact O-C 3.5Å; K685-S688 WeakPolarHBondContact O-CA 3.44Å; K685-S688 PolarHBondContact O-N 3.43Å; K685-D689 PolarHBondContact O-N 3.26Å; K685-Y690 HydrophobicContact CB-CD2 4.37Å; K685-Y690 HydrophobicContact CB-CG 4.47Å; K685-Y690 HydrophobicContact CD-CD2 4.23Å; K685-Y690 HydrophobicContact CD-CE2 4.43Å; K685-Y690 WeakPolarHBondContact O-CB 3.33Å; K685-Y690 PolarHBondContact O-N 3.37Å; K685-I692 HydrophobicContact CB-CD1 4.17Å
686	A	95.2	Very high	95.3	Very high	13 Å²	13	31.5 Å²	31.5	11%	0.107	17%	0.169	C	C	.	.	H	α-helix	trans	-63.9	-34.1	176.5	0	0	0	0	0	112.5	L682 L683 S688 D689 Y690 I692 L737	L682-A686 WeakPolarHBondContact O-CB 3.23Å; L682-A686 PolarHBondContact O-N 3.32Å; L683-A686 PolarHBondContact O-N 3.27Å; A686-S688 VanDerWaalsContact C-N 3.31Å; A686-D689 PolarHBondContact O-N 2.97Å; A686-Y690 WeakPolarHBondContact CA-O 3.3Å; A686-I692 HydrophobicContact CB-CG1 4.06Å; A686-L737 HydrophobicContact CB-CD1 4.29Å; A686-L737 HydrophobicContact CB-CD2 3.73Å
687	E	93.3	Very high	95.3	Very high	91 Å²	91	31.4 Å²	31.4	43%	0.425	17%	0.168	S	C	.	.	H	α-helix	trans	-73	-24.6	173.1	-71.3	169.1	-169.4	0	0	112.4	L683 K685 D689 R733	L683-E687 WeakPolarHBondContact O-CB 3.21Å; L683-E687 VanDerWaalsContact O-CG 3.27Å; L683-E687 WeakPolarHBondContact O-CG 3.38Å; L683-E687 PolarHBondContact O-N 3.44Å; K685-E687 VanDerWaalsContact C-N 3.28Å; K685-E687 PolarHBondContact O-N 3.49Å; E687-D689 VanDerWaalsContact C-N 3.26Å; E687-D689 PolarHBondContact O-N 3.05Å; E687-R733 IonicContact OE1-CZ 3.1Å; E687-R733 IonicContact OE1-NE 2.76Å; E687-R733 PolarHBondContact OE1-NE 3.42Å; E687-R733 IonicContact OE1-NH2 3.33Å; E687-R733 PolarHBondContact OE1-NH2 3.46Å; E687-R733 IonicContact OE2-CZ 3.95Å; E687-R733 IonicContact OE2-NH2 3.15Å; E687-R733 PolarHBondContact OE2-NH2 3.45Å
688	S	92.1	Very high	95.2	Very high	71 Å²	71	32.6 Å²	32.6	50%	0.497	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	29.6	173.2	-52.9	0	0	0	0	112.9	D684 K685 A686 Y690	D684-S688 WeakPolarHBondContact O-CB 3.37Å; D684-S688 PolarHBondContact O-N 3.43Å; D684-S688 VanDerWaalsContact O-N 3.07Å; D684-S688 PolarHBondContact O-OG 3.12Å; K685-S688 CarbonylContact O-C 3.5Å; K685-S688 WeakPolarHBondContact O-CA 3.44Å; K685-S688 PolarHBondContact O-N 3.43Å; A686-S688 VanDerWaalsContact C-N 3.31Å; S688-Y690 VanDerWaalsContact C-N 3.26Å; S688-Y690 PolarHBondContact O-N 2.72Å
689	D	88.7	Confident	94.9	Very high	124 Å²	124	35.9 Å²	35.9	66%	0.663	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	14.9	176.5	-58.7	-45.5	0	0	0	116.6	A132 K685 A686 E687	A132-D689 WeakPolarHBondContact CA-O 3.49Å; A132-D689 WeakPolarHBondContact CB-O 3.44Å; K685-D689 PolarHBondContact O-N 3.26Å; A686-D689 PolarHBondContact O-N 2.97Å; E687-D689 VanDerWaalsContact C-N 3.26Å; E687-D689 PolarHBondContact O-N 3.05Å
690	Y	94.1	Very high	94.8	Very high	72 Å²	72	36 Å²	36	28%	0.282	19%	0.186	S	C	.	.			trans	-78.4	141.4	168.4	-74.2	-93.7	0	0	0	111.2	L642 K685 A686 S688 I692	L642-Y690 HydrophobicContact CB-CD1 4.2Å; L642-Y690 HydrophobicContact CB-CE1 4.01Å; L642-Y690 HydrophobicContact CD1-CD1 4.12Å; L642-Y690 HydrophobicContact CD1-CE1 4.47Å; L642-Y690 HydrophobicContact CD1-CG 4.31Å; L642-Y690 HydrophobicContact CD2-CD1 4.34Å; L642-Y690 HydrophobicContact CG-CD1 4.47Å; K685-Y690 HydrophobicContact CB-CD2 4.37Å; K685-Y690 HydrophobicContact CB-CG 4.47Å; K685-Y690 HydrophobicContact CD-CD2 4.23Å; K685-Y690 HydrophobicContact CD-CE2 4.43Å; K685-Y690 WeakPolarHBondContact O-CB 3.33Å; K685-Y690 PolarHBondContact O-N 3.37Å; A686-Y690 WeakPolarHBondContact CA-O 3.3Å; S688-Y690 VanDerWaalsContact C-N 3.26Å; S688-Y690 PolarHBondContact O-N 2.72Å; Y690-I692 PolarHBondContact O-N 3Å
691	M	93.7	Very high	94.7	Very high	26 Å²	26	35.2 Å²	35.2	13%	0.128	18%	0.182	C	C	.	.			trans	-83.1	117.1	173.9	-166.6	170	-75	0	0	110.1	A129 A132 G134 L649 P754	A129-M691 HydrophobicContact CB-CE 3.81Å; A132-M691 HydrophobicContact CB-CB 4.12Å; A132-M691 PolarHBondContact O-N 2.94Å; A132-M691 VanDerWaalsContact O-N 3.08Å; G134-M691 VanDerWaalsContact CA-SD 3.52Å; L649-M691 HydrophobicContact CD2-CB 4.22Å; L649-M691 HydrophobicContact CD2-CG 4.07Å; L649-M691 HydrophobicContact CD2-SD 4.48Å; M691-P754 HydrophobicContact CG-CG 4.48Å; M691-P754 VanDerWaalsContact SD-CD 3.54Å; M691-P754 HydrophobicContact SD-CG 3.77Å
692	I	95.6	Very high	94.4	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.041	19%	0.188	C	C	.	.			trans	-111.8	136.5	179.7	-56.6	-57.8	0	0	0	109.6	L642 L682 K685 A686 Y690 P694 L697	L642-I692 HydrophobicContact CD2-CD1 4.26Å; L682-I692 HydrophobicContact CB-CG2 4.32Å; L682-I692 HydrophobicContact CD2-CD1 4.14Å; L682-I692 HydrophobicContact CD2-CG2 3.93Å; K685-I692 HydrophobicContact CB-CD1 4.17Å; A686-I692 HydrophobicContact CB-CG1 4.06Å; Y690-I692 PolarHBondContact O-N 3Å; I692-P694 VanDerWaalsContact O-CD 3.25Å; I692-P694 WeakPolarHBondContact O-CD 3.26Å; I692-L697 HydrophobicContact CG2-CD1 4.47Å; I692-L697 HydrophobicContact CG2-CD2 4.14Å; I692-L697 HydrophobicContact CG2-CG 4.08Å
693	D	93.4	Very high	94	Very high	21 Å²	21	38.2 Å²	38.2	11%	0.112	20%	0.199	C	C	.	.			trans	-65.7	117.7	177.6	-172.4	-21.1	0	0	0	110.3	R77 L649 W651 T695 L696 L697	R77-D693 IonicContact NH2-OD2 3.84Å; L649-D693 HydrophobicContact CB-CB 3.79Å; L649-D693 HydrophobicContact CD1-CB 4.41Å; L649-D693 PolarHBondContact O-N 3.47Å; W651-D693 PolarHBondContact NE1-OD2 2.97Å; D693-T695 PolarHBondContact O-N 3.08Å; D693-T695 VanDerWaalsContact O-N 3.13Å; D693-T695 WeakPolarHBondContact OD1-CB 3.39Å; D693-T695 PolarHBondContact OD1-N 3.23Å; D693-T695 PolarHBondContact OD1-OG1 3.3Å; D693-L696 HydrophobicContact CB-CB 4.38Å; D693-L696 WeakPolarHBondContact O-CB 3.37Å; D693-L696 PolarHBondContact O-N 2.76Å; D693-L697 PolarHBondContact O-N 3.08Å
694	P	95.5	Very high	93.7	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	20%	0.199	C	C	.	.	H	α-helix	trans	-61	-24.4	179	-24	35.9	0	0	0	113.2	I692 L696 L697 H698 F749 A757 A760 T761	I692-P694 VanDerWaalsContact O-CD 3.25Å; I692-P694 WeakPolarHBondContact O-CD 3.26Å; P694-L696 VanDerWaalsContact C-N 3.3Å; P694-L696 PolarHBondContact O-N 2.92Å; P694-L697 PolarHBondContact O-N 2.87Å; P694-H698 WeakPolarHBondContact O-CB 3.22Å; P694-H698 PolarHBondContact O-N 3.43Å; P694-F749 HydrophobicContact CG-CE1 4.3Å; P694-A757 HydrophobicContact CG-CB 4.05Å; P694-A760 HydrophobicContact CB-CB 3.97Å; P694-T761 WeakPolarHBondContact CG-OG1 3.26Å
695	T	93.3	Very high	93.4	Very high	72 Å²	72	35.7 Å²	35.7	44%	0.442	19%	0.186	S	C	.	.	H	α-helix	trans	-62.4	-37.6	173.2	-44.9	0	0	0	0	111.8	W651 D693 H698 Y699	W651-T695 HydrophobicContact CZ2-CG2 4.43Å; D693-T695 PolarHBondContact O-N 3.08Å; D693-T695 VanDerWaalsContact O-N 3.13Å; D693-T695 WeakPolarHBondContact OD1-CB 3.39Å; D693-T695 PolarHBondContact OD1-N 3.23Å; D693-T695 PolarHBondContact OD1-OG1 3.3Å; T695-H698 PolarHBondContact O-N 2.95Å; T695-Y699 PolarHBondContact O-N 2.76Å
696	L	94.6	Very high	93	Very high	12 Å²	12	34.7 Å²	34.7	6%	0.063	18%	0.184	C	C	.	.	H	α-helix	trans	-68.3	-46.3	177.3	178.9	59.5	0	0	0	110.9	G650 W651 L682 D693 P694 H698 Y699 S700	G650-L696 VanDerWaalsContact O-CD2 3.28Å; G650-L696 WeakPolarHBondContact O-CD2 3.46Å; W651-L696 HydrophobicContact CD2-CB 4.35Å; W651-L696 HydrophobicContact CD2-CD1 4.12Å; W651-L696 HydrophobicContact CD2-CD2 4.38Å; W651-L696 HydrophobicContact CE3-CD1 3.96Å; W651-L696 HydrophobicContact CG-CD2 4.33Å; W651-L696 HydrophobicContact CH2-CB 4.43Å; W651-L696 HydrophobicContact CH2-CD1 4.11Å; W651-L696 HydrophobicContact CZ2-CB 3.82Å; W651-L696 HydrophobicContact CZ2-CD1 4.28Å; W651-L696 HydrophobicContact CZ3-CD1 3.94Å; L682-L696 HydrophobicContact CD1-CD2 3.71Å; L682-L696 HydrophobicContact CD1-CG 3.74Å; L682-L696 HydrophobicContact CD2-CD2 3.9Å; L682-L696 HydrophobicContact CG-CD2 4.49Å; D693-L696 HydrophobicContact CB-CB 4.38Å; D693-L696 WeakPolarHBondContact O-CB 3.37Å; D693-L696 PolarHBondContact O-N 2.76Å; P694-L696 VanDerWaalsContact C-N 3.3Å; P694-L696 PolarHBondContact O-N 2.92Å; L696-H698 PolarHBondContact O-N 2.84Å; L696-Y699 PolarHBondContact O-N 3.33Å; L696-Y699 VanDerWaalsContact O-N 3.13Å; L696-S700 PolarHBondContact O-N 3.04Å; L696-S700 PolarHBondContact O-OG 2.89Å
697	L	97	Very high	92.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-56.2	-43.3	174.3	-63.6	176.6	0	0	0	110.7	L679 L682 I692 D693 P694 F701 L734 L737 L764	L679-L697 HydrophobicContact CD1-CB 4.2Å; L679-L697 HydrophobicContact CD1-CD2 3.62Å; L682-L697 HydrophobicContact CB-CD2 3.71Å; L682-L697 HydrophobicContact CD1-CD2 4.03Å; I692-L697 HydrophobicContact CG2-CD1 4.47Å; I692-L697 HydrophobicContact CG2-CD2 4.14Å; I692-L697 HydrophobicContact CG2-CG 4.08Å; D693-L697 PolarHBondContact O-N 3.08Å; P694-L697 PolarHBondContact O-N 2.87Å; L697-F701 WeakPolarHBondContact O-CB 3.45Å; L697-F701 PolarHBondContact O-N 3.05Å; L697-L734 HydrophobicContact CD1-CD1 4.26Å; L697-L737 HydrophobicContact CD1-CD2 4.48Å; L697-L764 HydrophobicContact CB-CD2 3.66Å
698	H	94.1	Very high	92.6	Very high	34 Å²	34	31 Å²	31	16%	0.157	17%	0.166	C	C	.	.	H	α-helix	trans	-62.5	-44.1	177.5	-176.9	-46.6	0	0	0	111.8	P694 T695 L696 F701 A702 L764 R767	P694-H698 WeakPolarHBondContact O-CB 3.22Å; P694-H698 PolarHBondContact O-N 3.43Å; T695-H698 PolarHBondContact O-N 2.95Å; L696-H698 PolarHBondContact O-N 2.84Å; H698-F701 PolarHBondContact O-N 2.9Å; H698-A702 VanDerWaalsContact O-CB 3.23Å; H698-A702 WeakPolarHBondContact O-CB 3.27Å; H698-A702 PolarHBondContact O-N 3.1Å; H698-L764 HydrophobicContact CB-CB 4.4Å; H698-L764 HydrophobicContact CB-CD1 3.88Å; H698-L764 HydrophobicContact CB-CD2 4.14Å; H698-L764 HydrophobicContact CB-CG 4.36Å; H698-R767 VanDerWaalsContact CE1-CD 3.42Å; H698-R767 WeakPolarHBondContact CE1-CD 3.31Å; H698-R767 PolarHBondContact CE1-NE 3.44Å; H698-R767 VanDerWaalsContact NE2-CD 3.28Å; H698-R767 WeakPolarHBondContact NE2-CD 3.44Å; H698-R767 PolarHBondContact NE2-NE 3.21Å
699	Y	91.6	Very high	92.1	Very high	80 Å²	80	30.6 Å²	30.6	31%	0.314	16%	0.156	S	C	.	.	H	α-helix	trans	-61.9	-50.1	179.6	-163.7	-85.5	0	0	0	111.4	F323 T695 L696 F701 A702 F703	F323-Y699 AromaticContact CD2-CZ 3.94Å; F323-Y699 WeakPolarHBondContact CD2-OH 3.34Å; F323-Y699 WeakPolarHBondContact CG-OH 3.42Å; T695-Y699 PolarHBondContact O-N 2.76Å; L696-Y699 PolarHBondContact O-N 3.33Å; L696-Y699 VanDerWaalsContact O-N 3.13Å; Y699-F701 PolarHBondContact O-N 3.33Å; Y699-A702 PolarHBondContact O-N 3.19Å; Y699-F703 PolarHBondContact O-N 3Å
700	S	93.9	Very high	91.5	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.014	15%	0.149	C	C	.	.	H	α-helix	trans	-64.2	-40.4	178.6	-63	0	0	0	0	112.3	L696 F703 C704	L696-S700 PolarHBondContact O-N 3.04Å; L696-S700 PolarHBondContact O-OG 2.89Å; S700-F703 PolarHBondContact O-N 3.46Å; S700-C704 PolarHBondContact O-N 3.32Å; S700-C704 VanDerWaalsContact O-N 3.13Å; S700-C704 PolarHBondContact O-SG 3.42Å
701	F	95	Very high	90.5	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.018	15%	0.153	C	C	.	.	H	α-helix	trans	-64	-47.1	175.9	-179.1	-97.5	0	0	0	111.9	L679 L697 H698 Y699 F703 C704 A705 F727 K731 L734 L764 R767 V768	L679-F701 HydrophobicContact CD2-CB 4.04Å; L679-F701 HydrophobicContact CD2-CD2 4.06Å; L697-F701 WeakPolarHBondContact O-CB 3.45Å; L697-F701 PolarHBondContact O-N 3.05Å; H698-F701 PolarHBondContact O-N 2.9Å; Y699-F701 PolarHBondContact O-N 3.33Å; F701-F703 VanDerWaalsContact C-N 3.3Å; F701-F703 PolarHBondContact O-N 3.29Å; F701-C704 PolarHBondContact O-N 3.11Å; F701-A705 HydrophobicContact CE1-CB 4.26Å; F701-A705 WeakPolarHBondContact O-CB 3.41Å; F701-A705 PolarHBondContact O-N 3.16Å; F701-F727 AromaticContact CD2-CE2 3.93Å; F701-F727 HydrophobicContact CD2-CE2 3.93Å; F701-F727 HydrophobicContact CD2-CZ 4.39Å; F701-F727 AromaticContact CE2-CE2 3.66Å; F701-F727 HydrophobicContact CE2-CE2 3.66Å; F701-F727 AromaticContact CE2-CZ 3.71Å; F701-F727 HydrophobicContact CE2-CZ 3.71Å; F701-F727 HydrophobicContact CZ-CE2 4.35Å; F701-F727 AromaticContact CZ-CZ 4Å; F701-F727 HydrophobicContact CZ-CZ 4Å; F701-K731 HydrophobicContact CE2-CB 4.19Å; F701-K731 HydrophobicContact CE2-CD 4.3Å; F701-K731 HydrophobicContact CE2-CG 3.92Å; F701-K731 HydrophobicContact CZ-CD 4.3Å; F701-K731 HydrophobicContact CZ-CG 4.27Å; F701-L734 HydrophobicContact CB-CD2 4.08Å; F701-L734 HydrophobicContact CD2-CD2 3.56Å; F701-L734 HydrophobicContact CE2-CD2 4.23Å; F701-L734 HydrophobicContact CG-CD2 3.9Å; F701-L764 HydrophobicContact CB-CD1 4.13Å; F701-L764 HydrophobicContact CD1-CD1 3.96Å; F701-L764 HydrophobicContact CG-CD1 4.2Å; F701-R767 HydrophobicContact CE1-CB 4.24Å; F701-V768 HydrophobicContact CD1-CG2 4.21Å; F701-V768 HydrophobicContact CD2-CG2 4.28Å; F701-V768 HydrophobicContact CE1-CG2 3.89Å; F701-V768 HydrophobicContact CE2-CG2 3.96Å; F701-V768 HydrophobicContact CG-CG2 4.4Å; F701-V768 HydrophobicContact CZ-CB 4.3Å; F701-V768 HydrophobicContact CZ-CG2 3.76Å
702	A	90.9	Very high	89.8	Confident	23 Å²	23	27 Å²	27	19%	0.19	15%	0.154	C	C	.	.	H	α-helix	trans	-61.9	-39.2	179.7	0	0	0	0	0	111.9	H698 Y699 S706	H698-A702 VanDerWaalsContact O-CB 3.23Å; H698-A702 WeakPolarHBondContact O-CB 3.27Å; H698-A702 PolarHBondContact O-N 3.1Å; Y699-A702 PolarHBondContact O-N 3.19Å; A702-S706 WeakPolarHBondContact O-CB 3.46Å; A702-S706 PolarHBondContact O-N 2.85Å; A702-S706 PolarHBondContact O-OG 3.4Å
703	F	90.9	Very high	88.5	Confident	51 Å²	51	31.7 Å²	31.7	22%	0.224	19%	0.185	C	C	.	.	H	α-helix	trans	-58.8	-52.7	173.5	-173	-76.8	0	0	0	110.7	G671 N675 Y699 S700 F701 A705 S706 H707	G671-F703 VanDerWaalsContact O-CE1 3.31Å; G671-F703 WeakPolarHBondContact O-CE1 3.35Å; N675-F703 HydrophobicContact CB-CB 4.33Å; N675-F703 HydrophobicContact CB-CD1 3.85Å; N675-F703 HydrophobicContact CB-CG 4.27Å; N675-F703 VanDerWaalsContact ND2-CD1 3.29Å; N675-F703 WeakPolarHBondContact ND2-CD1 3.47Å; N675-F703 WeakPolarHBondContact ND2-CG 2.91Å; Y699-F703 PolarHBondContact O-N 3Å; S700-F703 PolarHBondContact O-N 3.46Å; F701-F703 VanDerWaalsContact C-N 3.3Å; F701-F703 PolarHBondContact O-N 3.29Å; F703-A705 PolarHBondContact O-N 3.18Å; F703-S706 PolarHBondContact O-N 2.93Å; F703-S706 PolarHBondContact O-OG 3.47Å; F703-H707 PolarHBondContact O-N 2.87Å; F703-H707 VanDerWaalsContact O-N 3.11Å
704	C	91.9	Very high	87.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.7	-41.3	-179.2	-66.9	0	0	0	0	112.8	N675 V676 S700 F701 H707 V708 F727	N675-C704 VanDerWaalsContact C-SG 3.55Å; N675-C704 WeakPolarHBondContact CB-SG 3.32Å; V676-C704 PolarHBondContact N-SG 3.16Å; S700-C704 PolarHBondContact O-N 3.32Å; S700-C704 VanDerWaalsContact O-N 3.13Å; S700-C704 PolarHBondContact O-SG 3.42Å; F701-C704 PolarHBondContact O-N 3.11Å; C704-H707 WeakPolarHBondContact O-CB 2.86Å; C704-H707 PolarHBondContact O-N 3.44Å; C704-V708 WeakPolarHBondContact O-CG2 3.36Å; C704-V708 PolarHBondContact O-N 3.21Å; C704-F727 HydrophobicContact CB-CD2 3.47Å; C704-F727 VanDerWaalsContact CB-CD2 3.47Å; C704-F727 HydrophobicContact CB-CE2 3.58Å
705	A	91	Very high	86.1	Confident	6 Å²	6	37.5 Å²	37.5	5%	0.05	23%	0.232	C	C	.	.	H	α-helix	trans	-61.7	-47	176.6	0	0	0	0	0	111	F701 F703 H707 V708 H709 F727 M773	F701-A705 HydrophobicContact CE1-CB 4.26Å; F701-A705 WeakPolarHBondContact O-CB 3.41Å; F701-A705 PolarHBondContact O-N 3.16Å; F703-A705 PolarHBondContact O-N 3.18Å; A705-H707 PolarHBondContact O-N 3.46Å; A705-V708 PolarHBondContact O-N 3.18Å; A705-H709 VanDerWaalsContact O-CB 3.29Å; A705-H709 WeakPolarHBondContact O-CB 3.34Å; A705-H709 PolarHBondContact O-CD2 2.68Å; A705-H709 PolarHBondContact O-N 3.22Å; A705-F727 HydrophobicContact CB-CE2 4.42Å; A705-F727 HydrophobicContact CB-CZ 3.92Å; A705-M773 HydrophobicContact CB-SD 4.03Å
706	S	88.1	Confident	85.2	Confident	18 Å²	18	35 Å²	35	13%	0.126	22%	0.216	C	C	.	.	H	α-helix	trans	-60.6	-32.5	177.4	74.6	0	0	0	0	112.8	A702 F703 G710 T711	A702-S706 WeakPolarHBondContact O-CB 3.46Å; A702-S706 PolarHBondContact O-N 2.85Å; A702-S706 PolarHBondContact O-OG 3.4Å; F703-S706 PolarHBondContact O-N 2.93Å; F703-S706 PolarHBondContact O-OG 3.47Å; S706-G710 PolarHBondContact O-N 3.49Å; S706-T711 PolarHBondContact O-N 3.43Å
707	H	89.5	Confident	84.3	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-70.4	-57	175.3	-172.1	92.7	0	0	0	111.9	R670 C672 F703 C704 A705 H709 G710 R712 T718 V719 E723	R670-H707 PolarHBondContact NH2-CE1 3.04Å; R670-H707 VanDerWaalsContact NH2-CE1 3.26Å; R670-H707 PolarHBondContact NH2-NE2 2.72Å; C672-H707 HydrophobicContact CB-CB 4.15Å; C672-H707 VanDerWaalsContact CB-CD2 3.42Å; C672-H707 WeakPolarHBondContact CB-CD2 3.42Å; C672-H707 PolarHBondContact SG-CD2 2.9Å; F703-H707 PolarHBondContact O-N 2.87Å; F703-H707 VanDerWaalsContact O-N 3.11Å; C704-H707 WeakPolarHBondContact O-CB 2.86Å; C704-H707 PolarHBondContact O-N 3.44Å; A705-H707 PolarHBondContact O-N 3.46Å; H707-H709 PolarHBondContact O-N 3.38Å; H707-G710 PolarHBondContact O-N 2.94Å; H707-G710 VanDerWaalsContact O-N 3.16Å; H707-R712 HydrophobicContact CB-CG 4.41Å; H707-R712 PolarHBondContact CE1-NH1 3.18Å; H707-R712 VanDerWaalsContact ND1-CD 3.3Å; H707-R712 WeakPolarHBondContact ND1-CD 3.41Å; H707-R712 PolarHBondContact ND1-NH1 3.34Å; H707-T718 PolarHBondContact CE1-O 2.84Å; H707-T718 PolarHBondContact NE2-O 3.42Å; H707-V719 VanDerWaalsContact O-CG2 3.29Å; H707-V719 WeakPolarHBondContact O-CG2 3.49Å; H707-E723 IonicContact NE2-OE1 3.72Å; H707-E723 IonicContact NE2-OE2 3.34Å
708	V	88.9	Confident	84	Confident	26 Å²	26	36.3 Å²	36.3	16%	0.158	23%	0.232	C	C	.	.	H	α-helix	trans	-66.2	-29.4	-174.5	174.1	0	0	0	0	111.9	C704 A705 V719 R724 F727	C704-V708 WeakPolarHBondContact O-CG2 3.36Å; C704-V708 PolarHBondContact O-N 3.21Å; A705-V708 PolarHBondContact O-N 3.18Å; V708-V719 HydrophobicContact CG2-CG1 4.27Å; V708-R724 HydrophobicContact CG1-CG 4.13Å; V708-F727 HydrophobicContact CB-CD1 4.01Å; V708-F727 HydrophobicContact CB-CE1 4.3Å; V708-F727 HydrophobicContact CG1-CD1 3.96Å; V708-F727 HydrophobicContact CG1-CE1 4.36Å; V708-F727 HydrophobicContact CG2-CB 3.95Å; V708-F727 HydrophobicContact CG2-CD1 3.84Å; V708-F727 HydrophobicContact CG2-CG 3.9Å
709	H	82.9	Confident	83.9	Confident	62 Å²	62	34.9 Å²	34.9	29%	0.287	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-1.9	178	-60.3	-58	0	0	0	114.3	A705 H707 K771 M773	A705-H709 VanDerWaalsContact O-CB 3.29Å; A705-H709 WeakPolarHBondContact O-CB 3.34Å; A705-H709 PolarHBondContact O-CD2 2.68Å; A705-H709 PolarHBondContact O-N 3.22Å; H707-H709 PolarHBondContact O-N 3.38Å; H709-K771 PolarHBondContact CE1-O 3.08Å; H709-M773 HydrophobicContact CB-CB 4.38Å; H709-M773 HydrophobicContact CB-CG 3.8Å
710	G	76.6	Confident	83.9	Confident	50 Å²	50	31.7 Å²	31.7	52%	0.515	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	25.4	172.1	0	0	0	0	0	116.2	S706 H707	S706-G710 PolarHBondContact O-N 3.49Å; H707-G710 PolarHBondContact O-N 2.94Å; H707-G710 VanDerWaalsContact O-N 3.16Å
711	T	71.5	Confident	83.8	Confident	60 Å²	60	34.2 Å²	34.2	37%	0.368	23%	0.228	S	C	.	.			trans	-109.9	32.6	-177.7	65.2	0	0	0	0	112.5	S706 M773	S706-T711 PolarHBondContact O-N 3.43Å; T711-M773 HydrophobicContact CG2-CB 3.97Å; T711-M773 HydrophobicContact CG2-CG 4.4Å; T711-M773 WeakPolarHBondContact OG1-CE 3.43Å
712	R	78.7	Confident	83.7	Confident	36 Å²	36	40 Å²	40	14%	0.136	25%	0.253	C	S	.	.			trans	-78.3	128.6	-175.6	-81.6	-170.2	69.7	165.1	15.8	112.2	H707 D714 V716	H707-R712 HydrophobicContact CB-CG 4.41Å; H707-R712 PolarHBondContact CE1-NH1 3.18Å; H707-R712 VanDerWaalsContact ND1-CD 3.3Å; H707-R712 WeakPolarHBondContact ND1-CD 3.41Å; H707-R712 PolarHBondContact ND1-NH1 3.34Å; R712-D714 VanDerWaalsContact C-N 3.26Å; R712-D714 WeakPolarHBondContact CB-OD1 3.48Å; R712-D714 IonicContact CZ-OD1 2.91Å; R712-D714 IonicContact CZ-OD2 3.07Å; R712-D714 IonicContact NE-OD1 2.72Å; R712-D714 PolarHBondContact NE-OD1 3.31Å; R712-D714 IonicContact NE-OD2 2.65Å; R712-D714 IonicContact NH2-OD1 2.72Å; R712-D714 PolarHBondContact NH2-OD1 3.46Å; R712-D714 IonicContact NH2-OD2 3.78Å; R712-D714 PolarHBondContact NH2-OD2 3.24Å; R712-D714 PolarHBondContact O-N 3.43Å; R712-V716 WeakPolarHBondContact CB-O 3.27Å
713	P	69.6	Low	83.8	Confident	107 Å²	107	39.3 Å²	39.3	70%	0.695	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-17.3	179.5	28.5	-34.2	0	0	0	113.7	L324 G715	L324-P713 HydrophobicContact CD2-CG 4.31Å; P713-G715 VanDerWaalsContact C-N 3.31Å
714	D	70.9	Confident	83.9	Confident	75 Å²	75	40.8 Å²	40.8	40%	0.401	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	12.4	-178.4	64.9	-20.1	0	0	0	114	R712 V716	R712-D714 VanDerWaalsContact C-N 3.26Å; R712-D714 WeakPolarHBondContact CB-OD1 3.48Å; R712-D714 IonicContact CZ-OD1 2.91Å; R712-D714 IonicContact CZ-OD2 3.07Å; R712-D714 IonicContact NE-OD1 2.72Å; R712-D714 PolarHBondContact NE-OD1 3.31Å; R712-D714 IonicContact NE-OD2 2.65Å; R712-D714 IonicContact NH2-OD1 2.72Å; R712-D714 PolarHBondContact NH2-OD1 3.46Å; R712-D714 IonicContact NH2-OD2 3.78Å; R712-D714 PolarHBondContact NH2-OD2 3.24Å; R712-D714 PolarHBondContact O-N 3.43Å; D714-V716 VanDerWaalsContact C-N 3.28Å; D714-V716 PolarHBondContact O-N 2.77Å
715	G	67.7	Low	84.1	Confident	69 Å²	69	44.6 Å²	44.6	71%	0.711	27%	0.271	S	S	*	.	S	Bend	trans	80.8	-0.8	172.9	0	0	0	0	0	115.3	P713 G717	P713-G715 VanDerWaalsContact C-N 3.31Å; G715-G717 PolarHBondContact O-N 3.07Å; G715-G717 VanDerWaalsContact O-N 3.14Å
716	V	73.4	Confident	84.2	Confident	18 Å²	18	47.3 Å²	47.3	11%	0.109	28%	0.281	C	S	.	.			trans	-74.5	103.7	175.8	175.8	0	0	0	0	110	E279 R712 D714	E279-V716 HydrophobicContact CG-CG1 4.49Å; E279-V716 HydrophobicContact CG-CG2 4.13Å; E279-V716 WeakPolarHBondContact OE1-CG1 3.42Å; R712-V716 WeakPolarHBondContact CB-O 3.27Å; D714-V716 VanDerWaalsContact C-N 3.28Å; D714-V716 PolarHBondContact O-N 2.77Å
717	G	76.7	Confident	84.6	Confident	38 Å²	38	46.5 Å²	46.5	39%	0.392	28%	0.276	S	S	.	.			trans	-102.9	-3.7	-179.3	0	0	0	0	0	115.7	G715	G715-G717 PolarHBondContact O-N 3.07Å; G715-G717 VanDerWaalsContact O-N 3.14Å
718	T	90	Very high	84.8	Confident	2 Å²	2	50 Å²	50	1%	0.012	29%	0.294	C	S	.	.			trans	-91.3	145.1	-176	70.4	0	0	0	0	112.2	M272 L275 E279 R670 H707	M272-T718 HydrophobicContact CB-CG2 4.03Å; M272-T718 WeakPolarHBondContact O-CG2 3.48Å; L275-T718 HydrophobicContact CB-CG2 3.52Å; E279-T718 PolarHBondContact OE2-OG1 2.89Å; R670-T718 PolarHBondContact NH1-OG1 3.19Å; R670-T718 VanDerWaalsContact NH1-OG1 3.15Å; R670-T718 PolarHBondContact NH2-O 3.06Å; R670-T718 PolarHBondContact NH2-OG1 3.16Å; H707-T718 PolarHBondContact CE1-O 2.84Å; H707-T718 PolarHBondContact NE2-O 3.42Å
719	V	92.1	Very high	85.2	Confident	4 Å²	4	54 Å²	54	2%	0.024	31%	0.311	C	S	.	.			trans	-137.8	122.1	177.2	-174	0	0	0	0	109.6	V268 M272 H707 V708 E723 R724	V268-V719 HydrophobicContact CG2-CB 4.2Å; V268-V719 HydrophobicContact CG2-CG1 4.04Å; V268-V719 WeakPolarHBondContact CG2-O 3.43Å; V268-V719 PolarHBondContact N-O 3.37Å; M272-V719 HydrophobicContact SD-CB 4.37Å; M272-V719 PolarHBondContact SD-N 3.33Å; H707-V719 VanDerWaalsContact O-CG2 3.29Å; H707-V719 WeakPolarHBondContact O-CG2 3.49Å; V708-V719 HydrophobicContact CG2-CG1 4.27Å; V719-E723 HydrophobicContact CG1-CB 4.47Å; V719-R724 HydrophobicContact CG1-CB 4.23Å
720	T	92.5	Very high	85.8	Confident	14 Å²	14	51 Å²	51	9%	0.086	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-77.3	154.3	175.6	65.7	0	0	0	0	111.6	P265 K266 F267 K722 E723 R724	P265-T720 HydrophobicContact CB-CG2 3.82Å; K266-T720 CarbonylContact O-C 3.57Å; K266-T720 WeakPolarHBondContact O-CA 3.18Å; F267-T720 HydrophobicContact CD1-CG2 3.99Å; F267-T720 HydrophobicContact CE1-CG2 3.63Å; F267-T720 HydrophobicContact CZ-CG2 4.24Å; T720-K722 VanDerWaalsContact C-N 3.26Å; T720-K722 PolarHBondContact O-N 2.67Å; T720-E723 WeakPolarHBondContact CB-OE2 3.5Å; T720-E723 WeakPolarHBondContact CG2-OE2 3.38Å; T720-E723 PolarHBondContact N-OE2 3.3Å; T720-E723 PolarHBondContact O-N 3.21Å; T720-E723 VanDerWaalsContact OG1-CB 3.3Å; T720-E723 WeakPolarHBondContact OG1-CB 3.4Å; T720-E723 WeakPolarHBondContact OG1-CG 3.3Å; T720-E723 PolarHBondContact OG1-N 2.93Å; T720-E723 VanDerWaalsContact OG1-N 3.1Å; T720-E723 PolarHBondContact OG1-OE2 3.22Å; T720-R724 PolarHBondContact O-N 3.22Å
721	L	91.6	Very high	86.7	Confident	54 Å²	54	50.5 Å²	50.5	28%	0.283	28%	0.281	S	S	.	.	H	α-helix	trans	-58.7	-41	172.9	-69	178.7	0	0	0	111.1	K266 V268 E723 R724 D725	K266-L721 HydrophobicContact CB-CD1 3.82Å; K266-L721 HydrophobicContact CB-CG 4.27Å; K266-L721 PolarHBondContact O-N 3.46Å; V268-L721 HydrophobicContact CG2-CD2 4.14Å; L721-E723 PolarHBondContact O-N 2.82Å; L721-R724 PolarHBondContact O-N 2.85Å; L721-D725 VanDerWaalsContact O-CB 3.32Å; L721-D725 WeakPolarHBondContact O-CB 3.21Å; L721-D725 PolarHBondContact O-N 2.73Å
722	K	92.3	Very high	87.9	Confident	125 Å²	125	52.6 Å²	52.6	54%	0.543	29%	0.294	S	S	.	.	H	α-helix	trans	-59.7	-45.3	177.3	-173.9	-175.7	175	-170.7	0	111.5	D627 T720 K726	D627-K722 IonicContact OD2-NZ 2.68Å; D627-K722 PolarHBondContact OD2-NZ 2.77Å; T720-K722 VanDerWaalsContact C-N 3.26Å; T720-K722 PolarHBondContact O-N 2.67Å; K722-K726 VanDerWaalsContact O-CB 3.23Å; K722-K726 WeakPolarHBondContact O-CB 3.46Å; K722-K726 PolarHBondContact O-N 2.98Å
723	E	93.7	Very high	88.7	Confident	9 Å²	9	53.3 Å²	53.3	4%	0.042	30%	0.296	C	S	.	.	H	α-helix	trans	-63.7	-48.3	176.9	-76.3	162.5	148	0	0	111.6	R670 C672 H707 V719 T720 L721 D725 K726 F727	R670-E723 WeakPolarHBondContact CD-OE1 3.42Å; R670-E723 IonicContact CZ-OE1 2.66Å; R670-E723 IonicContact NE-OE1 3.21Å; R670-E723 PolarHBondContact NE-OE1 3.43Å; R670-E723 IonicContact NE-OE2 2.96Å; R670-E723 IonicContact NH2-OE1 3.66Å; R670-E723 IonicContact NH2-OE2 2.64Å; C672-E723 HydrophobicContact CB-CG 4.37Å; H707-E723 IonicContact NE2-OE1 3.72Å; H707-E723 IonicContact NE2-OE2 3.34Å; V719-E723 HydrophobicContact CG1-CB 4.47Å; T720-E723 WeakPolarHBondContact CB-OE2 3.5Å; T720-E723 WeakPolarHBondContact CG2-OE2 3.38Å; T720-E723 PolarHBondContact N-OE2 3.3Å; T720-E723 PolarHBondContact O-N 3.21Å; T720-E723 VanDerWaalsContact OG1-CB 3.3Å; T720-E723 WeakPolarHBondContact OG1-CB 3.4Å; T720-E723 WeakPolarHBondContact OG1-CG 3.3Å; T720-E723 PolarHBondContact OG1-N 2.93Å; T720-E723 VanDerWaalsContact OG1-N 3.1Å; T720-E723 PolarHBondContact OG1-OE2 3.22Å; L721-E723 PolarHBondContact O-N 2.82Å; E723-D725 PolarHBondContact O-N 2.85Å; E723-K726 PolarHBondContact O-N 2.81Å; E723-F727 VanDerWaalsContact O-CB 3.24Å; E723-F727 WeakPolarHBondContact O-CB 3.02Å; E723-F727 PolarHBondContact O-N 3.34Å
724	R	92.3	Very high	90.1	Very high	83 Å²	83	48.2 Å²	48.2	31%	0.313	26%	0.263	S	S	.	.	H	α-helix	trans	-60.2	-47.3	179.2	-173.5	-161.4	65.2	-172.6	-0.9	111.6	V268 V708 V719 T720 L721 F727 N728	V268-R724 HydrophobicContact CG2-CB 3.97Å; V268-R724 HydrophobicContact CG2-CG 4.36Å; V708-R724 HydrophobicContact CG1-CG 4.13Å; V719-R724 HydrophobicContact CG1-CB 4.23Å; T720-R724 PolarHBondContact O-N 3.22Å; L721-R724 PolarHBondContact O-N 2.85Å; R724-F727 PolarHBondContact O-N 3Å; R724-N728 WeakPolarHBondContact O-CB 3.39Å; R724-N728 VanDerWaalsContact O-CG 3.27Å; R724-N728 PolarHBondContact O-N 3.36Å; R724-N728 PolarHBondContact O-ND2 3.22Å
725	D	95.3	Very high	91.3	Very high	80 Å²	80	49.1 Å²	49.1	43%	0.428	26%	0.261	S	S	.	.	H	α-helix	trans	-69.7	-41.1	-176.1	-63.7	-13.2	0	0	0	110.9	L721 E723 N728 Q729	L721-D725 VanDerWaalsContact O-CB 3.32Å; L721-D725 WeakPolarHBondContact O-CB 3.21Å; L721-D725 PolarHBondContact O-N 2.73Å; E723-D725 PolarHBondContact O-N 2.85Å; D725-N728 PolarHBondContact O-N 3.46Å; D725-Q729 PolarHBondContact O-N 2.87Å
726	K	95	Very high	92.7	Very high	63 Å²	63	48.8 Å²	48.8	27%	0.274	25%	0.251	S	S	.	.	H	α-helix	trans	-64.8	-42.1	174.4	-173.9	63.9	-174.1	172.2	0	111.6	V676 N680 K722 E723 Q729 V730	V676-K726 HydrophobicContact CG1-CG 4.02Å; V676-K726 HydrophobicContact CG2-CB 4.49Å; V676-K726 HydrophobicContact CG2-CG 3.96Å; N680-K726 PolarHBondContact OD1-NZ 3.45Å; K722-K726 VanDerWaalsContact O-CB 3.23Å; K722-K726 WeakPolarHBondContact O-CB 3.46Å; K722-K726 PolarHBondContact O-N 2.98Å; E723-K726 PolarHBondContact O-N 2.81Å; K726-Q729 VanDerWaalsContact NZ-OE1 3.13Å; K726-Q729 PolarHBondContact O-N 3.43Å; K726-V730 HydrophobicContact CD-CG2 4.39Å; K726-V730 HydrophobicContact CG-CG2 4.49Å; K726-V730 WeakPolarHBondContact O-CB 3.37Å; K726-V730 VanDerWaalsContact O-CG2 3.3Å; K726-V730 WeakPolarHBondContact O-CG2 3.41Å; K726-V730 PolarHBondContact O-N 2.97Å
727	F	95.1	Very high	93.8	Very high	1 Å²	1	48.5 Å²	48.5	0%	0.004	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-45.6	175.6	173.6	-108.7	0	0	0	111.7	V676 F701 C704 A705 V708 E723 R724 Q729 V730 K731	V676-F727 HydrophobicContact CG2-CB 4.23Å; F701-F727 AromaticContact CD2-CE2 3.93Å; F701-F727 HydrophobicContact CD2-CE2 3.93Å; F701-F727 HydrophobicContact CD2-CZ 4.39Å; F701-F727 AromaticContact CE2-CE2 3.66Å; F701-F727 HydrophobicContact CE2-CE2 3.66Å; F701-F727 AromaticContact CE2-CZ 3.71Å; F701-F727 HydrophobicContact CE2-CZ 3.71Å; F701-F727 HydrophobicContact CZ-CE2 4.35Å; F701-F727 AromaticContact CZ-CZ 4Å; F701-F727 HydrophobicContact CZ-CZ 4Å; C704-F727 HydrophobicContact CB-CD2 3.47Å; C704-F727 VanDerWaalsContact CB-CD2 3.47Å; C704-F727 HydrophobicContact CB-CE2 3.58Å; A705-F727 HydrophobicContact CB-CE2 4.42Å; A705-F727 HydrophobicContact CB-CZ 3.92Å; V708-F727 HydrophobicContact CB-CD1 4.01Å; V708-F727 HydrophobicContact CB-CE1 4.3Å; V708-F727 HydrophobicContact CG1-CD1 3.96Å; V708-F727 HydrophobicContact CG1-CE1 4.36Å; V708-F727 HydrophobicContact CG2-CB 3.95Å; V708-F727 HydrophobicContact CG2-CD1 3.84Å; V708-F727 HydrophobicContact CG2-CG 3.9Å; E723-F727 VanDerWaalsContact O-CB 3.24Å; E723-F727 WeakPolarHBondContact O-CB 3.02Å; E723-F727 PolarHBondContact O-N 3.34Å; R724-F727 PolarHBondContact O-N 3Å; F727-Q729 VanDerWaalsContact C-N 3.35Å; F727-Q729 PolarHBondContact O-N 2.99Å; F727-V730 PolarHBondContact O-N 3.49Å; F727-K731 HydrophobicContact CE1-CD 4.2Å; F727-K731 HydrophobicContact CZ-CD 4.33Å; F727-K731 VanDerWaalsContact O-CB 3.27Å; F727-K731 WeakPolarHBondContact O-CB 3.35Å; F727-K731 PolarHBondContact O-N 3.25Å
728	N	94.5	Very high	94.8	Very high	74 Å²	74	46.7 Å²	46.7	40%	0.396	23%	0.23	S	C	.	.	H	α-helix	trans	-62.1	-41.7	177.6	-74.1	-26.6	0	0	0	112	R724 D725 K731 V732	R724-N728 WeakPolarHBondContact O-CB 3.39Å; R724-N728 VanDerWaalsContact O-CG 3.27Å; R724-N728 PolarHBondContact O-N 3.36Å; R724-N728 PolarHBondContact O-ND2 3.22Å; D725-N728 PolarHBondContact O-N 3.46Å; N728-K731 PolarHBondContact O-N 2.96Å; N728-V732 WeakPolarHBondContact O-CG2 3.44Å; N728-V732 PolarHBondContact O-N 3.46Å; N728-V732 VanDerWaalsContact O-N 3.17Å
729	Q	95.9	Very high	95.1	Very high	110 Å²	110	48.2 Å²	48.2	51%	0.514	24%	0.237	S	C	.	.	H	α-helix	trans	-58.9	-49.4	174	-175.3	-172.1	36.7	0	0	111.3	D725 K726 F727 V732 R733	D725-Q729 PolarHBondContact O-N 2.87Å; K726-Q729 VanDerWaalsContact NZ-OE1 3.13Å; K726-Q729 PolarHBondContact O-N 3.43Å; F727-Q729 VanDerWaalsContact C-N 3.35Å; F727-Q729 PolarHBondContact O-N 2.99Å; Q729-V732 PolarHBondContact O-N 3.19Å; Q729-R733 PolarHBondContact O-N 2.86Å
730	V	96.4	Very high	95.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68	-35.8	-179	173.4	0	0	0	0	111.5	V676 L679 N680 L683 K726 F727 V732 R733 L734	V676-V730 HydrophobicContact CG2-CB 4.31Å; V676-V730 HydrophobicContact CG2-CG2 4.13Å; L679-V730 HydrophobicContact CB-CG1 4.04Å; L679-V730 HydrophobicContact CD2-CG1 3.47Å; L679-V730 VanDerWaalsContact CD2-CG1 3.47Å; L679-V730 HydrophobicContact CG-CG1 3.51Å; N680-V730 HydrophobicContact CB-CG2 3.87Å; L683-V730 HydrophobicContact CD1-CG1 3.84Å; K726-V730 HydrophobicContact CD-CG2 4.39Å; K726-V730 HydrophobicContact CG-CG2 4.49Å; K726-V730 WeakPolarHBondContact O-CB 3.37Å; K726-V730 VanDerWaalsContact O-CG2 3.3Å; K726-V730 WeakPolarHBondContact O-CG2 3.41Å; K726-V730 PolarHBondContact O-N 2.97Å; F727-V730 PolarHBondContact O-N 3.49Å; V730-V732 VanDerWaalsContact C-N 3.35Å; V730-V732 PolarHBondContact O-N 2.96Å; V730-R733 PolarHBondContact O-N 3.42Å; V730-L734 WeakPolarHBondContact O-CB 2.98Å; V730-L734 PolarHBondContact O-N 3.34Å
731	K	95.7	Very high	95.5	Very high	38 Å²	38	54.1 Å²	54.1	17%	0.165	26%	0.262	C	S	.	.	H	α-helix	trans	-59.7	-43.5	175.7	-179	174	-177.4	174.5	0	111.5	F701 F727 N728 R735 V768 M770	F701-K731 HydrophobicContact CE2-CB 4.19Å; F701-K731 HydrophobicContact CE2-CD 4.3Å; F701-K731 HydrophobicContact CE2-CG 3.92Å; F701-K731 HydrophobicContact CZ-CD 4.3Å; F701-K731 HydrophobicContact CZ-CG 4.27Å; F727-K731 HydrophobicContact CE1-CD 4.2Å; F727-K731 HydrophobicContact CZ-CD 4.33Å; F727-K731 VanDerWaalsContact O-CB 3.27Å; F727-K731 WeakPolarHBondContact O-CB 3.35Å; F727-K731 PolarHBondContact O-N 3.25Å; N728-K731 PolarHBondContact O-N 2.96Å; K731-R735 PolarHBondContact O-N 3.48Å; K731-V768 WeakPolarHBondContact CE-O 3.42Å; K731-V768 HydrophobicContact CG-CG1 4.21Å; K731-V768 PolarHBondContact NZ-O 2.84Å; K731-M770 PolarHBondContact NZ-O 3.35Å
732	V	96	Very high	95.7	Very high	105 Å²	105	51.5 Å²	51.5	64%	0.636	25%	0.248	S	C	*	.	H	α-helix	trans	-65.7	-43.7	176.6	174.3	0	0	0	0	111.2	N728 Q729 V730 R735 A736	N728-V732 WeakPolarHBondContact O-CG2 3.44Å; N728-V732 PolarHBondContact O-N 3.46Å; N728-V732 VanDerWaalsContact O-N 3.17Å; Q729-V732 PolarHBondContact O-N 3.19Å; V730-V732 VanDerWaalsContact C-N 3.35Å; V730-V732 PolarHBondContact O-N 2.96Å; V732-R735 PolarHBondContact O-N 2.99Å; V732-A736 PolarHBondContact O-N 3.45Å; V732-A736 VanDerWaalsContact O-N 3.11Å
733	R	97	Very high	96	Very high	51 Å²	51	46.5 Å²	46.5	19%	0.192	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-46.3	176	-70.3	-178	63.8	-165.4	3.6	112.2	N680 L683 D684 E687 Q729 V730 R735 A736 L737	N680-R733 PolarHBondContact OD1-NH1 2.89Å; L683-R733 HydrophobicContact CD1-CB 3.79Å; D684-R733 IonicContact OD1-CZ 3.03Å; D684-R733 IonicContact OD1-NH1 3.27Å; D684-R733 PolarHBondContact OD1-NH1 3.19Å; D684-R733 IonicContact OD1-NH2 3.05Å; D684-R733 PolarHBondContact OD1-NH2 3.35Å; E687-R733 IonicContact OE1-CZ 3.1Å; E687-R733 IonicContact OE1-NE 2.76Å; E687-R733 PolarHBondContact OE1-NE 3.42Å; E687-R733 IonicContact OE1-NH2 3.33Å; E687-R733 PolarHBondContact OE1-NH2 3.46Å; E687-R733 IonicContact OE2-CZ 3.95Å; E687-R733 IonicContact OE2-NH2 3.15Å; E687-R733 PolarHBondContact OE2-NH2 3.45Å; Q729-R733 PolarHBondContact O-N 2.86Å; V730-R733 PolarHBondContact O-N 3.42Å; R733-R735 VanDerWaalsContact C-N 3.33Å; R733-R735 PolarHBondContact O-N 3.39Å; R733-A736 PolarHBondContact O-N 2.77Å; R733-L737 PolarHBondContact O-N 3.24Å
734	L	97.4	Very high	96.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58.4	-46.6	177.4	176.9	60.2	0	0	0	110.6	L679 L683 L697 F701 V730 A736 L737 L738 L764 V768	L679-L734 HydrophobicContact CD2-CD2 4.37Å; L683-L734 HydrophobicContact CD1-CB 4.2Å; L683-L734 HydrophobicContact CD2-CB 4.34Å; L683-L734 HydrophobicContact CD2-CD1 3.92Å; L697-L734 HydrophobicContact CD1-CD1 4.26Å; F701-L734 HydrophobicContact CB-CD2 4.08Å; F701-L734 HydrophobicContact CD2-CD2 3.56Å; F701-L734 HydrophobicContact CE2-CD2 4.23Å; F701-L734 HydrophobicContact CG-CD2 3.9Å; V730-L734 WeakPolarHBondContact O-CB 2.98Å; V730-L734 PolarHBondContact O-N 3.34Å; L734-A736 VanDerWaalsContact C-N 3.33Å; L734-A736 PolarHBondContact O-N 3.27Å; L734-L737 PolarHBondContact O-N 2.94Å; L734-L738 HydrophobicContact CD1-CD1 4.1Å; L734-L738 HydrophobicContact CD1-CD2 4.23Å; L734-L738 HydrophobicContact CD1-CG 4.02Å; L734-L738 HydrophobicContact CG-CD1 3.96Å; L734-L738 HydrophobicContact CG-CG 4.32Å; L734-L738 VanDerWaalsContact O-CG 3.26Å; L734-L738 WeakPolarHBondContact O-CG 3.48Å; L734-L738 PolarHBondContact O-N 2.88Å; L734-L764 HydrophobicContact CD1-CD2 4.12Å; L734-L764 HydrophobicContact CD2-CD1 4.42Å; L734-L764 HydrophobicContact CD2-CD2 4.26Å; L734-L764 HydrophobicContact CD2-CG 4.42Å; L734-V768 HydrophobicContact CD2-CG2 3.56Å; L734-V768 HydrophobicContact CG-CG2 4.02Å
735	R	96.4	Very high	96.3	Very high	94 Å²	94	44.3 Å²	44.3	36%	0.355	22%	0.223	S	C	.	.	H	α-helix	trans	-54.7	-48.4	175.2	-177	179.6	170.8	162.4	5.1	112.1	K731 V732 R733 L737 L738 E739 V768	K731-R735 PolarHBondContact O-N 3.48Å; V732-R735 PolarHBondContact O-N 2.99Å; R733-R735 VanDerWaalsContact C-N 3.33Å; R733-R735 PolarHBondContact O-N 3.39Å; R735-L737 VanDerWaalsContact C-N 3.32Å; R735-L737 PolarHBondContact O-N 3.03Å; R735-L738 PolarHBondContact O-N 3.47Å; R735-E739 HydrophobicContact CG-CG 4.5Å; R735-E739 WeakPolarHBondContact CG-OE1 3.25Å; R735-E739 IonicContact CZ-OE1 3.35Å; R735-E739 IonicContact NE-OE1 2.81Å; R735-E739 PolarHBondContact NE-OE1 2.71Å; R735-E739 IonicContact NH2-OE1 2.86Å; R735-E739 PolarHBondContact NH2-OE1 2.83Å; R735-E739 WeakPolarHBondContact O-CG 3.48Å; R735-E739 PolarHBondContact O-N 3.35Å; R735-V768 HydrophobicContact CB-CG1 3.78Å; R735-V768 HydrophobicContact CG-CG1 4.37Å
736	A	96.8	Very high	96.3	Very high	61 Å²	61	41.6 Å²	41.6	50%	0.504	21%	0.207	S	C	.	.	H	α-helix	trans	-61	-40.6	179.3	0	0	0	0	0	112.2	V732 R733 L734 K740	V732-A736 PolarHBondContact O-N 3.45Å; V732-A736 VanDerWaalsContact O-N 3.11Å; R733-A736 PolarHBondContact O-N 2.77Å; L734-A736 VanDerWaalsContact C-N 3.33Å; L734-A736 PolarHBondContact O-N 3.27Å; A736-K740 WeakPolarHBondContact O-CB 3.46Å; A736-K740 PolarHBondContact O-N 2.84Å
737	L	96.7	Very high	96.1	Very high	12 Å²	12	41.2 Å²	41.2	6%	0.063	21%	0.206	C	C	.	.	H	α-helix	trans	-62.9	-46.4	175.1	-178.7	68.4	0	0	0	111.7	L683 A686 L697 R733 L734 R735 K740 Q741	L683-L737 HydrophobicContact CD2-CB 4.25Å; L683-L737 HydrophobicContact CD2-CD2 3.37Å; L683-L737 HydrophobicContact CD2-CG 4.44Å; A686-L737 HydrophobicContact CB-CD1 4.29Å; A686-L737 HydrophobicContact CB-CD2 3.73Å; L697-L737 HydrophobicContact CD1-CD2 4.48Å; R733-L737 PolarHBondContact O-N 3.24Å; L734-L737 PolarHBondContact O-N 2.94Å; R735-L737 VanDerWaalsContact C-N 3.32Å; R735-L737 PolarHBondContact O-N 3.03Å; L737-K740 WeakPolarHBondContact O-CB 3.27Å; L737-K740 PolarHBondContact O-N 3.26Å; L737-Q741 HydrophobicContact CD1-CG 4.4Å; L737-Q741 HydrophobicContact CG-CG 4.41Å; L737-Q741 WeakPolarHBondContact O-CB 3.44Å; L737-Q741 WeakPolarHBondContact O-CG 3.39Å; L737-Q741 PolarHBondContact O-N 3.22Å
738	L	97.2	Very high	96.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.9	-45	-179.1	-62.2	171.1	0	0	0	111.4	L734 R735 K740 Q741 I742 T761 L764 L765 V768	L734-L738 HydrophobicContact CD1-CD1 4.1Å; L734-L738 HydrophobicContact CD1-CD2 4.23Å; L734-L738 HydrophobicContact CD1-CG 4.02Å; L734-L738 HydrophobicContact CG-CD1 3.96Å; L734-L738 HydrophobicContact CG-CG 4.32Å; L734-L738 VanDerWaalsContact O-CG 3.26Å; L734-L738 WeakPolarHBondContact O-CG 3.48Å; L734-L738 PolarHBondContact O-N 2.88Å; R735-L738 PolarHBondContact O-N 3.47Å; L738-K740 VanDerWaalsContact C-N 3.3Å; L738-K740 PolarHBondContact O-N 2.99Å; L738-Q741 PolarHBondContact O-N 3.28Å; L738-I742 VanDerWaalsContact O-CG1 3.26Å; L738-I742 WeakPolarHBondContact O-CG1 3.36Å; L738-I742 PolarHBondContact O-N 2.92Å; L738-T761 HydrophobicContact CB-CG2 4.49Å; L738-T761 HydrophobicContact CD2-CG2 3.65Å; L738-L764 HydrophobicContact CD1-CB 4.35Å; L738-L764 HydrophobicContact CD1-CD2 4.33Å; L738-L764 HydrophobicContact CD1-CG 3.91Å; L738-L764 HydrophobicContact CD2-CD2 4.12Å; L738-L764 HydrophobicContact CD2-CG 4.41Å; L738-L765 HydrophobicContact CB-CD1 4.42Å; L738-L765 HydrophobicContact CD1-CB 4.28Å; L738-V768 HydrophobicContact CD1-CB 4.48Å; L738-V768 HydrophobicContact CD1-CG2 4.01Å
739	E	97.6	Very high	96.1	Very high	34 Å²	34	39.6 Å²	39.6	16%	0.159	20%	0.199	C	C	.	.	H	α-helix	trans	-60.8	-40.1	175.2	-69.5	-172.3	-151.1	0	0	111.3	R735 T743 V785 R788	R735-E739 HydrophobicContact CG-CG 4.5Å; R735-E739 WeakPolarHBondContact CG-OE1 3.25Å; R735-E739 IonicContact CZ-OE1 3.35Å; R735-E739 IonicContact NE-OE1 2.81Å; R735-E739 PolarHBondContact NE-OE1 2.71Å; R735-E739 IonicContact NH2-OE1 2.86Å; R735-E739 PolarHBondContact NH2-OE1 2.83Å; R735-E739 WeakPolarHBondContact O-CG 3.48Å; R735-E739 PolarHBondContact O-N 3.35Å; E739-T743 WeakPolarHBondContact O-CB 3.3Å; E739-T743 PolarHBondContact O-N 3.36Å; E739-T743 PolarHBondContact O-OG1 3.48Å; E739-V785 HydrophobicContact CG-CG1 3.87Å; E739-R788 IonicContact OE1-NH2 3.74Å; E739-R788 IonicContact OE2-CZ 3.09Å; E739-R788 IonicContact OE2-NH2 2.59Å; E739-R788 PolarHBondContact OE2-NH2 3.11Å
740	K	96	Very high	96.1	Very high	121 Å²	121	34.4 Å²	34.4	53%	0.526	18%	0.175	S	C	.	.	H	α-helix	trans	-62.5	-44.5	173.4	-177.9	-174.9	176.6	-171.5	0	111.8	A736 L737 L738 T743 N744	A736-K740 WeakPolarHBondContact O-CB 3.46Å; A736-K740 PolarHBondContact O-N 2.84Å; L737-K740 WeakPolarHBondContact O-CB 3.27Å; L737-K740 PolarHBondContact O-N 3.26Å; L738-K740 VanDerWaalsContact C-N 3.3Å; L738-K740 PolarHBondContact O-N 2.99Å; K740-T743 PolarHBondContact O-N 3.42Å; K740-N744 WeakPolarHBondContact O-CB 3.35Å; K740-N744 PolarHBondContact O-N 3.19Å; K740-N744 PolarHBondContact O-ND2 3.11Å
741	Q	96.2	Very high	96	Very high	21 Å²	21	34.6 Å²	34.6	10%	0.098	18%	0.176	C	C	.	.	H	α-helix	trans	-67.4	-39.6	179.9	-75.7	-178.8	-7.7	0	0	112.3	L737 L738 N744 F745 C748 F749 T761	L737-Q741 HydrophobicContact CD1-CG 4.4Å; L737-Q741 HydrophobicContact CG-CG 4.41Å; L737-Q741 WeakPolarHBondContact O-CB 3.44Å; L737-Q741 WeakPolarHBondContact O-CG 3.39Å; L737-Q741 PolarHBondContact O-N 3.22Å; L738-Q741 PolarHBondContact O-N 3.28Å; Q741-N744 CarbonylContact O-C 3.43Å; Q741-N744 VanDerWaalsContact O-C 3.28Å; Q741-N744 PolarHBondContact O-N 3.38Å; Q741-F745 WeakPolarHBondContact O-CA 3.21Å; Q741-F745 PolarHBondContact O-N 2.93Å; Q741-C748 HydrophobicContact CB-CB 4.33Å; Q741-C748 HydrophobicContact CG-CB 4.24Å; Q741-F749 HydrophobicContact CB-CE2 4.15Å; Q741-F749 HydrophobicContact CB-CZ 4.25Å; Q741-T761 HydrophobicContact CB-CG2 4.25Å
742	I	97.1	Very high	95.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-68.4	-41.3	175.5	-63.7	161.7	0	0	0	110.1	L738 N744 F745 T761 L762 L765 C789	L738-I742 VanDerWaalsContact O-CG1 3.26Å; L738-I742 WeakPolarHBondContact O-CG1 3.36Å; L738-I742 PolarHBondContact O-N 2.92Å; I742-N744 VanDerWaalsContact C-N 3.28Å; I742-N744 PolarHBondContact O-N 3.4Å; I742-F745 WeakPolarHBondContact O-CB 3.43Å; I742-F745 VanDerWaalsContact O-CD1 3.24Å; I742-F745 WeakPolarHBondContact O-CD1 3.24Å; I742-F745 PolarHBondContact O-N 3.42Å; I742-T761 HydrophobicContact CD1-CG2 4.48Å; I742-T761 HydrophobicContact CG1-CG2 4.04Å; I742-L762 HydrophobicContact CD1-CD2 3.85Å; I742-L762 HydrophobicContact CG1-CD2 4.11Å; I742-L762 HydrophobicContact CG2-CD2 4.46Å; I742-L765 HydrophobicContact CD1-CB 4.38Å; I742-L765 HydrophobicContact CD1-CD2 3.53Å; I742-L765 HydrophobicContact CD1-CG 4.48Å; I742-C789 HydrophobicContact CB-CB 4.06Å; I742-C789 HydrophobicContact CG2-CB 3.54Å
743	T	97.6	Very high	95.6	Very high	20 Å²	20	29.9 Å²	29.9	12%	0.123	15%	0.152	C	C	.	.	H	α-helix	trans	-63.1	-36.3	175.5	-57.8	0	0	0	0	111.8	E739 K740 N792 A793 V796	E739-T743 WeakPolarHBondContact O-CB 3.3Å; E739-T743 PolarHBondContact O-N 3.36Å; E739-T743 PolarHBondContact O-OG1 3.48Å; K740-T743 PolarHBondContact O-N 3.42Å; T743-N792 HydrophobicContact CG2-CB 3.63Å; T743-A793 WeakPolarHBondContact O-CA 3.46Å; T743-A793 WeakPolarHBondContact O-CB 3.41Å; T743-V796 HydrophobicContact CG2-CG2 4.38Å
744	N	95.8	Very high	95.3	Very high	44 Å²	44	28.2 Å²	28.2	24%	0.235	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	31.8	-178.5	-63.1	-83.5	0	0	0	112.3	K740 Q741 I742 R746 H747 C748	K740-N744 WeakPolarHBondContact O-CB 3.35Å; K740-N744 PolarHBondContact O-N 3.19Å; K740-N744 PolarHBondContact O-ND2 3.11Å; Q741-N744 CarbonylContact O-C 3.43Å; Q741-N744 VanDerWaalsContact O-C 3.28Å; Q741-N744 PolarHBondContact O-N 3.38Å; I742-N744 VanDerWaalsContact C-N 3.28Å; I742-N744 PolarHBondContact O-N 3.4Å; N744-R746 VanDerWaalsContact C-N 3.26Å; N744-R746 PolarHBondContact O-N 3.21Å; N744-R746 VanDerWaalsContact O-N 3.11Å; N744-H747 HydrophobicContact CB-CB 4.49Å; N744-H747 WeakPolarHBondContact O-CA 3.49Å; N744-H747 WeakPolarHBondContact O-CB 3.27Å; N744-H747 PolarHBondContact O-N 2.95Å; N744-C748 PolarHBondContact O-N 3.42Å
745	F	96.3	Very high	94.8	Very high	1 Å²	1	35.1 Å²	35.1	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-57.3	-34.9	-166.9	68.9	-88.6	0	0	0	114	Q741 I742 H747 F749 L758 L790 A793 I838 H842 F846	Q741-F745 WeakPolarHBondContact O-CA 3.21Å; Q741-F745 PolarHBondContact O-N 2.93Å; I742-F745 WeakPolarHBondContact O-CB 3.43Å; I742-F745 VanDerWaalsContact O-CD1 3.24Å; I742-F745 WeakPolarHBondContact O-CD1 3.24Å; I742-F745 PolarHBondContact O-N 3.42Å; F745-H747 VanDerWaalsContact C-N 3.26Å; F745-H747 PolarHBondContact O-N 3.45Å; F745-F749 HydrophobicContact CB-CD2 4.29Å; F745-F749 WeakPolarHBondContact O-CA 3.32Å; F745-F749 WeakPolarHBondContact O-CB 3.32Å; F745-F749 PolarHBondContact O-N 3.35Å; F745-L758 HydrophobicContact CB-CD1 4.01Å; F745-L758 HydrophobicContact CB-CD2 4.17Å; F745-L758 HydrophobicContact CD2-CD2 4.24Å; F745-L790 HydrophobicContact CE1-CD2 4.21Å; F745-A793 HydrophobicContact CD1-CB 4.18Å; F745-A793 HydrophobicContact CE1-CB 3.91Å; F745-I838 HydrophobicContact CE2-CG1 4.04Å; F745-I838 HydrophobicContact CE2-CG2 4.07Å; F745-I838 HydrophobicContact CZ-CD1 3.93Å; F745-I838 HydrophobicContact CZ-CG1 3.93Å; F745-I838 HydrophobicContact CZ-CG2 3.98Å; F745-H842 HydrophobicContact CD2-CB 3.96Å; F745-H842 AromaticContact CD2-CD2 3.63Å; F745-H842 AromaticContact CD2-CG 3.57Å; F745-H842 AromaticContact CD2-ND1 3.94Å; F745-H842 HydrophobicContact CE2-CB 3.75Å; F745-H842 AromaticContact CE2-CG 3.57Å; F745-H842 AromaticContact CE2-ND1 3.68Å; F745-F846 HydrophobicContact CD2-CE2 4.3Å; F745-F846 HydrophobicContact CE2-CE2 4.37Å; F745-F846 HydrophobicContact CG-CE2 4.49Å; F745-F846 HydrophobicContact CG-CZ 4.48Å
746	R	94.7	Very high	94.4	Very high	24 Å²	24	32.7 Å²	32.7	9%	0.091	18%	0.184	C	C	.	.	H	α-helix	trans	-64.5	-29.7	175.9	-69.5	-177.8	66.9	-138.3	7.5	113.5	R125 N744 P750 N797 E837 I838	R125-R746 VanDerWaalsContact CD-O 3.3Å; R125-R746 WeakPolarHBondContact CD-O 3.47Å; R125-R746 PolarHBondContact NH1-O 2.93Å; N744-R746 VanDerWaalsContact C-N 3.26Å; N744-R746 PolarHBondContact O-N 3.21Å; N744-R746 VanDerWaalsContact O-N 3.11Å; R746-P750 WeakPolarHBondContact O-CA 3.37Å; R746-N797 PolarHBondContact NH1-OD1 3.41Å; R746-E837 IonicContact CZ-OE2 2.86Å; R746-E837 IonicContact NE-OE2 2.8Å; R746-E837 IonicContact NH2-OE2 2.79Å; R746-E837 PolarHBondContact NH2-OE2 2.68Å; R746-I838 HydrophobicContact CG-CG1 4.19Å
747	H	92.8	Very high	94.3	Very high	55 Å²	55	30 Å²	30	26%	0.255	16%	0.161	S	C	.	.	H	α-helix	trans	-90.7	-39.7	-179.9	-80.1	-65.1	0	0	0	112.4	R125 N744 F745 K800	R125-H747 VanDerWaalsContact CG-CE1 3.45Å; R125-H747 WeakPolarHBondContact CG-CE1 3.32Å; R125-H747 WeakPolarHBondContact CG-ND1 3.3Å; N744-H747 HydrophobicContact CB-CB 4.49Å; N744-H747 WeakPolarHBondContact O-CA 3.49Å; N744-H747 WeakPolarHBondContact O-CB 3.27Å; N744-H747 PolarHBondContact O-N 2.95Å; F745-H747 VanDerWaalsContact C-N 3.26Å; F745-H747 PolarHBondContact O-N 3.45Å; H747-K800 PolarHBondContact CE1-NZ 2.87Å; H747-K800 WeakPolarHBondContact NE2-CD 3.38Å; H747-K800 PolarHBondContact NE2-NZ 3.48Å
748	C	94.1	Very high	94.2	Very high	34 Å²	34	29.8 Å²	29.8	23%	0.23	16%	0.16	C	C	.	.	H	α-helix	trans	-74.7	-29.2	177.6	-64.7	0	0	0	0	112.2	Q741 N744	Q741-C748 HydrophobicContact CB-CB 4.33Å; Q741-C748 HydrophobicContact CG-CB 4.24Å; N744-C748 PolarHBondContact O-N 3.42Å
749	F	95.1	Very high	94.1	Very high	7 Å²	7	35.6 Å²	35.6	3%	0.031	19%	0.186	C	C	.	.	S	Bend	trans	-130.5	64.7	180	-47.1	-70.8	0	0	0	111.4	P694 Q741 F745 F751 G752 R753 A757 L758 T761 H842	P694-F749 HydrophobicContact CG-CE1 4.3Å; Q741-F749 HydrophobicContact CB-CE2 4.15Å; Q741-F749 HydrophobicContact CB-CZ 4.25Å; F745-F749 HydrophobicContact CB-CD2 4.29Å; F745-F749 WeakPolarHBondContact O-CA 3.32Å; F745-F749 WeakPolarHBondContact O-CB 3.32Å; F745-F749 PolarHBondContact O-N 3.35Å; F749-F751 PolarHBondContact O-N 3.16Å; F749-G752 PolarHBondContact O-N 3.36Å; F749-G752 VanDerWaalsContact O-N 3.16Å; F749-R753 CarbonylContact C-O 3.57Å; F749-R753 VanDerWaalsContact CA-O 3.25Å; F749-R753 WeakPolarHBondContact CA-O 3.45Å; F749-A757 HydrophobicContact CD1-CB 3.67Å; F749-A757 HydrophobicContact CE1-CB 3.68Å; F749-L758 HydrophobicContact CB-CB 4.45Å; F749-L758 HydrophobicContact CD2-CB 3.8Å; F749-L758 HydrophobicContact CD2-CD1 3.73Å; F749-L758 HydrophobicContact CD2-CG 4.21Å; F749-L758 HydrophobicContact CE2-CB 4.18Å; F749-L758 HydrophobicContact CE2-CD1 3.68Å; F749-L758 HydrophobicContact CG-CB 4.02Å; F749-T761 HydrophobicContact CZ-CG2 4.29Å; F749-T761 VanDerWaalsContact CZ-OG1 3.24Å; F749-T761 WeakPolarHBondContact CZ-OG1 3.4Å; F749-H842 PolarHBondContact O-NE2 3.04Å
750	P	94.5	Very high	94	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-62.7	131.2	-176.5	23.7	-28.1	0	0	0	110.9	R125 A129 F135 R746 G752 R753	R125-P750 HydrophobicContact CB-CB 3.78Å; R125-P750 HydrophobicContact CB-CG 4.48Å; A129-P750 HydrophobicContact CB-CG 3.83Å; F135-P750 HydrophobicContact CE1-CG 4.08Å; F135-P750 HydrophobicContact CZ-CB 4.47Å; F135-P750 HydrophobicContact CZ-CG 3.79Å; R746-P750 WeakPolarHBondContact O-CA 3.37Å; P750-G752 PolarHBondContact O-N 3Å; P750-R753 WeakPolarHBondContact O-CB 3.46Å; P750-R753 PolarHBondContact O-N 3.42Å
751	F	94.2	Very high	94	Very high	5 Å²	5	29.1 Å²	29.1	2%	0.022	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	54.3	31.9	-177.2	-52.2	-85.7	0	0	0	113.5	V119 F120 V126 V143 F749 R753 Y841	V119-F751 HydrophobicContact CG1-CE1 4.09Å; V119-F751 HydrophobicContact CG1-CZ 4.49Å; V119-F751 WeakPolarHBondContact O-CZ 2.97Å; F120-F751 HydrophobicContact CB-CE1 4.49Å; F120-F751 HydrophobicContact CB-CZ 4.37Å; F120-F751 HydrophobicContact CD2-CB 4.46Å; F120-F751 HydrophobicContact CD2-CD1 4.09Å; F120-F751 AromaticContact CD2-CD2 3.43Å; F120-F751 HydrophobicContact CD2-CD2 3.43Å; F120-F751 VanDerWaalsContact CD2-CD2 3.43Å; F120-F751 HydrophobicContact CD2-CE1 4.21Å; F120-F751 AromaticContact CD2-CE2 3.6Å; F120-F751 HydrophobicContact CD2-CE2 3.6Å; F120-F751 AromaticContact CD2-CG 3.71Å; F120-F751 HydrophobicContact CD2-CG 3.71Å; F120-F751 AromaticContact CD2-CZ 3.98Å; F120-F751 HydrophobicContact CD2-CZ 3.98Å; F120-F751 HydrophobicContact CE2-CB 4.43Å; F120-F751 AromaticContact CE2-CD2 3.69Å; F120-F751 HydrophobicContact CE2-CD2 3.69Å; F120-F751 HydrophobicContact CE2-CE2 4.2Å; F120-F751 HydrophobicContact CE2-CG 4.06Å; V126-F751 HydrophobicContact CG2-CD2 3.89Å; V126-F751 HydrophobicContact CG2-CE2 3.55Å; V143-F751 HydrophobicContact CG1-CB 4.25Å; V143-F751 HydrophobicContact CG1-CG 4.44Å; V143-F751 HydrophobicContact CG2-CB 4.09Å; F749-F751 PolarHBondContact O-N 3.16Å; F751-R753 PolarHBondContact O-N 2.98Å; F751-Y841 HydrophobicContact CB-CD1 4.19Å; F751-Y841 HydrophobicContact CB-CE1 4.3Å; F751-Y841 HydrophobicContact CB-CG 4.46Å; F751-Y841 HydrophobicContact CD1-CD2 4.21Å; F751-Y841 HydrophobicContact CD1-CE1 4.28Å; F751-Y841 AromaticContact CD1-CE2 3.79Å; F751-Y841 HydrophobicContact CD1-CE2 3.79Å; F751-Y841 AromaticContact CD1-CZ 3.83Å; F751-Y841 HydrophobicContact CE1-CE2 4.38Å
752	G	92.3	Very high	93.9	Very high	20 Å²	20	28.6 Å²	28.6	21%	0.206	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	71	15.9	-179.6	0	0	0	0	0	114.1	F749 P750 P754	F749-G752 PolarHBondContact O-N 3.36Å; F749-G752 VanDerWaalsContact O-N 3.16Å; P750-G752 PolarHBondContact O-N 3Å; G752-P754 CarbonylContact O-C 3.57Å; G752-P754 VanDerWaalsContact O-O 3.12Å
753	R	92.4	Very high	93.7	Very high	24 Å²	24	30.9 Å²	30.9	9%	0.091	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-103.9	143.6	-177.7	-61.7	-66.1	168.5	-171.3	-12	112.6	F135 V143 F749 P750 F751 E755	F135-R753 HydrophobicContact CD1-CB 4.43Å; F135-R753 HydrophobicContact CE1-CB 3.55Å; F135-R753 HydrophobicContact CZ-CB 3.68Å; F135-R753 HydrophobicContact CZ-CG 4.3Å; V143-R753 HydrophobicContact CG2-CG 3.82Å; F749-R753 CarbonylContact C-O 3.57Å; F749-R753 VanDerWaalsContact CA-O 3.25Å; F749-R753 WeakPolarHBondContact CA-O 3.45Å; P750-R753 WeakPolarHBondContact O-CB 3.46Å; P750-R753 PolarHBondContact O-N 3.42Å; F751-R753 PolarHBondContact O-N 2.98Å; R753-E755 IonicContact CZ-OE2 2.78Å; R753-E755 IonicContact NH1-OE2 2.65Å; R753-E755 PolarHBondContact NH1-OE2 3.3Å; R753-E755 IonicContact NH2-OE2 3.82Å
754	P	89.4	Confident	93.5	Very high	16 Å²	16	29.9 Å²	29.9	10%	0.104	17%	0.168	C	C	.	.	S	Bend	cis	-65.2	152.8	-5.3	-18.6	33.1	0	0	0	112	L649 M691 G752 G756 A757	L649-P754 HydrophobicContact CD1-CB 4.18Å; L649-P754 HydrophobicContact CD1-CG 3.93Å; L649-P754 HydrophobicContact CD2-CG 4.27Å; M691-P754 HydrophobicContact CG-CG 4.48Å; M691-P754 VanDerWaalsContact SD-CD 3.54Å; M691-P754 HydrophobicContact SD-CG 3.77Å; G752-P754 CarbonylContact O-C 3.57Å; G752-P754 VanDerWaalsContact O-O 3.12Å; P754-G756 PolarHBondContact O-N 3.49Å; P754-A757 HydrophobicContact CB-CB 4.25Å; P754-A757 HydrophobicContact CG-CB 4.47Å; P754-A757 WeakPolarHBondContact O-CB 3.45Å; P754-A757 PolarHBondContact O-N 3.29Å
755	E	86.7	Confident	93.4	Very high	144 Å²	144	27.8 Å²	27.8	67%	0.673	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	130.1	-173	-161.8	170	142.5	0	0	112	R753 A757	R753-E755 IonicContact CZ-OE2 2.78Å; R753-E755 IonicContact NH1-OE2 2.65Å; R753-E755 PolarHBondContact NH1-OE2 3.3Å; R753-E755 IonicContact NH2-OE2 3.82Å; E755-A757 PolarHBondContact O-N 2.92Å; E755-A757 VanDerWaalsContact O-N 3.16Å
756	G	89.7	Confident	93.2	Very high	44 Å²	44	31.3 Å²	31.3	45%	0.454	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	-0.3	-179.5	0	0	0	0	0	115	P754 L758 K759 A760	P754-G756 PolarHBondContact O-N 3.49Å; G756-L758 PolarHBondContact O-N 3.43Å; G756-K759 WeakPolarHBondContact O-CB 3.39Å; G756-K759 PolarHBondContact O-N 2.96Å; G756-A760 WeakPolarHBondContact O-CB 3.44Å; G756-A760 PolarHBondContact O-N 3.21Å
757	A	93.5	Very high	92.9	Very high	3 Å²	3	35.2 Å²	35.2	3%	0.025	19%	0.188	C	C	.	.	H	α-helix	trans	-62.5	-42.1	-177	0	0	0	0	0	112.6	P694 F749 P754 E755 K759 A760 T761	P694-A757 HydrophobicContact CG-CB 4.05Å; F749-A757 HydrophobicContact CD1-CB 3.67Å; F749-A757 HydrophobicContact CE1-CB 3.68Å; P754-A757 HydrophobicContact CB-CB 4.25Å; P754-A757 HydrophobicContact CG-CB 4.47Å; P754-A757 WeakPolarHBondContact O-CB 3.45Å; P754-A757 PolarHBondContact O-N 3.29Å; E755-A757 PolarHBondContact O-N 2.92Å; E755-A757 VanDerWaalsContact O-N 3.16Å; A757-K759 VanDerWaalsContact C-N 3.34Å; A757-K759 PolarHBondContact O-N 3.41Å; A757-A760 PolarHBondContact O-N 2.98Å; A757-T761 WeakPolarHBondContact O-CB 3.42Å; A757-T761 PolarHBondContact O-N 2.99Å; A757-T761 PolarHBondContact O-OG1 3.34Å
758	L	95.6	Very high	92.9	Very high	8 Å²	8	32.9 Å²	32.9	4%	0.042	18%	0.178	C	C	.	.	H	α-helix	trans	-63	-40.8	175.5	178.8	56.2	0	0	0	111.7	F745 F749 G756 T761 L762 H842 A845 F846	F745-L758 HydrophobicContact CB-CD1 4.01Å; F745-L758 HydrophobicContact CB-CD2 4.17Å; F745-L758 HydrophobicContact CD2-CD2 4.24Å; F749-L758 HydrophobicContact CB-CB 4.45Å; F749-L758 HydrophobicContact CD2-CB 3.8Å; F749-L758 HydrophobicContact CD2-CD1 3.73Å; F749-L758 HydrophobicContact CD2-CG 4.21Å; F749-L758 HydrophobicContact CE2-CB 4.18Å; F749-L758 HydrophobicContact CE2-CD1 3.68Å; F749-L758 HydrophobicContact CG-CB 4.02Å; G756-L758 PolarHBondContact O-N 3.43Å; L758-T761 VanDerWaalsContact O-CB 3.32Å; L758-T761 WeakPolarHBondContact O-CB 3.36Å; L758-T761 PolarHBondContact O-N 3.22Å; L758-L762 WeakPolarHBondContact O-CG 3.46Å; L758-L762 PolarHBondContact O-N 3.25Å; L758-H842 HydrophobicContact CD2-CB 4.13Å; L758-A845 HydrophobicContact CB-CB 3.98Å; L758-A845 HydrophobicContact CD2-CB 3.78Å; L758-A845 HydrophobicContact CG-CB 3.7Å; L758-F846 HydrophobicContact CD1-CZ 4.37Å; L758-F846 HydrophobicContact CD2-CD2 4.48Å; L758-F846 HydrophobicContact CD2-CE2 3.73Å; L758-F846 HydrophobicContact CD2-CZ 4.05Å
759	K	94.7	Very high	92.7	Very high	122 Å²	122	32.6 Å²	32.6	53%	0.53	17%	0.174	S	C	.	.	H	α-helix	trans	-64.1	-42.8	175.6	-175.5	176.9	-178	172.1	0	111.7	G756 A757 T761 L762 S763 A845	G756-K759 WeakPolarHBondContact O-CB 3.39Å; G756-K759 PolarHBondContact O-N 2.96Å; A757-K759 VanDerWaalsContact C-N 3.34Å; A757-K759 PolarHBondContact O-N 3.41Å; K759-T761 VanDerWaalsContact C-N 3.29Å; K759-T761 PolarHBondContact O-N 2.81Å; K759-L762 PolarHBondContact O-N 3.09Å; K759-S763 PolarHBondContact O-N 3.29Å; K759-A845 HydrophobicContact CB-CB 4.21Å
760	A	94.5	Very high	92.2	Very high	19 Å²	19	34.1 Å²	34.1	16%	0.157	18%	0.181	C	C	.	.	H	α-helix	trans	-63.5	-36.4	174.5	0	0	0	0	0	111.9	P694 G756 A757 S763 L764	P694-A760 HydrophobicContact CB-CB 3.97Å; G756-A760 WeakPolarHBondContact O-CB 3.44Å; G756-A760 PolarHBondContact O-N 3.21Å; A757-A760 PolarHBondContact O-N 2.98Å; A760-S763 PolarHBondContact O-N 3.45Å; A760-L764 VanDerWaalsContact O-CB 3.32Å; A760-L764 WeakPolarHBondContact O-CB 3.35Å; A760-L764 PolarHBondContact O-N 2.73Å
761	T	96.4	Very high	91.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.3	-45.9	174.8	-57.4	0	0	0	0	111.3	P694 L738 Q741 I742 F749 A757 L758 K759 L764 L765	P694-T761 WeakPolarHBondContact CG-OG1 3.26Å; L738-T761 HydrophobicContact CB-CG2 4.49Å; L738-T761 HydrophobicContact CD2-CG2 3.65Å; Q741-T761 HydrophobicContact CB-CG2 4.25Å; I742-T761 HydrophobicContact CD1-CG2 4.48Å; I742-T761 HydrophobicContact CG1-CG2 4.04Å; F749-T761 HydrophobicContact CZ-CG2 4.29Å; F749-T761 VanDerWaalsContact CZ-OG1 3.24Å; F749-T761 WeakPolarHBondContact CZ-OG1 3.4Å; A757-T761 WeakPolarHBondContact O-CB 3.42Å; A757-T761 PolarHBondContact O-N 2.99Å; A757-T761 PolarHBondContact O-OG1 3.34Å; L758-T761 VanDerWaalsContact O-CB 3.32Å; L758-T761 WeakPolarHBondContact O-CB 3.36Å; L758-T761 PolarHBondContact O-N 3.22Å; K759-T761 VanDerWaalsContact C-N 3.29Å; K759-T761 PolarHBondContact O-N 2.81Å; T761-L764 PolarHBondContact O-N 3.29Å; T761-L765 PolarHBondContact O-N 3.3Å
762	L	94.6	Very high	90	Very high	11 Å²	11	44.3 Å²	44.3	6%	0.058	23%	0.228	C	C	.	.	H	α-helix	trans	-63.9	-44.2	176.2	-69.6	167.1	0	0	0	112	I742 L758 K759 L764 L765 E766 V786 A845 F846	I742-L762 HydrophobicContact CD1-CD2 3.85Å; I742-L762 HydrophobicContact CG1-CD2 4.11Å; I742-L762 HydrophobicContact CG2-CD2 4.46Å; L758-L762 WeakPolarHBondContact O-CG 3.46Å; L758-L762 PolarHBondContact O-N 3.25Å; K759-L762 PolarHBondContact O-N 3.09Å; L762-L764 VanDerWaalsContact C-N 3.32Å; L762-L764 PolarHBondContact O-N 3.32Å; L762-L765 WeakPolarHBondContact O-CB 3.47Å; L762-L765 PolarHBondContact O-N 3.04Å; L762-E766 PolarHBondContact O-N 3.42Å; L762-E766 VanDerWaalsContact O-N 3.16Å; L762-V786 HydrophobicContact CD2-CG1 4.43Å; L762-V786 HydrophobicContact CD2-CG2 3.96Å; L762-A845 VanDerWaalsContact CD1-O 3.27Å; L762-A845 WeakPolarHBondContact CD1-O 3.27Å; L762-F846 HydrophobicContact CD1-CD1 3.89Å; L762-F846 HydrophobicContact CD1-CE1 3.9Å; L762-F846 HydrophobicContact CD2-CE1 4.14Å
763	S	91.8	Very high	88.9	Confident	47 Å²	47	46.8 Å²	46.8	33%	0.329	24%	0.235	S	C	.	.	H	α-helix	trans	-64.9	-35.8	176.7	-175.5	0	0	0	0	112.5	K759 A760 R767	K759-S763 PolarHBondContact O-N 3.29Å; A760-S763 PolarHBondContact O-N 3.45Å; S763-R767 PolarHBondContact O-N 3.36Å
764	L	94.4	Very high	87.5	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-68.9	-38.2	174.6	-176.8	52.1	0	0	0	111.6	L697 H698 F701 L734 L738 A760 T761 L762 E766 R767 V768	L697-L764 HydrophobicContact CB-CD2 3.66Å; H698-L764 HydrophobicContact CB-CB 4.4Å; H698-L764 HydrophobicContact CB-CD1 3.88Å; H698-L764 HydrophobicContact CB-CD2 4.14Å; H698-L764 HydrophobicContact CB-CG 4.36Å; F701-L764 HydrophobicContact CB-CD1 4.13Å; F701-L764 HydrophobicContact CD1-CD1 3.96Å; F701-L764 HydrophobicContact CG-CD1 4.2Å; L734-L764 HydrophobicContact CD1-CD2 4.12Å; L734-L764 HydrophobicContact CD2-CD1 4.42Å; L734-L764 HydrophobicContact CD2-CD2 4.26Å; L734-L764 HydrophobicContact CD2-CG 4.42Å; L738-L764 HydrophobicContact CD1-CB 4.35Å; L738-L764 HydrophobicContact CD1-CD2 4.33Å; L738-L764 HydrophobicContact CD1-CG 3.91Å; L738-L764 HydrophobicContact CD2-CD2 4.12Å; L738-L764 HydrophobicContact CD2-CG 4.41Å; A760-L764 VanDerWaalsContact O-CB 3.32Å; A760-L764 WeakPolarHBondContact O-CB 3.35Å; A760-L764 PolarHBondContact O-N 2.73Å; T761-L764 PolarHBondContact O-N 3.29Å; L762-L764 VanDerWaalsContact C-N 3.32Å; L762-L764 PolarHBondContact O-N 3.32Å; L764-E766 VanDerWaalsContact C-N 3.32Å; L764-E766 PolarHBondContact O-N 2.84Å; L764-R767 PolarHBondContact O-N 3.03Å; L764-V768 HydrophobicContact CD1-CG2 4.13Å; L764-V768 HydrophobicContact CG-CG2 4.29Å; L764-V768 VanDerWaalsContact O-CG2 3.3Å; L764-V768 WeakPolarHBondContact O-CG2 3.49Å; L764-V768 PolarHBondContact O-N 3.44Å
765	L	94.5	Very high	86.5	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58	-46.1	175.2	177	66	0	0	0	111.2	L738 I742 T761 L762 R767 V768 L769 V785 V786	L738-L765 HydrophobicContact CB-CD1 4.42Å; L738-L765 HydrophobicContact CD1-CB 4.28Å; I742-L765 HydrophobicContact CD1-CB 4.38Å; I742-L765 HydrophobicContact CD1-CD2 3.53Å; I742-L765 HydrophobicContact CD1-CG 4.48Å; T761-L765 PolarHBondContact O-N 3.3Å; L762-L765 WeakPolarHBondContact O-CB 3.47Å; L762-L765 PolarHBondContact O-N 3.04Å; L765-R767 VanDerWaalsContact C-N 3.3Å; L765-R767 PolarHBondContact O-N 2.78Å; L765-V768 PolarHBondContact O-N 3.25Å; L765-V768 VanDerWaalsContact O-N 3.15Å; L765-L769 HydrophobicContact CD1-CD1 4.13Å; L765-L769 HydrophobicContact CD1-CG 4.19Å; L765-L769 HydrophobicContact CG-CD1 4Å; L765-L769 HydrophobicContact CG-CG 4.45Å; L765-L769 WeakPolarHBondContact O-CG 3.29Å; L765-L769 PolarHBondContact O-N 3.06Å; L765-V785 HydrophobicContact CD1-CG1 4.36Å; L765-V785 HydrophobicContact CD2-CB 4.45Å; L765-V785 HydrophobicContact CD2-CG1 3.92Å; L765-V786 HydrophobicContact CD2-CG2 4.03Å
766	E	90.8	Very high	85.7	Confident	74 Å²	74	50.7 Å²	50.7	35%	0.346	28%	0.278	S	S	.	.	H	α-helix	trans	-53.1	-48.1	175.5	174.9	178.4	-164.8	0	0	111.4	L762 L764 V768 L769 M770 V782	L762-E766 PolarHBondContact O-N 3.42Å; L762-E766 VanDerWaalsContact O-N 3.16Å; L764-E766 VanDerWaalsContact C-N 3.32Å; L764-E766 PolarHBondContact O-N 2.84Å; E766-V768 PolarHBondContact O-N 3.27Å; E766-L769 PolarHBondContact O-N 2.98Å; E766-M770 PolarHBondContact O-N 2.86Å; E766-V782 HydrophobicContact CB-CG1 4.31Å; E766-V782 HydrophobicContact CB-CG2 4.13Å; E766-V782 HydrophobicContact CG-CG2 4.05Å
767	R	88.9	Confident	84.9	Confident	107 Å²	107	49 Å²	49	40%	0.404	26%	0.26	S	S	.	.	H	α-helix	trans	-66.8	-36.7	178.1	-67.8	-168.3	-178.3	-136	5.7	113.7	H698 F701 S763 L764 L765 L769 M770	H698-R767 VanDerWaalsContact CE1-CD 3.42Å; H698-R767 WeakPolarHBondContact CE1-CD 3.31Å; H698-R767 PolarHBondContact CE1-NE 3.44Å; H698-R767 VanDerWaalsContact NE2-CD 3.28Å; H698-R767 WeakPolarHBondContact NE2-CD 3.44Å; H698-R767 PolarHBondContact NE2-NE 3.21Å; F701-R767 HydrophobicContact CE1-CB 4.24Å; S763-R767 PolarHBondContact O-N 3.36Å; L764-R767 PolarHBondContact O-N 3.03Å; L765-R767 VanDerWaalsContact C-N 3.3Å; L765-R767 PolarHBondContact O-N 2.78Å; R767-L769 PolarHBondContact O-N 3.01Å; R767-M770 HydrophobicContact CG-SD 4.45Å; R767-M770 WeakPolarHBondContact O-CB 3.39Å; R767-M770 PolarHBondContact O-N 3.31Å
768	V	92.5	Very high	84.1	Confident	5 Å²	5	52.2 Å²	52.2	3%	0.03	28%	0.279	C	S	.	.	H	α-helix	trans	-67.1	-30.4	177.6	170	0	0	0	0	111.1	F701 K731 L734 R735 L738 L764 L765 E766	F701-V768 HydrophobicContact CD1-CG2 4.21Å; F701-V768 HydrophobicContact CD2-CG2 4.28Å; F701-V768 HydrophobicContact CE1-CG2 3.89Å; F701-V768 HydrophobicContact CE2-CG2 3.96Å; F701-V768 HydrophobicContact CG-CG2 4.4Å; F701-V768 HydrophobicContact CZ-CB 4.3Å; F701-V768 HydrophobicContact CZ-CG2 3.76Å; K731-V768 WeakPolarHBondContact CE-O 3.42Å; K731-V768 HydrophobicContact CG-CG1 4.21Å; K731-V768 PolarHBondContact NZ-O 2.84Å; L734-V768 HydrophobicContact CD2-CG2 3.56Å; L734-V768 HydrophobicContact CG-CG2 4.02Å; R735-V768 HydrophobicContact CB-CG1 3.78Å; R735-V768 HydrophobicContact CG-CG1 4.37Å; L738-V768 HydrophobicContact CD1-CB 4.48Å; L738-V768 HydrophobicContact CD1-CG2 4.01Å; L764-V768 HydrophobicContact CD1-CG2 4.13Å; L764-V768 HydrophobicContact CG-CG2 4.29Å; L764-V768 VanDerWaalsContact O-CG2 3.3Å; L764-V768 WeakPolarHBondContact O-CG2 3.49Å; L764-V768 PolarHBondContact O-N 3.44Å; L765-V768 PolarHBondContact O-N 3.25Å; L765-V768 VanDerWaalsContact O-N 3.15Å; E766-V768 PolarHBondContact O-N 3.27Å
769	L	90.7	Very high	83.3	Confident	29 Å²	29	55.7 Å²	55.7	15%	0.152	31%	0.309	C	S	.	.	H	α-helix	trans	-77.8	-17.1	177.5	-68.8	172.7	0	0	0	113.7	L765 E766 R767 K771 A777 V782 V785	L765-L769 HydrophobicContact CD1-CD1 4.13Å; L765-L769 HydrophobicContact CD1-CG 4.19Å; L765-L769 HydrophobicContact CG-CD1 4Å; L765-L769 HydrophobicContact CG-CG 4.45Å; L765-L769 WeakPolarHBondContact O-CG 3.29Å; L765-L769 PolarHBondContact O-N 3.06Å; E766-L769 PolarHBondContact O-N 2.98Å; R767-L769 PolarHBondContact O-N 3.01Å; L769-K771 PolarHBondContact O-N 3.47Å; L769-A777 HydrophobicContact CB-CB 4.08Å; L769-V782 HydrophobicContact CD1-CB 4.4Å; L769-V782 HydrophobicContact CD1-CG2 4.08Å; L769-V785 HydrophobicContact CD1-CB 4.36Å; L769-V785 HydrophobicContact CD1-CG2 4.04Å; L769-V785 HydrophobicContact CD2-CG2 4.36Å
770	M	84	Confident	82.8	Confident	38 Å²	38	57.7 Å²	57.7	19%	0.187	32%	0.32	C	S	.	.			trans	-60.1	136.4	175.2	-63.8	174.1	75.9	0	0	111.4	K731 E766 R767 D772 A777	K731-M770 PolarHBondContact NZ-O 3.35Å; E766-M770 PolarHBondContact O-N 2.86Å; R767-M770 HydrophobicContact CG-SD 4.45Å; R767-M770 WeakPolarHBondContact O-CB 3.39Å; R767-M770 PolarHBondContact O-N 3.31Å; M770-D772 WeakPolarHBondContact CB-O 3.31Å; M770-D772 WeakPolarHBondContact CE-O 3.46Å; M770-A777 HydrophobicContact CG-CB 4.19Å
771	K	74.1	Confident	82.6	Confident	162 Å²	162	60.9 Å²	60.9	70%	0.704	33%	0.332	S	S	*	.	S	Bend	trans	-73.8	-38.6	175.5	-70.4	-178.3	-177.8	171.4	0	111.5	H709 L769	H709-K771 PolarHBondContact CE1-O 3.08Å; L769-K771 PolarHBondContact O-N 3.47Å
772	D	69.1	Low	82.3	Confident	57 Å²	57	61.1 Å²	61.1	31%	0.305	33%	0.334	S	S	.	.	S	Bend	trans	-146	175.9	176.2	65.2	63.8	0	0	0	110	M770 V774 T775	M770-D772 WeakPolarHBondContact CB-O 3.31Å; M770-D772 WeakPolarHBondContact CE-O 3.46Å; D772-V774 VanDerWaalsContact C-N 3.28Å; D772-V774 PolarHBondContact O-N 3.42Å; D772-V774 WeakPolarHBondContact OD1-CA 3.36Å; D772-V774 PolarHBondContact OD1-N 3.38Å; D772-T775 VanDerWaalsContact CG-OG1 3.28Å; D772-T775 WeakPolarHBondContact OD1-CB 3.35Å; D772-T775 PolarHBondContact OD1-N 2.97Å; D772-T775 PolarHBondContact OD1-OG1 3.22Å; D772-T775 VanDerWaalsContact OD1-OG1 3.12Å; D772-T775 VanDerWaalsContact OD2-CB 3.32Å; D772-T775 WeakPolarHBondContact OD2-CB 3.48Å; D772-T775 PolarHBondContact OD2-OG1 3.03Å
773	M	67.5	Low	82.1	Confident	72 Å²	72	62.4 Å²	62.4	36%	0.355	34%	0.344	S	S	.	.	S	Bend	trans	-71.4	-15.4	-176.1	-75.7	-83.5	-70.7	0	0	114.5	A705 H709 T711	A705-M773 HydrophobicContact CB-SD 4.03Å; H709-M773 HydrophobicContact CB-CB 4.38Å; H709-M773 HydrophobicContact CB-CG 3.8Å; T711-M773 HydrophobicContact CG2-CB 3.97Å; T711-M773 HydrophobicContact CG2-CG 4.4Å; T711-M773 WeakPolarHBondContact OG1-CE 3.43Å
774	V	63.8	Low	82.2	Confident	125 Å²	125	63 Å²	63	76%	0.758	35%	0.352	S	S	*	.	S	Bend	trans	-105.3	-39.6	-173.3	-175.8	0	0	0	0	111	D772 A776	D772-V774 VanDerWaalsContact C-N 3.28Å; D772-V774 PolarHBondContact O-N 3.42Å; D772-V774 WeakPolarHBondContact OD1-CA 3.36Å; D772-V774 PolarHBondContact OD1-N 3.38Å; V774-A776 PolarHBondContact O-N 3.38Å; V774-A776 VanDerWaalsContact O-N 3.11Å
775	T	69.1	Low	82.3	Confident	77 Å²	77	63.7 Å²	63.7	47%	0.472	36%	0.356	S	S	.	.	S	Bend	trans	-79.6	92.5	176.9	-48.2	0	0	0	0	108.6	D772 A777	D772-T775 VanDerWaalsContact CG-OG1 3.28Å; D772-T775 WeakPolarHBondContact OD1-CB 3.35Å; D772-T775 PolarHBondContact OD1-N 2.97Å; D772-T775 PolarHBondContact OD1-OG1 3.22Å; D772-T775 VanDerWaalsContact OD1-OG1 3.12Å; D772-T775 VanDerWaalsContact OD2-CB 3.32Å; D772-T775 WeakPolarHBondContact OD2-CB 3.48Å; D772-T775 PolarHBondContact OD2-OG1 3.03Å; T775-A777 PolarHBondContact O-N 2.91Å
776	A	70.4	Confident	82.4	Confident	65 Å²	65	63.7 Å²	63.7	54%	0.537	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-52	138.5	170.8	0	0	0	0	0	110.4	V774 T778	V774-A776 PolarHBondContact O-N 3.38Å; V774-A776 VanDerWaalsContact O-N 3.11Å; A776-T778 PolarHBondContact O-N 3.35Å
777	A	72.1	Confident	82.6	Confident	9 Å²	9	63.7 Å²	63.7	7%	0.074	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-57.1	137.6	166	0	0	0	0	0	107.5	L769 M770 T775 A779 V782	L769-A777 HydrophobicContact CB-CB 4.08Å; M770-A777 HydrophobicContact CG-CB 4.19Å; T775-A777 PolarHBondContact O-N 2.91Å; A777-A779 PolarHBondContact O-N 2.92Å; A777-V782 HydrophobicContact CB-CG2 3.95Å
778	T	76	Confident	83	Confident	69 Å²	69	64 Å²	64	42%	0.423	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-65.5	139.3	177.1	59.4	0	0	0	0	108.3	A776 Q780 E781 V782	A776-T778 PolarHBondContact O-N 3.35Å; T778-Q780 PolarHBondContact O-N 3.48Å; T778-E781 PolarHBondContact N-OE2 3.4Å; T778-E781 PolarHBondContact O-N 2.99Å; T778-E781 VanDerWaalsContact OG1-CD 3.23Å; T778-E781 WeakPolarHBondContact OG1-CG 3.41Å; T778-E781 PolarHBondContact OG1-N 3.49Å; T778-E781 PolarHBondContact OG1-OE2 3.39Å; T778-V782 PolarHBondContact O-N 2.87Å
779	A	79.5	Confident	83.3	Confident	82 Å²	82	63.8 Å²	63.8	68%	0.678	36%	0.355	S	S	*	.	H	α-helix	trans	-53	-28.4	177.1	0	0	0	0	0	111.9	A777 S783	A777-A779 PolarHBondContact O-N 2.92Å; A779-S783 WeakPolarHBondContact O-CB 3.33Å; A779-S783 PolarHBondContact O-N 3.44Å
780	Q	84.8	Confident	83.6	Confident	163 Å²	163	62.5 Å²	62.5	76%	0.762	35%	0.348	S	S	*	.	H	α-helix	trans	-66.2	-42.6	173.8	-67.5	180	-15.9	0	0	113.5	T778 S783 A784	T778-Q780 PolarHBondContact O-N 3.48Å; Q780-S783 PolarHBondContact O-N 2.91Å; Q780-A784 WeakPolarHBondContact O-CB 3.33Å; Q780-A784 PolarHBondContact O-N 3.42Å
781	E	88.7	Confident	84.2	Confident	86 Å²	86	64.5 Å²	64.5	40%	0.402	36%	0.357	S	S	.	.	H	α-helix	trans	-64.4	-44	177.6	-78.2	163.7	149.4	0	0	111.6	T778 A784 V785	T778-E781 PolarHBondContact N-OE2 3.4Å; T778-E781 PolarHBondContact O-N 2.99Å; T778-E781 VanDerWaalsContact OG1-CD 3.23Å; T778-E781 WeakPolarHBondContact OG1-CG 3.41Å; T778-E781 PolarHBondContact OG1-N 3.49Å; T778-E781 PolarHBondContact OG1-OE2 3.39Å; E781-A784 PolarHBondContact O-N 3.32Å; E781-V785 PolarHBondContact O-N 3.41Å
782	V	90.6	Very high	85.3	Confident	6 Å²	6	60.1 Å²	60.1	4%	0.036	34%	0.341	C	S	.	.	H	α-helix	trans	-64.6	-48.6	177.2	-174.8	0	0	0	0	110	E766 L769 A777 T778 A784 V785 V786 F849	E766-V782 HydrophobicContact CB-CG1 4.31Å; E766-V782 HydrophobicContact CB-CG2 4.13Å; E766-V782 HydrophobicContact CG-CG2 4.05Å; L769-V782 HydrophobicContact CD1-CB 4.4Å; L769-V782 HydrophobicContact CD1-CG2 4.08Å; A777-V782 HydrophobicContact CB-CG2 3.95Å; T778-V782 PolarHBondContact O-N 2.87Å; V782-A784 VanDerWaalsContact C-N 3.3Å; V782-A784 PolarHBondContact O-N 3.43Å; V782-V785 PolarHBondContact O-N 2.92Å; V782-V785 VanDerWaalsContact O-N 3.16Å; V782-V786 HydrophobicContact CG1-CG2 4.29Å; V782-V786 WeakPolarHBondContact O-CG2 3.44Å; V782-V786 PolarHBondContact O-N 2.99Å; V782-F849 HydrophobicContact CG1-CZ 3.93Å
783	S	91.1	Very high	86.7	Confident	38 Å²	38	57.4 Å²	57.4	27%	0.266	33%	0.327	S	S	.	.	H	α-helix	trans	-56.5	-42.1	177.3	-177.5	0	0	0	0	112	A779 Q780 V785 V786 K787	A779-S783 WeakPolarHBondContact O-CB 3.33Å; A779-S783 PolarHBondContact O-N 3.44Å; Q780-S783 PolarHBondContact O-N 2.91Å; S783-V785 PolarHBondContact O-N 2.59Å; S783-V786 PolarHBondContact O-N 3.32Å; S783-K787 VanDerWaalsContact O-CB 3.22Å; S783-K787 WeakPolarHBondContact O-CB 3.41Å; S783-K787 PolarHBondContact O-N 3.4Å
784	A	94.4	Very high	88.1	Confident	60 Å²	60	54 Å²	54	50%	0.496	31%	0.31	S	S	.	.	H	α-helix	trans	-62.9	-39.9	177.8	0	0	0	0	0	113.1	Q780 E781 V782 R788	Q780-A784 WeakPolarHBondContact O-CB 3.33Å; Q780-A784 PolarHBondContact O-N 3.42Å; E781-A784 PolarHBondContact O-N 3.32Å; V782-A784 VanDerWaalsContact C-N 3.3Å; V782-A784 PolarHBondContact O-N 3.43Å; A784-R788 PolarHBondContact O-N 3.13Å
785	V	95.5	Very high	89.7	Confident	13 Å²	13	51.1 Å²	51.1	8%	0.079	29%	0.29	C	S	.	.	H	α-helix	trans	-69.4	-44.2	176.1	177.6	0	0	0	0	110.8	E739 L765 L769 E781 V782 S783 R788 C789	E739-V785 HydrophobicContact CG-CG1 3.87Å; L765-V785 HydrophobicContact CD1-CG1 4.36Å; L765-V785 HydrophobicContact CD2-CB 4.45Å; L765-V785 HydrophobicContact CD2-CG1 3.92Å; L769-V785 HydrophobicContact CD1-CB 4.36Å; L769-V785 HydrophobicContact CD1-CG2 4.04Å; L769-V785 HydrophobicContact CD2-CG2 4.36Å; E781-V785 PolarHBondContact O-N 3.41Å; V782-V785 PolarHBondContact O-N 2.92Å; V782-V785 VanDerWaalsContact O-N 3.16Å; S783-V785 PolarHBondContact O-N 2.59Å; V785-R788 PolarHBondContact O-N 2.85Å; V785-C789 PolarHBondContact O-N 2.98Å; V785-C789 PolarHBondContact O-SG 3.2Å
786	V	95.8	Very high	91	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-45	178.3	174.7	0	0	0	0	110.7	L762 L765 V782 S783 R788 C789 L790 F846 F849 L852	L762-V786 HydrophobicContact CD2-CG1 4.43Å; L762-V786 HydrophobicContact CD2-CG2 3.96Å; L765-V786 HydrophobicContact CD2-CG2 4.03Å; V782-V786 HydrophobicContact CG1-CG2 4.29Å; V782-V786 WeakPolarHBondContact O-CG2 3.44Å; V782-V786 PolarHBondContact O-N 2.99Å; S783-V786 PolarHBondContact O-N 3.32Å; V786-R788 PolarHBondContact O-N 2.82Å; V786-C789 WeakPolarHBondContact O-CB 3.46Å; V786-C789 PolarHBondContact O-N 3.17Å; V786-C789 VanDerWaalsContact O-N 3.11Å; V786-L790 HydrophobicContact CG1-CD1 3.91Å; V786-L790 HydrophobicContact CG1-CG 4.29Å; V786-L790 WeakPolarHBondContact O-CG 3.29Å; V786-L790 PolarHBondContact O-N 3.01Å; V786-F846 HydrophobicContact CG1-CE1 4.45Å; V786-F849 HydrophobicContact CG1-CD2 4.41Å; V786-F849 HydrophobicContact CG1-CG 4.34Å; V786-F849 HydrophobicContact CG2-CE2 4.36Å; V786-F849 HydrophobicContact CG2-CZ 4.35Å; V786-L852 HydrophobicContact CB-CD1 4.09Å; V786-L852 HydrophobicContact CG1-CD1 3.83Å
787	K	96.5	Very high	92.1	Very high	74 Å²	74	46.9 Å²	46.9	32%	0.322	26%	0.257	S	S	.	.	H	α-helix	trans	-54.1	-52.4	175.3	176.2	168	175.3	145	0	111.4	S783 C789 L790 E791 L852 E855	S783-K787 VanDerWaalsContact O-CB 3.22Å; S783-K787 WeakPolarHBondContact O-CB 3.41Å; S783-K787 PolarHBondContact O-N 3.4Å; K787-C789 VanDerWaalsContact C-N 3.3Å; K787-C789 PolarHBondContact O-N 3.45Å; K787-L790 PolarHBondContact O-N 3.5Å; K787-L790 VanDerWaalsContact O-N 3.08Å; K787-E791 WeakPolarHBondContact CE-OE1 3.41Å; K787-E791 HydrophobicContact CG-CG 4.5Å; K787-E791 WeakPolarHBondContact O-CG 3.32Å; K787-E791 PolarHBondContact O-N 2.84Å; K787-L852 HydrophobicContact CB-CD1 4.1Å; K787-L852 HydrophobicContact CB-CD2 3.94Å; K787-L852 HydrophobicContact CD-CD2 4.17Å; K787-L852 HydrophobicContact CG-CD2 4.21Å; K787-E855 WeakPolarHBondContact CE-OE2 3.29Å; K787-E855 IonicContact NZ-OE1 3.25Å; K787-E855 IonicContact NZ-OE2 2.74Å; K787-E855 PolarHBondContact NZ-OE2 3.45Å
788	R	97.1	Very high	93.2	Very high	113 Å²	113	47 Å²	47	43%	0.426	26%	0.255	S	S	.	.	H	α-helix	trans	-58.4	-40.7	176.6	-176.1	178.4	69.2	-175.9	3.8	112.5	E739 A784 V785 V786 L790 N792	E739-R788 IonicContact OE1-NH2 3.74Å; E739-R788 IonicContact OE2-CZ 3.09Å; E739-R788 IonicContact OE2-NH2 2.59Å; E739-R788 PolarHBondContact OE2-NH2 3.11Å; A784-R788 PolarHBondContact O-N 3.13Å; V785-R788 PolarHBondContact O-N 2.85Å; V786-R788 PolarHBondContact O-N 2.82Å; R788-L790 VanDerWaalsContact C-N 3.34Å; R788-N792 WeakPolarHBondContact O-CB 3.27Å; R788-N792 VanDerWaalsContact O-CG 3.3Å; R788-N792 PolarHBondContact O-N 3.23Å; R788-N792 VanDerWaalsContact O-N 3.1Å; R788-N792 PolarHBondContact O-ND2 3.13Å
789	C	97.8	Very high	94.1	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.014	26%	0.256	C	S	.	.	H	α-helix	trans	-65.3	-39	176.9	-64.5	0	0	0	0	111.5	I742 V785 V786 K787 N792 A793	I742-C789 HydrophobicContact CB-CB 4.06Å; I742-C789 HydrophobicContact CG2-CB 3.54Å; V785-C789 PolarHBondContact O-N 2.98Å; V785-C789 PolarHBondContact O-SG 3.2Å; V786-C789 WeakPolarHBondContact O-CB 3.46Å; V786-C789 PolarHBondContact O-N 3.17Å; V786-C789 VanDerWaalsContact O-N 3.11Å; K787-C789 VanDerWaalsContact C-N 3.3Å; K787-C789 PolarHBondContact O-N 3.45Å; C789-N792 PolarHBondContact O-N 2.85Å; C789-A793 VanDerWaalsContact O-CB 3.3Å; C789-A793 WeakPolarHBondContact O-CB 3.45Å; C789-A793 PolarHBondContact O-N 3.4Å
790	L	97.6	Very high	94.6	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-72.7	-36.2	179	-73.1	177	0	0	0	112.9	F745 V786 K787 R788 A793 A794 F846 L852 H856	F745-L790 HydrophobicContact CE1-CD2 4.21Å; V786-L790 HydrophobicContact CG1-CD1 3.91Å; V786-L790 HydrophobicContact CG1-CG 4.29Å; V786-L790 WeakPolarHBondContact O-CG 3.29Å; V786-L790 PolarHBondContact O-N 3.01Å; K787-L790 PolarHBondContact O-N 3.5Å; K787-L790 VanDerWaalsContact O-N 3.08Å; R788-L790 VanDerWaalsContact C-N 3.34Å; L790-A793 WeakPolarHBondContact O-CB 3.45Å; L790-A793 PolarHBondContact O-N 2.94Å; L790-A794 PolarHBondContact O-N 3.33Å; L790-F846 HydrophobicContact CD1-CD1 4.44Å; L790-F846 HydrophobicContact CD1-CE1 4.29Å; L790-F846 HydrophobicContact CD2-CE1 4Å; L790-F846 HydrophobicContact CD2-CE2 4.48Å; L790-F846 HydrophobicContact CD2-CZ 3.85Å; L790-F846 HydrophobicContact CG-CE1 4.48Å; L790-L852 HydrophobicContact CD1-CB 3.68Å; L790-H856 HydrophobicContact CB-CB 4.24Å; L790-H856 PolarHBondContact O-ND1 2.83Å
791	E	97.2	Very high	94.8	Very high	79 Å²	79	40.3 Å²	40.3	37%	0.369	20%	0.204	S	C	.	.	H	α-helix	trans	-60	-47.1	170.1	-72	168.7	173.9	0	0	110.6	K787 A793 A794 L795	K787-E791 WeakPolarHBondContact CE-OE1 3.41Å; K787-E791 HydrophobicContact CG-CG 4.5Å; K787-E791 WeakPolarHBondContact O-CG 3.32Å; K787-E791 PolarHBondContact O-N 2.84Å; E791-A793 VanDerWaalsContact C-N 3.32Å; E791-A793 PolarHBondContact O-N 3.16Å; E791-A794 WeakPolarHBondContact O-CB 3.28Å; E791-A794 PolarHBondContact O-N 3.5Å; E791-L795 PolarHBondContact O-N 3.05Å
792	N	97.6	Very high	94.8	Very high	71 Å²	71	37.2 Å²	37.2	38%	0.38	19%	0.192	S	C	.	.	H	α-helix	trans	-64.6	-36.8	174.2	-70.5	-29	0	0	0	112.1	T743 R788 C789 A794 L795 V796	T743-N792 HydrophobicContact CG2-CB 3.63Å; R788-N792 WeakPolarHBondContact O-CB 3.27Å; R788-N792 VanDerWaalsContact O-CG 3.3Å; R788-N792 PolarHBondContact O-N 3.23Å; R788-N792 VanDerWaalsContact O-N 3.1Å; R788-N792 PolarHBondContact O-ND2 3.13Å; C789-N792 PolarHBondContact O-N 2.85Å; N792-A794 VanDerWaalsContact C-N 3.31Å; N792-A794 PolarHBondContact O-N 2.97Å; N792-L795 PolarHBondContact O-N 3.35Å; N792-V796 WeakPolarHBondContact O-CG2 2.79Å; N792-V796 PolarHBondContact O-N 2.87Å
793	A	97.7	Very high	94.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.5	-39.6	177	0	0	0	0	0	111.2	T743 F745 C789 L790 E791 L795 V796 N797	T743-A793 WeakPolarHBondContact O-CA 3.46Å; T743-A793 WeakPolarHBondContact O-CB 3.41Å; F745-A793 HydrophobicContact CD1-CB 4.18Å; F745-A793 HydrophobicContact CE1-CB 3.91Å; C789-A793 VanDerWaalsContact O-CB 3.3Å; C789-A793 WeakPolarHBondContact O-CB 3.45Å; C789-A793 PolarHBondContact O-N 3.4Å; L790-A793 WeakPolarHBondContact O-CB 3.45Å; L790-A793 PolarHBondContact O-N 2.94Å; E791-A793 VanDerWaalsContact C-N 3.32Å; E791-A793 PolarHBondContact O-N 3.16Å; A793-L795 VanDerWaalsContact C-N 3.33Å; A793-L795 PolarHBondContact O-N 3Å; A793-V796 PolarHBondContact O-N 3.39Å; A793-N797 VanDerWaalsContact O-CB 3.26Å; A793-N797 WeakPolarHBondContact O-CB 3.48Å; A793-N797 PolarHBondContact O-N 3.42Å; A793-N797 PolarHBondContact O-ND2 3.04Å
794	A	97.4	Very high	94.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.1	-46.5	175.5	0	0	0	0	0	110.1	L790 E791 N792 N797 Y798 H856 T859 Y860	L790-A794 PolarHBondContact O-N 3.33Å; E791-A794 WeakPolarHBondContact O-CB 3.28Å; E791-A794 PolarHBondContact O-N 3.5Å; N792-A794 VanDerWaalsContact C-N 3.31Å; N792-A794 PolarHBondContact O-N 2.97Å; A794-N797 PolarHBondContact O-N 3.34Å; A794-Y798 VanDerWaalsContact O-CB 3.24Å; A794-Y798 WeakPolarHBondContact O-CB 3.39Å; A794-Y798 PolarHBondContact O-N 3.45Å; A794-H856 VanDerWaalsContact CA-CE1 3.49Å; A794-H856 WeakPolarHBondContact CA-CE1 3.4Å; A794-H856 PolarHBondContact N-CE1 3.24Å; A794-H856 VanDerWaalsContact N-CE1 3.28Å; A794-T859 HydrophobicContact CB-CG2 3.9Å; A794-Y860 HydrophobicContact CB-CD2 4.49Å; A794-Y860 WeakPolarHBondContact O-CD2 3.44Å
795	L	96.6	Very high	93.7	Very high	65 Å²	65	46 Å²	46	34%	0.34	22%	0.216	S	C	.	.	H	α-helix	trans	-60.9	-48.2	176.3	-177.9	63.4	0	0	0	112.8	E791 N792 A793 Y798 Q799 L863	E791-L795 PolarHBondContact O-N 3.05Å; N792-L795 PolarHBondContact O-N 3.35Å; A793-L795 VanDerWaalsContact C-N 3.33Å; A793-L795 PolarHBondContact O-N 3Å; L795-Y798 PolarHBondContact O-N 3.43Å; L795-Q799 HydrophobicContact CD1-CG 4.11Å; L795-Q799 HydrophobicContact CG-CG 4.43Å; L795-Q799 WeakPolarHBondContact O-CB 3.42Å; L795-Q799 VanDerWaalsContact O-CG 3.29Å; L795-Q799 WeakPolarHBondContact O-CG 3.38Å; L795-Q799 PolarHBondContact O-N 3.31Å; L795-L863 HydrophobicContact CB-CD1 4.29Å; L795-L863 HydrophobicContact CD1-CD1 4.05Å; L795-L863 HydrophobicContact CD1-CD2 4.16Å
796	V	95.7	Very high	93.1	Very high	46 Å²	46	48 Å²	48	28%	0.279	23%	0.23	S	C	.	.	H	α-helix	trans	-63.3	-45.1	-179.5	170.1	0	0	0	0	111.2	T743 N792 A793 Y798 K800	T743-V796 HydrophobicContact CG2-CG2 4.38Å; N792-V796 WeakPolarHBondContact O-CG2 2.79Å; N792-V796 PolarHBondContact O-N 2.87Å; A793-V796 PolarHBondContact O-N 3.39Å; V796-Y798 VanDerWaalsContact C-N 3.33Å; V796-Y798 PolarHBondContact O-N 2.91Å; V796-K800 WeakPolarHBondContact O-CB 3.25Å; V796-K800 PolarHBondContact O-N 3.38Å
797	N	94.9	Very high	92.3	Very high	6 Å²	6	48.1 Å²	48.1	3%	0.032	23%	0.231	C	C	.	.	H	α-helix	trans	-60.9	-45.2	177	-75.5	-29.3	0	0	0	110.9	R746 A793 A794 K800 M801 L834 Y860	R746-N797 PolarHBondContact NH1-OD1 3.41Å; A793-N797 VanDerWaalsContact O-CB 3.26Å; A793-N797 WeakPolarHBondContact O-CB 3.48Å; A793-N797 PolarHBondContact O-N 3.42Å; A793-N797 PolarHBondContact O-ND2 3.04Å; A794-N797 PolarHBondContact O-N 3.34Å; N797-K800 PolarHBondContact O-N 2.88Å; N797-M801 PolarHBondContact O-N 3.47Å; N797-M801 VanDerWaalsContact O-N 3.11Å; N797-L834 HydrophobicContact CB-CD1 4.39Å; N797-L834 HydrophobicContact CB-CD2 4.4Å; N797-Y860 HydrophobicContact CB-CD2 4.36Å; N797-Y860 HydrophobicContact CB-CE2 3.86Å
798	Y	95.4	Very high	91.3	Very high	11 Å²	11	53.3 Å²	53.3	4%	0.043	26%	0.256	C	S	.	.	H	α-helix	trans	-64.8	-51.2	-178.6	-171.6	-101.4	0	0	0	111.4	A794 L795 V796 K800 M801 C802 M827 Y860 L863 Y864 D867	A794-Y798 VanDerWaalsContact O-CB 3.24Å; A794-Y798 WeakPolarHBondContact O-CB 3.39Å; A794-Y798 PolarHBondContact O-N 3.45Å; L795-Y798 PolarHBondContact O-N 3.43Å; V796-Y798 VanDerWaalsContact C-N 3.33Å; V796-Y798 PolarHBondContact O-N 2.91Å; Y798-K800 VanDerWaalsContact C-N 3.25Å; Y798-K800 PolarHBondContact O-N 2.88Å; Y798-M801 HydrophobicContact CD2-CE 3.49Å; Y798-M801 VanDerWaalsContact CD2-CE 3.49Å; Y798-M801 HydrophobicContact CE2-CE 3.82Å; Y798-M801 HydrophobicContact CG-CE 4.34Å; Y798-M801 PolarHBondContact O-N 3.29Å; Y798-M801 VanDerWaalsContact O-N 3.17Å; Y798-C802 WeakPolarHBondContact CE1-SG 3.11Å; Y798-C802 PolarHBondContact O-N 2.95Å; Y798-C802 PolarHBondContact O-SG 3.1Å; Y798-M827 HydrophobicContact CD2-CE 4.3Å; Y798-M827 HydrophobicContact CE1-CE 4.35Å; Y798-M827 HydrophobicContact CE2-CE 3.41Å; Y798-M827 VanDerWaalsContact CE2-CE 3.41Å; Y798-M827 VanDerWaalsContact CZ-CE 3.43Å; Y798-M827 WeakPolarHBondContact OH-CE 3.38Å; Y798-Y860 HydrophobicContact CD2-CD2 4.39Å; Y798-Y860 HydrophobicContact CD2-CE2 4.07Å; Y798-Y860 HydrophobicContact CG-CE2 4.47Å; Y798-L863 HydrophobicContact CD1-CB 3.62Å; Y798-L863 HydrophobicContact CD1-CD1 4.22Å; Y798-L863 HydrophobicContact CD1-CG 4.46Å; Y798-L863 HydrophobicContact CD2-CB 4.06Å; Y798-L863 HydrophobicContact CE1-CB 3.88Å; Y798-L863 HydrophobicContact CE2-CB 4.32Å; Y798-L863 HydrophobicContact CG-CB 3.73Å; Y798-L863 HydrophobicContact CG-CD1 4.05Å; Y798-Y864 VanDerWaalsContact CE2-CA 3.45Å; Y798-Y864 HydrophobicContact CE2-CD2 4.23Å; Y798-Y864 HydrophobicContact CE2-CG 4.48Å; Y798-Y864 VanDerWaalsContact OH-CA 3.3Å; Y798-Y864 WeakPolarHBondContact OH-CA 3.34Å; Y798-D867 VanDerWaalsContact CE1-OD2 3.32Å; Y798-D867 WeakPolarHBondContact CE1-OD2 3.13Å; Y798-D867 PolarHBondContact OH-OD2 3.43Å
799	Q	93.4	Very high	90.4	Very high	93 Å²	93	54.9 Å²	54.9	44%	0.435	27%	0.268	S	S	.	.	H	α-helix	trans	-58.2	-37.2	177.6	-74.6	178.6	-12.5	0	0	112.8	L795 C802 K803	L795-Q799 HydrophobicContact CD1-CG 4.11Å; L795-Q799 HydrophobicContact CG-CG 4.43Å; L795-Q799 WeakPolarHBondContact O-CB 3.42Å; L795-Q799 VanDerWaalsContact O-CG 3.29Å; L795-Q799 WeakPolarHBondContact O-CG 3.38Å; L795-Q799 PolarHBondContact O-N 3.31Å; Q799-C802 PolarHBondContact O-N 3.15Å; Q799-K803 WeakPolarHBondContact O-CG 3.39Å; Q799-K803 PolarHBondContact O-N 3.27Å; Q799-K803 VanDerWaalsContact O-N 3.09Å
800	K	90.3	Very high	89.4	Confident	78 Å²	78	58.2 Å²	58.2	34%	0.339	28%	0.281	S	S	.	.	H	α-helix	trans	-67	-44.6	178.4	-176	164.6	-178.6	150.9	0	111.8	H747 V796 N797 Y798 K803 E804	H747-K800 PolarHBondContact CE1-NZ 2.87Å; H747-K800 WeakPolarHBondContact NE2-CD 3.38Å; H747-K800 PolarHBondContact NE2-NZ 3.48Å; V796-K800 WeakPolarHBondContact O-CB 3.25Å; V796-K800 PolarHBondContact O-N 3.38Å; N797-K800 PolarHBondContact O-N 2.88Å; Y798-K800 VanDerWaalsContact C-N 3.25Å; Y798-K800 PolarHBondContact O-N 2.88Å; K800-K803 WeakPolarHBondContact O-CB 3.33Å; K800-K803 PolarHBondContact O-N 3.39Å; K800-E804 WeakPolarHBondContact O-CG 3.34Å; K800-E804 PolarHBondContact O-N 3.48Å
801	M	89	Confident	88.3	Confident	4 Å²	4	59.6 Å²	59.6	2%	0.02	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-41.1	174.7	176.6	-176.7	49	0	0	111.7	N797 Y798 K803 E804 I805 M827 M830 C831 Y860	N797-M801 PolarHBondContact O-N 3.47Å; N797-M801 VanDerWaalsContact O-N 3.11Å; Y798-M801 HydrophobicContact CD2-CE 3.49Å; Y798-M801 VanDerWaalsContact CD2-CE 3.49Å; Y798-M801 HydrophobicContact CE2-CE 3.82Å; Y798-M801 HydrophobicContact CG-CE 4.34Å; Y798-M801 PolarHBondContact O-N 3.29Å; Y798-M801 VanDerWaalsContact O-N 3.17Å; M801-K803 PolarHBondContact O-N 2.74Å; M801-E804 PolarHBondContact O-N 2.82Å; M801-E804 VanDerWaalsContact O-N 3.14Å; M801-I805 HydrophobicContact CG-CD1 4.31Å; M801-I805 PolarHBondContact O-N 3.24Å; M801-I805 VanDerWaalsContact O-N 3.13Å; M801-M827 HydrophobicContact CE-CE 3.78Å; M801-M827 HydrophobicContact SD-CG 4.43Å; M801-M830 HydrophobicContact CG-CB 4.41Å; M801-M830 HydrophobicContact CG-CE 4.26Å; M801-M830 HydrophobicContact SD-CB 4.04Å; M801-C831 WeakPolarHBondContact CE-SG 3.33Å; M801-C831 HydrophobicContact SD-CB 4.37Å; M801-C831 PolarHBondContact SD-SG 3.35Å; M801-Y860 HydrophobicContact CE-CE1 4.28Å; M801-Y860 HydrophobicContact CE-CE2 4.14Å; M801-Y860 WeakPolarHBondContact CE-OH 3.32Å; M801-Y860 PolarHBondContact SD-OH 3.03Å
802	C	89.9	Confident	87.4	Confident	21 Å²	21	57.3 Å²	57.3	14%	0.142	28%	0.28	C	S	.	.	H	α-helix	trans	-57.1	-39.6	173.4	-62.3	0	0	0	0	111.8	Y798 Q799 S806 L807 M827	Y798-C802 WeakPolarHBondContact CE1-SG 3.11Å; Y798-C802 PolarHBondContact O-N 2.95Å; Y798-C802 PolarHBondContact O-SG 3.1Å; Q799-C802 PolarHBondContact O-N 3.15Å; C802-S806 PolarHBondContact O-N 2.91Å; C802-L807 HydrophobicContact CB-CB 4.11Å; C802-L807 HydrophobicContact CB-CD2 4.22Å; C802-L807 PolarHBondContact O-N 3.49Å; C802-M827 WeakPolarHBondContact SG-CE 3.34Å
803	K	87.7	Confident	86.5	Confident	159 Å²	159	59.9 Å²	59.9	69%	0.691	30%	0.301	S	S	*	.	H	α-helix	trans	-67.8	-40.8	175.6	-71.9	172.1	-177.3	179	0	112.5	Q799 K800 M801 I805 S806	Q799-K803 WeakPolarHBondContact O-CG 3.39Å; Q799-K803 PolarHBondContact O-N 3.27Å; Q799-K803 VanDerWaalsContact O-N 3.09Å; K800-K803 WeakPolarHBondContact O-CB 3.33Å; K800-K803 PolarHBondContact O-N 3.39Å; M801-K803 PolarHBondContact O-N 2.74Å; K803-I805 VanDerWaalsContact C-N 3.26Å; K803-I805 PolarHBondContact O-N 3.02Å; K803-S806 PolarHBondContact O-N 3.4Å; K803-S806 VanDerWaalsContact O-N 3.09Å
804	E	83.1	Confident	85.7	Confident	124 Å²	124	68.6 Å²	68.6	58%	0.579	34%	0.341	S	S	*	.	H	α-helix	trans	-61.5	-34.6	178.3	-74.9	173.8	-170.4	0	0	112.3	K800 M801 M830	K800-E804 WeakPolarHBondContact O-CG 3.34Å; K800-E804 PolarHBondContact O-N 3.48Å; M801-E804 PolarHBondContact O-N 2.82Å; M801-E804 VanDerWaalsContact O-N 3.14Å; E804-M830 HydrophobicContact CB-CE 4.5Å
805	I	82.3	Confident	85.2	Confident	6 Å²	6	70.2 Å²	70.2	3%	0.031	35%	0.351	C	S	.	.	H	α-helix	trans	-89.7	-9.9	177	-53	173.4	0	0	0	111.8	M801 K803 L807 R810 M827 M830	M801-I805 HydrophobicContact CG-CD1 4.31Å; M801-I805 PolarHBondContact O-N 3.24Å; M801-I805 VanDerWaalsContact O-N 3.13Å; K803-I805 VanDerWaalsContact C-N 3.26Å; K803-I805 PolarHBondContact O-N 3.02Å; I805-L807 VanDerWaalsContact C-N 3.32Å; I805-R810 PolarHBondContact O-NE 3.16Å; I805-R810 PolarHBondContact O-NH2 3.24Å; I805-M827 HydrophobicContact CD1-CB 3.85Å; I805-M827 HydrophobicContact CD1-CG 3.87Å; I805-M830 HydrophobicContact CD1-CE 3.98Å; I805-M830 HydrophobicContact CD1-SD 3.35Å; I805-M830 WeakPolarHBondContact CD1-SD 3.46Å; I805-M830 HydrophobicContact CG1-CE 3.84Å; I805-M830 HydrophobicContact CG1-SD 3.55Å; I805-M830 VanDerWaalsContact CG1-SD 3.55Å
806	S	82.6	Confident	84.9	Confident	53 Å²	53	70.1 Å²	70.1	37%	0.371	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	45.3	-170.3	-53.5	0	0	0	0	112.1	C802 K803 E808 E809 R810	C802-S806 PolarHBondContact O-N 2.91Å; K803-S806 PolarHBondContact O-N 3.4Å; K803-S806 VanDerWaalsContact O-N 3.09Å; S806-E808 VanDerWaalsContact C-N 3.28Å; S806-E808 PolarHBondContact O-N 3.2Å; S806-E809 PolarHBondContact O-N 3.01Å; S806-R810 PolarHBondContact O-N 2.95Å
807	L	78	Confident	84.6	Confident	4 Å²	4	70.1 Å²	70.1	2%	0.021	36%	0.357	C	S	.	.	H	α-helix	trans	-56.4	-38.1	-170.7	-174.5	67.9	0	0	0	113.2	C802 I805 E809 R810 L811 M827 D867	C802-L807 HydrophobicContact CB-CB 4.11Å; C802-L807 HydrophobicContact CB-CD2 4.22Å; C802-L807 PolarHBondContact O-N 3.49Å; I805-L807 VanDerWaalsContact C-N 3.32Å; L807-E809 VanDerWaalsContact C-N 3.28Å; L807-E809 PolarHBondContact O-N 3.3Å; L807-R810 CarbonylContact O-C 3.52Å; L807-R810 PolarHBondContact O-N 3.35Å; L807-L811 HydrophobicContact CD1-CD1 3.92Å; L807-L811 HydrophobicContact CD1-CD2 4.41Å; L807-L811 HydrophobicContact CD1-CG 3.89Å; L807-L811 HydrophobicContact CD2-CD1 4.08Å; L807-L811 HydrophobicContact CG-CD1 3.71Å; L807-L811 HydrophobicContact CG-CG 4.02Å; L807-L811 WeakPolarHBondContact O-CG 3.23Å; L807-L811 PolarHBondContact O-N 3.12Å; L807-M827 HydrophobicContact CD1-SD 4.02Å; L807-M827 HydrophobicContact CD2-CE 3.8Å; L807-M827 HydrophobicContact CD2-SD 3.7Å; L807-M827 HydrophobicContact CG-SD 4.47Å; L807-D867 HydrophobicContact CD2-CB 4.17Å
808	E	76.3	Confident	84.4	Confident	183 Å²	183	72.2 Å²	72.2	86%	0.855	38%	0.376	S	S	*	.	H	α-helix	trans	-59.4	-39	178.8	-67.9	-179	-178	0	0	112.1	S806 S812	S806-E808 VanDerWaalsContact C-N 3.28Å; S806-E808 PolarHBondContact O-N 3.2Å; E808-S812 PolarHBondContact O-N 2.82Å
809	E	77.8	Confident	84.1	Confident	146 Å²	146	75 Å²	75	68%	0.682	39%	0.389	S	S	*	.	H	α-helix	trans	-71.2	-34.9	175.4	-63.8	-180	172.9	0	0	111.1	S806 L807 S812	S806-E809 PolarHBondContact O-N 3.01Å; L807-E809 VanDerWaalsContact C-N 3.28Å; L807-E809 PolarHBondContact O-N 3.3Å; E809-S812 WeakPolarHBondContact O-CB 3.23Å; E809-S812 PolarHBondContact O-N 3.48Å; E809-S812 PolarHBondContact O-OG 3.45Å
810	R	76.8	Confident	83.9	Confident	72 Å²	72	71.8 Å²	71.8	27%	0.272	37%	0.373	S	S	.	.	H	α-helix	trans	-79.3	-22.4	-178.4	-61.6	-159.4	-168	169.3	8.8	114.7	I805 S806 L807 S812 V815 D823	I805-R810 PolarHBondContact O-NE 3.16Å; I805-R810 PolarHBondContact O-NH2 3.24Å; S806-R810 PolarHBondContact O-N 2.95Å; L807-R810 CarbonylContact O-C 3.52Å; L807-R810 PolarHBondContact O-N 3.35Å; R810-S812 VanDerWaalsContact C-N 3.32Å; R810-V815 VanDerWaalsContact O-CB 3.3Å; R810-V815 WeakPolarHBondContact O-CB 3.31Å; R810-V815 VanDerWaalsContact O-CG1 3.31Å; R810-V815 WeakPolarHBondContact O-CG1 3.39Å; R810-V815 WeakPolarHBondContact O-CG2 3.45Å; R810-D823 WeakPolarHBondContact CD-OD1 3.34Å; R810-D823 VanDerWaalsContact CD-OD2 3.29Å; R810-D823 WeakPolarHBondContact CD-OD2 3.5Å; R810-D823 IonicContact CZ-OD1 3.41Å; R810-D823 IonicContact NE-OD1 3.28Å; R810-D823 IonicContact NH1-OD1 3.06Å; R810-D823 PolarHBondContact NH1-OD1 2.89Å
811	L	75.3	Confident	84.1	Confident	31 Å²	31	68.2 Å²	68.2	16%	0.162	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	5	171.6	-63.9	-179.9	0	0	0	112.7	L807 R820 D867 A871	L807-L811 HydrophobicContact CD1-CD1 3.92Å; L807-L811 HydrophobicContact CD1-CD2 4.41Å; L807-L811 HydrophobicContact CD1-CG 3.89Å; L807-L811 HydrophobicContact CD2-CD1 4.08Å; L807-L811 HydrophobicContact CG-CD1 3.71Å; L807-L811 HydrophobicContact CG-CG 4.02Å; L807-L811 WeakPolarHBondContact O-CG 3.23Å; L807-L811 PolarHBondContact O-N 3.12Å; L811-R820 HydrophobicContact CD2-CB 4.33Å; L811-R820 HydrophobicContact CD2-CG 4.27Å; L811-R820 VanDerWaalsContact O-CZ 3.28Å; L811-R820 PolarHBondContact O-NH1 3.31Å; L811-R820 PolarHBondContact O-NH2 3.2Å; L811-D867 HydrophobicContact CD1-CB 4.18Å; L811-A871 HydrophobicContact CD2-CB 4.27Å
812	S	78.6	Confident	84.2	Confident	30 Å²	30	72.8 Å²	72.8	21%	0.21	38%	0.379	C	S	.	.	S	Bend	trans	-61.9	148.6	176.5	71	0	0	0	0	111.7	E808 E809 R810 E814 V815 R820	E808-S812 PolarHBondContact O-N 2.82Å; E809-S812 WeakPolarHBondContact O-CB 3.23Å; E809-S812 PolarHBondContact O-N 3.48Å; E809-S812 PolarHBondContact O-OG 3.45Å; R810-S812 VanDerWaalsContact C-N 3.32Å; S812-E814 PolarHBondContact O-N 3.44Å; S812-V815 PolarHBondContact O-N 3.15Å; S812-R820 PolarHBondContact O-NH2 3.08Å
813	P	77.5	Confident	84.2	Confident	125 Å²	125	72 Å²	72	81%	0.812	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-13.9	-179.3	22.3	-32.3	0	0	0	114.5	R820	P813-R820 VanDerWaalsContact CA-NH2 3.32Å
814	E	82	Confident	84.5	Confident	183 Å²	183	64.5 Å²	64.5	86%	0.855	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-20.5	177.1	-63.4	171.2	-174.8	0	0	112.8	S812	S812-E814 PolarHBondContact O-N 3.44Å
815	V	86.2	Confident	85	Confident	34 Å²	34	60.4 Å²	60.4	21%	0.206	32%	0.322	C	S	.	.	S	Bend	trans	-86.2	131.4	-179.5	179.8	0	0	0	0	110.5	R810 S812 Q819 R820	R810-V815 VanDerWaalsContact O-CB 3.3Å; R810-V815 WeakPolarHBondContact O-CB 3.31Å; R810-V815 VanDerWaalsContact O-CG1 3.31Å; R810-V815 WeakPolarHBondContact O-CG1 3.39Å; R810-V815 WeakPolarHBondContact O-CG2 3.45Å; S812-V815 PolarHBondContact O-N 3.15Å; V815-Q819 HydrophobicContact CG1-CB 3.67Å; V815-Q819 HydrophobicContact CG1-CG 3.69Å; V815-R820 HydrophobicContact CG1-CG 4.1Å; V815-R820 PolarHBondContact O-NE 3.49Å
816	S	90.2	Very high	85.5	Confident	63 Å²	63	66 Å²	66	44%	0.441	34%	0.343	S	S	.	.			trans	-60.8	147.2	-176.9	74.4	0	0	0	0	111.8	A818 Q819 R820	S816-A818 VanDerWaalsContact C-N 3.28Å; S816-A818 PolarHBondContact O-N 2.88Å; S816-Q819 PolarHBondContact O-N 2.95Å; S816-Q819 VanDerWaalsContact O-N 3.11Å; S816-Q819 VanDerWaalsContact OG-CB 3.3Å; S816-Q819 WeakPolarHBondContact OG-CB 3.19Å; S816-Q819 PolarHBondContact OG-N 3.23Å; S816-R820 PolarHBondContact O-N 3.21Å; S816-R820 VanDerWaalsContact O-N 3.15Å
817	P	89.8	Confident	86	Confident	46 Å²	46	63.5 Å²	63.5	30%	0.299	33%	0.325	S	S	.	.	H	α-helix	trans	-54.5	-42.3	178.8	-27.7	35.2	0	0	0	113.2	Q819 R820 I821 V874 Q875	P817-Q819 PolarHBondContact O-N 3.03Å; P817-R820 WeakPolarHBondContact O-CB 3.28Å; P817-R820 PolarHBondContact O-N 3.33Å; P817-I821 PolarHBondContact O-N 3.11Å; P817-V874 HydrophobicContact CB-CG2 4.49Å; P817-Q875 VanDerWaalsContact C-NE2 3.33Å; P817-Q875 PolarHBondContact O-NE2 3.28Å; P817-Q875 PolarHBondContact O-OE1 3.41Å
818	A	89.6	Confident	86.8	Confident	51 Å²	51	63.3 Å²	63.3	42%	0.421	32%	0.324	S	S	.	.	H	α-helix	trans	-61.5	-42.4	177.8	0	0	0	0	0	112.4	S816 R820 I821 E822	S816-A818 VanDerWaalsContact C-N 3.28Å; S816-A818 PolarHBondContact O-N 2.88Å; A818-R820 VanDerWaalsContact C-N 3.29Å; A818-R820 PolarHBondContact O-N 2.86Å; A818-I821 PolarHBondContact O-N 2.91Å; A818-I821 VanDerWaalsContact O-N 3.16Å; A818-E822 PolarHBondContact O-N 3.43Å; A818-E822 VanDerWaalsContact O-N 3.15Å
819	Q	89.4	Confident	87.7	Confident	70 Å²	70	58.1 Å²	58.1	33%	0.327	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-36.3	178	-172.4	64.4	58.9	0	0	111.8	V815 S816 P817 I821 E822 D823	V815-Q819 HydrophobicContact CG1-CB 3.67Å; V815-Q819 HydrophobicContact CG1-CG 3.69Å; S816-Q819 PolarHBondContact O-N 2.95Å; S816-Q819 VanDerWaalsContact O-N 3.11Å; S816-Q819 VanDerWaalsContact OG-CB 3.3Å; S816-Q819 WeakPolarHBondContact OG-CB 3.19Å; S816-Q819 PolarHBondContact OG-N 3.23Å; P817-Q819 PolarHBondContact O-N 3.03Å; Q819-I821 VanDerWaalsContact C-N 3.29Å; Q819-I821 PolarHBondContact O-N 2.91Å; Q819-E822 PolarHBondContact NE2-OE2 2.9Å; Q819-E822 WeakPolarHBondContact O-CB 3.12Å; Q819-E822 PolarHBondContact O-N 3.24Å; Q819-E822 PolarHBondContact OE1-OE2 3.35Å; Q819-D823 PolarHBondContact O-N 2.7Å
820	R	90.8	Very high	88.4	Confident	25 Å²	25	54.1 Å²	54.1	9%	0.094	28%	0.284	C	S	.	.	H	α-helix	trans	-61.4	-37.9	175.9	-63.2	174.8	-179.2	-142.9	-6.7	112.1	L811 S812 P813 V815 S816 P817 A818 D823 M824 A871	L811-R820 HydrophobicContact CD2-CB 4.33Å; L811-R820 HydrophobicContact CD2-CG 4.27Å; L811-R820 VanDerWaalsContact O-CZ 3.28Å; L811-R820 PolarHBondContact O-NH1 3.31Å; L811-R820 PolarHBondContact O-NH2 3.2Å; S812-R820 PolarHBondContact O-NH2 3.08Å; P813-R820 VanDerWaalsContact CA-NH2 3.32Å; V815-R820 HydrophobicContact CG1-CG 4.1Å; V815-R820 PolarHBondContact O-NE 3.49Å; S816-R820 PolarHBondContact O-N 3.21Å; S816-R820 VanDerWaalsContact O-N 3.15Å; P817-R820 WeakPolarHBondContact O-CB 3.28Å; P817-R820 PolarHBondContact O-N 3.33Å; A818-R820 VanDerWaalsContact C-N 3.29Å; A818-R820 PolarHBondContact O-N 2.86Å; R820-D823 PolarHBondContact O-N 3.05Å; R820-M824 VanDerWaalsContact O-CG 3.3Å; R820-M824 WeakPolarHBondContact O-CG 3.42Å; R820-M824 PolarHBondContact O-N 3.03Å; R820-A871 HydrophobicContact CB-CB 4.2Å
821	I	93.1	Very high	89.3	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.015	27%	0.271	C	S	.	.	H	α-helix	trans	-67.4	-43.7	175.5	-61.4	-58.1	0	0	0	110.8	P817 A818 Q819 D823 M824 I825 L872 Q875 D881 A882	P817-I821 PolarHBondContact O-N 3.11Å; A818-I821 PolarHBondContact O-N 2.91Å; A818-I821 VanDerWaalsContact O-N 3.16Å; Q819-I821 VanDerWaalsContact C-N 3.29Å; Q819-I821 PolarHBondContact O-N 2.91Å; I821-D823 VanDerWaalsContact C-N 3.28Å; I821-D823 PolarHBondContact O-N 2.91Å; I821-M824 PolarHBondContact O-N 3.28Å; I821-M824 VanDerWaalsContact O-N 3.15Å; I821-I825 HydrophobicContact CG2-CD1 4.09Å; I821-I825 HydrophobicContact CG2-CG1 4.5Å; I821-I825 WeakPolarHBondContact O-CG1 3.23Å; I821-I825 PolarHBondContact O-N 2.86Å; I821-L872 HydrophobicContact CD1-CD2 3.82Å; I821-Q875 HydrophobicContact CD1-CG 4.07Å; I821-Q875 HydrophobicContact CG1-CG 4.26Å; I821-D881 WeakPolarHBondContact CG2-O 3.13Å; I821-A882 HydrophobicContact CD1-CB 4.18Å; I821-A882 HydrophobicContact CG2-CB 4.4Å
822	E	91.5	Very high	90.2	Very high	100 Å²	100	49.5 Å²	49.5	47%	0.467	27%	0.265	S	S	.	.	H	α-helix	trans	-58.9	-41.3	175.3	-168.3	-172.9	175.9	0	0	111.6	A818 Q819 I825 R826	A818-E822 PolarHBondContact O-N 3.43Å; A818-E822 VanDerWaalsContact O-N 3.15Å; Q819-E822 PolarHBondContact NE2-OE2 2.9Å; Q819-E822 WeakPolarHBondContact O-CB 3.12Å; Q819-E822 PolarHBondContact O-N 3.24Å; Q819-E822 PolarHBondContact OE1-OE2 3.35Å; E822-I825 PolarHBondContact O-N 3.45Å; E822-R826 PolarHBondContact O-N 2.99Å
823	D	90.4	Very high	90.9	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.027	28%	0.28	C	S	.	.	H	α-helix	trans	-65.7	-39.3	175.4	-75.5	-45	0	0	0	112.4	R810 Q819 R820 I821 R826 M827	R810-D823 WeakPolarHBondContact CD-OD1 3.34Å; R810-D823 VanDerWaalsContact CD-OD2 3.29Å; R810-D823 WeakPolarHBondContact CD-OD2 3.5Å; R810-D823 IonicContact CZ-OD1 3.41Å; R810-D823 IonicContact NE-OD1 3.28Å; R810-D823 IonicContact NH1-OD1 3.06Å; R810-D823 PolarHBondContact NH1-OD1 2.89Å; Q819-D823 PolarHBondContact O-N 2.7Å; R820-D823 PolarHBondContact O-N 3.05Å; I821-D823 VanDerWaalsContact C-N 3.28Å; I821-D823 PolarHBondContact O-N 2.91Å; D823-R826 PolarHBondContact O-N 3.45Å; D823-M827 WeakPolarHBondContact O-CB 3.44Å; D823-M827 PolarHBondContact O-N 3.1Å
824	M	93.6	Very high	91.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.1	-37.3	173.4	-70.6	-50.3	-50.1	0	0	112.2	R820 I821 M827 A828 Y864 D867 M868 A871 L885	R820-M824 VanDerWaalsContact O-CG 3.3Å; R820-M824 WeakPolarHBondContact O-CG 3.42Å; R820-M824 PolarHBondContact O-N 3.03Å; I821-M824 PolarHBondContact O-N 3.28Å; I821-M824 VanDerWaalsContact O-N 3.15Å; M824-M827 HydrophobicContact CE-SD 4.09Å; M824-M827 PolarHBondContact O-N 2.92Å; M824-M827 HydrophobicContact SD-SD 4.43Å; M824-A828 WeakPolarHBondContact O-CB 3.3Å; M824-A828 PolarHBondContact O-N 2.85Å; M824-Y864 HydrophobicContact CE-CD2 3.95Å; M824-Y864 HydrophobicContact CE-CE1 4.09Å; M824-Y864 HydrophobicContact CE-CE2 3.23Å; M824-Y864 VanDerWaalsContact CE-OH 3.28Å; M824-Y864 WeakPolarHBondContact CE-OH 3.38Å; M824-Y864 PolarHBondContact O-OH 3.24Å; M824-D867 HydrophobicContact CE-CB 4.38Å; M824-D867 HydrophobicContact SD-CB 4.32Å; M824-M868 HydrophobicContact CE-CB 3.93Å; M824-A871 HydrophobicContact CG-CB 3.58Å; M824-A871 HydrophobicContact SD-CB 4.28Å; M824-L885 HydrophobicContact CB-CD1 4.32Å; M824-L885 HydrophobicContact CB-CD2 3.84Å
825	I	94.4	Very high	92.3	Very high	39 Å²	39	39.2 Å²	39.2	20%	0.2	21%	0.207	C	C	.	.	H	α-helix	trans	-62.7	-49.8	174.8	-67.6	165.7	0	0	0	110.2	I821 E822 M827 A828 D829 P884 L885 L888	I821-I825 HydrophobicContact CG2-CD1 4.09Å; I821-I825 HydrophobicContact CG2-CG1 4.5Å; I821-I825 WeakPolarHBondContact O-CG1 3.23Å; I821-I825 PolarHBondContact O-N 2.86Å; E822-I825 PolarHBondContact O-N 3.45Å; I825-M827 PolarHBondContact O-N 3.48Å; I825-A828 WeakPolarHBondContact O-CB 3.24Å; I825-A828 PolarHBondContact O-N 3.4Å; I825-A828 VanDerWaalsContact O-N 3.11Å; I825-D829 PolarHBondContact O-N 3.43Å; I825-P884 HydrophobicContact CD1-CB 4Å; I825-L885 HydrophobicContact CB-CD1 4.45Å; I825-L885 HydrophobicContact CD1-CB 4.33Å; I825-L885 HydrophobicContact CG1-CB 3.72Å; I825-L885 HydrophobicContact CG1-CD1 3.82Å; I825-L885 HydrophobicContact CG1-CG 4.34Å; I825-L888 HydrophobicContact CG2-CD2 4.01Å
826	R	91.9	Very high	92.5	Very high	124 Å²	124	42.4 Å²	42.4	47%	0.468	22%	0.218	S	C	.	.	H	α-helix	trans	-58.2	-39.7	176.2	178.7	-179.1	-80.7	154.7	-6.8	111.5	E822 D823 M830	E822-R826 PolarHBondContact O-N 2.99Å; D823-R826 PolarHBondContact O-N 3.45Å; R826-M830 WeakPolarHBondContact O-CG 3.29Å; R826-M830 PolarHBondContact O-N 2.75Å
827	M	92.4	Very high	92.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.5	-40	176.8	-172	176.7	-171.7	0	0	112.1	Y798 M801 C802 I805 L807 D823 M824 I825 D829 M830 C831 Y864	Y798-M827 HydrophobicContact CD2-CE 4.3Å; Y798-M827 HydrophobicContact CE1-CE 4.35Å; Y798-M827 HydrophobicContact CE2-CE 3.41Å; Y798-M827 VanDerWaalsContact CE2-CE 3.41Å; Y798-M827 VanDerWaalsContact CZ-CE 3.43Å; Y798-M827 WeakPolarHBondContact OH-CE 3.38Å; M801-M827 HydrophobicContact CE-CE 3.78Å; M801-M827 HydrophobicContact SD-CG 4.43Å; C802-M827 WeakPolarHBondContact SG-CE 3.34Å; I805-M827 HydrophobicContact CD1-CB 3.85Å; I805-M827 HydrophobicContact CD1-CG 3.87Å; L807-M827 HydrophobicContact CD1-SD 4.02Å; L807-M827 HydrophobicContact CD2-CE 3.8Å; L807-M827 HydrophobicContact CD2-SD 3.7Å; L807-M827 HydrophobicContact CG-SD 4.47Å; D823-M827 WeakPolarHBondContact O-CB 3.44Å; D823-M827 PolarHBondContact O-N 3.1Å; M824-M827 HydrophobicContact CE-SD 4.09Å; M824-M827 PolarHBondContact O-N 2.92Å; M824-M827 HydrophobicContact SD-SD 4.43Å; I825-M827 PolarHBondContact O-N 3.48Å; M827-D829 VanDerWaalsContact C-N 3.35Å; M827-D829 PolarHBondContact O-N 2.91Å; M827-M830 PolarHBondContact O-N 3.4Å; M827-C831 WeakPolarHBondContact O-CB 3.41Å; M827-C831 PolarHBondContact O-N 3.35Å; M827-C831 PolarHBondContact O-SG 2.65Å; M827-Y864 HydrophobicContact CB-CE2 4.21Å; M827-Y864 HydrophobicContact CE-CD2 4.42Å; M827-Y864 HydrophobicContact CG-CD2 4.23Å; M827-Y864 HydrophobicContact CG-CE2 3.94Å; M827-Y864 HydrophobicContact SD-CD2 4.21Å; M827-Y864 HydrophobicContact SD-CE2 4.15Å
828	A	95.5	Very high	92.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.3	-44.1	175	0	0	0	0	0	111.8	M824 I825 M830 C831 I832 Y864 L885 L888 L889	M824-A828 WeakPolarHBondContact O-CB 3.3Å; M824-A828 PolarHBondContact O-N 2.85Å; I825-A828 WeakPolarHBondContact O-CB 3.24Å; I825-A828 PolarHBondContact O-N 3.4Å; I825-A828 VanDerWaalsContact O-N 3.11Å; A828-M830 VanDerWaalsContact C-N 3.33Å; A828-M830 PolarHBondContact O-N 3.38Å; A828-C831 WeakPolarHBondContact O-CB 3.29Å; A828-C831 PolarHBondContact O-N 3.08Å; A828-I832 WeakPolarHBondContact O-CB 3.41Å; A828-I832 VanDerWaalsContact O-CG1 3.22Å; A828-I832 WeakPolarHBondContact O-CG1 3.5Å; A828-I832 PolarHBondContact O-N 2.83Å; A828-Y864 HydrophobicContact CB-CE2 4.39Å; A828-L885 HydrophobicContact CB-CD1 4.1Å; A828-L888 HydrophobicContact CB-CD2 3.7Å; A828-L888 HydrophobicContact CB-CG 4.46Å; A828-L889 HydrophobicContact CB-CD2 3.78Å; A828-L889 HydrophobicContact CB-CG 4.29Å
829	D	94.6	Very high	92.7	Very high	73 Å²	73	41.2 Å²	41.2	39%	0.39	20%	0.196	S	C	.	.	H	α-helix	trans	-57.9	-46.3	174.4	-81.5	-41.1	0	0	0	111.4	I825 M827 C831 I832 D833 L888	I825-D829 PolarHBondContact O-N 3.43Å; M827-D829 VanDerWaalsContact C-N 3.35Å; M827-D829 PolarHBondContact O-N 2.91Å; D829-C831 PolarHBondContact O-N 3.47Å; D829-I832 PolarHBondContact O-N 2.96Å; D829-D833 WeakPolarHBondContact O-CB 3.37Å; D829-D833 PolarHBondContact O-N 3.4Å; D829-L888 WeakPolarHBondContact OD1-CD1 3.41Å
830	M	92.5	Very high	92.7	Very high	62 Å²	62	40.4 Å²	40.4	31%	0.305	19%	0.194	S	C	.	.	H	α-helix	trans	-64.6	-39	177	-68.6	179.4	62.4	0	0	112.7	M801 E804 I805 R826 M827 A828 D833 L834	M801-M830 HydrophobicContact CG-CB 4.41Å; M801-M830 HydrophobicContact CG-CE 4.26Å; M801-M830 HydrophobicContact SD-CB 4.04Å; E804-M830 HydrophobicContact CB-CE 4.5Å; I805-M830 HydrophobicContact CD1-CE 3.98Å; I805-M830 HydrophobicContact CD1-SD 3.35Å; I805-M830 WeakPolarHBondContact CD1-SD 3.46Å; I805-M830 HydrophobicContact CG1-CE 3.84Å; I805-M830 HydrophobicContact CG1-SD 3.55Å; I805-M830 VanDerWaalsContact CG1-SD 3.55Å; R826-M830 WeakPolarHBondContact O-CG 3.29Å; R826-M830 PolarHBondContact O-N 2.75Å; M827-M830 PolarHBondContact O-N 3.4Å; A828-M830 VanDerWaalsContact C-N 3.33Å; A828-M830 PolarHBondContact O-N 3.38Å; M830-D833 PolarHBondContact O-N 3.39Å; M830-L834 VanDerWaalsContact O-CB 3.25Å; M830-L834 WeakPolarHBondContact O-CB 3.45Å; M830-L834 PolarHBondContact O-N 2.61Å
831	C	95.2	Very high	92.6	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.8	-47.2	173.3	-73.9	0	0	0	0	111.5	M801 M827 A828 D829 L834 L835 Y860 W861 Y864	M801-C831 WeakPolarHBondContact CE-SG 3.33Å; M801-C831 HydrophobicContact SD-CB 4.37Å; M801-C831 PolarHBondContact SD-SG 3.35Å; M827-C831 WeakPolarHBondContact O-CB 3.41Å; M827-C831 PolarHBondContact O-N 3.35Å; M827-C831 PolarHBondContact O-SG 2.65Å; A828-C831 WeakPolarHBondContact O-CB 3.29Å; A828-C831 PolarHBondContact O-N 3.08Å; D829-C831 PolarHBondContact O-N 3.47Å; C831-L834 PolarHBondContact O-N 3.21Å; C831-L835 PolarHBondContact O-N 3.36Å; C831-Y860 HydrophobicContact CB-CE1 3.85Å; C831-W861 HydrophobicContact CB-CH2 3.43Å; C831-W861 VanDerWaalsContact CB-CH2 3.43Å; C831-W861 HydrophobicContact CB-CZ2 4.2Å; C831-W861 HydrophobicContact CB-CZ3 3.71Å; C831-Y864 VanDerWaalsContact SG-CD2 3.58Å
832	I	95.8	Very high	92.7	Very high	6 Å²	6	41 Å²	41	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-62.2	-47.8	179.8	-72.3	166	0	0	0	109.9	A828 D829 L834 L835 K836 W861 L888 Y892	A828-I832 WeakPolarHBondContact O-CB 3.41Å; A828-I832 VanDerWaalsContact O-CG1 3.22Å; A828-I832 WeakPolarHBondContact O-CG1 3.5Å; A828-I832 PolarHBondContact O-N 2.83Å; D829-I832 PolarHBondContact O-N 2.96Å; I832-L834 VanDerWaalsContact C-N 3.31Å; I832-L834 PolarHBondContact O-N 3.36Å; I832-L835 PolarHBondContact O-N 3.43Å; I832-K836 HydrophobicContact CG2-CD 4Å; I832-K836 VanDerWaalsContact CG2-CE 3.41Å; I832-K836 HydrophobicContact CG2-CG 4.5Å; I832-K836 VanDerWaalsContact CG2-NZ 3.33Å; I832-K836 WeakPolarHBondContact O-CB 3.31Å; I832-K836 VanDerWaalsContact O-CG 3.32Å; I832-K836 WeakPolarHBondContact O-CG 3.38Å; I832-K836 PolarHBondContact O-N 3.16Å; I832-W861 HydrophobicContact CG1-CH2 3.98Å; I832-W861 HydrophobicContact CG1-CZ2 4.12Å; I832-L888 HydrophobicContact CD1-CD1 3.97Å; I832-L888 HydrophobicContact CD1-CG 4.08Å; I832-Y892 HydrophobicContact CB-CD2 4.43Å; I832-Y892 HydrophobicContact CD1-CD1 4.27Å; I832-Y892 HydrophobicContact CD1-CD2 4.42Å; I832-Y892 HydrophobicContact CD1-CG 3.9Å; I832-Y892 HydrophobicContact CG1-CD1 3.82Å; I832-Y892 HydrophobicContact CG1-CD2 4.04Å; I832-Y892 HydrophobicContact CG1-CE1 4.2Å; I832-Y892 HydrophobicContact CG1-CE2 4.4Å; I832-Y892 HydrophobicContact CG1-CG 3.73Å; I832-Y892 HydrophobicContact CG2-CD2 3.68Å; I832-Y892 HydrophobicContact CG2-CE2 3.87Å; I832-Y892 HydrophobicContact CG2-CG 4.23Å
833	D	92.2	Very high	92.7	Very high	97 Å²	97	37.2 Å²	37.2	52%	0.519	18%	0.183	S	C	.	.	H	α-helix	trans	-63.9	-37.8	179.6	-76.3	-13.5	0	0	0	111.9	D829 M830 K836 E837	D829-D833 WeakPolarHBondContact O-CB 3.37Å; D829-D833 PolarHBondContact O-N 3.4Å; M830-D833 PolarHBondContact O-N 3.39Å; D833-K836 PolarHBondContact O-N 2.9Å; D833-E837 WeakPolarHBondContact O-CB 3.47Å; D833-E837 PolarHBondContact O-N 3.37Å
834	L	94	Very high	92.7	Very high	14 Å²	14	44.8 Å²	44.8	7%	0.073	22%	0.218	C	C	.	.	H	α-helix	trans	-63.9	-45.6	175.5	-175.8	149.8	0	0	0	112.3	N797 M830 C831 I832 E837 I838 Y860	N797-L834 HydrophobicContact CB-CD1 4.39Å; N797-L834 HydrophobicContact CB-CD2 4.4Å; M830-L834 VanDerWaalsContact O-CB 3.25Å; M830-L834 WeakPolarHBondContact O-CB 3.45Å; M830-L834 PolarHBondContact O-N 2.61Å; C831-L834 PolarHBondContact O-N 3.21Å; I832-L834 VanDerWaalsContact C-N 3.31Å; I832-L834 PolarHBondContact O-N 3.36Å; L834-E837 WeakPolarHBondContact O-CB 3.41Å; L834-E837 PolarHBondContact O-N 3.14Å; L834-I838 HydrophobicContact CD2-CD1 3.59Å; L834-I838 HydrophobicContact CD2-CG1 4.41Å; L834-I838 WeakPolarHBondContact O-CG1 3.46Å; L834-I838 PolarHBondContact O-N 2.97Å; L834-Y860 WeakPolarHBondContact CD1-OH 3.45Å; L834-Y860 HydrophobicContact CD2-CE1 4.39Å; L834-Y860 HydrophobicContact CD2-CE2 4.12Å
835	L	95.1	Very high	92.7	Very high	12 Å²	12	45.9 Å²	45.9	6%	0.063	23%	0.227	C	C	.	.	H	α-helix	trans	-68.2	-38.8	178.3	-72.2	177	0	0	0	111.9	C831 I832 E837 I838 D839 A857 Y860 W861	C831-L835 PolarHBondContact O-N 3.36Å; I832-L835 PolarHBondContact O-N 3.43Å; L835-E837 VanDerWaalsContact C-N 3.31Å; L835-E837 PolarHBondContact O-N 3.19Å; L835-I838 HydrophobicContact CD2-CD1 4.32Å; L835-I838 PolarHBondContact O-N 3.02Å; L835-D839 PolarHBondContact O-N 3.16Å; L835-A857 HydrophobicContact CD1-CB 4.4Å; L835-A857 HydrophobicContact CD2-CB 4.11Å; L835-Y860 HydrophobicContact CD1-CD1 4.1Å; L835-Y860 HydrophobicContact CD1-CE1 4.48Å; L835-Y860 HydrophobicContact CD2-CD1 4.12Å; L835-Y860 HydrophobicContact CG-CD1 4.14Å; L835-Y860 HydrophobicContact CG-CE1 4.28Å; L835-W861 HydrophobicContact CD1-CD2 4.5Å; L835-W861 HydrophobicContact CD1-CZ2 3.72Å
836	K	91.5	Very high	92.6	Very high	100 Å²	100	44 Å²	44	44%	0.435	22%	0.217	S	C	.	.	H	α-helix	trans	-59.6	-43.2	171.2	-74.8	172.5	-176.9	162.9	0	111.3	I832 D833 I838 D839 D840	I832-K836 HydrophobicContact CG2-CD 4Å; I832-K836 VanDerWaalsContact CG2-CE 3.41Å; I832-K836 HydrophobicContact CG2-CG 4.5Å; I832-K836 VanDerWaalsContact CG2-NZ 3.33Å; I832-K836 WeakPolarHBondContact O-CB 3.31Å; I832-K836 VanDerWaalsContact O-CG 3.32Å; I832-K836 WeakPolarHBondContact O-CG 3.38Å; I832-K836 PolarHBondContact O-N 3.16Å; D833-K836 PolarHBondContact O-N 2.9Å; K836-I838 VanDerWaalsContact C-N 3.33Å; K836-I838 PolarHBondContact O-N 2.91Å; K836-D839 PolarHBondContact O-N 3.47Å; K836-D840 WeakPolarHBondContact O-CB 3.49Å; K836-D840 PolarHBondContact O-N 3.17Å
837	E	89.8	Confident	92.5	Very high	23 Å²	23	41.1 Å²	41.1	11%	0.107	22%	0.219	C	C	.	.	H	α-helix	trans	-61.2	-41.5	176.7	-169.4	-163.4	158.7	0	0	111.9	R125 R746 D833 L834 L835 D840 Y841	R125-E837 IonicContact CZ-OE1 3.7Å; R125-E837 IonicContact CZ-OE2 3.73Å; R125-E837 IonicContact NH1-OE1 3.54Å; R125-E837 PolarHBondContact NH1-OE1 3.44Å; R125-E837 IonicContact NH1-OE2 2.68Å; R125-E837 IonicContact NH2-OE1 3.36Å; R125-E837 PolarHBondContact NH2-OE1 2.87Å; R125-E837 IonicContact NH2-OE2 3.55Å; R125-E837 PolarHBondContact NH2-OE2 2.88Å; R746-E837 IonicContact CZ-OE2 2.86Å; R746-E837 IonicContact NE-OE2 2.8Å; R746-E837 IonicContact NH2-OE2 2.79Å; R746-E837 PolarHBondContact NH2-OE2 2.68Å; D833-E837 WeakPolarHBondContact O-CB 3.47Å; D833-E837 PolarHBondContact O-N 3.37Å; L834-E837 WeakPolarHBondContact O-CB 3.41Å; L834-E837 PolarHBondContact O-N 3.14Å; L835-E837 VanDerWaalsContact C-N 3.31Å; L835-E837 PolarHBondContact O-N 3.19Å; E837-D840 PolarHBondContact O-N 3.35Å; E837-Y841 HydrophobicContact CG-CD2 3.55Å; E837-Y841 HydrophobicContact CG-CE2 3.82Å; E837-Y841 VanDerWaalsContact O-CD2 3.3Å; E837-Y841 WeakPolarHBondContact O-CD2 3.25Å; E837-Y841 PolarHBondContact O-N 3.15Å
838	I	93.2	Very high	92	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.015	26%	0.26	C	S	.	.	H	α-helix	trans	-61.7	-46.8	175.7	-69.6	169.2	0	0	0	110.6	F745 R746 L834 L835 K836 D840 H842 A843 L853	F745-I838 HydrophobicContact CE2-CG1 4.04Å; F745-I838 HydrophobicContact CE2-CG2 4.07Å; F745-I838 HydrophobicContact CZ-CD1 3.93Å; F745-I838 HydrophobicContact CZ-CG1 3.93Å; F745-I838 HydrophobicContact CZ-CG2 3.98Å; R746-I838 HydrophobicContact CG-CG1 4.19Å; L834-I838 HydrophobicContact CD2-CD1 3.59Å; L834-I838 HydrophobicContact CD2-CG1 4.41Å; L834-I838 WeakPolarHBondContact O-CG1 3.46Å; L834-I838 PolarHBondContact O-N 2.97Å; L835-I838 HydrophobicContact CD2-CD1 4.32Å; L835-I838 PolarHBondContact O-N 3.02Å; K836-I838 VanDerWaalsContact C-N 3.33Å; K836-I838 PolarHBondContact O-N 2.91Å; I838-D840 VanDerWaalsContact C-N 3.28Å; I838-D840 PolarHBondContact O-N 3.12Å; I838-H842 HydrophobicContact CG2-CB 4.45Å; I838-H842 CarbonylContact O-C 3.59Å; I838-H842 WeakPolarHBondContact O-CA 3.43Å; I838-H842 WeakPolarHBondContact O-CB 3.46Å; I838-H842 PolarHBondContact O-N 3.38Å; I838-A843 PolarHBondContact O-N 3.09Å; I838-A843 VanDerWaalsContact O-N 3.08Å; I838-L853 HydrophobicContact CG2-CD1 3.85Å; I838-L853 HydrophobicContact CG2-CD2 4.44Å; I838-L853 HydrophobicContact CG2-CG 4.5Å
839	D	90.6	Very high	91.6	Very high	109 Å²	109	53.7 Å²	53.7	58%	0.583	27%	0.268	S	S	*	.	H	α-helix	trans	-60.1	-43.5	177.7	-167.8	53.8	0	0	0	111.1	L835 K836 A843	L835-D839 PolarHBondContact O-N 3.16Å; K836-D839 PolarHBondContact O-N 3.47Å; D839-A843 VanDerWaalsContact O-CB 3.22Å; D839-A843 WeakPolarHBondContact O-CB 3.4Å
840	D	88.3	Confident	91.3	Very high	54 Å²	54	53.1 Å²	53.1	29%	0.289	27%	0.27	S	S	.	.	H	α-helix	trans	-66.2	-40.4	-176.7	-78	-38.4	0	0	0	114.6	R150 K836 E837 I838	R150-D840 VanDerWaalsContact CD-OD1 3.23Å; R150-D840 WeakPolarHBondContact CD-OD1 3.23Å; R150-D840 IonicContact CZ-OD1 2.85Å; R150-D840 IonicContact CZ-OD2 3.63Å; R150-D840 IonicContact NE-OD1 3.03Å; R150-D840 PolarHBondContact NE-OD1 2.94Å; R150-D840 IonicContact NE-OD2 3.97Å; R150-D840 IonicContact NH1-OD1 3.61Å; R150-D840 PolarHBondContact NH1-OD1 2.79Å; R150-D840 IonicContact NH1-OD2 3.37Å; R150-D840 PolarHBondContact NH1-OD2 3.07Å; R150-D840 IonicContact NH2-OD1 3.92Å; R150-D840 IonicContact NH2-OD2 3.43Å; R150-D840 PolarHBondContact NH2-OD2 3.31Å; K836-D840 WeakPolarHBondContact O-CB 3.49Å; K836-D840 PolarHBondContact O-N 3.17Å; E837-D840 PolarHBondContact O-N 3.35Å; I838-D840 VanDerWaalsContact C-N 3.28Å; I838-D840 PolarHBondContact O-N 3.12Å
841	Y	90.1	Very high	91.3	Very high	37 Å²	37	55.4 Å²	55.4	15%	0.145	28%	0.283	C	S	.	.	H	α-helix	trans	-115.8	-16.4	-169.2	-63.1	-70	0	0	0	114.5	F751 E837	F751-Y841 HydrophobicContact CB-CD1 4.19Å; F751-Y841 HydrophobicContact CB-CE1 4.3Å; F751-Y841 HydrophobicContact CB-CG 4.46Å; F751-Y841 HydrophobicContact CD1-CD2 4.21Å; F751-Y841 HydrophobicContact CD1-CE1 4.28Å; F751-Y841 AromaticContact CD1-CE2 3.79Å; F751-Y841 HydrophobicContact CD1-CE2 3.79Å; F751-Y841 AromaticContact CD1-CZ 3.83Å; F751-Y841 HydrophobicContact CE1-CE2 4.38Å; E837-Y841 HydrophobicContact CG-CD2 3.55Å; E837-Y841 HydrophobicContact CG-CE2 3.82Å; E837-Y841 VanDerWaalsContact O-CD2 3.3Å; E837-Y841 WeakPolarHBondContact O-CD2 3.25Å; E837-Y841 PolarHBondContact O-N 3.15Å
842	H	93.7	Very high	91.3	Very high	2 Å²	2	56 Å²	56	1%	0.009	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.4	-23.4	-171.8	-55.3	103.6	0	0	0	113.8	F745 F749 L758 I838 E844 A845 F846	F745-H842 HydrophobicContact CD2-CB 3.96Å; F745-H842 AromaticContact CD2-CD2 3.63Å; F745-H842 AromaticContact CD2-CG 3.57Å; F745-H842 AromaticContact CD2-ND1 3.94Å; F745-H842 HydrophobicContact CE2-CB 3.75Å; F745-H842 AromaticContact CE2-CG 3.57Å; F745-H842 AromaticContact CE2-ND1 3.68Å; F749-H842 PolarHBondContact O-NE2 3.04Å; L758-H842 HydrophobicContact CD2-CB 4.13Å; I838-H842 HydrophobicContact CG2-CB 4.45Å; I838-H842 CarbonylContact O-C 3.59Å; I838-H842 WeakPolarHBondContact O-CA 3.43Å; I838-H842 WeakPolarHBondContact O-CB 3.46Å; I838-H842 PolarHBondContact O-N 3.38Å; H842-E844 VanDerWaalsContact C-N 3.26Å; H842-E844 PolarHBondContact O-N 3.38Å; H842-A845 WeakPolarHBondContact O-CB 3.47Å; H842-A845 PolarHBondContact O-N 3.03Å; H842-F846 HydrophobicContact CB-CD2 4.49Å; H842-F846 HydrophobicContact CB-CE2 4.3Å; H842-F846 WeakPolarHBondContact O-CD2 3.41Å; H842-F846 PolarHBondContact O-N 3.4Å
843	A	92.1	Very high	91.2	Very high	21 Å²	21	56.9 Å²	56.9	17%	0.174	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-57.5	-36.1	-176.8	0	0	0	0	0	113.6	I838 D839 A845 F846 A847 L853	I838-A843 PolarHBondContact O-N 3.09Å; I838-A843 VanDerWaalsContact O-N 3.08Å; D839-A843 VanDerWaalsContact O-CB 3.22Å; D839-A843 WeakPolarHBondContact O-CB 3.4Å; A843-A845 PolarHBondContact O-N 3.46Å; A843-F846 CarbonylContact O-C 3.55Å; A843-F846 WeakPolarHBondContact O-CA 3.41Å; A843-F846 PolarHBondContact O-N 2.83Å; A843-A847 PolarHBondContact O-N 3.1Å; A843-A847 VanDerWaalsContact O-N 3.12Å; A843-L853 HydrophobicContact CB-CD2 3.77Å
844	E	91.2	Very high	91.3	Very high	165 Å²	165	54.5 Å²	54.5	77%	0.771	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-59.1	-36.8	177.8	-169.5	-173.9	167.6	0	0	112.2	H842 F846 A847	H842-E844 VanDerWaalsContact C-N 3.26Å; H842-E844 PolarHBondContact O-N 3.38Å; E844-F846 VanDerWaalsContact C-N 3.27Å; E844-F846 PolarHBondContact O-N 2.87Å; E844-A847 WeakPolarHBondContact O-CB 3.32Å; E844-A847 PolarHBondContact O-N 3.44Å
845	A	92.5	Very high	91.4	Very high	22 Å²	22	57.4 Å²	57.4	18%	0.182	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-69	-28.8	176.9	0	0	0	0	0	112.2	L758 K759 L762 H842 A843	L758-A845 HydrophobicContact CB-CB 3.98Å; L758-A845 HydrophobicContact CD2-CB 3.78Å; L758-A845 HydrophobicContact CG-CB 3.7Å; K759-A845 HydrophobicContact CB-CB 4.21Å; L762-A845 VanDerWaalsContact CD1-O 3.27Å; L762-A845 WeakPolarHBondContact CD1-O 3.27Å; H842-A845 WeakPolarHBondContact O-CB 3.47Å; H842-A845 PolarHBondContact O-N 3.03Å; A843-A845 PolarHBondContact O-N 3.46Å
846	F	92.6	Very high	91.4	Very high	1 Å²	1	57 Å²	57	0%	0.004	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-93.9	14.2	176.9	-64.2	-71.4	0	0	0	113.5	F745 L758 L762 V786 L790 H842 A843 E844 W848 F849 S850 L853	F745-F846 HydrophobicContact CD2-CE2 4.3Å; F745-F846 HydrophobicContact CE2-CE2 4.37Å; F745-F846 HydrophobicContact CG-CE2 4.49Å; F745-F846 HydrophobicContact CG-CZ 4.48Å; L758-F846 HydrophobicContact CD1-CZ 4.37Å; L758-F846 HydrophobicContact CD2-CD2 4.48Å; L758-F846 HydrophobicContact CD2-CE2 3.73Å; L758-F846 HydrophobicContact CD2-CZ 4.05Å; L762-F846 HydrophobicContact CD1-CD1 3.89Å; L762-F846 HydrophobicContact CD1-CE1 3.9Å; L762-F846 HydrophobicContact CD2-CE1 4.14Å; V786-F846 HydrophobicContact CG1-CE1 4.45Å; L790-F846 HydrophobicContact CD1-CD1 4.44Å; L790-F846 HydrophobicContact CD1-CE1 4.29Å; L790-F846 HydrophobicContact CD2-CE1 4Å; L790-F846 HydrophobicContact CD2-CE2 4.48Å; L790-F846 HydrophobicContact CD2-CZ 3.85Å; L790-F846 HydrophobicContact CG-CE1 4.48Å; H842-F846 HydrophobicContact CB-CD2 4.49Å; H842-F846 HydrophobicContact CB-CE2 4.3Å; H842-F846 WeakPolarHBondContact O-CD2 3.41Å; H842-F846 PolarHBondContact O-N 3.4Å; A843-F846 CarbonylContact O-C 3.55Å; A843-F846 WeakPolarHBondContact O-CA 3.41Å; A843-F846 PolarHBondContact O-N 2.83Å; E844-F846 VanDerWaalsContact C-N 3.27Å; E844-F846 PolarHBondContact O-N 2.87Å; F846-W848 PolarHBondContact O-N 2.87Å; F846-F849 CarbonylContact O-C 3.53Å; F846-F849 VanDerWaalsContact O-CA 3.31Å; F846-F849 WeakPolarHBondContact O-CA 3.04Å; F846-F849 PolarHBondContact O-N 3.08Å; F846-S850 PolarHBondContact O-N 2.83Å; F846-L853 HydrophobicContact CD2-CD1 4.02Å; F846-L853 HydrophobicContact CE2-CD1 4.46Å; F846-L853 HydrophobicContact CG-CD1 4.45Å
847	A	89.3	Confident	91.7	Very high	62 Å²	62	52.8 Å²	52.8	51%	0.512	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-56.4	-29.8	-176.2	0	0	0	0	0	114.3	A843 E844 F849	A843-A847 PolarHBondContact O-N 3.1Å; A843-A847 VanDerWaalsContact O-N 3.12Å; E844-A847 WeakPolarHBondContact O-CB 3.32Å; E844-A847 PolarHBondContact O-N 3.44Å; A847-F849 VanDerWaalsContact C-N 3.33Å
848	W	82.8	Confident	92	Very high	226 Å²	226	52.9 Å²	52.9	86%	0.856	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-83.2	-10	174.7	-69.6	5.9	0	0	0	113.9	F846	F846-W848 PolarHBondContact O-N 2.87Å
849	F	87	Confident	92.2	Very high	39 Å²	39	54.9 Å²	54.9	17%	0.171	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-126	33.8	179.1	-58.8	-69.1	0	0	0	110.5	V782 V786 F846 A847 D851 L852 L853	V782-F849 HydrophobicContact CG1-CZ 3.93Å; V786-F849 HydrophobicContact CG1-CD2 4.41Å; V786-F849 HydrophobicContact CG1-CG 4.34Å; V786-F849 HydrophobicContact CG2-CE2 4.36Å; V786-F849 HydrophobicContact CG2-CZ 4.35Å; F846-F849 CarbonylContact O-C 3.53Å; F846-F849 VanDerWaalsContact O-CA 3.31Å; F846-F849 WeakPolarHBondContact O-CA 3.04Å; F846-F849 PolarHBondContact O-N 3.08Å; A847-F849 VanDerWaalsContact C-N 3.33Å; F849-D851 PolarHBondContact O-N 3.48Å; F849-L852 HydrophobicContact CB-CB 4.29Å; F849-L852 HydrophobicContact CB-CD1 4.05Å; F849-L852 HydrophobicContact CB-CG 4.26Å; F849-L852 HydrophobicContact CD1-CD1 3.9Å; F849-L852 HydrophobicContact CG-CD1 4.25Å; F849-L852 WeakPolarHBondContact O-CB 3.25Å; F849-L852 PolarHBondContact O-N 2.74Å; F849-L853 PolarHBondContact O-N 3.41Å
850	S	89	Confident	92.5	Very high	60 Å²	60	49.7 Å²	49.7	42%	0.42	26%	0.258	S	S	.	.	H	α-helix	trans	-55	-39.4	-175.4	52.4	0	0	0	0	112	F846 L852 L853 I854	F846-S850 PolarHBondContact O-N 2.83Å; S850-L852 VanDerWaalsContact C-N 3.28Å; S850-L852 PolarHBondContact O-N 2.85Å; S850-L853 WeakPolarHBondContact O-CB 3.38Å; S850-L853 PolarHBondContact O-N 3Å; S850-I854 PolarHBondContact O-N 3.04Å
851	D	92.6	Very high	92.9	Very high	111 Å²	111	47.1 Å²	47.1	59%	0.594	24%	0.244	S	C	*	.	H	α-helix	trans	-64.2	-35.5	-180	-55.6	-13.7	0	0	0	111.3	F849 L853 I854 E855	F849-D851 PolarHBondContact O-N 3.48Å; D851-L853 VanDerWaalsContact C-N 3.29Å; D851-L853 PolarHBondContact O-N 3.5Å; D851-I854 WeakPolarHBondContact O-CB 3.39Å; D851-I854 PolarHBondContact O-N 3.13Å; D851-E855 PolarHBondContact O-N 2.98Å
852	L	94.6	Very high	93.2	Very high	13 Å²	13	47.3 Å²	47.3	7%	0.068	25%	0.25	C	S	.	.	H	α-helix	trans	-70	-26.6	175.8	-59.2	-174	0	0	0	112.5	V786 K787 L790 F849 S850 E855 H856	V786-L852 HydrophobicContact CB-CD1 4.09Å; V786-L852 HydrophobicContact CG1-CD1 3.83Å; K787-L852 HydrophobicContact CB-CD1 4.1Å; K787-L852 HydrophobicContact CB-CD2 3.94Å; K787-L852 HydrophobicContact CD-CD2 4.17Å; K787-L852 HydrophobicContact CG-CD2 4.21Å; L790-L852 HydrophobicContact CD1-CB 3.68Å; F849-L852 HydrophobicContact CB-CB 4.29Å; F849-L852 HydrophobicContact CB-CD1 4.05Å; F849-L852 HydrophobicContact CB-CG 4.26Å; F849-L852 HydrophobicContact CD1-CD1 3.9Å; F849-L852 HydrophobicContact CG-CD1 4.25Å; F849-L852 WeakPolarHBondContact O-CB 3.25Å; F849-L852 PolarHBondContact O-N 2.74Å; S850-L852 VanDerWaalsContact C-N 3.28Å; S850-L852 PolarHBondContact O-N 2.85Å; L852-E855 PolarHBondContact O-N 2.99Å; L852-H856 WeakPolarHBondContact O-CB 3.5Å; L852-H856 PolarHBondContact O-N 3.35Å
853	L	93.7	Very high	93.3	Very high	24 Å²	24	49.3 Å²	49.3	13%	0.126	26%	0.261	C	S	.	.	H	α-helix	trans	-73	-33	174	-160.7	68.8	0	0	0	111.2	I838 A843 F846 F849 S850 D851 H856 A857	I838-L853 HydrophobicContact CG2-CD1 3.85Å; I838-L853 HydrophobicContact CG2-CD2 4.44Å; I838-L853 HydrophobicContact CG2-CG 4.5Å; A843-L853 HydrophobicContact CB-CD2 3.77Å; F846-L853 HydrophobicContact CD2-CD1 4.02Å; F846-L853 HydrophobicContact CE2-CD1 4.46Å; F846-L853 HydrophobicContact CG-CD1 4.45Å; F849-L853 PolarHBondContact O-N 3.41Å; S850-L853 WeakPolarHBondContact O-CB 3.38Å; S850-L853 PolarHBondContact O-N 3Å; D851-L853 VanDerWaalsContact C-N 3.29Å; D851-L853 PolarHBondContact O-N 3.5Å; L853-H856 WeakPolarHBondContact O-CB 3.4Å; L853-H856 PolarHBondContact O-N 3.19Å; L853-A857 PolarHBondContact O-N 3.02Å
854	I	94.2	Very high	93.5	Very high	46 Å²	46	48.3 Å²	48.3	24%	0.236	25%	0.253	C	S	.	.	H	α-helix	trans	-66.5	-46.1	170.8	-57.8	167	0	0	0	109.6	S850 D851 H856 A857 E858 N898 L899	S850-I854 PolarHBondContact O-N 3.04Å; D851-I854 WeakPolarHBondContact O-CB 3.39Å; D851-I854 PolarHBondContact O-N 3.13Å; I854-H856 VanDerWaalsContact C-N 3.29Å; I854-H856 PolarHBondContact O-N 3.14Å; I854-A857 PolarHBondContact O-N 2.88Å; I854-A857 VanDerWaalsContact O-N 3.15Å; I854-E858 PolarHBondContact O-N 3.5Å; I854-N898 HydrophobicContact CD1-CB 3.7Å; I854-N898 HydrophobicContact CG1-CB 3.84Å; I854-N898 HydrophobicContact CG2-CB 4.18Å; I854-L899 HydrophobicContact CG2-CD2 4.39Å
855	E	95.2	Very high	93.8	Very high	76 Å²	76	40.8 Å²	40.8	36%	0.355	22%	0.218	S	C	.	.	H	α-helix	trans	-60.7	-36.9	174.5	-69.9	-175.2	-165.5	0	0	112.6	K787 D851 L852 E858 T859	K787-E855 WeakPolarHBondContact CE-OE2 3.29Å; K787-E855 IonicContact NZ-OE1 3.25Å; K787-E855 IonicContact NZ-OE2 2.74Å; K787-E855 PolarHBondContact NZ-OE2 3.45Å; D851-E855 PolarHBondContact O-N 2.98Å; L852-E855 PolarHBondContact O-N 2.99Å; E855-E858 PolarHBondContact O-N 3.13Å; E855-T859 WeakPolarHBondContact O-CB 3.34Å; E855-T859 PolarHBondContact O-N 2.85Å; E855-T859 PolarHBondContact O-OG1 2.78Å
856	H	96.3	Very high	93.8	Very high	3 Å²	3	44.2 Å²	44.2	1%	0.014	24%	0.236	C	C	.	.	H	α-helix	trans	-59.9	-48	172.7	172.3	86.5	0	0	0	111.4	L790 A794 L852 L853 I854 T859 Y860	L790-H856 HydrophobicContact CB-CB 4.24Å; L790-H856 PolarHBondContact O-ND1 2.83Å; A794-H856 VanDerWaalsContact CA-CE1 3.49Å; A794-H856 WeakPolarHBondContact CA-CE1 3.4Å; A794-H856 PolarHBondContact N-CE1 3.24Å; A794-H856 VanDerWaalsContact N-CE1 3.28Å; L852-H856 WeakPolarHBondContact O-CB 3.5Å; L852-H856 PolarHBondContact O-N 3.35Å; L853-H856 WeakPolarHBondContact O-CB 3.4Å; L853-H856 PolarHBondContact O-N 3.19Å; I854-H856 VanDerWaalsContact C-N 3.29Å; I854-H856 PolarHBondContact O-N 3.14Å; H856-T859 PolarHBondContact O-N 2.82Å; H856-Y860 VanDerWaalsContact O-CB 3.32Å; H856-Y860 WeakPolarHBondContact O-CB 3.42Å; H856-Y860 PolarHBondContact O-N 3.36Å
857	A	96.6	Very high	93.8	Very high	11 Å²	11	46 Å²	46	9%	0.091	25%	0.246	C	C	.	.	H	α-helix	trans	-63.3	-42	177.7	0	0	0	0	0	111.8	L835 L853 I854 T859 Y860 W861 L899	L835-A857 HydrophobicContact CD1-CB 4.4Å; L835-A857 HydrophobicContact CD2-CB 4.11Å; L853-A857 PolarHBondContact O-N 3.02Å; I854-A857 PolarHBondContact O-N 2.88Å; I854-A857 VanDerWaalsContact O-N 3.15Å; A857-T859 PolarHBondContact O-N 3.49Å; A857-Y860 WeakPolarHBondContact O-CB 3.33Å; A857-Y860 PolarHBondContact O-N 3.38Å; A857-W861 WeakPolarHBondContact O-CB 3.39Å; A857-W861 PolarHBondContact O-N 3.34Å; A857-L899 HydrophobicContact CB-CD1 4.36Å; A857-L899 HydrophobicContact CB-CD2 4.09Å
858	E	96.6	Very high	94.1	Very high	26 Å²	26	43 Å²	43	12%	0.121	22%	0.221	C	C	.	.	H	α-helix	trans	-63.7	-39.2	175	-76.2	-77	-165.5	0	0	112.6	I854 E855 S862 L899 G902 T903 F904	I854-E858 PolarHBondContact O-N 3.5Å; E855-E858 PolarHBondContact O-N 3.13Å; E858-S862 VanDerWaalsContact O-CB 3.28Å; E858-S862 WeakPolarHBondContact O-CB 3.41Å; E858-S862 PolarHBondContact O-N 2.91Å; E858-S862 PolarHBondContact O-OG 3.07Å; E858-L899 HydrophobicContact CG-CD2 4.13Å; E858-G902 WeakPolarHBondContact OE1-CA 3.5Å; E858-T903 PolarHBondContact OE1-N 3.28Å; E858-T903 PolarHBondContact OE2-N 3.03Å; E858-F904 WeakPolarHBondContact OE2-CB 3.35Å; E858-F904 PolarHBondContact OE2-N 3.45Å
859	T	96.7	Very high	94.6	Very high	45 Å²	45	36.7 Å²	36.7	28%	0.276	20%	0.201	S	C	.	.	H	α-helix	trans	-65	-44.6	174.9	-58	0	0	0	0	110.5	A794 E855 H856 A857 S862 L863	A794-T859 HydrophobicContact CB-CG2 3.9Å; E855-T859 WeakPolarHBondContact O-CB 3.34Å; E855-T859 PolarHBondContact O-N 2.85Å; E855-T859 PolarHBondContact O-OG1 2.78Å; H856-T859 PolarHBondContact O-N 2.82Å; A857-T859 PolarHBondContact O-N 3.49Å; T859-S862 WeakPolarHBondContact O-CB 3.41Å; T859-S862 PolarHBondContact O-N 3.11Å; T859-L863 WeakPolarHBondContact O-CG 3.29Å; T859-L863 PolarHBondContact O-N 3.12Å; T859-L863 VanDerWaalsContact O-N 3.08Å
860	Y	97.4	Very high	94.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-47	177.6	-174.6	-100.6	0	0	0	112	A794 N797 Y798 M801 C831 L834 L835 H856 A857 S862 L863 Y864	A794-Y860 HydrophobicContact CB-CD2 4.49Å; A794-Y860 WeakPolarHBondContact O-CD2 3.44Å; N797-Y860 HydrophobicContact CB-CD2 4.36Å; N797-Y860 HydrophobicContact CB-CE2 3.86Å; Y798-Y860 HydrophobicContact CD2-CD2 4.39Å; Y798-Y860 HydrophobicContact CD2-CE2 4.07Å; Y798-Y860 HydrophobicContact CG-CE2 4.47Å; M801-Y860 HydrophobicContact CE-CE1 4.28Å; M801-Y860 HydrophobicContact CE-CE2 4.14Å; M801-Y860 WeakPolarHBondContact CE-OH 3.32Å; M801-Y860 PolarHBondContact SD-OH 3.03Å; C831-Y860 HydrophobicContact CB-CE1 3.85Å; L834-Y860 WeakPolarHBondContact CD1-OH 3.45Å; L834-Y860 HydrophobicContact CD2-CE1 4.39Å; L834-Y860 HydrophobicContact CD2-CE2 4.12Å; L835-Y860 HydrophobicContact CD1-CD1 4.1Å; L835-Y860 HydrophobicContact CD1-CE1 4.48Å; L835-Y860 HydrophobicContact CD2-CD1 4.12Å; L835-Y860 HydrophobicContact CG-CD1 4.14Å; L835-Y860 HydrophobicContact CG-CE1 4.28Å; H856-Y860 VanDerWaalsContact O-CB 3.32Å; H856-Y860 WeakPolarHBondContact O-CB 3.42Å; H856-Y860 PolarHBondContact O-N 3.36Å; A857-Y860 WeakPolarHBondContact O-CB 3.33Å; A857-Y860 PolarHBondContact O-N 3.38Å; Y860-S862 VanDerWaalsContact C-N 3.3Å; Y860-S862 PolarHBondContact O-N 2.95Å; Y860-L863 WeakPolarHBondContact O-CB 3.39Å; Y860-L863 PolarHBondContact O-N 3.15Å; Y860-Y864 PolarHBondContact O-N 3.19Å; Y860-Y864 VanDerWaalsContact O-N 3.12Å
861	W	97.4	Very high	94.9	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.9	-30.6	174.7	-76.5	124.4	0	0	0	113.2	C831 I832 L835 A857 L863 Y864 L865 L889 Y892 F904	C831-W861 HydrophobicContact CB-CH2 3.43Å; C831-W861 VanDerWaalsContact CB-CH2 3.43Å; C831-W861 HydrophobicContact CB-CZ2 4.2Å; C831-W861 HydrophobicContact CB-CZ3 3.71Å; I832-W861 HydrophobicContact CG1-CH2 3.98Å; I832-W861 HydrophobicContact CG1-CZ2 4.12Å; L835-W861 HydrophobicContact CD1-CD2 4.5Å; L835-W861 HydrophobicContact CD1-CZ2 3.72Å; A857-W861 WeakPolarHBondContact O-CB 3.39Å; A857-W861 PolarHBondContact O-N 3.34Å; W861-L863 VanDerWaalsContact C-N 3.3Å; W861-L863 PolarHBondContact O-N 2.63Å; W861-Y864 AromaticContact CE3-CD1 3.75Å; W861-Y864 HydrophobicContact CE3-CD1 3.75Å; W861-Y864 AromaticContact CE3-CG 3.85Å; W861-Y864 HydrophobicContact CE3-CG 3.85Å; W861-Y864 AromaticContact CZ3-CD1 3.81Å; W861-Y864 HydrophobicContact CZ3-CD1 3.81Å; W861-Y864 HydrophobicContact CZ3-CD2 4.3Å; W861-Y864 HydrophobicContact CZ3-CE1 4.2Å; W861-Y864 AromaticContact CZ3-CG 3.88Å; W861-Y864 HydrophobicContact CZ3-CG 3.88Å; W861-Y864 WeakPolarHBondContact O-CB 3.47Å; W861-Y864 PolarHBondContact O-N 3.46Å; W861-L865 WeakPolarHBondContact O-CB 3.28Å; W861-L865 PolarHBondContact O-N 3.31Å; W861-L889 HydrophobicContact CH2-CD2 3.8Å; W861-L889 HydrophobicContact CZ3-CD2 3.68Å; W861-Y892 AromaticContact CE2-CE1 3.98Å; W861-Y892 AromaticContact CZ2-CD1 3.95Å; W861-Y892 HydrophobicContact CZ2-CD1 3.95Å; W861-Y892 AromaticContact CZ2-CE1 3.53Å; W861-Y892 HydrophobicContact CZ2-CE1 3.53Å; W861-Y892 AromaticContact NE1-CE1 3.89Å; W861-F904 HydrophobicContact CB-CB 3.73Å; W861-F904 HydrophobicContact CB-CD1 3.73Å; W861-F904 HydrophobicContact CB-CD2 3.77Å; W861-F904 HydrophobicContact CB-CE1 4.22Å; W861-F904 HydrophobicContact CB-CE2 4.26Å; W861-F904 HydrophobicContact CB-CG 3.47Å; W861-F904 VanDerWaalsContact CB-CG 3.47Å; W861-F904 HydrophobicContact CB-CZ 4.47Å; W861-F904 HydrophobicContact CD2-CD1 4.07Å; W861-F904 AromaticContact CD2-CE1 3.88Å; W861-F904 HydrophobicContact CD2-CE1 3.88Å; W861-F904 HydrophobicContact CD2-CZ 4.33Å; W861-F904 HydrophobicContact CE3-CD1 4.35Å; W861-F904 AromaticContact CE3-CE1 3.73Å; W861-F904 HydrophobicContact CE3-CE1 3.73Å; W861-F904 HydrophobicContact CE3-CE2 4.44Å; W861-F904 AromaticContact CE3-CZ 3.79Å; W861-F904 HydrophobicContact CE3-CZ 3.79Å; W861-F904 HydrophobicContact CG-CB 4.48Å; W861-F904 AromaticContact CG-CD1 3.8Å; W861-F904 HydrophobicContact CG-CD1 3.8Å; W861-F904 HydrophobicContact CG-CE1 4.1Å; W861-F904 HydrophobicContact CG-CG 4.08Å; W861-F904 HydrophobicContact CZ3-CE1 4.42Å; W861-F904 HydrophobicContact CZ3-CZ 4.46Å; W861-F904 WeakPolarHBondContact O-CD2 3.43Å; W861-F904 WeakPolarHBondContact O-CE2 3.41Å
862	S	96	Very high	95	Very high	40 Å²	40	29.9 Å²	29.9	28%	0.28	17%	0.168	S	C	.	.	H	α-helix	trans	-66.5	-32.6	173.9	-65.5	0	0	0	0	112.4	E858 T859 Y860	E858-S862 VanDerWaalsContact O-CB 3.28Å; E858-S862 WeakPolarHBondContact O-CB 3.41Å; E858-S862 PolarHBondContact O-N 2.91Å; E858-S862 PolarHBondContact O-OG 3.07Å; T859-S862 WeakPolarHBondContact O-CB 3.41Å; T859-S862 PolarHBondContact O-N 3.11Å; Y860-S862 VanDerWaalsContact C-N 3.3Å; Y860-S862 PolarHBondContact O-N 2.95Å
863	L	96.1	Very high	94.8	Very high	45 Å²	45	33.8 Å²	33.8	24%	0.236	20%	0.196	C	C	.	.	H	α-helix	trans	-68.4	-46.8	171.2	-63.7	169	0	0	0	110.6	L795 Y798 T859 Y860 W861 L865 V866	L795-L863 HydrophobicContact CB-CD1 4.29Å; L795-L863 HydrophobicContact CD1-CD1 4.05Å; L795-L863 HydrophobicContact CD1-CD2 4.16Å; Y798-L863 HydrophobicContact CD1-CB 3.62Å; Y798-L863 HydrophobicContact CD1-CD1 4.22Å; Y798-L863 HydrophobicContact CD1-CG 4.46Å; Y798-L863 HydrophobicContact CD2-CB 4.06Å; Y798-L863 HydrophobicContact CE1-CB 3.88Å; Y798-L863 HydrophobicContact CE2-CB 4.32Å; Y798-L863 HydrophobicContact CG-CB 3.73Å; Y798-L863 HydrophobicContact CG-CD1 4.05Å; T859-L863 WeakPolarHBondContact O-CG 3.29Å; T859-L863 PolarHBondContact O-N 3.12Å; T859-L863 VanDerWaalsContact O-N 3.08Å; Y860-L863 WeakPolarHBondContact O-CB 3.39Å; Y860-L863 PolarHBondContact O-N 3.15Å; W861-L863 VanDerWaalsContact C-N 3.3Å; W861-L863 PolarHBondContact O-N 2.63Å; L863-L865 VanDerWaalsContact C-N 3.25Å; L863-L865 PolarHBondContact O-N 2.93Å; L863-V866 WeakPolarHBondContact O-CB 3.2Å; L863-V866 PolarHBondContact O-N 3.32Å; L863-V866 VanDerWaalsContact O-N 3.15Å
864	Y	96.2	Very high	94.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-54.3	-40.8	174	179	-91.3	0	0	0	113.4	Y798 M824 M827 A828 C831 Y860 W861 V866 D867 M868 L885 L889 F904	Y798-Y864 VanDerWaalsContact CE2-CA 3.45Å; Y798-Y864 HydrophobicContact CE2-CD2 4.23Å; Y798-Y864 HydrophobicContact CE2-CG 4.48Å; Y798-Y864 VanDerWaalsContact OH-CA 3.3Å; Y798-Y864 WeakPolarHBondContact OH-CA 3.34Å; M824-Y864 HydrophobicContact CE-CD2 3.95Å; M824-Y864 HydrophobicContact CE-CE1 4.09Å; M824-Y864 HydrophobicContact CE-CE2 3.23Å; M824-Y864 VanDerWaalsContact CE-OH 3.28Å; M824-Y864 WeakPolarHBondContact CE-OH 3.38Å; M824-Y864 PolarHBondContact O-OH 3.24Å; M827-Y864 HydrophobicContact CB-CE2 4.21Å; M827-Y864 HydrophobicContact CE-CD2 4.42Å; M827-Y864 HydrophobicContact CG-CD2 4.23Å; M827-Y864 HydrophobicContact CG-CE2 3.94Å; M827-Y864 HydrophobicContact SD-CD2 4.21Å; M827-Y864 HydrophobicContact SD-CE2 4.15Å; A828-Y864 HydrophobicContact CB-CE2 4.39Å; C831-Y864 VanDerWaalsContact SG-CD2 3.58Å; Y860-Y864 PolarHBondContact O-N 3.19Å; Y860-Y864 VanDerWaalsContact O-N 3.12Å; W861-Y864 AromaticContact CE3-CD1 3.75Å; W861-Y864 HydrophobicContact CE3-CD1 3.75Å; W861-Y864 AromaticContact CE3-CG 3.85Å; W861-Y864 HydrophobicContact CE3-CG 3.85Å; W861-Y864 AromaticContact CZ3-CD1 3.81Å; W861-Y864 HydrophobicContact CZ3-CD1 3.81Å; W861-Y864 HydrophobicContact CZ3-CD2 4.3Å; W861-Y864 HydrophobicContact CZ3-CE1 4.2Å; W861-Y864 AromaticContact CZ3-CG 3.88Å; W861-Y864 HydrophobicContact CZ3-CG 3.88Å; W861-Y864 WeakPolarHBondContact O-CB 3.47Å; W861-Y864 PolarHBondContact O-N 3.46Å; Y864-V866 PolarHBondContact O-N 2.81Å; Y864-D867 PolarHBondContact O-N 3.26Å; Y864-M868 HydrophobicContact CD1-CB 4.38Å; Y864-M868 HydrophobicContact CE1-CB 3.98Å; Y864-M868 HydrophobicContact CE1-CG 4.21Å; Y864-M868 HydrophobicContact CE1-SD 3.89Å; Y864-M868 WeakPolarHBondContact O-CB 3.21Å; Y864-M868 PolarHBondContact O-N 2.92Å; Y864-L885 WeakPolarHBondContact OH-CD1 3.3Å; Y864-L889 HydrophobicContact CE1-CD1 3.9Å; Y864-L889 HydrophobicContact CE1-CD2 4.29Å; Y864-F904 HydrophobicContact CD1-CE2 4.09Å; Y864-F904 AromaticContact CD1-CZ 3.85Å; Y864-F904 HydrophobicContact CD1-CZ 3.85Å; Y864-F904 HydrophobicContact CE1-CZ 4.24Å
865	L	96.2	Very high	94.5	Very high	7 Å²	7	34.9 Å²	34.9	4%	0.037	20%	0.204	C	C	.	.	H	α-helix	trans	-57.9	-36.4	180	-176.9	61.2	0	0	0	112.8	W861 L863 M868 Q869 F904 K907 I911	W861-L865 WeakPolarHBondContact O-CB 3.28Å; W861-L865 PolarHBondContact O-N 3.31Å; L863-L865 VanDerWaalsContact C-N 3.25Å; L863-L865 PolarHBondContact O-N 2.93Å; L865-M868 HydrophobicContact CD1-CE 3.52Å; L865-M868 PolarHBondContact O-N 2.91Å; L865-Q869 HydrophobicContact CD1-CG 4.04Å; L865-Q869 HydrophobicContact CG-CG 4.29Å; L865-Q869 WeakPolarHBondContact O-CB 3.5Å; L865-Q869 VanDerWaalsContact O-CG 3.27Å; L865-Q869 WeakPolarHBondContact O-CG 3.31Å; L865-Q869 PolarHBondContact O-N 3.27Å; L865-F904 HydrophobicContact CB-CD2 4.02Å; L865-F904 HydrophobicContact CB-CE2 3.84Å; L865-F904 HydrophobicContact CD1-CD2 4.33Å; L865-F904 HydrophobicContact CD1-CE2 3.95Å; L865-F904 HydrophobicContact CD2-CD2 4.43Å; L865-F904 HydrophobicContact CG-CD2 4.5Å; L865-F904 HydrophobicContact CG-CE2 4.39Å; L865-K907 HydrophobicContact CD2-CB 3.96Å; L865-K907 HydrophobicContact CD2-CD 3.38Å; L865-K907 HydrophobicContact CD2-CG 4.32Å; L865-I911 HydrophobicContact CD1-CD1 3.75Å
866	V	93.7	Very high	94.3	Very high	93 Å²	93	34.4 Å²	34.4	56%	0.564	21%	0.207	S	C	*	.	H	α-helix	trans	-62.7	-48.6	-178.5	178	0	0	0	0	110.4	L863 Y864 Q869 A870	L863-V866 WeakPolarHBondContact O-CB 3.2Å; L863-V866 PolarHBondContact O-N 3.32Å; L863-V866 VanDerWaalsContact O-N 3.15Å; Y864-V866 PolarHBondContact O-N 2.81Å; V866-Q869 PolarHBondContact O-N 3.04Å; V866-A870 PolarHBondContact O-N 2.87Å
867	D	92.3	Very high	93.9	Very high	38 Å²	38	39.8 Å²	39.8	20%	0.203	24%	0.242	C	C	.	.	H	α-helix	trans	-70.6	-37.8	179.6	-66.9	-50.4	0	0	0	111.6	Y798 L807 L811 M824 Y864 Q869 A870 A871	Y798-D867 VanDerWaalsContact CE1-OD2 3.32Å; Y798-D867 WeakPolarHBondContact CE1-OD2 3.13Å; Y798-D867 PolarHBondContact OH-OD2 3.43Å; L807-D867 HydrophobicContact CD2-CB 4.17Å; L811-D867 HydrophobicContact CD1-CB 4.18Å; M824-D867 HydrophobicContact CE-CB 4.38Å; M824-D867 HydrophobicContact SD-CB 4.32Å; Y864-D867 PolarHBondContact O-N 3.26Å; D867-Q869 PolarHBondContact O-N 3.35Å; D867-A870 WeakPolarHBondContact O-CB 3.41Å; D867-A870 PolarHBondContact O-N 3.49Å; D867-A871 PolarHBondContact O-N 3.4Å
868	M	94.7	Very high	93.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58.8	-46.9	173.3	-171.1	-171.6	83.9	0	0	111.6	M824 Y864 L865 A870 A871 L872 L885 L889 L908 I911 F912	M824-M868 HydrophobicContact CE-CB 3.93Å; Y864-M868 HydrophobicContact CD1-CB 4.38Å; Y864-M868 HydrophobicContact CE1-CB 3.98Å; Y864-M868 HydrophobicContact CE1-CG 4.21Å; Y864-M868 HydrophobicContact CE1-SD 3.89Å; Y864-M868 WeakPolarHBondContact O-CB 3.21Å; Y864-M868 PolarHBondContact O-N 2.92Å; L865-M868 HydrophobicContact CD1-CE 3.52Å; L865-M868 PolarHBondContact O-N 2.91Å; M868-A870 VanDerWaalsContact C-N 3.33Å; M868-A870 PolarHBondContact O-N 3.11Å; M868-A871 PolarHBondContact O-N 2.82Å; M868-L872 HydrophobicContact CE-CD1 3.88Å; M868-L872 HydrophobicContact CG-CD1 3.94Å; M868-L872 HydrophobicContact CG-CG 4.43Å; M868-L872 WeakPolarHBondContact O-CB 3.47Å; M868-L872 VanDerWaalsContact O-CG 3.25Å; M868-L872 WeakPolarHBondContact O-CG 3.38Å; M868-L872 PolarHBondContact O-N 3.35Å; M868-L872 HydrophobicContact SD-CD1 4.46Å; M868-L885 HydrophobicContact CG-CD2 4.01Å; M868-L885 HydrophobicContact SD-CD2 4.39Å; M868-L889 HydrophobicContact SD-CD1 3.92Å; M868-L908 HydrophobicContact CE-CD1 3.86Å; M868-L908 HydrophobicContact SD-CD1 3.99Å; M868-I911 HydrophobicContact CE-CD1 3.76Å; M868-F912 HydrophobicContact CE-CE2 4.36Å
869	Q	94.2	Very high	93.2	Very high	93 Å²	93	43.2 Å²	43.2	44%	0.435	26%	0.261	S	S	.	.	H	α-helix	trans	-64.1	-39	177.8	-76.2	-178.7	-37.6	0	0	111.7	L865 V866 D867 L872 S873 I911	L865-Q869 HydrophobicContact CD1-CG 4.04Å; L865-Q869 HydrophobicContact CG-CG 4.29Å; L865-Q869 WeakPolarHBondContact O-CB 3.5Å; L865-Q869 VanDerWaalsContact O-CG 3.27Å; L865-Q869 WeakPolarHBondContact O-CG 3.31Å; L865-Q869 PolarHBondContact O-N 3.27Å; V866-Q869 PolarHBondContact O-N 3.04Å; D867-Q869 PolarHBondContact O-N 3.35Å; Q869-L872 PolarHBondContact O-N 3.01Å; Q869-S873 VanDerWaalsContact O-CB 3.3Å; Q869-S873 WeakPolarHBondContact O-CB 3.42Å; Q869-S873 PolarHBondContact O-N 2.87Å; Q869-S873 PolarHBondContact O-OG 3.09Å; Q869-I911 HydrophobicContact CG-CD1 3.92Å
870	A	91.4	Very high	92.8	Very high	43 Å²	43	44.2 Å²	44.2	36%	0.355	26%	0.26	S	S	.	.	H	α-helix	trans	-61.4	-44.4	174.1	0	0	0	0	0	111.5	V866 D867 M868 S873	V866-A870 PolarHBondContact O-N 2.87Å; D867-A870 WeakPolarHBondContact O-CB 3.41Å; D867-A870 PolarHBondContact O-N 3.49Å; M868-A870 VanDerWaalsContact C-N 3.33Å; M868-A870 PolarHBondContact O-N 3.11Å; A870-S873 PolarHBondContact O-N 3.09Å; A870-S873 PolarHBondContact O-OG 2.8Å
871	A	91.5	Very high	92.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65	-38.4	176.2	0	0	0	0	0	112.9	L811 R820 M824 D867 M868 V874 Q875	L811-A871 HydrophobicContact CD2-CB 4.27Å; R820-A871 HydrophobicContact CB-CB 4.2Å; M824-A871 HydrophobicContact CG-CB 3.58Å; M824-A871 HydrophobicContact SD-CB 4.28Å; D867-A871 PolarHBondContact O-N 3.4Å; M868-A871 PolarHBondContact O-N 2.82Å; A871-V874 WeakPolarHBondContact O-CG2 3.4Å; A871-Q875 PolarHBondContact O-NE2 3.11Å
872	L	93.2	Very high	92.3	Very high	25 Å²	25	48.8 Å²	48.8	13%	0.131	29%	0.285	C	S	.	.	H	α-helix	trans	-71.7	-34.1	177.4	-70.1	171	0	0	0	112.5	I821 M868 Q869 V874 Q875 A882 I911 F912	I821-L872 HydrophobicContact CD1-CD2 3.82Å; M868-L872 HydrophobicContact CE-CD1 3.88Å; M868-L872 HydrophobicContact CG-CD1 3.94Å; M868-L872 HydrophobicContact CG-CG 4.43Å; M868-L872 WeakPolarHBondContact O-CB 3.47Å; M868-L872 VanDerWaalsContact O-CG 3.25Å; M868-L872 WeakPolarHBondContact O-CG 3.38Å; M868-L872 PolarHBondContact O-N 3.35Å; M868-L872 HydrophobicContact SD-CD1 4.46Å; Q869-L872 PolarHBondContact O-N 3.01Å; L872-V874 PolarHBondContact O-N 3.12Å; L872-Q875 WeakPolarHBondContact O-CB 3.46Å; L872-Q875 WeakPolarHBondContact O-CG 3.26Å; L872-Q875 PolarHBondContact O-N 3.26Å; L872-A882 HydrophobicContact CD2-CB 3.61Å; L872-I911 HydrophobicContact CD1-CG2 3.79Å; L872-F912 HydrophobicContact CD1-CE2 4.14Å; L872-F912 HydrophobicContact CD1-CZ 4.13Å; L872-F912 HydrophobicContact CD2-CZ 4.15Å
873	S	91.5	Very high	92.2	Very high	94 Å²	94	47.3 Å²	47.3	66%	0.657	27%	0.273	S	S	*	.	H	α-helix	trans	-66	-21.5	-175.4	71.1	0	0	0	0	114.9	Q869 A870	Q869-S873 VanDerWaalsContact O-CB 3.3Å; Q869-S873 WeakPolarHBondContact O-CB 3.42Å; Q869-S873 PolarHBondContact O-N 2.87Å; Q869-S873 PolarHBondContact O-OG 3.09Å; A870-S873 PolarHBondContact O-N 3.09Å; A870-S873 PolarHBondContact O-OG 2.8Å
874	V	91	Very high	92.1	Very high	62 Å²	62	48.2 Å²	48.2	38%	0.376	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-1.4	-179.8	-60.4	0	0	0	0	113.2	P817 A871 L872	P817-V874 HydrophobicContact CB-CG2 4.49Å; A871-V874 WeakPolarHBondContact O-CG2 3.4Å; L872-V874 PolarHBondContact O-N 3.12Å
875	Q	91.3	Very high	92	Very high	31 Å²	31	48.2 Å²	48.2	15%	0.145	28%	0.282	C	S	.	.	S	Bend	trans	-67.6	139.9	178.5	-60.7	-52.9	-48.5	0	0	110.2	P817 I821 A871 L872	P817-Q875 VanDerWaalsContact C-NE2 3.33Å; P817-Q875 PolarHBondContact O-NE2 3.28Å; P817-Q875 PolarHBondContact O-OE1 3.41Å; I821-Q875 HydrophobicContact CD1-CG 4.07Å; I821-Q875 HydrophobicContact CG1-CG 4.26Å; A871-Q875 PolarHBondContact O-NE2 3.11Å; L872-Q875 WeakPolarHBondContact O-CB 3.46Å; L872-Q875 WeakPolarHBondContact O-CG 3.26Å; L872-Q875 PolarHBondContact O-N 3.26Å
876	P	90.7	Very high	92	Very high	66 Å²	66	47.9 Å²	47.9	43%	0.429	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-58.6	155.1	172.2	-17.9	28.8	0	0	0	111.5	T879	P876-T879 HydrophobicContact CB-CG2 3.72Å; P876-T879 HydrophobicContact CG-CG2 4Å; P876-T879 PolarHBondContact O-OG1 3.07Å
877	P	88.3	Confident	92	Very high	116 Å²	116	45.4 Å²	45.4	75%	0.753	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	149.8	175.5	28.2	-34.7	0	0	0	111	T879	P877-T879 PolarHBondContact O-N 2.88Å
878	D	88.2	Confident	92.2	Very high	74 Å²	74	45.6 Å²	45.6	40%	0.396	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	31.7	177	-58.1	-34.9	0	0	0	114	W880 R918 L922	D878-W880 HydrophobicContact CB-CZ2 4.06Å; D878-W880 PolarHBondContact O-NE1 3.36Å; D878-R918 IonicContact OD1-CZ 2.99Å; D878-R918 IonicContact OD1-NE 3.63Å; D878-R918 PolarHBondContact OD1-NE 2.86Å; D878-R918 IonicContact OD1-NH2 3.7Å; D878-R918 PolarHBondContact OD1-NH2 2.86Å; D878-R918 IonicContact OD2-CZ 2.65Å; D878-R918 IonicContact OD2-NE 3.51Å; D878-R918 IonicContact OD2-NH2 2.97Å; D878-R918 PolarHBondContact OD2-NH2 2.81Å; D878-L922 HydrophobicContact CB-CD1 3.91Å; D878-L922 VanDerWaalsContact CG-CD1 3.48Å; D878-L922 WeakPolarHBondContact OD1-CD1 3.09Å
879	T	89	Confident	92.2	Very high	35 Å²	35	45.6 Å²	45.6	22%	0.215	26%	0.264	C	S	.	.			trans	-98.4	144.3	168.8	60.8	0	0	0	0	112.3	P876 P877	P876-T879 HydrophobicContact CB-CG2 3.72Å; P876-T879 HydrophobicContact CG-CG2 4Å; P876-T879 PolarHBondContact O-OG1 3.07Å; P877-T879 PolarHBondContact O-N 2.88Å
880	W	89.6	Confident	92.3	Very high	66 Å²	66	41.2 Å²	41.2	25%	0.25	24%	0.243	C	C	.	.			trans	-118.1	4	-170.2	-46.1	116.4	0	0	0	113.9	D878 A882 F883 M915 R918 Y919 L922	D878-W880 HydrophobicContact CB-CZ2 4.06Å; D878-W880 PolarHBondContact O-NE1 3.36Å; W880-A882 PolarHBondContact O-N 3.36Å; W880-F883 HydrophobicContact CB-CD2 3.72Å; W880-F883 HydrophobicContact CB-CE2 3.68Å; W880-F883 AromaticContact CD2-CE2 3.94Å; W880-F883 HydrophobicContact CD2-CE2 3.94Å; W880-F883 HydrophobicContact CD2-CZ 4.45Å; W880-F883 AromaticContact CE3-CE2 3.46Å; W880-F883 HydrophobicContact CE3-CE2 3.46Å; W880-F883 VanDerWaalsContact CE3-CE2 3.46Å; W880-F883 AromaticContact CE3-CZ 3.54Å; W880-F883 HydrophobicContact CE3-CZ 3.54Å; W880-F883 HydrophobicContact CG-CE2 4.05Å; W880-F883 HydrophobicContact CZ3-CE2 4.41Å; W880-F883 HydrophobicContact CZ3-CZ 4.12Å; W880-F883 WeakPolarHBondContact O-CD2 3.16Å; W880-F883 PolarHBondContact O-N 3.47Å; W880-F883 VanDerWaalsContact O-N 3.09Å; W880-M915 WeakPolarHBondContact CZ3-O 3.37Å; W880-R918 HydrophobicContact CH2-CB 4.32Å; W880-R918 HydrophobicContact CH2-CG 3.95Å; W880-Y919 AromaticContact CD1-CD2 3.92Å; W880-Y919 AromaticContact CD1-CE2 3.95Å; W880-Y919 AromaticContact CD2-CD2 3.47Å; W880-Y919 HydrophobicContact CD2-CD2 3.47Å; W880-Y919 VanDerWaalsContact CD2-CD2 3.47Å; W880-Y919 HydrophobicContact CD2-CE2 4.22Å; W880-Y919 HydrophobicContact CD2-CG 4.22Å; W880-Y919 AromaticContact CE2-CD2 3.47Å; W880-Y919 VanDerWaalsContact CE2-CD2 3.47Å; W880-Y919 AromaticContact CE3-CD2 3.95Å; W880-Y919 HydrophobicContact CE3-CD2 3.95Å; W880-Y919 HydrophobicContact CE3-CG 4.25Å; W880-Y919 AromaticContact CG-CD2 3.79Å; W880-Y919 HydrophobicContact CG-CD2 3.79Å; W880-Y919 HydrophobicContact CG-CE2 4.06Å; W880-Y919 HydrophobicContact CH2-CD2 4.35Å; W880-Y919 AromaticContact CZ2-CD2 3.94Å; W880-Y919 HydrophobicContact CZ2-CD2 3.94Å; W880-Y919 HydrophobicContact CZ3-CD2 4.36Å; W880-Y919 HydrophobicContact CZ3-CG 4.45Å; W880-Y919 AromaticContact NE1-CD2 3.73Å; W880-L922 HydrophobicContact CH2-CD1 4.1Å; W880-L922 HydrophobicContact CZ2-CD1 3.69Å
881	D	88.6	Confident	92.4	Very high	93 Å²	93	41.8 Å²	41.8	50%	0.497	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.9	-175.8	-61.3	-29.7	0	0	0	113.2	I821 P884	I821-D881 WeakPolarHBondContact CG2-O 3.13Å; D881-P884 WeakPolarHBondContact O-CD 3.12Å
882	A	93.9	Very high	92.5	Very high	3 Å²	3	43.2 Å²	43.2	3%	0.025	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-10.9	176.9	0	0	0	0	0	114.5	I821 L872 W880 L885 F886 F912 M915	I821-A882 HydrophobicContact CD1-CB 4.18Å; I821-A882 HydrophobicContact CG2-CB 4.4Å; L872-A882 HydrophobicContact CD2-CB 3.61Å; W880-A882 PolarHBondContact O-N 3.36Å; A882-L885 VanDerWaalsContact O-CB 3.28Å; A882-L885 WeakPolarHBondContact O-CB 3.3Å; A882-L885 PolarHBondContact O-N 2.98Å; A882-L885 VanDerWaalsContact O-N 3.17Å; A882-F886 PolarHBondContact O-N 3.23Å; A882-F912 HydrophobicContact CB-CE1 3.9Å; A882-F912 HydrophobicContact CB-CZ 4.26Å; A882-F912 WeakPolarHBondContact O-CE1 3.49Å; A882-M915 HydrophobicContact CB-CE 4.29Å
883	F	94.2	Very high	92.6	Very high	9 Å²	9	42 Å²	42	4%	0.039	24%	0.24	C	C	.	.	H	α-helix	trans	-63.4	-39.4	-179.7	-68.8	-43.9	0	0	0	114.5	W880 L885 F886 E887 F912 M915 V916 Y919 F972	W880-F883 HydrophobicContact CB-CD2 3.72Å; W880-F883 HydrophobicContact CB-CE2 3.68Å; W880-F883 AromaticContact CD2-CE2 3.94Å; W880-F883 HydrophobicContact CD2-CE2 3.94Å; W880-F883 HydrophobicContact CD2-CZ 4.45Å; W880-F883 AromaticContact CE3-CE2 3.46Å; W880-F883 HydrophobicContact CE3-CE2 3.46Å; W880-F883 VanDerWaalsContact CE3-CE2 3.46Å; W880-F883 AromaticContact CE3-CZ 3.54Å; W880-F883 HydrophobicContact CE3-CZ 3.54Å; W880-F883 HydrophobicContact CG-CE2 4.05Å; W880-F883 HydrophobicContact CZ3-CE2 4.41Å; W880-F883 HydrophobicContact CZ3-CZ 4.12Å; W880-F883 WeakPolarHBondContact O-CD2 3.16Å; W880-F883 PolarHBondContact O-N 3.47Å; W880-F883 VanDerWaalsContact O-N 3.09Å; F883-L885 PolarHBondContact O-N 3.04Å; F883-F886 WeakPolarHBondContact O-CB 3.36Å; F883-F886 PolarHBondContact O-N 3.41Å; F883-E887 WeakPolarHBondContact O-CG 3.32Å; F883-E887 PolarHBondContact O-N 3.06Å; F883-F912 HydrophobicContact CD1-CD1 4.24Å; F883-F912 HydrophobicContact CE1-CD1 4.45Å; F883-M915 HydrophobicContact CE1-CB 4.14Å; F883-M915 HydrophobicContact CZ-CB 4.43Å; F883-V916 HydrophobicContact CE1-CG2 3.78Å; F883-V916 HydrophobicContact CZ-CG2 4.38Å; F883-Y919 HydrophobicContact CE2-CD1 4.38Å; F883-Y919 HydrophobicContact CE2-CD2 4.25Å; F883-Y919 AromaticContact CE2-CG 3.99Å; F883-Y919 HydrophobicContact CE2-CG 3.99Å; F883-Y919 HydrophobicContact CZ-CG 4.34Å; F883-F972 HydrophobicContact CB-CE2 4.29Å; F883-F972 HydrophobicContact CD1-CE2 4.25Å; F883-F972 HydrophobicContact CD1-CZ 4.21Å; F883-F972 HydrophobicContact CD2-CD2 4.48Å; F883-F972 AromaticContact CD2-CE2 3.39Å; F883-F972 HydrophobicContact CD2-CE2 3.39Å; F883-F972 AromaticContact CD2-CZ 3.8Å; F883-F972 HydrophobicContact CD2-CZ 3.8Å; F883-F972 HydrophobicContact CE1-CE2 4.45Å; F883-F972 HydrophobicContact CE1-CZ 4.01Å; F883-F972 AromaticContact CE2-CE2 3.6Å; F883-F972 HydrophobicContact CE2-CE2 3.6Å; F883-F972 AromaticContact CE2-CZ 3.54Å; F883-F972 HydrophobicContact CE2-CZ 3.54Å; F883-F972 AromaticContact CG-CE2 3.75Å; F883-F972 HydrophobicContact CG-CE2 3.75Å; F883-F972 HydrophobicContact CG-CZ 4.14Å; F883-F972 HydrophobicContact CZ-CE2 4.16Å; F883-F972 AromaticContact CZ-CZ 3.66Å; F883-F972 HydrophobicContact CZ-CZ 3.66Å
884	P	94.1	Very high	92.7	Very high	64 Å²	64	38.7 Å²	38.7	42%	0.416	22%	0.216	S	C	.	.	H	α-helix	trans	-56.8	-33	172.5	-26.8	35.8	0	0	0	113.6	I825 D881 L888	I825-P884 HydrophobicContact CD1-CB 4Å; D881-P884 WeakPolarHBondContact O-CD 3.12Å; P884-L888 WeakPolarHBondContact O-CB 3.4Å; P884-L888 PolarHBondContact O-N 3.3Å
885	L	95.5	Very high	92.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.7	-45	174.2	-180	58.8	0	0	0	111.6	M824 I825 A828 Y864 M868 A882 F883 L889	M824-L885 HydrophobicContact CB-CD1 4.32Å; M824-L885 HydrophobicContact CB-CD2 3.84Å; I825-L885 HydrophobicContact CB-CD1 4.45Å; I825-L885 HydrophobicContact CD1-CB 4.33Å; I825-L885 HydrophobicContact CG1-CB 3.72Å; I825-L885 HydrophobicContact CG1-CD1 3.82Å; I825-L885 HydrophobicContact CG1-CG 4.34Å; A828-L885 HydrophobicContact CB-CD1 4.1Å; Y864-L885 WeakPolarHBondContact OH-CD1 3.3Å; M868-L885 HydrophobicContact CG-CD2 4.01Å; M868-L885 HydrophobicContact SD-CD2 4.39Å; A882-L885 VanDerWaalsContact O-CB 3.28Å; A882-L885 WeakPolarHBondContact O-CB 3.3Å; A882-L885 PolarHBondContact O-N 2.98Å; A882-L885 VanDerWaalsContact O-N 3.17Å; F883-L885 PolarHBondContact O-N 3.04Å; L885-L889 HydrophobicContact CD1-CD1 3.98Å; L885-L889 HydrophobicContact CD1-CG 4.39Å; L885-L889 HydrophobicContact CG-CD1 4.12Å; L885-L889 WeakPolarHBondContact O-CG 3.28Å; L885-L889 PolarHBondContact O-N 3.48Å; L885-L889 VanDerWaalsContact O-N 3.16Å
886	F	95.4	Very high	92.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.2	-47.1	174.8	172.3	-99.6	0	0	0	111.8	A882 F883 L888 L889 N890 L908 L909 F912 Q976 W978	A882-F886 PolarHBondContact O-N 3.23Å; F883-F886 WeakPolarHBondContact O-CB 3.36Å; F883-F886 PolarHBondContact O-N 3.41Å; F886-L888 VanDerWaalsContact C-N 3.35Å; F886-L888 PolarHBondContact O-N 2.89Å; F886-L889 PolarHBondContact O-N 3.34Å; F886-N890 HydrophobicContact CD1-CB 4.47Å; F886-N890 HydrophobicContact CD2-CB 4.41Å; F886-N890 HydrophobicContact CE1-CB 4.1Å; F886-N890 HydrophobicContact CE2-CB 4.02Å; F886-N890 HydrophobicContact CZ-CB 3.86Å; F886-N890 WeakPolarHBondContact O-CB 3.38Å; F886-N890 PolarHBondContact O-N 2.96Å; F886-L908 HydrophobicContact CD2-CD1 4.3Å; F886-L908 HydrophobicContact CD2-CD2 4.15Å; F886-L908 HydrophobicContact CD2-CG 3.94Å; F886-L908 HydrophobicContact CE2-CD2 4.32Å; F886-L908 HydrophobicContact CE2-CG 4.19Å; F886-L909 HydrophobicContact CE2-CD2 3.94Å; F886-L909 HydrophobicContact CZ-CD2 3.98Å; F886-F912 HydrophobicContact CB-CD1 3.65Å; F886-F912 HydrophobicContact CB-CD2 4.02Å; F886-F912 HydrophobicContact CB-CE1 3.66Å; F886-F912 HydrophobicContact CB-CE2 4.04Å; F886-F912 HydrophobicContact CB-CG 3.83Å; F886-F912 HydrophobicContact CB-CZ 3.85Å; F886-F912 HydrophobicContact CD2-CB 3.7Å; F886-F912 HydrophobicContact CD2-CD1 4.28Å; F886-F912 AromaticContact CD2-CD2 3.63Å; F886-F912 HydrophobicContact CD2-CD2 3.63Å; F886-F912 HydrophobicContact CD2-CE2 4.32Å; F886-F912 AromaticContact CD2-CG 3.6Å; F886-F912 HydrophobicContact CD2-CG 3.6Å; F886-F912 HydrophobicContact CE2-CB 4.06Å; F886-F912 HydrophobicContact CE2-CG 4.44Å; F886-F912 HydrophobicContact CG-CB 4.14Å; F886-F912 HydrophobicContact CG-CD1 4.08Å; F886-F912 HydrophobicContact CG-CD2 4.18Å; F886-F912 AromaticContact CG-CG 3.87Å; F886-F912 HydrophobicContact CG-CG 3.87Å; F886-Q976 HydrophobicContact CE1-CB 4.2Å; F886-Q976 WeakPolarHBondContact CE1-O 3.3Å; F886-W978 HydrophobicContact CE1-CE3 4.06Å; F886-W978 AromaticContact CE1-CZ3 3.93Å; F886-W978 HydrophobicContact CE1-CZ3 3.93Å; F886-W978 HydrophobicContact CE2-CH2 4.4Å; F886-W978 HydrophobicContact CE2-CZ3 4.12Å; F886-W978 AromaticContact CZ-CE3 3.7Å; F886-W978 HydrophobicContact CZ-CE3 3.7Å; F886-W978 HydrophobicContact CZ-CH2 4.14Å; F886-W978 AromaticContact CZ-CZ3 3.47Å; F886-W978 HydrophobicContact CZ-CZ3 3.47Å; F886-W978 VanDerWaalsContact CZ-CZ3 3.47Å
887	E	94	Very high	92.4	Very high	41 Å²	41	50.5 Å²	50.5	19%	0.192	26%	0.257	C	S	.	.	H	α-helix	trans	-56	-48.7	179	-72.1	176.3	-168.8	0	0	110.9	F883 L889 D891 Q976	F883-E887 WeakPolarHBondContact O-CG 3.32Å; F883-E887 PolarHBondContact O-N 3.06Å; E887-L889 PolarHBondContact O-N 3.5Å; E887-D891 VanDerWaalsContact O-CB 3.24Å; E887-D891 WeakPolarHBondContact O-CB 3.45Å; E887-D891 PolarHBondContact O-N 3.46Å; E887-Q976 PolarHBondContact OE1-NE2 3.33Å
888	L	95.2	Very high	92.5	Very high	43 Å²	43	49.8 Å²	49.8	23%	0.225	25%	0.247	C	C	.	.	H	α-helix	trans	-57.8	-50.5	177.7	174.9	61.1	0	0	0	112.4	I825 A828 D829 I832 P884 F886 Y892	I825-L888 HydrophobicContact CG2-CD2 4.01Å; A828-L888 HydrophobicContact CB-CD2 3.7Å; A828-L888 HydrophobicContact CB-CG 4.46Å; D829-L888 WeakPolarHBondContact OD1-CD1 3.41Å; I832-L888 HydrophobicContact CD1-CD1 3.97Å; I832-L888 HydrophobicContact CD1-CG 4.08Å; P884-L888 WeakPolarHBondContact O-CB 3.4Å; P884-L888 PolarHBondContact O-N 3.3Å; F886-L888 VanDerWaalsContact C-N 3.35Å; F886-L888 PolarHBondContact O-N 2.89Å; L888-Y892 PolarHBondContact O-N 2.91Å
889	L	96.4	Very high	92.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-69.6	-46	-177.4	-69.4	170.8	0	0	0	111.5	A828 W861 Y864 M868 L885 F886 E887 Y892 L893 F904 L908	A828-L889 HydrophobicContact CB-CD2 3.78Å; A828-L889 HydrophobicContact CB-CG 4.29Å; W861-L889 HydrophobicContact CH2-CD2 3.8Å; W861-L889 HydrophobicContact CZ3-CD2 3.68Å; Y864-L889 HydrophobicContact CE1-CD1 3.9Å; Y864-L889 HydrophobicContact CE1-CD2 4.29Å; M868-L889 HydrophobicContact SD-CD1 3.92Å; L885-L889 HydrophobicContact CD1-CD1 3.98Å; L885-L889 HydrophobicContact CD1-CG 4.39Å; L885-L889 HydrophobicContact CG-CD1 4.12Å; L885-L889 WeakPolarHBondContact O-CG 3.28Å; L885-L889 PolarHBondContact O-N 3.48Å; L885-L889 VanDerWaalsContact O-N 3.16Å; F886-L889 PolarHBondContact O-N 3.34Å; E887-L889 PolarHBondContact O-N 3.5Å; L889-Y892 PolarHBondContact O-N 3.43Å; L889-L893 WeakPolarHBondContact O-CB 3.39Å; L889-L893 WeakPolarHBondContact O-CD1 3.39Å; L889-L893 WeakPolarHBondContact O-CG 3.43Å; L889-L893 PolarHBondContact O-N 3.04Å; L889-F904 HydrophobicContact CD1-CZ 4.37Å; L889-L908 HydrophobicContact CB-CD2 3.66Å; L889-L908 HydrophobicContact CD1-CD1 3.95Å; L889-L908 HydrophobicContact CD1-CD2 4.47Å
890	N	95.2	Very high	92.8	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-63.4	-43.2	-179.4	-176.1	42.2	0	0	0	111.1	F886 Y892 L893 C894 H905 Q976 N977	F886-N890 HydrophobicContact CD1-CB 4.47Å; F886-N890 HydrophobicContact CD2-CB 4.41Å; F886-N890 HydrophobicContact CE1-CB 4.1Å; F886-N890 HydrophobicContact CE2-CB 4.02Å; F886-N890 HydrophobicContact CZ-CB 3.86Å; F886-N890 WeakPolarHBondContact O-CB 3.38Å; F886-N890 PolarHBondContact O-N 2.96Å; N890-Y892 VanDerWaalsContact C-N 3.33Å; N890-Y892 PolarHBondContact O-N 3.28Å; N890-L893 PolarHBondContact O-N 3.42Å; N890-C894 WeakPolarHBondContact O-CB 3.47Å; N890-C894 PolarHBondContact O-N 2.93Å; N890-C894 PolarHBondContact O-SG 3.14Å; N890-C894 VanDerWaalsContact O-SG 3.36Å; N890-C894 PolarHBondContact OD1-SG 2.97Å; N890-C894 VanDerWaalsContact OD1-SG 3.32Å; N890-H905 PolarHBondContact OD1-NE2 3.5Å; N890-Q976 PolarHBondContact ND2-O 3.13Å; N890-N977 PolarHBondContact ND2-O 3.38Å
891	D	93.5	Very high	92.8	Very high	55 Å²	55	50 Å²	50	29%	0.294	26%	0.261	S	S	.	.	H	α-helix	trans	-64.5	-37	177.6	-88.3	-6.7	0	0	0	112.9	E887 K895 N977	E887-D891 VanDerWaalsContact O-CB 3.24Å; E887-D891 WeakPolarHBondContact O-CB 3.45Å; E887-D891 PolarHBondContact O-N 3.46Å; D891-K895 VanDerWaalsContact O-CD 3.29Å; D891-K895 WeakPolarHBondContact O-CD 3.35Å; D891-K895 VanDerWaalsContact O-CG 3.26Å; D891-K895 WeakPolarHBondContact O-CG 3.45Å; D891-K895 PolarHBondContact O-N 3.21Å; D891-N977 PolarHBondContact OD1-ND2 2.98Å
892	Y	94.7	Very high	93	Very high	29 Å²	29	46.4 Å²	46.4	11%	0.114	25%	0.246	C	C	.	.	H	α-helix	trans	-65.6	-52.7	173.5	167.1	-107.4	0	0	0	111.1	I832 W861 L888 L889 N890 C894 K895 D896 L899	I832-Y892 HydrophobicContact CB-CD2 4.43Å; I832-Y892 HydrophobicContact CD1-CD1 4.27Å; I832-Y892 HydrophobicContact CD1-CD2 4.42Å; I832-Y892 HydrophobicContact CD1-CG 3.9Å; I832-Y892 HydrophobicContact CG1-CD1 3.82Å; I832-Y892 HydrophobicContact CG1-CD2 4.04Å; I832-Y892 HydrophobicContact CG1-CE1 4.2Å; I832-Y892 HydrophobicContact CG1-CE2 4.4Å; I832-Y892 HydrophobicContact CG1-CG 3.73Å; I832-Y892 HydrophobicContact CG2-CD2 3.68Å; I832-Y892 HydrophobicContact CG2-CE2 3.87Å; I832-Y892 HydrophobicContact CG2-CG 4.23Å; W861-Y892 AromaticContact CE2-CE1 3.98Å; W861-Y892 AromaticContact CZ2-CD1 3.95Å; W861-Y892 HydrophobicContact CZ2-CD1 3.95Å; W861-Y892 AromaticContact CZ2-CE1 3.53Å; W861-Y892 HydrophobicContact CZ2-CE1 3.53Å; W861-Y892 AromaticContact NE1-CE1 3.89Å; L888-Y892 PolarHBondContact O-N 2.91Å; L889-Y892 PolarHBondContact O-N 3.43Å; N890-Y892 VanDerWaalsContact C-N 3.33Å; N890-Y892 PolarHBondContact O-N 3.28Å; Y892-C894 VanDerWaalsContact C-N 3.32Å; Y892-C894 PolarHBondContact O-N 2.88Å; Y892-K895 PolarHBondContact O-N 3.19Å; Y892-K895 VanDerWaalsContact O-N 3.14Å; Y892-D896 PolarHBondContact O-N 2.8Å; Y892-L899 HydrophobicContact CE1-CD1 4.18Å
893	L	95.2	Very high	93	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-63.9	-36.4	-177.3	-66.3	166.8	0	0	0	112.1	L889 N890 K895 D896 L899 K900 F904 H905 L908	L889-L893 WeakPolarHBondContact O-CB 3.39Å; L889-L893 WeakPolarHBondContact O-CD1 3.39Å; L889-L893 WeakPolarHBondContact O-CG 3.43Å; L889-L893 PolarHBondContact O-N 3.04Å; N890-L893 PolarHBondContact O-N 3.42Å; L893-K895 VanDerWaalsContact C-N 3.28Å; L893-K895 PolarHBondContact O-N 3.42Å; L893-D896 PolarHBondContact O-N 3.47Å; L893-D896 VanDerWaalsContact O-O 3.08Å; L893-L899 HydrophobicContact CD2-CB 3.78Å; L893-L899 HydrophobicContact CD2-CD1 4.15Å; L893-K900 WeakPolarHBondContact O-CA 3.31Å; L893-K900 WeakPolarHBondContact O-CB 3.43Å; L893-K900 PolarHBondContact O-N 2.97Å; L893-F904 HydrophobicContact CD1-CD1 3.77Å; L893-F904 HydrophobicContact CD1-CE1 3.82Å; L893-F904 HydrophobicContact CD2-CD1 4.17Å; L893-H905 HydrophobicContact CD1-CB 3.96Å; L893-L908 HydrophobicContact CD1-CD2 3.83Å
894	C	92.8	Very high	93.1	Very high	24 Å²	24	50 Å²	50	16%	0.162	27%	0.268	C	S	.	.	H	α-helix	trans	-67.6	-26.2	177.2	-81	0	0	0	0	113.6	N890 Y892	N890-C894 WeakPolarHBondContact O-CB 3.47Å; N890-C894 PolarHBondContact O-N 2.93Å; N890-C894 PolarHBondContact O-SG 3.14Å; N890-C894 VanDerWaalsContact O-SG 3.36Å; N890-C894 PolarHBondContact OD1-SG 2.97Å; N890-C894 VanDerWaalsContact OD1-SG 3.32Å; Y892-C894 VanDerWaalsContact C-N 3.32Å; Y892-C894 PolarHBondContact O-N 2.88Å
895	K	90	Very high	93.2	Very high	162 Å²	162	47 Å²	47	70%	0.704	25%	0.249	S	C	*	.	H	α-helix	trans	-81.2	-28.3	175.8	-72	166.9	-171.2	156.7	0	112.1	D891 Y892 L893	D891-K895 VanDerWaalsContact O-CD 3.29Å; D891-K895 WeakPolarHBondContact O-CD 3.35Å; D891-K895 VanDerWaalsContact O-CG 3.26Å; D891-K895 WeakPolarHBondContact O-CG 3.45Å; D891-K895 PolarHBondContact O-N 3.21Å; Y892-K895 PolarHBondContact O-N 3.19Å; Y892-K895 VanDerWaalsContact O-N 3.14Å; L893-K895 VanDerWaalsContact C-N 3.28Å; L893-K895 PolarHBondContact O-N 3.42Å
896	D	89.6	Confident	93.2	Very high	47 Å²	47	48.6 Å²	48.6	25%	0.251	27%	0.265	S	S	.	.			trans	-82.2	118.1	178.2	-167.5	-54.1	0	0	0	111.2	Y892 L893 N898 L899 K900	Y892-D896 PolarHBondContact O-N 2.8Å; L893-D896 PolarHBondContact O-N 3.47Å; L893-D896 VanDerWaalsContact O-O 3.08Å; D896-N898 VanDerWaalsContact C-N 3.27Å; D896-N898 PolarHBondContact O-N 2.92Å; D896-N898 PolarHBondContact OD1-N 3.25Å; D896-L899 HydrophobicContact CB-CB 4.1Å; D896-L899 HydrophobicContact CB-CD1 4.47Å; D896-L899 HydrophobicContact CB-CG 4.45Å; D896-L899 PolarHBondContact OD1-N 3.22Å; D896-L899 VanDerWaalsContact OD1-N 3.08Å; D896-K900 WeakPolarHBondContact O-CB 3.29Å; D896-K900 PolarHBondContact O-N 3.29Å
897	K	87.3	Confident	93.2	Very high	197 Å²	197	53.2 Å²	53.2	86%	0.857	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-28.6	-176.7	-66	-179.1	-178.5	177.2	0	113.5
898	N	89.5	Confident	93.3	Very high	102 Å²	102	51.2 Å²	51.2	55%	0.545	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-30	-174.4	-64.1	-33.6	0	0	0	111.6	I854 D896	I854-N898 HydrophobicContact CD1-CB 3.7Å; I854-N898 HydrophobicContact CG1-CB 3.84Å; I854-N898 HydrophobicContact CG2-CB 4.18Å; D896-N898 VanDerWaalsContact C-N 3.27Å; D896-N898 PolarHBondContact O-N 2.92Å; D896-N898 PolarHBondContact OD1-N 3.25Å
899	L	92.3	Very high	93.3	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.026	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-17.1	179	-59.2	177.6	0	0	0	113.4	I854 A857 E858 Y892 L893 D896 G901 G902	I854-L899 HydrophobicContact CG2-CD2 4.39Å; A857-L899 HydrophobicContact CB-CD1 4.36Å; A857-L899 HydrophobicContact CB-CD2 4.09Å; E858-L899 HydrophobicContact CG-CD2 4.13Å; Y892-L899 HydrophobicContact CE1-CD1 4.18Å; L893-L899 HydrophobicContact CD2-CB 3.78Å; L893-L899 HydrophobicContact CD2-CD1 4.15Å; D896-L899 HydrophobicContact CB-CB 4.1Å; D896-L899 HydrophobicContact CB-CD1 4.47Å; D896-L899 HydrophobicContact CB-CG 4.45Å; D896-L899 PolarHBondContact OD1-N 3.22Å; D896-L899 VanDerWaalsContact OD1-N 3.08Å; L899-G901 PolarHBondContact O-N 2.77Å; L899-G902 PolarHBondContact O-N 3.17Å
900	K	92.8	Very high	93.2	Very high	113 Å²	113	52.8 Å²	52.8	49%	0.491	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	106.4	176.1	-175.5	178.7	-178.1	175	0	111	L893 D896 G902	L893-K900 WeakPolarHBondContact O-CA 3.31Å; L893-K900 WeakPolarHBondContact O-CB 3.43Å; L893-K900 PolarHBondContact O-N 2.97Å; D896-K900 WeakPolarHBondContact O-CB 3.29Å; D896-K900 PolarHBondContact O-N 3.29Å; K900-G902 VanDerWaalsContact C-N 3.31Å
901	G	89.5	Confident	93.2	Very high	61 Å²	61	54.6 Å²	54.6	63%	0.629	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.7	11	179.2	0	0	0	0	0	112.1	L899 H905	L899-G901 PolarHBondContact O-N 2.77Å; G901-H905 PolarHBondContact N-ND1 3.42Å
902	G	92.9	Very high	93.3	Very high	18 Å²	18	52 Å²	52	19%	0.186	29%	0.289	C	S	.	.	S	Bend	trans	-67.4	-176.5	171.1	0	0	0	0	0	113.2	E858 L899 K900 H905 G906	E858-G902 WeakPolarHBondContact OE1-CA 3.5Å; L899-G902 PolarHBondContact O-N 3.17Å; K900-G902 VanDerWaalsContact C-N 3.31Å; G902-H905 PolarHBondContact O-N 3.38Å; G902-G906 PolarHBondContact O-N 3.09Å
903	T	93.7	Very high	93.2	Very high	85 Å²	85	51.6 Å²	51.6	52%	0.521	29%	0.292	S	S	.	.	H	α-helix	trans	-65.2	-47.3	-171.3	-58.3	0	0	0	0	111.3	E858 K907	E858-T903 PolarHBondContact OE1-N 3.28Å; E858-T903 PolarHBondContact OE2-N 3.03Å; T903-K907 WeakPolarHBondContact O-CG 3.45Å; T903-K907 PolarHBondContact O-N 2.66Å
904	F	96.1	Very high	93.1	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.009	32%	0.317	C	S	.	.	H	α-helix	trans	-63.6	-43.7	175.2	174.9	-109.6	0	0	0	112	E858 W861 Y864 L865 L889 L893 G906 K907 L908	E858-F904 WeakPolarHBondContact OE2-CB 3.35Å; E858-F904 PolarHBondContact OE2-N 3.45Å; W861-F904 HydrophobicContact CB-CB 3.73Å; W861-F904 HydrophobicContact CB-CD1 3.73Å; W861-F904 HydrophobicContact CB-CD2 3.77Å; W861-F904 HydrophobicContact CB-CE1 4.22Å; W861-F904 HydrophobicContact CB-CE2 4.26Å; W861-F904 HydrophobicContact CB-CG 3.47Å; W861-F904 VanDerWaalsContact CB-CG 3.47Å; W861-F904 HydrophobicContact CB-CZ 4.47Å; W861-F904 HydrophobicContact CD2-CD1 4.07Å; W861-F904 AromaticContact CD2-CE1 3.88Å; W861-F904 HydrophobicContact CD2-CE1 3.88Å; W861-F904 HydrophobicContact CD2-CZ 4.33Å; W861-F904 HydrophobicContact CE3-CD1 4.35Å; W861-F904 AromaticContact CE3-CE1 3.73Å; W861-F904 HydrophobicContact CE3-CE1 3.73Å; W861-F904 HydrophobicContact CE3-CE2 4.44Å; W861-F904 AromaticContact CE3-CZ 3.79Å; W861-F904 HydrophobicContact CE3-CZ 3.79Å; W861-F904 HydrophobicContact CG-CB 4.48Å; W861-F904 AromaticContact CG-CD1 3.8Å; W861-F904 HydrophobicContact CG-CD1 3.8Å; W861-F904 HydrophobicContact CG-CE1 4.1Å; W861-F904 HydrophobicContact CG-CG 4.08Å; W861-F904 HydrophobicContact CZ3-CE1 4.42Å; W861-F904 HydrophobicContact CZ3-CZ 4.46Å; W861-F904 WeakPolarHBondContact O-CD2 3.43Å; W861-F904 WeakPolarHBondContact O-CE2 3.41Å; Y864-F904 HydrophobicContact CD1-CE2 4.09Å; Y864-F904 AromaticContact CD1-CZ 3.85Å; Y864-F904 HydrophobicContact CD1-CZ 3.85Å; Y864-F904 HydrophobicContact CE1-CZ 4.24Å; L865-F904 HydrophobicContact CB-CD2 4.02Å; L865-F904 HydrophobicContact CB-CE2 3.84Å; L865-F904 HydrophobicContact CD1-CD2 4.33Å; L865-F904 HydrophobicContact CD1-CE2 3.95Å; L865-F904 HydrophobicContact CD2-CD2 4.43Å; L865-F904 HydrophobicContact CG-CD2 4.5Å; L865-F904 HydrophobicContact CG-CE2 4.39Å; L889-F904 HydrophobicContact CD1-CZ 4.37Å; L893-F904 HydrophobicContact CD1-CD1 3.77Å; L893-F904 HydrophobicContact CD1-CE1 3.82Å; L893-F904 HydrophobicContact CD2-CD1 4.17Å; F904-G906 PolarHBondContact O-N 2.91Å; F904-K907 PolarHBondContact O-N 3.31Å; F904-K907 VanDerWaalsContact O-N 3.17Å; F904-L908 WeakPolarHBondContact O-CB 3.42Å; F904-L908 PolarHBondContact O-N 2.88Å
905	H	96	Very high	93.1	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-61.4	-45.3	-178.5	-167.3	-166.5	0	0	0	111.6	N890 L893 G901 G902 K907 L908 L909	N890-H905 PolarHBondContact OD1-NE2 3.5Å; L893-H905 HydrophobicContact CD1-CB 3.96Å; G901-H905 PolarHBondContact N-ND1 3.42Å; G902-H905 PolarHBondContact O-N 3.38Å; H905-K907 VanDerWaalsContact C-N 3.33Å; H905-K907 PolarHBondContact O-N 2.9Å; H905-L908 WeakPolarHBondContact O-CB 3.4Å; H905-L908 PolarHBondContact O-N 2.85Å; H905-L909 VanDerWaalsContact O-CG 3.29Å; H905-L909 WeakPolarHBondContact O-CG 3.39Å; H905-L909 PolarHBondContact O-N 3.28Å
906	G	94.8	Very high	93.2	Very high	33 Å²	33	48.7 Å²	48.7	34%	0.34	29%	0.286	S	S	.	.	H	α-helix	trans	-59.9	-40.9	175.1	0	0	0	0	0	113	G902 F904 L909 A910	G902-G906 PolarHBondContact O-N 3.09Å; F904-G906 PolarHBondContact O-N 2.91Å; G906-L909 PolarHBondContact O-N 2.87Å; G906-A910 WeakPolarHBondContact O-CB 3.31Å; G906-A910 PolarHBondContact O-N 2.8Å
907	K	95.7	Very high	93.3	Very high	97 Å²	97	48.4 Å²	48.4	42%	0.422	29%	0.286	S	S	.	.	H	α-helix	trans	-66.8	-39	175.5	-70.7	-179.9	-173.8	175	0	112.4	L865 T903 F904 H905 A910 I911	L865-K907 HydrophobicContact CD2-CB 3.96Å; L865-K907 HydrophobicContact CD2-CD 3.38Å; L865-K907 HydrophobicContact CD2-CG 4.32Å; T903-K907 WeakPolarHBondContact O-CG 3.45Å; T903-K907 PolarHBondContact O-N 2.66Å; F904-K907 PolarHBondContact O-N 3.31Å; F904-K907 VanDerWaalsContact O-N 3.17Å; H905-K907 VanDerWaalsContact C-N 3.33Å; H905-K907 PolarHBondContact O-N 2.9Å; K907-A910 PolarHBondContact O-N 2.96Å; K907-I911 WeakPolarHBondContact O-CD1 3.27Å; K907-I911 VanDerWaalsContact O-CG1 3.25Å; K907-I911 WeakPolarHBondContact O-CG1 3.27Å; K907-I911 PolarHBondContact O-N 3.28Å; K907-I911 VanDerWaalsContact O-N 3.08Å
908	L	96.1	Very high	93.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.9	-50.6	175.5	-179.7	70.9	0	0	0	110.5	M868 F886 L889 L893 F904 H905 A910 I911 F912	M868-L908 HydrophobicContact CE-CD1 3.86Å; M868-L908 HydrophobicContact SD-CD1 3.99Å; F886-L908 HydrophobicContact CD2-CD1 4.3Å; F886-L908 HydrophobicContact CD2-CD2 4.15Å; F886-L908 HydrophobicContact CD2-CG 3.94Å; F886-L908 HydrophobicContact CE2-CD2 4.32Å; F886-L908 HydrophobicContact CE2-CG 4.19Å; L889-L908 HydrophobicContact CB-CD2 3.66Å; L889-L908 HydrophobicContact CD1-CD1 3.95Å; L889-L908 HydrophobicContact CD1-CD2 4.47Å; L893-L908 HydrophobicContact CD1-CD2 3.83Å; F904-L908 WeakPolarHBondContact O-CB 3.42Å; F904-L908 PolarHBondContact O-N 2.88Å; H905-L908 WeakPolarHBondContact O-CB 3.4Å; H905-L908 PolarHBondContact O-N 2.85Å; L908-A910 VanDerWaalsContact C-N 3.33Å; L908-A910 PolarHBondContact O-N 2.94Å; L908-I911 PolarHBondContact O-N 3.02Å; L908-F912 HydrophobicContact CD1-CD2 3.8Å; L908-F912 HydrophobicContact CD1-CE2 3.67Å; L908-F912 HydrophobicContact CG-CD2 4.38Å; L908-F912 WeakPolarHBondContact O-CD2 3.48Å; L908-F912 PolarHBondContact O-N 2.89Å; L908-F912 VanDerWaalsContact O-N 3.12Å
909	L	95.1	Very high	93.8	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-59.1	-44.4	177.7	-64.6	168.6	0	0	0	111.2	F886 H905 G906 I911 F912 A913 W978 P979 E980	F886-L909 HydrophobicContact CE2-CD2 3.94Å; F886-L909 HydrophobicContact CZ-CD2 3.98Å; H905-L909 VanDerWaalsContact O-CG 3.29Å; H905-L909 WeakPolarHBondContact O-CG 3.39Å; H905-L909 PolarHBondContact O-N 3.28Å; G906-L909 PolarHBondContact O-N 2.87Å; L909-I911 VanDerWaalsContact C-N 3.29Å; L909-I911 PolarHBondContact O-N 3.02Å; L909-F912 PolarHBondContact O-N 3.18Å; L909-A913 WeakPolarHBondContact O-CB 3.45Å; L909-A913 PolarHBondContact O-N 3.13Å; L909-W978 HydrophobicContact CB-CZ2 3.92Å; L909-W978 HydrophobicContact CD2-CD2 4.15Å; L909-W978 HydrophobicContact CD2-CH2 4.17Å; L909-W978 HydrophobicContact CD2-CZ2 3.74Å; L909-W978 HydrophobicContact CG-CZ2 4.43Å; L909-P979 HydrophobicContact CD1-CG 3.61Å; L909-P979 HydrophobicContact CD2-CG 3.75Å; L909-P979 HydrophobicContact CG-CG 4.31Å; L909-E980 HydrophobicContact CD1-CG 4.32Å
910	A	95	Very high	93.7	Very high	69 Å²	69	40.5 Å²	40.5	57%	0.57	24%	0.243	S	C	*	.	H	α-helix	trans	-62.2	-32.9	178.5	0	0	0	0	0	113.6	G906 K907 L908 P914	G906-A910 WeakPolarHBondContact O-CB 3.31Å; G906-A910 PolarHBondContact O-N 2.8Å; K907-A910 PolarHBondContact O-N 2.96Å; L908-A910 VanDerWaalsContact C-N 3.33Å; L908-A910 PolarHBondContact O-N 2.94Å; A910-P914 VanDerWaalsContact O-CD 3.3Å; A910-P914 WeakPolarHBondContact O-CD 3.29Å
911	I	94.8	Very high	93.6	Very high	39 Å²	39	37.2 Å²	37.2	20%	0.2	23%	0.231	C	C	.	.	H	α-helix	trans	-71.9	-46.1	176.8	-69.7	163.1	0	0	0	110.9	L865 M868 Q869 L872 K907 L908 L909 P914	L865-I911 HydrophobicContact CD1-CD1 3.75Å; M868-I911 HydrophobicContact CE-CD1 3.76Å; Q869-I911 HydrophobicContact CG-CD1 3.92Å; L872-I911 HydrophobicContact CD1-CG2 3.79Å; K907-I911 WeakPolarHBondContact O-CD1 3.27Å; K907-I911 VanDerWaalsContact O-CG1 3.25Å; K907-I911 WeakPolarHBondContact O-CG1 3.27Å; K907-I911 PolarHBondContact O-N 3.28Å; K907-I911 VanDerWaalsContact O-N 3.08Å; L908-I911 PolarHBondContact O-N 3.02Å; L909-I911 VanDerWaalsContact C-N 3.29Å; L909-I911 PolarHBondContact O-N 3.02Å; I911-P914 WeakPolarHBondContact O-CD 3.29Å; I911-P914 WeakPolarHBondContact O-CG 3.35Å
912	F	94.9	Very high	93.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-86.2	-21.5	-173.1	-79.2	-88	0	0	0	114	M868 L872 A882 F883 F886 L908 L909 M915 V916 W978	M868-F912 HydrophobicContact CE-CE2 4.36Å; L872-F912 HydrophobicContact CD1-CE2 4.14Å; L872-F912 HydrophobicContact CD1-CZ 4.13Å; L872-F912 HydrophobicContact CD2-CZ 4.15Å; A882-F912 HydrophobicContact CB-CE1 3.9Å; A882-F912 HydrophobicContact CB-CZ 4.26Å; A882-F912 WeakPolarHBondContact O-CE1 3.49Å; F883-F912 HydrophobicContact CD1-CD1 4.24Å; F883-F912 HydrophobicContact CE1-CD1 4.45Å; F886-F912 HydrophobicContact CB-CD1 3.65Å; F886-F912 HydrophobicContact CB-CD2 4.02Å; F886-F912 HydrophobicContact CB-CE1 3.66Å; F886-F912 HydrophobicContact CB-CE2 4.04Å; F886-F912 HydrophobicContact CB-CG 3.83Å; F886-F912 HydrophobicContact CB-CZ 3.85Å; F886-F912 HydrophobicContact CD2-CB 3.7Å; F886-F912 HydrophobicContact CD2-CD1 4.28Å; F886-F912 AromaticContact CD2-CD2 3.63Å; F886-F912 HydrophobicContact CD2-CD2 3.63Å; F886-F912 HydrophobicContact CD2-CE2 4.32Å; F886-F912 AromaticContact CD2-CG 3.6Å; F886-F912 HydrophobicContact CD2-CG 3.6Å; F886-F912 HydrophobicContact CE2-CB 4.06Å; F886-F912 HydrophobicContact CE2-CG 4.44Å; F886-F912 HydrophobicContact CG-CB 4.14Å; F886-F912 HydrophobicContact CG-CD1 4.08Å; F886-F912 HydrophobicContact CG-CD2 4.18Å; F886-F912 AromaticContact CG-CG 3.87Å; F886-F912 HydrophobicContact CG-CG 3.87Å; L908-F912 HydrophobicContact CD1-CD2 3.8Å; L908-F912 HydrophobicContact CD1-CE2 3.67Å; L908-F912 HydrophobicContact CG-CD2 4.38Å; L908-F912 WeakPolarHBondContact O-CD2 3.48Å; L908-F912 PolarHBondContact O-N 2.89Å; L908-F912 VanDerWaalsContact O-N 3.12Å; L909-F912 PolarHBondContact O-N 3.18Å; F912-M915 HydrophobicContact CD1-SD 4Å; F912-M915 HydrophobicContact CE1-SD 4.18Å; F912-M915 WeakPolarHBondContact O-CB 3.28Å; F912-M915 PolarHBondContact O-N 3.45Å; F912-V916 WeakPolarHBondContact O-CG2 3.38Å; F912-V916 PolarHBondContact O-N 3.17Å; F912-W978 HydrophobicContact CB-CH2 4.38Å
913	A	93.7	Very high	93.4	Very high	22 Å²	22	36.8 Å²	36.8	18%	0.182	21%	0.209	C	C	.	.	H	α-helix	trans	-52.7	-52	179	0	0	0	0	0	113.2	L909 M915 V916 V917 W978 F983	L909-A913 WeakPolarHBondContact O-CB 3.45Å; L909-A913 PolarHBondContact O-N 3.13Å; A913-M915 VanDerWaalsContact C-N 3.28Å; A913-M915 PolarHBondContact O-N 3.42Å; A913-V916 PolarHBondContact O-N 3.27Å; A913-V917 WeakPolarHBondContact O-CG2 3.34Å; A913-V917 PolarHBondContact O-N 2.85Å; A913-W978 VanDerWaalsContact CA-CH2 3.48Å; A913-W978 HydrophobicContact CB-CH2 3.81Å; A913-W978 HydrophobicContact CB-CZ2 3.76Å; A913-F983 HydrophobicContact CB-CZ 4.22Å
914	P	92.9	Very high	93.1	Very high	80 Å²	80	35.4 Å²	35.4	52%	0.519	20%	0.197	S	C	.	.	H	α-helix	trans	-64.4	-32	177.3	25.4	-34.9	0	0	0	112.8	A910 I911 R918	A910-P914 VanDerWaalsContact O-CD 3.3Å; A910-P914 WeakPolarHBondContact O-CD 3.29Å; I911-P914 WeakPolarHBondContact O-CD 3.29Å; I911-P914 WeakPolarHBondContact O-CG 3.35Å; P914-R918 WeakPolarHBondContact O-CB 3.28Å; P914-R918 PolarHBondContact O-N 3.15Å
915	M	92.8	Very high	92.6	Very high	45 Å²	45	40 Å²	40	22%	0.222	22%	0.218	C	C	.	.	H	α-helix	trans	-67.5	-43.8	176.4	-62.3	-179.7	66.8	0	0	111.3	W880 A882 F883 F912 A913 R918 Y919	W880-M915 WeakPolarHBondContact CZ3-O 3.37Å; A882-M915 HydrophobicContact CB-CE 4.29Å; F883-M915 HydrophobicContact CE1-CB 4.14Å; F883-M915 HydrophobicContact CZ-CB 4.43Å; F912-M915 HydrophobicContact CD1-SD 4Å; F912-M915 HydrophobicContact CE1-SD 4.18Å; F912-M915 WeakPolarHBondContact O-CB 3.28Å; F912-M915 PolarHBondContact O-N 3.45Å; A913-M915 VanDerWaalsContact C-N 3.28Å; A913-M915 PolarHBondContact O-N 3.42Å; M915-R918 PolarHBondContact O-N 3.35Å; M915-Y919 WeakPolarHBondContact O-CB 3.18Å; M915-Y919 PolarHBondContact O-N 2.76Å
916	V	92.8	Very high	92.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.8	-46.8	176	171	0	0	0	0	110.6	F883 F912 A913 R918 Y919 V920 F972 Q976 W978 F983 L987	F883-V916 HydrophobicContact CE1-CG2 3.78Å; F883-V916 HydrophobicContact CZ-CG2 4.38Å; F912-V916 WeakPolarHBondContact O-CG2 3.38Å; F912-V916 PolarHBondContact O-N 3.17Å; A913-V916 PolarHBondContact O-N 3.27Å; V916-R918 VanDerWaalsContact C-N 3.34Å; V916-R918 PolarHBondContact O-N 2.78Å; V916-Y919 PolarHBondContact O-N 3.36Å; V916-V920 VanDerWaalsContact O-CG2 3.26Å; V916-V920 WeakPolarHBondContact O-CG2 3.29Å; V916-V920 PolarHBondContact O-N 3.35Å; V916-F972 HydrophobicContact CG1-CE1 4.21Å; V916-F972 HydrophobicContact CG2-CZ 4.33Å; V916-Q976 HydrophobicContact CG2-CG 4.5Å; V916-W978 HydrophobicContact CB-CZ3 4.45Å; V916-W978 HydrophobicContact CG2-CZ3 3.85Å; V916-F983 HydrophobicContact CG1-CE1 4.49Å; V916-L987 HydrophobicContact CG1-CD1 3.76Å; V916-L987 HydrophobicContact CG1-CD2 4.1Å
917	V	91.8	Very high	91.5	Very high	41 Å²	41	40.1 Å²	40.1	25%	0.248	21%	0.214	C	C	.	.	H	α-helix	trans	-59.1	-47.3	176.2	173.4	0	0	0	0	110.6	A913 Y919 V920 D921 F983	A913-V917 WeakPolarHBondContact O-CG2 3.34Å; A913-V917 PolarHBondContact O-N 2.85Å; V917-Y919 PolarHBondContact O-N 2.82Å; V917-V920 PolarHBondContact O-N 2.59Å; V917-D921 PolarHBondContact O-N 2.87Å; V917-F983 HydrophobicContact CG2-CE2 3.79Å; V917-F983 HydrophobicContact CG2-CZ 3.79Å
918	R	93.4	Very high	90.7	Very high	99 Å²	99	38.5 Å²	38.5	37%	0.374	21%	0.208	S	C	.	.	H	α-helix	trans	-62.7	-39.9	179.7	-178.9	63	178.7	170.5	2.7	112.6	D878 W880 P914 M915 V916 D921 L922	D878-R918 IonicContact OD1-CZ 2.99Å; D878-R918 IonicContact OD1-NE 3.63Å; D878-R918 PolarHBondContact OD1-NE 2.86Å; D878-R918 IonicContact OD1-NH2 3.7Å; D878-R918 PolarHBondContact OD1-NH2 2.86Å; D878-R918 IonicContact OD2-CZ 2.65Å; D878-R918 IonicContact OD2-NE 3.51Å; D878-R918 IonicContact OD2-NH2 2.97Å; D878-R918 PolarHBondContact OD2-NH2 2.81Å; W880-R918 HydrophobicContact CH2-CB 4.32Å; W880-R918 HydrophobicContact CH2-CG 3.95Å; P914-R918 WeakPolarHBondContact O-CB 3.28Å; P914-R918 PolarHBondContact O-N 3.15Å; M915-R918 PolarHBondContact O-N 3.35Å; V916-R918 VanDerWaalsContact C-N 3.34Å; V916-R918 PolarHBondContact O-N 2.78Å; R918-D921 WeakPolarHBondContact O-CB 3.46Å; R918-D921 PolarHBondContact O-N 3.47Å; R918-L922 HydrophobicContact CG-CD1 4.22Å; R918-L922 WeakPolarHBondContact O-CG 3.33Å; R918-L922 PolarHBondContact O-N 3.35Å
919	Y	92.8	Very high	90	Very high	40 Å²	40	42.8 Å²	42.8	16%	0.157	23%	0.229	C	C	.	.	H	α-helix	trans	-61.6	-46.5	174.4	177.7	-109.4	0	0	0	111.3	W880 F883 M915 V916 V917 D921 L922 M923 L969 F972	W880-Y919 AromaticContact CD1-CD2 3.92Å; W880-Y919 AromaticContact CD1-CE2 3.95Å; W880-Y919 AromaticContact CD2-CD2 3.47Å; W880-Y919 HydrophobicContact CD2-CD2 3.47Å; W880-Y919 VanDerWaalsContact CD2-CD2 3.47Å; W880-Y919 HydrophobicContact CD2-CE2 4.22Å; W880-Y919 HydrophobicContact CD2-CG 4.22Å; W880-Y919 AromaticContact CE2-CD2 3.47Å; W880-Y919 VanDerWaalsContact CE2-CD2 3.47Å; W880-Y919 AromaticContact CE3-CD2 3.95Å; W880-Y919 HydrophobicContact CE3-CD2 3.95Å; W880-Y919 HydrophobicContact CE3-CG 4.25Å; W880-Y919 AromaticContact CG-CD2 3.79Å; W880-Y919 HydrophobicContact CG-CD2 3.79Å; W880-Y919 HydrophobicContact CG-CE2 4.06Å; W880-Y919 HydrophobicContact CH2-CD2 4.35Å; W880-Y919 AromaticContact CZ2-CD2 3.94Å; W880-Y919 HydrophobicContact CZ2-CD2 3.94Å; W880-Y919 HydrophobicContact CZ3-CD2 4.36Å; W880-Y919 HydrophobicContact CZ3-CG 4.45Å; W880-Y919 AromaticContact NE1-CD2 3.73Å; F883-Y919 HydrophobicContact CE2-CD1 4.38Å; F883-Y919 HydrophobicContact CE2-CD2 4.25Å; F883-Y919 AromaticContact CE2-CG 3.99Å; F883-Y919 HydrophobicContact CE2-CG 3.99Å; F883-Y919 HydrophobicContact CZ-CG 4.34Å; M915-Y919 WeakPolarHBondContact O-CB 3.18Å; M915-Y919 PolarHBondContact O-N 2.76Å; V916-Y919 PolarHBondContact O-N 3.36Å; V917-Y919 PolarHBondContact O-N 2.82Å; Y919-D921 VanDerWaalsContact C-N 3.34Å; Y919-D921 PolarHBondContact O-N 3.04Å; Y919-L922 PolarHBondContact O-N 3.26Å; Y919-M923 HydrophobicContact CD1-CG 4.35Å; Y919-M923 HydrophobicContact CD2-CG 4.24Å; Y919-M923 HydrophobicContact CE1-CG 3.97Å; Y919-M923 HydrophobicContact CE2-CG 3.86Å; Y919-M923 HydrophobicContact CE2-SD 4.36Å; Y919-M923 WeakPolarHBondContact O-CB 3.29Å; Y919-M923 WeakPolarHBondContact O-CG 3.39Å; Y919-M923 PolarHBondContact O-N 3.19Å; Y919-L969 HydrophobicContact CD1-CD1 4.06Å; Y919-L969 HydrophobicContact CE1-CD1 3.7Å; Y919-F972 AromaticContact CD1-CD1 3.62Å; Y919-F972 HydrophobicContact CD1-CD1 3.62Å; Y919-F972 HydrophobicContact CD1-CD2 4.5Å; Y919-F972 AromaticContact CD1-CE1 3.35Å; Y919-F972 HydrophobicContact CD1-CE1 3.35Å; Y919-F972 HydrophobicContact CD1-CE2 4.28Å; Y919-F972 HydrophobicContact CD1-CG 4.19Å; Y919-F972 AromaticContact CD1-CZ 3.72Å; Y919-F972 HydrophobicContact CD1-CZ 3.72Å; Y919-F972 HydrophobicContact CE1-CB 4.35Å; Y919-F972 AromaticContact CE1-CD1 3.53Å; Y919-F972 HydrophobicContact CE1-CD1 3.53Å; Y919-F972 HydrophobicContact CE1-CD2 4.06Å; Y919-F972 AromaticContact CE1-CE1 3.76Å; Y919-F972 HydrophobicContact CE1-CE1 3.76Å; Y919-F972 HydrophobicContact CE1-CE2 4.26Å; Y919-F972 AromaticContact CE1-CG 3.69Å; Y919-F972 HydrophobicContact CE1-CG 3.69Å; Y919-F972 HydrophobicContact CE1-CZ 4.11Å; Y919-F972 HydrophobicContact CG-CE1 4.38Å; Y919-F972 HydrophobicContact CG-CZ 4.44Å
920	V	90.4	Very high	89.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-43	176.7	176.2	0	0	0	0	110.6	V916 V917 L922 M923 E924 L969 I973 L987 R990 M994	V916-V920 VanDerWaalsContact O-CG2 3.26Å; V916-V920 WeakPolarHBondContact O-CG2 3.29Å; V916-V920 PolarHBondContact O-N 3.35Å; V917-V920 PolarHBondContact O-N 2.59Å; V920-L922 PolarHBondContact O-N 3.39Å; V920-M923 PolarHBondContact O-N 3.2Å; V920-E924 VanDerWaalsContact O-CB 3.28Å; V920-E924 WeakPolarHBondContact O-CB 3.47Å; V920-E924 PolarHBondContact O-N 3.44Å; V920-L969 HydrophobicContact CG2-CD1 4.16Å; V920-I973 HydrophobicContact CG2-CD1 4.48Å; V920-L987 HydrophobicContact CG2-CD2 4.36Å; V920-R990 HydrophobicContact CG1-CG 4.36Å; V920-M994 HydrophobicContact CG1-CE 4.08Å
921	D	90.6	Very high	88.1	Confident	43 Å²	43	39.5 Å²	39.5	23%	0.23	20%	0.202	C	C	.	.	H	α-helix	trans	-58.3	-47.4	176.2	-63.5	-19.1	0	0	0	112	V917 R918 Y919 E924 Q925 R990	V917-D921 PolarHBondContact O-N 2.87Å; R918-D921 WeakPolarHBondContact O-CB 3.46Å; R918-D921 PolarHBondContact O-N 3.47Å; Y919-D921 VanDerWaalsContact C-N 3.34Å; Y919-D921 PolarHBondContact O-N 3.04Å; D921-E924 WeakPolarHBondContact O-CB 3.33Å; D921-E924 PolarHBondContact O-N 3.17Å; D921-Q925 VanDerWaalsContact O-CG 3.31Å; D921-Q925 WeakPolarHBondContact O-CG 3.38Å; D921-Q925 PolarHBondContact O-N 3.1Å; D921-R990 IonicContact OD1-CZ 3.68Å; D921-R990 IonicContact OD1-NH1 2.82Å; D921-R990 PolarHBondContact OD1-NH1 3.33Å; D921-R990 IonicContact OD1-NH2 3.72Å; D921-R990 PolarHBondContact OD1-NH2 3.1Å
922	L	90.7	Very high	87	Confident	43 Å²	43	42.6 Å²	42.6	23%	0.225	22%	0.215	C	C	.	.	H	α-helix	trans	-72.4	-35.8	-177.6	-74.1	172.3	0	0	0	112.2	D878 W880 R918 Y919 V920 E924 Q925 S926	D878-L922 HydrophobicContact CB-CD1 3.91Å; D878-L922 VanDerWaalsContact CG-CD1 3.48Å; D878-L922 WeakPolarHBondContact OD1-CD1 3.09Å; W880-L922 HydrophobicContact CH2-CD1 4.1Å; W880-L922 HydrophobicContact CZ2-CD1 3.69Å; R918-L922 HydrophobicContact CG-CD1 4.22Å; R918-L922 WeakPolarHBondContact O-CG 3.33Å; R918-L922 PolarHBondContact O-N 3.35Å; Y919-L922 PolarHBondContact O-N 3.26Å; V920-L922 PolarHBondContact O-N 3.39Å; L922-E924 VanDerWaalsContact C-N 3.34Å; L922-Q925 PolarHBondContact O-N 3.14Å; L922-S926 VanDerWaalsContact O-CB 3.22Å; L922-S926 WeakPolarHBondContact O-CB 3.5Å; L922-S926 PolarHBondContact O-N 3.05Å
923	M	88	Confident	86.1	Confident	27 Å²	27	48.2 Å²	48.2	13%	0.133	24%	0.24	C	C	.	.	H	α-helix	trans	-63.7	-42.4	171	-78.2	-63.1	-62.5	0	0	111	Y919 V920 S926 I927 K965 L969	Y919-M923 HydrophobicContact CD1-CG 4.35Å; Y919-M923 HydrophobicContact CD2-CG 4.24Å; Y919-M923 HydrophobicContact CE1-CG 3.97Å; Y919-M923 HydrophobicContact CE2-CG 3.86Å; Y919-M923 HydrophobicContact CE2-SD 4.36Å; Y919-M923 WeakPolarHBondContact O-CB 3.29Å; Y919-M923 WeakPolarHBondContact O-CG 3.39Å; Y919-M923 PolarHBondContact O-N 3.19Å; V920-M923 PolarHBondContact O-N 3.2Å; M923-S926 PolarHBondContact O-N 2.91Å; M923-I927 WeakPolarHBondContact O-CD1 3.29Å; M923-I927 WeakPolarHBondContact O-CG1 3.4Å; M923-I927 PolarHBondContact O-N 2.86Å; M923-K965 HydrophobicContact CE-CB 3.67Å; M923-K965 HydrophobicContact CE-CD 4.46Å; M923-K965 HydrophobicContact CE-CG 3.9Å; M923-L969 HydrophobicContact CB-CD1 4.31Å; M923-L969 HydrophobicContact CB-CD2 3.94Å; M923-L969 HydrophobicContact CG-CD1 4.33Å
924	E	86.2	Confident	85.1	Confident	57 Å²	57	50.1 Å²	50.1	27%	0.266	25%	0.247	S	C	.	.	H	α-helix	trans	-59.8	-49	175.4	-173.6	171.3	-174.7	0	0	111.2	V920 D921 L922 S926 I927 E928 R990 M994 M998	V920-E924 VanDerWaalsContact O-CB 3.28Å; V920-E924 WeakPolarHBondContact O-CB 3.47Å; V920-E924 PolarHBondContact O-N 3.44Å; D921-E924 WeakPolarHBondContact O-CB 3.33Å; D921-E924 PolarHBondContact O-N 3.17Å; L922-E924 VanDerWaalsContact C-N 3.34Å; E924-S926 PolarHBondContact O-N 3.3Å; E924-I927 PolarHBondContact O-N 2.93Å; E924-E928 WeakPolarHBondContact O-CB 3.45Å; E924-E928 PolarHBondContact O-N 3.18Å; E924-R990 IonicContact OE2-CZ 3.8Å; E924-R990 IonicContact OE2-NE 3.91Å; E924-R990 PolarHBondContact OE2-NE 3.14Å; E924-R990 IonicContact OE2-NH2 3.78Å; E924-R990 PolarHBondContact OE2-NH2 3.35Å; E924-M994 HydrophobicContact CB-SD 3.58Å; E924-M994 VanDerWaalsContact CB-SD 3.58Å; E924-M994 HydrophobicContact CG-CG 4.24Å; E924-M994 HydrophobicContact CG-SD 3.75Å; E924-M998 HydrophobicContact CB-CE 4.43Å; E924-M998 HydrophobicContact CG-CE 3.79Å; E924-M998 WeakPolarHBondContact O-CE 3.3Å
925	Q	87.1	Confident	84	Confident	99 Å²	99	47 Å²	47	46%	0.463	23%	0.225	S	C	.	.	H	α-helix	trans	-62.5	-40.5	176	-71.4	171.5	21.5	0	0	112.6	D921 L922 E928 M929	D921-Q925 VanDerWaalsContact O-CG 3.31Å; D921-Q925 WeakPolarHBondContact O-CG 3.38Å; D921-Q925 PolarHBondContact O-N 3.1Å; L922-Q925 PolarHBondContact O-N 3.14Å; Q925-E928 PolarHBondContact O-N 3.43Å; Q925-M929 WeakPolarHBondContact O-CB 3.32Å; Q925-M929 WeakPolarHBondContact O-CG 3.31Å; Q925-M929 PolarHBondContact O-N 3.22Å
926	S	86	Confident	82.8	Confident	35 Å²	35	47.5 Å²	47.5	25%	0.245	24%	0.236	C	C	.	.	H	α-helix	trans	-62	-44.1	177.3	178.7	0	0	0	0	111.4	L922 M923 E924 S930 K965	L922-S926 VanDerWaalsContact O-CB 3.22Å; L922-S926 WeakPolarHBondContact O-CB 3.5Å; L922-S926 PolarHBondContact O-N 3.05Å; M923-S926 PolarHBondContact O-N 2.91Å; E924-S926 PolarHBondContact O-N 3.3Å; S926-S930 PolarHBondContact O-N 2.97Å; S926-S930 PolarHBondContact O-OG 3.43Å; S926-K965 PolarHBondContact OG-NZ 3.46Å; S926-K965 VanDerWaalsContact OG-NZ 3.16Å
927	I	81.3	Confident	81.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-68.3	-42.2	177.1	-61	160.2	0	0	0	110.3	M923 E924 M929 S930 I931 I962 K965 L966 M994 M998	M923-I927 WeakPolarHBondContact O-CD1 3.29Å; M923-I927 WeakPolarHBondContact O-CG1 3.4Å; M923-I927 PolarHBondContact O-N 2.86Å; E924-I927 PolarHBondContact O-N 2.93Å; I927-M929 PolarHBondContact O-N 3.48Å; I927-S930 WeakPolarHBondContact O-CB 3.48Å; I927-S930 PolarHBondContact O-N 3.35Å; I927-S930 VanDerWaalsContact O-N 3.13Å; I927-I931 HydrophobicContact CG2-CD1 4.07Å; I927-I931 WeakPolarHBondContact O-CG1 3.37Å; I927-I931 PolarHBondContact O-N 3.06Å; I927-I962 HydrophobicContact CG2-CB 4.43Å; I927-I962 HydrophobicContact CG2-CG1 4.23Å; I927-I962 HydrophobicContact CG2-CG2 3.72Å; I927-K965 HydrophobicContact CD1-CB 3.92Å; I927-K965 HydrophobicContact CG1-CB 3.7Å; I927-K965 HydrophobicContact CG1-CD 3.78Å; I927-K965 HydrophobicContact CG1-CG 4.36Å; I927-L966 HydrophobicContact CD1-CD2 3.91Å; I927-L966 HydrophobicContact CD1-CG 4.21Å; I927-M994 HydrophobicContact CD1-SD 4.28Å; I927-M998 HydrophobicContact CB-CE 3.57Å; I927-M998 HydrophobicContact CB-SD 3.55Å; I927-M998 VanDerWaalsContact CB-SD 3.55Å; I927-M998 HydrophobicContact CD1-CE 4.42Å; I927-M998 HydrophobicContact CD1-SD 3.85Å; I927-M998 HydrophobicContact CG1-SD 4.3Å; I927-M998 HydrophobicContact CG2-CB 4.42Å; I927-M998 HydrophobicContact CG2-CE 3.72Å; I927-M998 HydrophobicContact CG2-CG 4.11Å; I927-M998 HydrophobicContact CG2-SD 3.13Å; I927-M998 WeakPolarHBondContact CG2-SD 3.31Å
928	E	79.4	Confident	81	Confident	64 Å²	64	55.3 Å²	55.3	30%	0.299	27%	0.268	S	S	.	.	H	α-helix	trans	-60.3	-43.6	176.3	-176.4	162.3	-126.9	0	0	112.1	E924 Q925 S930 I931 E932 M998 K1001	E924-E928 WeakPolarHBondContact O-CB 3.45Å; E924-E928 PolarHBondContact O-N 3.18Å; Q925-E928 PolarHBondContact O-N 3.43Å; E928-S930 VanDerWaalsContact C-N 3.33Å; E928-S930 PolarHBondContact O-N 2.9Å; E928-I931 WeakPolarHBondContact O-CB 3.46Å; E928-I931 PolarHBondContact O-N 3.05Å; E928-I931 VanDerWaalsContact O-N 3.14Å; E928-E932 HydrophobicContact CG-CG 4.44Å; E928-E932 WeakPolarHBondContact O-CG 3.48Å; E928-E932 PolarHBondContact O-N 3.36Å; E928-M998 HydrophobicContact CB-CE 4.44Å; E928-K1001 IonicContact OE1-NZ 2.79Å; E928-K1001 PolarHBondContact OE1-NZ 2.96Å
929	M	81.3	Confident	80.2	Confident	90 Å²	90	57.8 Å²	57.8	44%	0.443	28%	0.281	S	S	.	.	H	α-helix	trans	-62.1	-39.3	173.3	-74.6	-168.1	-62.4	0	0	112.7	Q925 I927 I931 E932 K933	Q925-M929 WeakPolarHBondContact O-CB 3.32Å; Q925-M929 WeakPolarHBondContact O-CG 3.31Å; Q925-M929 PolarHBondContact O-N 3.22Å; I927-M929 PolarHBondContact O-N 3.48Å; M929-I931 PolarHBondContact O-N 2.77Å; M929-E932 PolarHBondContact O-N 3.43Å; M929-K933 WeakPolarHBondContact O-CB 3.4Å; M929-K933 PolarHBondContact O-N 3.16Å
930	S	79	Confident	79.3	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.014	28%	0.277	C	S	.	.	I	π-helix	trans	-60.7	-38.7	175.9	-50.7	0	0	0	0	110.3	S926 I927 E928 D934 F935 K965	S926-S930 PolarHBondContact O-N 2.97Å; S926-S930 PolarHBondContact O-OG 3.43Å; I927-S930 WeakPolarHBondContact O-CB 3.48Å; I927-S930 PolarHBondContact O-N 3.35Å; I927-S930 VanDerWaalsContact O-N 3.13Å; E928-S930 VanDerWaalsContact C-N 3.33Å; E928-S930 PolarHBondContact O-N 2.9Å; S930-D934 WeakPolarHBondContact CA-OD2 3.45Å; S930-D934 WeakPolarHBondContact O-CB 3.4Å; S930-D934 PolarHBondContact O-N 3.45Å; S930-F935 PolarHBondContact O-N 3.22Å; S930-K965 PolarHBondContact OG-NZ 2.92Å
931	I	70.2	Confident	78.6	Confident	3 Å²	3	62.7 Å²	62.7	2%	0.015	31%	0.305	C	S	.	.	I	π-helix	trans	-68.5	-45.5	175.4	-65.4	168	0	0	0	111.9	I927 E928 M929 I962 M998 K1001 T1015	I927-I931 HydrophobicContact CG2-CD1 4.07Å; I927-I931 WeakPolarHBondContact O-CG1 3.37Å; I927-I931 PolarHBondContact O-N 3.06Å; E928-I931 WeakPolarHBondContact O-CB 3.46Å; E928-I931 PolarHBondContact O-N 3.05Å; E928-I931 VanDerWaalsContact O-N 3.14Å; M929-I931 PolarHBondContact O-N 2.77Å; I931-I962 HydrophobicContact CG1-CD1 3.65Å; I931-I962 HydrophobicContact CG1-CG1 4.46Å; I931-M998 HydrophobicContact CD1-CB 3.92Å; I931-M998 HydrophobicContact CD1-CG 3.97Å; I931-K1001 HydrophobicContact CD1-CB 4.38Å; I931-K1001 HydrophobicContact CG2-CB 4.38Å; I931-T1015 HydrophobicContact CG2-CG2 4.02Å; I931-T1015 WeakPolarHBondContact O-CG2 3.05Å
932	E	72.1	Confident	77.6	Confident	104 Å²	104	63.4 Å²	63.4	49%	0.486	31%	0.308	S	S	.	.	I	π-helix	trans	-79.4	-40	-172.3	-71.4	-173.2	164.9	0	0	114.1	E928 M929 R1018	E928-E932 HydrophobicContact CG-CG 4.44Å; E928-E932 WeakPolarHBondContact O-CG 3.48Å; E928-E932 PolarHBondContact O-N 3.36Å; M929-E932 PolarHBondContact O-N 3.43Å; E932-R1018 PolarHBondContact O-NH1 3.37Å
933	K	76	Confident	76.4	Confident	118 Å²	118	65.2 Å²	65.2	51%	0.513	31%	0.314	S	S	.	.	I	π-helix	trans	-105.4	-46.7	-170.3	-66.5	179.1	-179.2	169	0	112.8	M929 A936	M929-K933 WeakPolarHBondContact O-CB 3.4Å; M929-K933 PolarHBondContact O-N 3.16Å; K933-A936 WeakPolarHBondContact O-CB 3.27Å; K933-A936 PolarHBondContact O-N 3.42Å
934	D	72.5	Confident	75.1	Confident	63 Å²	63	70.4 Å²	70.4	34%	0.337	34%	0.343	S	S	.	.	I	π-helix	trans	-77.3	-38.7	-169.7	-59.9	-29.9	0	0	0	111.2	S930 A936 K937 E938 T958	S930-D934 WeakPolarHBondContact CA-OD2 3.45Å; S930-D934 WeakPolarHBondContact O-CB 3.4Å; S930-D934 PolarHBondContact O-N 3.45Å; D934-A936 PolarHBondContact O-N 3.41Å; D934-A936 VanDerWaalsContact O-N 3.14Å; D934-K937 CarbonylContact O-C 3.58Å; D934-K937 PolarHBondContact O-N 2.94Å; D934-E938 PolarHBondContact O-N 3.13Å; D934-E938 VanDerWaalsContact O-N 3.09Å; D934-T958 HydrophobicContact CB-CG2 3.87Å
935	F	70.1	Confident	73.5	Confident	14 Å²	14	72.4 Å²	72.4	6%	0.061	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-59	-28	170.7	-101.4	-70.7	0	0	0	113.7	S930 K937 W940 T958 I962 T1015 V1048	S930-F935 PolarHBondContact O-N 3.22Å; F935-K937 PolarHBondContact O-N 3.49Å; F935-W940 AromaticContact CD1-CH2 3.92Å; F935-W940 HydrophobicContact CD1-CH2 3.92Å; F935-W940 HydrophobicContact CD1-CZ2 4.21Å; F935-W940 AromaticContact CE1-CH2 3.75Å; F935-W940 HydrophobicContact CE1-CH2 3.75Å; F935-W940 HydrophobicContact CE1-CZ2 4.48Å; F935-W940 HydrophobicContact CE1-CZ3 4.27Å; F935-T958 HydrophobicContact CB-CG2 4.43Å; F935-T958 HydrophobicContact CD2-CG2 3.48Å; F935-T958 VanDerWaalsContact CD2-CG2 3.48Å; F935-T958 HydrophobicContact CE2-CG2 3.84Å; F935-T958 HydrophobicContact CG-CG2 3.9Å; F935-T958 HydrophobicContact CZ-CG2 4.47Å; F935-I962 HydrophobicContact CD2-CD1 3.97Å; F935-I962 HydrophobicContact CE2-CD1 3.5Å; F935-T1015 HydrophobicContact CB-CG2 4.38Å; F935-V1048 HydrophobicContact CZ-CG1 4.48Å
936	A	66.9	Low	71.5	Confident	55 Å²	55	75.1 Å²	75.1	46%	0.455	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-71.7	-21.9	176.9	0	0	0	0	0	112.9	K933 D934	K933-A936 WeakPolarHBondContact O-CB 3.27Å; K933-A936 PolarHBondContact O-N 3.42Å; D934-A936 PolarHBondContact O-N 3.41Å; D934-A936 VanDerWaalsContact O-N 3.14Å
937	K	73.1	Confident	69.7	Low	169 Å²	169	78.9 Å²	78.9	74%	0.735	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-107.6	3.2	-178.9	-62.1	177.3	-176.2	172.7	0	112.6	D934 F935	D934-K937 CarbonylContact O-C 3.58Å; D934-K937 PolarHBondContact O-N 2.94Å; F935-K937 PolarHBondContact O-N 3.49Å
938	E	74.3	Confident	67.9	Low	37 Å²	37	86.1 Å²	86.1	17%	0.173	42%	0.42	C	S	.	.			trans	-65.1	136.5	-176.9	-176.1	53.9	-91	0	0	111.2	D934 W940 C956 G957 T958	D934-E938 PolarHBondContact O-N 3.13Å; D934-E938 VanDerWaalsContact O-N 3.09Å; E938-W940 HydrophobicContact CG-CD2 4.1Å; E938-W940 HydrophobicContact CG-CG 4.3Å; E938-W940 PolarHBondContact OE1-N 3.44Å; E938-C956 HydrophobicContact CG-CB 3.93Å; E938-G957 PolarHBondContact OE2-N 3.49Å; E938-T958 VanDerWaalsContact OE2-CB 3.23Å; E938-T958 WeakPolarHBondContact OE2-CB 3.42Å; E938-T958 PolarHBondContact OE2-N 2.8Å; E938-T958 PolarHBondContact OE2-OG1 2.83Å
939	K	75.8	Confident	66.2	Low	150 Å²	150	87.8 Å²	87.8	65%	0.652	44%	0.438	S	S	*	.			trans	-90	-14.1	179.7	-66.1	-173.5	-179.4	178.8	0	113.1	E941	K939-E941 VanDerWaalsContact C-N 3.28Å; K939-E941 HydrophobicContact CB-CG 4.08Å; K939-E941 WeakPolarHBondContact CD-OE1 3.32Å; K939-E941 PolarHBondContact O-N 3.41Å
940	W	75.1	Confident	64.3	Low	17 Å²	17	89.8 Å²	89.8	6%	0.064	46%	0.459	C	S	.	.			trans	63	32.9	-179.6	-54	91.2	0	0	0	113.6	F935 E938 C956 T1019 E1041 V1044 M1045 V1048	F935-W940 AromaticContact CD1-CH2 3.92Å; F935-W940 HydrophobicContact CD1-CH2 3.92Å; F935-W940 HydrophobicContact CD1-CZ2 4.21Å; F935-W940 AromaticContact CE1-CH2 3.75Å; F935-W940 HydrophobicContact CE1-CH2 3.75Å; F935-W940 HydrophobicContact CE1-CZ2 4.48Å; F935-W940 HydrophobicContact CE1-CZ3 4.27Å; E938-W940 HydrophobicContact CG-CD2 4.1Å; E938-W940 HydrophobicContact CG-CG 4.3Å; E938-W940 PolarHBondContact OE1-N 3.44Å; W940-C956 HydrophobicContact CE3-CB 4.29Å; W940-T1019 HydrophobicContact CH2-CG2 3.63Å; W940-T1019 WeakPolarHBondContact CH2-OG1 3.41Å; W940-T1019 HydrophobicContact CZ2-CG2 4.4Å; W940-T1019 HydrophobicContact CZ3-CG2 4.03Å; W940-E1041 HydrophobicContact CB-CB 3.79Å; W940-E1041 HydrophobicContact CB-CG 3.97Å; W940-V1044 HydrophobicContact CE3-CG1 4.23Å; W940-V1044 WeakPolarHBondContact O-CG2 3.5Å; W940-M1045 HydrophobicContact CB-CE 4.25Å; W940-M1045 HydrophobicContact CD2-CE 3.51Å; W940-M1045 HydrophobicContact CD2-CG 3.76Å; W940-M1045 HydrophobicContact CE3-CB 4.33Å; W940-M1045 HydrophobicContact CE3-CE 4.12Å; W940-M1045 HydrophobicContact CE3-CG 3.34Å; W940-M1045 HydrophobicContact CG-CE 3.55Å; W940-M1045 HydrophobicContact CH2-CG 4.04Å; W940-M1045 HydrophobicContact CZ2-CE 4.35Å; W940-M1045 HydrophobicContact CZ2-CG 4.4Å; W940-M1045 HydrophobicContact CZ3-CB 4.24Å; W940-M1045 HydrophobicContact CZ3-CG 3.5Å; W940-V1048 HydrophobicContact CZ3-CG2 4.32Å
941	E	75.5	Confident	62.7	Low	127 Å²	127	97.8 Å²	97.8	59%	0.593	49%	0.494	S	S	*	.			trans	-79.7	141.6	172.2	-65.5	172.7	-165	0	0	110	K939 K943	K939-E941 VanDerWaalsContact C-N 3.28Å; K939-E941 HydrophobicContact CB-CG 4.08Å; K939-E941 WeakPolarHBondContact CD-OE1 3.32Å; K939-E941 PolarHBondContact O-N 3.41Å; E941-K943 PolarHBondContact O-N 3.34Å
942	I	69.3	Low	61.7	Low	58 Å²	58	107.1 Å²	107.1	30%	0.297	53%	0.531	S	S	.	.			trans	-68.4	119.7	178.1	-60	160.6	0	0	0	108.8	N944 V1044 L1155	I942-N944 WeakPolarHBondContact CG2-OD1 3.15Å; I942-V1044 HydrophobicContact CB-CG2 4.27Å; I942-V1044 HydrophobicContact CD1-CG2 4.38Å; I942-V1044 HydrophobicContact CG1-CG2 3.29Å; I942-L1155 HydrophobicContact CD1-CD1 4.22Å; I942-L1155 HydrophobicContact CD1-CD2 3.62Å; I942-L1155 HydrophobicContact CD1-CG 4.45Å
943	K	65.9	Low	61	Low	80 Å²	80	103.1 Å²	103.1	35%	0.348	51%	0.514	S	S	.	.			trans	-94.4	100.2	174.5	-153.5	-177.6	-174.8	-149.6	0	110.1	E941 E945 G955	E941-K943 PolarHBondContact O-N 3.34Å; K943-E945 VanDerWaalsContact C-N 3.26Å; K943-E945 VanDerWaalsContact CE-CD 3.42Å; K943-E945 VanDerWaalsContact CE-OE1 3.23Å; K943-E945 WeakPolarHBondContact CE-OE1 3.48Å; K943-E945 WeakPolarHBondContact CE-OE2 3.29Å; K943-E945 HydrophobicContact CG-CG 4.5Å; K943-E945 IonicContact NZ-OE1 2.91Å; K943-E945 PolarHBondContact NZ-OE1 2.93Å; K943-E945 IonicContact NZ-OE2 3.06Å; K943-E945 PolarHBondContact NZ-OE2 3.14Å; K943-E945 PolarHBondContact O-N 3.4Å; K943-G955 PolarHBondContact N-O 3.19Å
944	N	59.8	Low	60.4	Low	137 Å²	137	101.5 Å²	101.5	73%	0.733	51%	0.505	S	S	*	.			trans	-79.6	70.7	173.3	-69.2	-23.9	0	0	0	110.4	I942	I942-N944 WeakPolarHBondContact CG2-OD1 3.15Å
945	E	52.4	Low	60.2	Low	98 Å²	98	98.5 Å²	98.5	46%	0.458	49%	0.489	S	S	.	.			trans	-94.2	117.5	170	-95.8	175.8	-179.2	0	0	110.4	K943 R947	K943-E945 VanDerWaalsContact C-N 3.26Å; K943-E945 VanDerWaalsContact CE-CD 3.42Å; K943-E945 VanDerWaalsContact CE-OE1 3.23Å; K943-E945 WeakPolarHBondContact CE-OE1 3.48Å; K943-E945 WeakPolarHBondContact CE-OE2 3.29Å; K943-E945 HydrophobicContact CG-CG 4.5Å; K943-E945 IonicContact NZ-OE1 2.91Å; K943-E945 PolarHBondContact NZ-OE1 2.93Å; K943-E945 IonicContact NZ-OE2 3.06Å; K943-E945 PolarHBondContact NZ-OE2 3.14Å; K943-E945 PolarHBondContact O-N 3.4Å; E945-R947 PolarHBondContact O-N 2.89Å
946	I	46.5	Very low	60.5	Low	157 Å²	157	97.8 Å²	97.8	81%	0.805	49%	0.486	S	S	*	.			trans	-71.3	106.2	169.5	-60.9	169.9	0	0	0	107.2
947	R	48.1	Very low	60.8	Low	113 Å²	113	96.3 Å²	96.3	43%	0.426	48%	0.476	S	S	.	.			trans	-105.8	147.3	167.4	-88.1	-175.1	158.7	-175.1	-4	111	E945 C949 W964	E945-R947 PolarHBondContact O-N 2.89Å; R947-C949 PolarHBondContact O-N 3.33Å; R947-C949 VanDerWaalsContact O-O 3.12Å; R947-W964 VanDerWaalsContact NH1-CB 3.26Å; R947-W964 VanDerWaalsContact NH1-CG 3.27Å; R947-W964 VanDerWaalsContact NH2-CG 3.28Å
948	V	43.6	Very low	61	Low	152 Å²	152	88.8 Å²	88.8	92%	0.921	44%	0.444	S	S	*	.	S	Bend	trans	-66.1	2	-166.9	177.5	0	0	0	0	114.3
949	C	42.7	Very low	60.9	Low	99 Å²	99	87.1 Å²	87.1	67%	0.669	44%	0.437	S	S	*	.	S	Bend	trans	-104.1	130.4	169.9	-67.2	0	0	0	0	108.7	R947 F951	R947-C949 PolarHBondContact O-N 3.33Å; R947-C949 VanDerWaalsContact O-O 3.12Å; C949-F951 PolarHBondContact O-N 3.43Å
950	C	40.8	Very low	61	Low	132 Å²	132	80.5 Å²	80.5	89%	0.892	41%	0.408	S	S	*	.	S	Bend	trans	-59.6	33.7	-167.8	-57.1	0	0	0	0	118.2
951	F	46.8	Very low	61.2	Low	170 Å²	170	83.7 Å²	83.7	75%	0.746	42%	0.424	S	S	*	.			trans	-120.8	114.2	173	-66.4	-83.4	0	0	0	108.6	C949 S953	C949-F951 PolarHBondContact O-N 3.43Å; F951-S953 PolarHBondContact O-N 2.99Å
952	Y	49.1	Very low	61.3	Low	200 Å²	200	77.8 Å²	77.8	78%	0.784	40%	0.396	S	S	*	.			trans	-67.2	97.8	165.2	-67.4	-88.4	0	0	0	107.5
953	S	56.5	Low	61.6	Low	20 Å²	20	75.1 Å²	75.1	14%	0.14	38%	0.382	C	S	.	.			trans	-73.1	136.4	169.4	74.4	0	0	0	0	108.6	F951 E960	F951-S953 PolarHBondContact O-N 2.99Å; S953-E960 PolarHBondContact OG-OE1 3.47Å; S953-E960 PolarHBondContact OG-OE2 3.38Å
954	R	64.3	Low	62.3	Low	83 Å²	83	76.9 Å²	76.9	31%	0.313	39%	0.387	S	S	.	.			trans	-118.8	29.3	180	-67.8	-175.5	179.6	164.5	-3.5	110.8	N1047 Q1154 L1155 V1156	R954-N1047 HydrophobicContact CB-CB 4.23Å; R954-N1047 WeakPolarHBondContact CB-ND2 3.3Å; R954-N1047 VanDerWaalsContact O-CB 3.31Å; R954-N1047 WeakPolarHBondContact O-CB 3.48Å; R954-N1047 PolarHBondContact O-ND2 2.71Å; R954-N1047 VanDerWaalsContact O-ND2 3.12Å; R954-Q1154 PolarHBondContact NH1-O 3.01Å; R954-L1155 WeakPolarHBondContact CD-O 3.46Å; R954-L1155 PolarHBondContact NH1-O 3.38Å; R954-V1156 PolarHBondContact NH1-O 2.77Å
955	G	67.4	Low	63.4	Low	0 Å²	0	71 Å²	71	0%	0	36%	0.355	C	S	.	.			trans	-77.5	-172.1	178.2	0	0	0	0	0	113.9	K943	K943-G955 PolarHBondContact N-O 3.19Å
956	C	76	Confident	64.8	Low	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.333	C	S	.	.			trans	-93.4	166.7	174.7	67.2	0	0	0	0	111.6	E938 W940 T958 S959 E960 V1044 V1048	E938-C956 HydrophobicContact CG-CB 3.93Å; W940-C956 HydrophobicContact CE3-CB 4.29Å; C956-T958 VanDerWaalsContact C-N 3.33Å; C956-T958 PolarHBondContact O-N 3.43Å; C956-S959 PolarHBondContact N-OG 2.75Å; C956-S959 PolarHBondContact O-N 3.35Å; C956-S959 PolarHBondContact O-OG 3.25Å; C956-S959 PolarHBondContact SG-OG 3.2Å; C956-E960 PolarHBondContact O-N 2.64Å; C956-E960 VanDerWaalsContact O-N 3.12Å; C956-V1044 HydrophobicContact CB-CG1 3.86Å; C956-V1048 HydrophobicContact CB-CG2 4.43Å
957	G	73.9	Confident	66.5	Low	23 Å²	23	62.3 Å²	62.3	24%	0.237	31%	0.311	C	S	.	.	H	α-helix	trans	-58.3	-43.7	-179	0	0	0	0	0	113.2	E938 E960 E961	E938-G957 PolarHBondContact OE2-N 3.49Å; G957-E960 PolarHBondContact O-N 2.78Å; G957-E961 PolarHBondContact O-N 3.18Å; G957-E961 VanDerWaalsContact O-N 3.11Å
958	T	76.4	Confident	68.2	Low	12 Å²	12	58.5 Å²	58.5	7%	0.074	30%	0.301	C	S	.	.	H	α-helix	trans	-64.4	-43.2	179.9	-52.3	0	0	0	0	112	D934 F935 E938 C956 E961 I962	D934-T958 HydrophobicContact CB-CG2 3.87Å; F935-T958 HydrophobicContact CB-CG2 4.43Å; F935-T958 HydrophobicContact CD2-CG2 3.48Å; F935-T958 VanDerWaalsContact CD2-CG2 3.48Å; F935-T958 HydrophobicContact CE2-CG2 3.84Å; F935-T958 HydrophobicContact CG-CG2 3.9Å; F935-T958 HydrophobicContact CZ-CG2 4.47Å; E938-T958 VanDerWaalsContact OE2-CB 3.23Å; E938-T958 WeakPolarHBondContact OE2-CB 3.42Å; E938-T958 PolarHBondContact OE2-N 2.8Å; E938-T958 PolarHBondContact OE2-OG1 2.83Å; C956-T958 VanDerWaalsContact C-N 3.33Å; C956-T958 PolarHBondContact O-N 3.43Å; T958-E961 PolarHBondContact O-N 3.08Å; T958-I962 HydrophobicContact CG2-CD1 4.01Å; T958-I962 WeakPolarHBondContact O-CD1 3.4Å; T958-I962 WeakPolarHBondContact O-CG1 3.47Å; T958-I962 PolarHBondContact O-N 2.89Å; T958-I962 VanDerWaalsContact O-N 3.13Å
959	S	74.1	Confident	70.2	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.014	26%	0.257	C	S	.	.	H	α-helix	trans	-65.5	-44.7	-179.8	63.9	0	0	0	0	111.4	C956 E961 I962 F963	C956-S959 PolarHBondContact N-OG 2.75Å; C956-S959 PolarHBondContact O-N 3.35Å; C956-S959 PolarHBondContact O-OG 3.25Å; C956-S959 PolarHBondContact SG-OG 3.2Å; S959-E961 VanDerWaalsContact C-N 3.3Å; S959-E961 PolarHBondContact O-N 2.95Å; S959-I962 PolarHBondContact O-N 2.79Å; S959-F963 WeakPolarHBondContact O-CD2 3.25Å; S959-F963 WeakPolarHBondContact O-CG 3.22Å; S959-F963 PolarHBondContact O-N 3.39Å
960	E	76.1	Confident	72.2	Confident	11 Å²	11	50.3 Å²	50.3	5%	0.051	24%	0.243	C	C	.	.	H	α-helix	trans	-64.1	-35.9	-179.9	-70.6	-53.8	112.4	0	0	112.5	S953 C956 G957 W964 R1055	S953-E960 PolarHBondContact OG-OE1 3.47Å; S953-E960 PolarHBondContact OG-OE2 3.38Å; C956-E960 PolarHBondContact O-N 2.64Å; C956-E960 VanDerWaalsContact O-N 3.12Å; G957-E960 PolarHBondContact O-N 2.78Å; E960-W964 VanDerWaalsContact O-CB 3.26Å; E960-W964 WeakPolarHBondContact O-CB 3.31Å; E960-W964 PolarHBondContact O-N 3.38Å; E960-R1055 IonicContact OE1-CZ 4Å; E960-R1055 IonicContact OE1-NH1 3.57Å; E960-R1055 PolarHBondContact OE1-NH1 3.33Å; E960-R1055 IonicContact OE1-NH2 3.77Å; E960-R1055 IonicContact OE2-CZ 3.66Å; E960-R1055 IonicContact OE2-NH1 3.47Å; E960-R1055 PolarHBondContact OE2-NH1 2.68Å; E960-R1055 IonicContact OE2-NH2 3.93Å; E960-R1055 PolarHBondContact OE2-NH2 3.36Å
961	E	79.2	Confident	74.3	Confident	84 Å²	84	46.7 Å²	46.7	39%	0.393	22%	0.219	S	C	.	.	H	α-helix	trans	-64	-44.9	173.6	-172.1	-177.8	160.6	0	0	111.9	G957 T958 S959 F963 W964 K965	G957-E961 PolarHBondContact O-N 3.18Å; G957-E961 VanDerWaalsContact O-N 3.11Å; T958-E961 PolarHBondContact O-N 3.08Å; S959-E961 VanDerWaalsContact C-N 3.3Å; S959-E961 PolarHBondContact O-N 2.95Å; E961-F963 PolarHBondContact O-N 3.21Å; E961-W964 WeakPolarHBondContact O-CB 3.49Å; E961-W964 PolarHBondContact O-N 2.92Å; E961-K965 HydrophobicContact CG-CD 4.43Å; E961-K965 WeakPolarHBondContact O-CG 3.37Å; E961-K965 PolarHBondContact O-N 3.32Å; E961-K965 WeakPolarHBondContact OE1-CE 3.19Å; E961-K965 IonicContact OE1-NZ 3.73Å; E961-K965 PolarHBondContact OE1-NZ 2.96Å
962	I	78.3	Confident	76.3	Confident	2 Å²	2	39 Å²	39	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-60.7	-47.9	177.8	-71.7	161.6	0	0	0	111	I927 I931 F935 T958 S959 W964 K965 L966	I927-I962 HydrophobicContact CG2-CB 4.43Å; I927-I962 HydrophobicContact CG2-CG1 4.23Å; I927-I962 HydrophobicContact CG2-CG2 3.72Å; I931-I962 HydrophobicContact CG1-CD1 3.65Å; I931-I962 HydrophobicContact CG1-CG1 4.46Å; F935-I962 HydrophobicContact CD2-CD1 3.97Å; F935-I962 HydrophobicContact CE2-CD1 3.5Å; T958-I962 HydrophobicContact CG2-CD1 4.01Å; T958-I962 WeakPolarHBondContact O-CD1 3.4Å; T958-I962 WeakPolarHBondContact O-CG1 3.47Å; T958-I962 PolarHBondContact O-N 2.89Å; T958-I962 VanDerWaalsContact O-N 3.13Å; S959-I962 PolarHBondContact O-N 2.79Å; I962-W964 VanDerWaalsContact C-N 3.32Å; I962-W964 PolarHBondContact O-N 3.49Å; I962-K965 PolarHBondContact O-N 2.93Å; I962-L966 HydrophobicContact CG2-CD1 4.22Å; I962-L966 PolarHBondContact O-N 2.89Å
963	F	76.4	Confident	78.1	Confident	3 Å²	3	30.2 Å²	30.2	1%	0.013	15%	0.152	C	C	.	.	H	α-helix	trans	-63.3	-41.4	179.2	-67.5	-52.1	0	0	0	112.3	S959 E961 K965 L966 E967 I999 D1051 S1052 R1055	S959-F963 WeakPolarHBondContact O-CD2 3.25Å; S959-F963 WeakPolarHBondContact O-CG 3.22Å; S959-F963 PolarHBondContact O-N 3.39Å; E961-F963 PolarHBondContact O-N 3.21Å; F963-K965 VanDerWaalsContact C-N 3.33Å; F963-K965 PolarHBondContact O-N 3.49Å; F963-L966 PolarHBondContact O-N 3.4Å; F963-E967 WeakPolarHBondContact O-CB 3.38Å; F963-E967 WeakPolarHBondContact O-CG 3.43Å; F963-E967 PolarHBondContact O-N 2.8Å; F963-I999 HydrophobicContact CE1-CG1 4.31Å; F963-D1051 HydrophobicContact CE2-CB 4.34Å; F963-S1052 WeakPolarHBondContact CZ-OG 3.45Å; F963-R1055 VanDerWaalsContact CB-CZ 3.43Å; F963-R1055 HydrophobicContact CD1-CB 4.19Å; F963-R1055 HydrophobicContact CD1-CG 4.34Å; F963-R1055 HydrophobicContact CE1-CB 4.17Å
964	W	80.7	Confident	79.4	Confident	116 Å²	116	37.6 Å²	37.6	44%	0.439	18%	0.182	S	C	.	.	H	α-helix	trans	-59.3	-44.3	173.7	177	58.2	0	0	0	112.5	R947 E960 E961 I962 L966 E967 S968	R947-W964 VanDerWaalsContact NH1-CB 3.26Å; R947-W964 VanDerWaalsContact NH1-CG 3.27Å; R947-W964 VanDerWaalsContact NH2-CG 3.28Å; E960-W964 VanDerWaalsContact O-CB 3.26Å; E960-W964 WeakPolarHBondContact O-CB 3.31Å; E960-W964 PolarHBondContact O-N 3.38Å; E961-W964 WeakPolarHBondContact O-CB 3.49Å; E961-W964 PolarHBondContact O-N 2.92Å; I962-W964 VanDerWaalsContact C-N 3.32Å; I962-W964 PolarHBondContact O-N 3.49Å; W964-L966 VanDerWaalsContact C-N 3.34Å; W964-L966 PolarHBondContact O-N 3.28Å; W964-E967 PolarHBondContact O-N 2.84Å; W964-S968 PolarHBondContact NE1-OG 3.32Å; W964-S968 VanDerWaalsContact O-CB 3.23Å; W964-S968 WeakPolarHBondContact O-CB 3.14Å; W964-S968 PolarHBondContact O-N 3.33Å; W964-S968 PolarHBondContact O-OG 2.97Å
965	K	83	Confident	80.4	Confident	15 Å²	15	39.7 Å²	39.7	7%	0.065	19%	0.19	C	C	.	.	H	α-helix	trans	-60.9	-43.3	177.2	-75.3	176.3	-176.2	169.2	0	111.1	M923 S926 I927 S930 E961 I962 F963 S968 L969	M923-K965 HydrophobicContact CE-CB 3.67Å; M923-K965 HydrophobicContact CE-CD 4.46Å; M923-K965 HydrophobicContact CE-CG 3.9Å; S926-K965 PolarHBondContact OG-NZ 3.46Å; S926-K965 VanDerWaalsContact OG-NZ 3.16Å; I927-K965 HydrophobicContact CD1-CB 3.92Å; I927-K965 HydrophobicContact CG1-CB 3.7Å; I927-K965 HydrophobicContact CG1-CD 3.78Å; I927-K965 HydrophobicContact CG1-CG 4.36Å; S930-K965 PolarHBondContact OG-NZ 2.92Å; E961-K965 HydrophobicContact CG-CD 4.43Å; E961-K965 WeakPolarHBondContact O-CG 3.37Å; E961-K965 PolarHBondContact O-N 3.32Å; E961-K965 WeakPolarHBondContact OE1-CE 3.19Å; E961-K965 IonicContact OE1-NZ 3.73Å; E961-K965 PolarHBondContact OE1-NZ 2.96Å; I962-K965 PolarHBondContact O-N 2.93Å; F963-K965 VanDerWaalsContact C-N 3.33Å; F963-K965 PolarHBondContact O-N 3.49Å; K965-S968 PolarHBondContact O-N 2.91Å; K965-L969 VanDerWaalsContact O-CB 3.28Å; K965-L969 WeakPolarHBondContact O-CB 3.49Å; K965-L969 PolarHBondContact O-N 3.28Å
966	L	81.7	Confident	81.1	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.8	-49.4	176.4	-72.7	171.3	0	0	0	112.2	I927 I962 F963 W964 S968 L969 Q970 M991 M994 A995 M998 I999 L1059	I927-L966 HydrophobicContact CD1-CD2 3.91Å; I927-L966 HydrophobicContact CD1-CG 4.21Å; I962-L966 HydrophobicContact CG2-CD1 4.22Å; I962-L966 PolarHBondContact O-N 2.89Å; F963-L966 PolarHBondContact O-N 3.4Å; W964-L966 VanDerWaalsContact C-N 3.34Å; W964-L966 PolarHBondContact O-N 3.28Å; L966-S968 VanDerWaalsContact C-N 3.31Å; L966-S968 PolarHBondContact O-N 2.88Å; L966-L969 PolarHBondContact O-N 3.31Å; L966-Q970 PolarHBondContact O-N 2.96Å; L966-M991 HydrophobicContact CB-CE 4.09Å; L966-M991 HydrophobicContact CD2-CE 3.87Å; L966-M991 WeakPolarHBondContact O-CE 3.36Å; L966-M994 HydrophobicContact CD2-CG 4.24Å; L966-A995 HydrophobicContact CD2-CB 4.27Å; L966-M998 HydrophobicContact CD2-SD 4.06Å; L966-I999 HydrophobicContact CD1-CG1 4.16Å; L966-L1059 HydrophobicContact CB-CD1 4.24Å; L966-L1059 HydrophobicContact CD1-CD1 4.37Å
967	E	80.8	Confident	81.5	Confident	72 Å²	72	43.4 Å²	43.4	34%	0.336	21%	0.21	S	C	.	.	H	α-helix	trans	-61.1	-41.5	178	-70.9	168.1	-169.5	0	0	111.4	F963 W964 L969 Q970 S971 R1055 L1059	F963-E967 WeakPolarHBondContact O-CB 3.38Å; F963-E967 WeakPolarHBondContact O-CG 3.43Å; F963-E967 PolarHBondContact O-N 2.8Å; W964-E967 PolarHBondContact O-N 2.84Å; E967-L969 VanDerWaalsContact C-N 3.33Å; E967-L969 PolarHBondContact O-N 2.83Å; E967-Q970 PolarHBondContact O-N 3.16Å; E967-S971 WeakPolarHBondContact O-CB 3.46Å; E967-S971 PolarHBondContact O-N 3.47Å; E967-R1055 IonicContact OE1-CZ 2.71Å; E967-R1055 IonicContact OE1-NE 2.9Å; E967-R1055 PolarHBondContact OE1-NE 3.11Å; E967-R1055 IonicContact OE1-NH2 3.63Å; E967-L1059 HydrophobicContact CG-CD2 4.4Å
968	S	84.3	Confident	82.3	Confident	32 Å²	32	43 Å²	43	22%	0.224	20%	0.201	C	C	.	.	H	α-helix	trans	-63.4	-39.4	176.1	-59.3	0	0	0	0	111.8	W964 K965 L966 F972	W964-S968 PolarHBondContact NE1-OG 3.32Å; W964-S968 VanDerWaalsContact O-CB 3.23Å; W964-S968 WeakPolarHBondContact O-CB 3.14Å; W964-S968 PolarHBondContact O-N 3.33Å; W964-S968 PolarHBondContact O-OG 2.97Å; K965-S968 PolarHBondContact O-N 2.91Å; L966-S968 VanDerWaalsContact C-N 3.31Å; L966-S968 PolarHBondContact O-N 2.88Å; S968-F972 VanDerWaalsContact O-CB 3.27Å; S968-F972 WeakPolarHBondContact O-CB 3.36Å; S968-F972 PolarHBondContact O-N 3.34Å
969	L	86.2	Confident	82.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-70.9	-38.8	177.6	-170.3	56.9	0	0	0	112.4	Y919 V920 M923 K965 L966 E967 F972 I973 M991 M994	Y919-L969 HydrophobicContact CD1-CD1 4.06Å; Y919-L969 HydrophobicContact CE1-CD1 3.7Å; V920-L969 HydrophobicContact CG2-CD1 4.16Å; M923-L969 HydrophobicContact CB-CD1 4.31Å; M923-L969 HydrophobicContact CB-CD2 3.94Å; M923-L969 HydrophobicContact CG-CD1 4.33Å; K965-L969 VanDerWaalsContact O-CB 3.28Å; K965-L969 WeakPolarHBondContact O-CB 3.49Å; K965-L969 PolarHBondContact O-N 3.28Å; L966-L969 PolarHBondContact O-N 3.31Å; E967-L969 VanDerWaalsContact C-N 3.33Å; E967-L969 PolarHBondContact O-N 2.83Å; L969-F972 HydrophobicContact CD1-CD1 4.1Å; L969-F972 WeakPolarHBondContact O-CB 3.49Å; L969-F972 PolarHBondContact O-N 3.02Å; L969-I973 HydrophobicContact CD1-CD1 4.49Å; L969-I973 HydrophobicContact CG-CD1 4.27Å; L969-I973 WeakPolarHBondContact O-CG1 3.46Å; L969-I973 PolarHBondContact O-N 2.98Å; L969-M991 HydrophobicContact CB-CE 4.24Å; L969-M991 HydrophobicContact CB-SD 3.91Å; L969-M991 HydrophobicContact CD2-SD 3.8Å; L969-M991 HydrophobicContact CG-SD 3.65Å; L969-M994 HydrophobicContact CD2-CE 3.22Å; L969-M994 HydrophobicContact CD2-SD 3.82Å; L969-M994 HydrophobicContact CG-CE 4.35Å
970	Q	83.8	Confident	83.5	Confident	79 Å²	79	48.9 Å²	48.9	37%	0.369	23%	0.231	S	C	.	.	H	α-helix	trans	-60.1	-48.7	172.1	-168.8	-177.7	37.3	0	0	110.9	L966 E967 F972 I973 F974 M991 L1059	L966-Q970 PolarHBondContact O-N 2.96Å; E967-Q970 PolarHBondContact O-N 3.16Å; Q970-F972 VanDerWaalsContact C-N 3.3Å; Q970-F972 PolarHBondContact O-N 3.12Å; Q970-I973 PolarHBondContact O-N 2.64Å; Q970-F974 WeakPolarHBondContact O-CB 3.22Å; Q970-F974 PolarHBondContact O-N 3.21Å; Q970-M991 HydrophobicContact CB-CE 4.02Å; Q970-M991 HydrophobicContact CB-CG 4.46Å; Q970-L1059 HydrophobicContact CB-CD2 4.42Å
971	S	84.7	Confident	84	Confident	56 Å²	56	54.4 Å²	54.4	39%	0.392	26%	0.256	S	S	.	.	H	α-helix	trans	-62.8	-38.1	177.3	179	0	0	0	0	111.8	E967 R975	E967-S971 WeakPolarHBondContact O-CB 3.46Å; E967-S971 PolarHBondContact O-N 3.47Å; S971-R975 WeakPolarHBondContact O-CB 3.46Å; S971-R975 VanDerWaalsContact O-CG 3.3Å; S971-R975 WeakPolarHBondContact O-CG 3.48Å; S971-R975 PolarHBondContact O-N 3.49Å; S971-R975 PolarHBondContact O-NE 2.98Å
972	F	88.5	Confident	84.4	Confident	9 Å²	9	58.4 Å²	58.4	4%	0.039	28%	0.275	C	S	.	.	H	α-helix	trans	-61	-54	174.7	170.5	-99.8	0	0	0	111.8	F883 V916 Y919 S968 L969 Q970 F974 R975 Q976	F883-F972 HydrophobicContact CB-CE2 4.29Å; F883-F972 HydrophobicContact CD1-CE2 4.25Å; F883-F972 HydrophobicContact CD1-CZ 4.21Å; F883-F972 HydrophobicContact CD2-CD2 4.48Å; F883-F972 AromaticContact CD2-CE2 3.39Å; F883-F972 HydrophobicContact CD2-CE2 3.39Å; F883-F972 AromaticContact CD2-CZ 3.8Å; F883-F972 HydrophobicContact CD2-CZ 3.8Å; F883-F972 HydrophobicContact CE1-CE2 4.45Å; F883-F972 HydrophobicContact CE1-CZ 4.01Å; F883-F972 AromaticContact CE2-CE2 3.6Å; F883-F972 HydrophobicContact CE2-CE2 3.6Å; F883-F972 AromaticContact CE2-CZ 3.54Å; F883-F972 HydrophobicContact CE2-CZ 3.54Å; F883-F972 AromaticContact CG-CE2 3.75Å; F883-F972 HydrophobicContact CG-CE2 3.75Å; F883-F972 HydrophobicContact CG-CZ 4.14Å; F883-F972 HydrophobicContact CZ-CE2 4.16Å; F883-F972 AromaticContact CZ-CZ 3.66Å; F883-F972 HydrophobicContact CZ-CZ 3.66Å; V916-F972 HydrophobicContact CG1-CE1 4.21Å; V916-F972 HydrophobicContact CG2-CZ 4.33Å; Y919-F972 AromaticContact CD1-CD1 3.62Å; Y919-F972 HydrophobicContact CD1-CD1 3.62Å; Y919-F972 HydrophobicContact CD1-CD2 4.5Å; Y919-F972 AromaticContact CD1-CE1 3.35Å; Y919-F972 HydrophobicContact CD1-CE1 3.35Å; Y919-F972 HydrophobicContact CD1-CE2 4.28Å; Y919-F972 HydrophobicContact CD1-CG 4.19Å; Y919-F972 AromaticContact CD1-CZ 3.72Å; Y919-F972 HydrophobicContact CD1-CZ 3.72Å; Y919-F972 HydrophobicContact CE1-CB 4.35Å; Y919-F972 AromaticContact CE1-CD1 3.53Å; Y919-F972 HydrophobicContact CE1-CD1 3.53Å; Y919-F972 HydrophobicContact CE1-CD2 4.06Å; Y919-F972 AromaticContact CE1-CE1 3.76Å; Y919-F972 HydrophobicContact CE1-CE1 3.76Å; Y919-F972 HydrophobicContact CE1-CE2 4.26Å; Y919-F972 AromaticContact CE1-CG 3.69Å; Y919-F972 HydrophobicContact CE1-CG 3.69Å; Y919-F972 HydrophobicContact CE1-CZ 4.11Å; Y919-F972 HydrophobicContact CG-CE1 4.38Å; Y919-F972 HydrophobicContact CG-CZ 4.44Å; S968-F972 VanDerWaalsContact O-CB 3.27Å; S968-F972 WeakPolarHBondContact O-CB 3.36Å; S968-F972 PolarHBondContact O-N 3.34Å; L969-F972 HydrophobicContact CD1-CD1 4.1Å; L969-F972 WeakPolarHBondContact O-CB 3.49Å; L969-F972 PolarHBondContact O-N 3.02Å; Q970-F972 VanDerWaalsContact C-N 3.3Å; Q970-F972 PolarHBondContact O-N 3.12Å; F972-F974 VanDerWaalsContact C-N 3.29Å; F972-F974 PolarHBondContact O-N 3.36Å; F972-R975 PolarHBondContact O-N 2.8Å; F972-R975 VanDerWaalsContact O-N 3.14Å; F972-Q976 HydrophobicContact CD1-CG 4.39Å; F972-Q976 HydrophobicContact CD2-CG 4.46Å; F972-Q976 HydrophobicContact CE1-CG 3.95Å; F972-Q976 HydrophobicContact CE2-CG 4.03Å; F972-Q976 HydrophobicContact CZ-CG 3.76Å; F972-Q976 WeakPolarHBondContact O-CG 3.33Å; F972-Q976 PolarHBondContact O-N 2.8Å; F972-Q976 PolarHBondContact O-NE2 3.3Å
973	I	86.9	Confident	84.9	Confident	15 Å²	15	60.1 Å²	60.1	8%	0.077	28%	0.283	C	S	.	.	H	α-helix	trans	-59	-42.7	-179.7	-69.8	167.9	0	0	0	110.8	V920 L969 Q970 Q976 L987 M991	V920-I973 HydrophobicContact CG2-CD1 4.48Å; L969-I973 HydrophobicContact CD1-CD1 4.49Å; L969-I973 HydrophobicContact CG-CD1 4.27Å; L969-I973 WeakPolarHBondContact O-CG1 3.46Å; L969-I973 PolarHBondContact O-N 2.98Å; Q970-I973 PolarHBondContact O-N 2.64Å; I973-Q976 PolarHBondContact O-N 2.9Å; I973-L987 HydrophobicContact CG2-CB 3.9Å; I973-M991 HydrophobicContact CD1-CB 3.62Å; I973-M991 HydrophobicContact CD1-CG 3.99Å; I973-M991 HydrophobicContact CD1-SD 4.18Å
974	F	84.4	Confident	85.4	Confident	175 Å²	175	61.4 Å²	61.4	77%	0.768	29%	0.292	S	S	*	.	H	α-helix	trans	-62.4	-44.6	176.6	-179.4	-99.8	0	0	0	112.3	Q970 F972 Q976 N977	Q970-F974 WeakPolarHBondContact O-CB 3.22Å; Q970-F974 PolarHBondContact O-N 3.21Å; F972-F974 VanDerWaalsContact C-N 3.29Å; F972-F974 PolarHBondContact O-N 3.36Å; F974-Q976 VanDerWaalsContact C-N 3.28Å; F974-Q976 PolarHBondContact O-N 2.85Å; F974-N977 PolarHBondContact O-N 3.18Å
975	R	84.6	Confident	85.6	Confident	128 Å²	128	62 Å²	62	48%	0.483	29%	0.294	S	S	.	.	H	α-helix	trans	-65.5	-28.3	178	-79	-175.1	-69.4	168.9	1.3	113.6	S971 F972 N977	S971-R975 WeakPolarHBondContact O-CB 3.46Å; S971-R975 VanDerWaalsContact O-CG 3.3Å; S971-R975 WeakPolarHBondContact O-CG 3.48Å; S971-R975 PolarHBondContact O-N 3.49Å; S971-R975 PolarHBondContact O-NE 2.98Å; F972-R975 PolarHBondContact O-N 2.8Å; F972-R975 VanDerWaalsContact O-N 3.14Å; R975-N977 PolarHBondContact O-N 2.97Å
976	Q	83.2	Confident	85.9	Confident	1 Å²	1	65 Å²	65	1%	0.005	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.8	176.5	-64.1	-38.5	-75.7	0	0	112.5	F886 E887 N890 V916 F972 I973 F974 W978	F886-Q976 HydrophobicContact CE1-CB 4.2Å; F886-Q976 WeakPolarHBondContact CE1-O 3.3Å; E887-Q976 PolarHBondContact OE1-NE2 3.33Å; N890-Q976 PolarHBondContact ND2-O 3.13Å; V916-Q976 HydrophobicContact CG2-CG 4.5Å; F972-Q976 HydrophobicContact CD1-CG 4.39Å; F972-Q976 HydrophobicContact CD2-CG 4.46Å; F972-Q976 HydrophobicContact CE1-CG 3.95Å; F972-Q976 HydrophobicContact CE2-CG 4.03Å; F972-Q976 HydrophobicContact CZ-CG 3.76Å; F972-Q976 WeakPolarHBondContact O-CG 3.33Å; F972-Q976 PolarHBondContact O-N 2.8Å; F972-Q976 PolarHBondContact O-NE2 3.3Å; I973-Q976 PolarHBondContact O-N 2.9Å; F974-Q976 VanDerWaalsContact C-N 3.28Å; F974-Q976 PolarHBondContact O-N 2.85Å; Q976-W978 VanDerWaalsContact C-N 3.26Å; Q976-W978 PolarHBondContact O-N 3Å; Q976-W978 VanDerWaalsContact O-N 3.15Å
977	N	84.3	Confident	86.1	Confident	77 Å²	77	65.1 Å²	65.1	41%	0.412	31%	0.308	S	S	.	.			trans	47.3	47.8	173.2	-170.9	23.2	0	0	0	112.7	N890 D891 F974 R975 P979	N890-N977 PolarHBondContact ND2-O 3.38Å; D891-N977 PolarHBondContact OD1-ND2 2.98Å; F974-N977 PolarHBondContact O-N 3.18Å; R975-N977 PolarHBondContact O-N 2.97Å; N977-P979 WeakPolarHBondContact O-CD 3.38Å
978	W	90.5	Very high	86.3	Confident	14 Å²	14	65.6 Å²	65.6	5%	0.053	31%	0.311	C	S	.	.			trans	-66.9	123.1	-168.9	-155.1	-83.5	0	0	0	111	F886 L909 F912 A913 V916 Q976 E980 F983	F886-W978 HydrophobicContact CE1-CE3 4.06Å; F886-W978 AromaticContact CE1-CZ3 3.93Å; F886-W978 HydrophobicContact CE1-CZ3 3.93Å; F886-W978 HydrophobicContact CE2-CH2 4.4Å; F886-W978 HydrophobicContact CE2-CZ3 4.12Å; F886-W978 AromaticContact CZ-CE3 3.7Å; F886-W978 HydrophobicContact CZ-CE3 3.7Å; F886-W978 HydrophobicContact CZ-CH2 4.14Å; F886-W978 AromaticContact CZ-CZ3 3.47Å; F886-W978 HydrophobicContact CZ-CZ3 3.47Å; F886-W978 VanDerWaalsContact CZ-CZ3 3.47Å; L909-W978 HydrophobicContact CB-CZ2 3.92Å; L909-W978 HydrophobicContact CD2-CD2 4.15Å; L909-W978 HydrophobicContact CD2-CH2 4.17Å; L909-W978 HydrophobicContact CD2-CZ2 3.74Å; L909-W978 HydrophobicContact CG-CZ2 4.43Å; F912-W978 HydrophobicContact CB-CH2 4.38Å; A913-W978 VanDerWaalsContact CA-CH2 3.48Å; A913-W978 HydrophobicContact CB-CH2 3.81Å; A913-W978 HydrophobicContact CB-CZ2 3.76Å; V916-W978 HydrophobicContact CB-CZ3 4.45Å; V916-W978 HydrophobicContact CG2-CZ3 3.85Å; Q976-W978 VanDerWaalsContact C-N 3.26Å; Q976-W978 PolarHBondContact O-N 3Å; Q976-W978 VanDerWaalsContact O-N 3.15Å; W978-E980 PolarHBondContact NE1-OE2 3.12Å; W978-F983 HydrophobicContact CB-CD1 4.48Å; W978-F983 AromaticContact CD1-CD1 3.45Å; W978-F983 VanDerWaalsContact CD1-CD1 3.45Å; W978-F983 AromaticContact CD2-CD1 3.43Å; W978-F983 HydrophobicContact CD2-CD1 3.43Å; W978-F983 VanDerWaalsContact CD2-CD1 3.43Å; W978-F983 AromaticContact CD2-CE1 3.57Å; W978-F983 HydrophobicContact CD2-CE1 3.57Å; W978-F983 AromaticContact CE2-CD1 3.27Å; W978-F983 AromaticContact CE2-CE1 3.49Å; W978-F983 VanDerWaalsContact CE2-CE1 3.49Å; W978-F983 HydrophobicContact CE3-CD1 4.15Å; W978-F983 AromaticContact CE3-CE1 3.82Å; W978-F983 HydrophobicContact CE3-CE1 3.82Å; W978-F983 AromaticContact CG-CD1 3.56Å; W978-F983 HydrophobicContact CG-CD1 3.56Å; W978-F983 HydrophobicContact CG-CE1 4.16Å; W978-F983 AromaticContact CH2-CE1 3.99Å; W978-F983 HydrophobicContact CH2-CE1 3.99Å; W978-F983 AromaticContact CZ2-CD1 3.91Å; W978-F983 HydrophobicContact CZ2-CD1 3.91Å; W978-F983 AromaticContact CZ2-CE1 3.71Å; W978-F983 HydrophobicContact CZ2-CE1 3.71Å; W978-F983 HydrophobicContact CZ2-CZ 4.5Å; W978-F983 HydrophobicContact CZ3-CE1 4.03Å; W978-F983 AromaticContact NE1-CD1 3.26Å; W978-F983 VanDerWaalsContact NE1-CD1 3.26Å; W978-F983 AromaticContact NE1-CE1 3.99Å; W978-F983 AromaticContact NE1-CG 3.85Å
979	P	87.4	Confident	86.2	Confident	38 Å²	38	67.8 Å²	67.8	25%	0.247	32%	0.32	C	S	.	.	S	Bend	trans	-75.2	-29	-171.2	28.4	-36.4	0	0	0	113.8	L909 N977 E981	L909-P979 HydrophobicContact CD1-CG 3.61Å; L909-P979 HydrophobicContact CD2-CG 3.75Å; L909-P979 HydrophobicContact CG-CG 4.31Å; N977-P979 WeakPolarHBondContact O-CD 3.38Å; P979-E981 PolarHBondContact O-N 3.1Å
980	E	89.3	Confident	86.1	Confident	100 Å²	100	69.5 Å²	69.5	47%	0.467	33%	0.327	S	S	.	.			trans	-77.7	112.1	179.5	-63.2	172.4	158.6	0	0	110.1	L909 W978 E982 F983 S984	L909-E980 HydrophobicContact CD1-CG 4.32Å; W978-E980 PolarHBondContact NE1-OE2 3.12Å; E980-E982 VanDerWaalsContact C-N 3.31Å; E980-E982 PolarHBondContact O-N 3.21Å; E980-F983 HydrophobicContact CB-CB 4.39Å; E980-F983 PolarHBondContact O-N 3.47Å; E980-S984 WeakPolarHBondContact O-CB 3.31Å; E980-S984 PolarHBondContact O-N 2.85Å
981	E	85.6	Confident	86	Confident	127 Å²	127	66.1 Å²	66.1	59%	0.593	31%	0.311	S	S	*	.	H	α-helix	trans	-60.4	-38.4	-171	-161.1	-176.1	176	0	0	112.9	P979 R985	P979-E981 PolarHBondContact O-N 3.1Å; E981-R985 HydrophobicContact CG-CG 4.4Å; E981-R985 VanDerWaalsContact O-CB 3.3Å; E981-R985 WeakPolarHBondContact O-CB 3.5Å; E981-R985 VanDerWaalsContact O-CG 3.24Å; E981-R985 WeakPolarHBondContact O-CG 3.48Å; E981-R985 PolarHBondContact O-N 3.47Å; E981-R985 IonicContact OE1-CZ 2.72Å; E981-R985 VanDerWaalsContact OE1-CZ 3.27Å; E981-R985 IonicContact OE1-NE 3.45Å; E981-R985 PolarHBondContact OE1-NE 3.05Å; E981-R985 VanDerWaalsContact OE1-NE 3.15Å; E981-R985 IonicContact OE1-NH2 3.31Å; E981-R985 PolarHBondContact OE1-NH2 3.47Å; E981-R985 IonicContact OE2-CZ 2.61Å; E981-R985 IonicContact OE2-NH2 2.7Å; E981-R985 PolarHBondContact OE2-NH2 3.39Å
982	E	87.2	Confident	85.7	Confident	168 Å²	168	65.4 Å²	65.4	79%	0.785	30%	0.3	S	S	*	.	H	α-helix	trans	-62.7	-47	178.8	-174.3	176.9	179.1	0	0	111.9	E980 H986	E980-E982 VanDerWaalsContact C-N 3.31Å; E980-E982 PolarHBondContact O-N 3.21Å; E982-H986 WeakPolarHBondContact O-CB 3.2Å; E982-H986 PolarHBondContact O-N 2.87Å
983	F	89	Confident	85	Confident	38 Å²	38	71.3 Å²	71.3	17%	0.167	32%	0.323	C	S	.	.	H	α-helix	trans	-71.7	-39.8	179.1	-172	-102.5	0	0	0	111.8	A913 V916 V917 W978 E980 R985 H986 L987	A913-F983 HydrophobicContact CB-CZ 4.22Å; V916-F983 HydrophobicContact CG1-CE1 4.49Å; V917-F983 HydrophobicContact CG2-CE2 3.79Å; V917-F983 HydrophobicContact CG2-CZ 3.79Å; W978-F983 HydrophobicContact CB-CD1 4.48Å; W978-F983 AromaticContact CD1-CD1 3.45Å; W978-F983 VanDerWaalsContact CD1-CD1 3.45Å; W978-F983 AromaticContact CD2-CD1 3.43Å; W978-F983 HydrophobicContact CD2-CD1 3.43Å; W978-F983 VanDerWaalsContact CD2-CD1 3.43Å; W978-F983 AromaticContact CD2-CE1 3.57Å; W978-F983 HydrophobicContact CD2-CE1 3.57Å; W978-F983 AromaticContact CE2-CD1 3.27Å; W978-F983 AromaticContact CE2-CE1 3.49Å; W978-F983 VanDerWaalsContact CE2-CE1 3.49Å; W978-F983 HydrophobicContact CE3-CD1 4.15Å; W978-F983 AromaticContact CE3-CE1 3.82Å; W978-F983 HydrophobicContact CE3-CE1 3.82Å; W978-F983 AromaticContact CG-CD1 3.56Å; W978-F983 HydrophobicContact CG-CD1 3.56Å; W978-F983 HydrophobicContact CG-CE1 4.16Å; W978-F983 AromaticContact CH2-CE1 3.99Å; W978-F983 HydrophobicContact CH2-CE1 3.99Å; W978-F983 AromaticContact CZ2-CD1 3.91Å; W978-F983 HydrophobicContact CZ2-CD1 3.91Å; W978-F983 AromaticContact CZ2-CE1 3.71Å; W978-F983 HydrophobicContact CZ2-CE1 3.71Å; W978-F983 HydrophobicContact CZ2-CZ 4.5Å; W978-F983 HydrophobicContact CZ3-CE1 4.03Å; W978-F983 AromaticContact NE1-CD1 3.26Å; W978-F983 VanDerWaalsContact NE1-CD1 3.26Å; W978-F983 AromaticContact NE1-CE1 3.99Å; W978-F983 AromaticContact NE1-CG 3.85Å; E980-F983 HydrophobicContact CB-CB 4.39Å; E980-F983 PolarHBondContact O-N 3.47Å; F983-R985 PolarHBondContact O-N 3.4Å; F983-H986 WeakPolarHBondContact O-CB 3.43Å; F983-H986 PolarHBondContact O-N 2.99Å; F983-L987 HydrophobicContact CD1-CD1 3.83Å; F983-L987 HydrophobicContact CD1-CG 4.14Å; F983-L987 HydrophobicContact CE1-CD1 3.47Å; F983-L987 VanDerWaalsContact CE1-CD1 3.47Å; F983-L987 HydrophobicContact CE1-CD2 4.32Å; F983-L987 HydrophobicContact CE1-CG 3.92Å; F983-L987 HydrophobicContact CZ-CD1 4.13Å; F983-L987 HydrophobicContact CZ-CD2 4.15Å; F983-L987 HydrophobicContact CZ-CG 4.21Å; F983-L987 WeakPolarHBondContact O-CG 3.35Å; F983-L987 PolarHBondContact O-N 3.24Å
984	S	87.2	Confident	84.4	Confident	29 Å²	29	70.7 Å²	70.7	20%	0.203	32%	0.32	C	S	.	.	H	α-helix	trans	-58.8	-48.6	173.8	-171.3	0	0	0	0	111.3	E980 H986 L987 E988	E980-S984 WeakPolarHBondContact O-CB 3.31Å; E980-S984 PolarHBondContact O-N 2.85Å; S984-H986 VanDerWaalsContact C-N 3.32Å; S984-H986 PolarHBondContact O-N 3.04Å; S984-L987 PolarHBondContact O-N 3.29Å; S984-E988 WeakPolarHBondContact O-CG 3.06Å; S984-E988 PolarHBondContact O-N 3.01Å
985	R	85.7	Confident	83.8	Confident	128 Å²	128	62.4 Å²	62.4	48%	0.483	28%	0.283	S	S	.	.	H	α-helix	trans	-61.7	-40.9	175	-73.1	-171.1	-141.5	143.9	-5	111.3	E981 F983 L987 E988 D989	E981-R985 HydrophobicContact CG-CG 4.4Å; E981-R985 VanDerWaalsContact O-CB 3.3Å; E981-R985 WeakPolarHBondContact O-CB 3.5Å; E981-R985 VanDerWaalsContact O-CG 3.24Å; E981-R985 WeakPolarHBondContact O-CG 3.48Å; E981-R985 PolarHBondContact O-N 3.47Å; E981-R985 IonicContact OE1-CZ 2.72Å; E981-R985 VanDerWaalsContact OE1-CZ 3.27Å; E981-R985 IonicContact OE1-NE 3.45Å; E981-R985 PolarHBondContact OE1-NE 3.05Å; E981-R985 VanDerWaalsContact OE1-NE 3.15Å; E981-R985 IonicContact OE1-NH2 3.31Å; E981-R985 PolarHBondContact OE1-NH2 3.47Å; E981-R985 IonicContact OE2-CZ 2.61Å; E981-R985 IonicContact OE2-NH2 2.7Å; E981-R985 PolarHBondContact OE2-NH2 3.39Å; F983-R985 PolarHBondContact O-N 3.4Å; R985-L987 PolarHBondContact O-N 3.1Å; R985-E988 PolarHBondContact O-N 3.23Å; R985-D989 VanDerWaalsContact O-CB 3.25Å; R985-D989 WeakPolarHBondContact O-CB 3.37Å; R985-D989 VanDerWaalsContact O-CG 3.25Å; R985-D989 PolarHBondContact O-N 2.96Å
986	H	88.3	Confident	82.8	Confident	80 Å²	80	58 Å²	58	37%	0.37	27%	0.272	S	S	.	.	H	α-helix	trans	-58.3	-47.4	175.9	174.1	79.6	0	0	0	112	E982 F983 S984 R990	E982-H986 WeakPolarHBondContact O-CB 3.2Å; E982-H986 PolarHBondContact O-N 2.87Å; F983-H986 WeakPolarHBondContact O-CB 3.43Å; F983-H986 PolarHBondContact O-N 2.99Å; S984-H986 VanDerWaalsContact C-N 3.32Å; S984-H986 PolarHBondContact O-N 3.04Å; H986-R990 WeakPolarHBondContact O-CB 3.12Å; H986-R990 PolarHBondContact O-N 3.47Å
987	L	87.2	Confident	81.9	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-64.3	-44	177.3	-69.1	-179.6	0	0	0	111.7	V916 V920 I973 F983 S984 R985 R990 M991	V916-L987 HydrophobicContact CG1-CD1 3.76Å; V916-L987 HydrophobicContact CG1-CD2 4.1Å; V920-L987 HydrophobicContact CG2-CD2 4.36Å; I973-L987 HydrophobicContact CG2-CB 3.9Å; F983-L987 HydrophobicContact CD1-CD1 3.83Å; F983-L987 HydrophobicContact CD1-CG 4.14Å; F983-L987 HydrophobicContact CE1-CD1 3.47Å; F983-L987 VanDerWaalsContact CE1-CD1 3.47Å; F983-L987 HydrophobicContact CE1-CD2 4.32Å; F983-L987 HydrophobicContact CE1-CG 3.92Å; F983-L987 HydrophobicContact CZ-CD1 4.13Å; F983-L987 HydrophobicContact CZ-CD2 4.15Å; F983-L987 HydrophobicContact CZ-CG 4.21Å; F983-L987 WeakPolarHBondContact O-CG 3.35Å; F983-L987 PolarHBondContact O-N 3.24Å; S984-L987 PolarHBondContact O-N 3.29Å; R985-L987 PolarHBondContact O-N 3.1Å; L987-R990 PolarHBondContact O-N 3.04Å; L987-M991 WeakPolarHBondContact O-CB 3.45Å; L987-M991 PolarHBondContact O-N 3.48Å
988	E	84	Confident	81	Confident	82 Å²	82	58.2 Å²	58.2	38%	0.383	27%	0.273	S	S	.	.	H	α-helix	trans	-62.2	-47.4	176.1	-79.3	-170.8	-157.4	0	0	112.5	S984 R985 R990 M991 K992	S984-E988 WeakPolarHBondContact O-CG 3.06Å; S984-E988 PolarHBondContact O-N 3.01Å; R985-E988 PolarHBondContact O-N 3.23Å; E988-R990 VanDerWaalsContact C-N 3.28Å; E988-R990 PolarHBondContact O-N 3.48Å; E988-M991 WeakPolarHBondContact O-CB 3.47Å; E988-M991 PolarHBondContact O-N 3.23Å; E988-K992 WeakPolarHBondContact O-CB 3.38Å; E988-K992 WeakPolarHBondContact O-CD 3.41Å; E988-K992 VanDerWaalsContact O-CG 3.24Å; E988-K992 WeakPolarHBondContact O-CG 3.4Å; E988-K992 PolarHBondContact O-N 3.08Å; E988-K992 IonicContact OE2-NZ 3.08Å; E988-K992 PolarHBondContact OE2-NZ 3.47Å
989	D	83.2	Confident	79.7	Confident	78 Å²	78	57.8 Å²	57.8	42%	0.417	27%	0.272	S	S	.	.	H	α-helix	trans	-67.4	-34	179.7	-73.9	-16.2	0	0	0	111	R985 R993	R985-D989 VanDerWaalsContact O-CB 3.25Å; R985-D989 WeakPolarHBondContact O-CB 3.37Å; R985-D989 VanDerWaalsContact O-CG 3.25Å; R985-D989 PolarHBondContact O-N 2.96Å; D989-R993 WeakPolarHBondContact O-CB 3.37Å; D989-R993 VanDerWaalsContact O-CG 3.23Å; D989-R993 WeakPolarHBondContact O-CG 3.46Å; D989-R993 PolarHBondContact O-N 3.24Å; D989-R993 PolarHBondContact O-NE 3.01Å; D989-R993 VanDerWaalsContact O-NE 3.17Å
990	R	83.9	Confident	78.2	Confident	37 Å²	37	58.8 Å²	58.8	14%	0.14	28%	0.275	C	S	.	.	H	α-helix	trans	-67.1	-42.8	171.8	-174.1	172.2	-177.8	-176.1	0.9	111.3	V920 D921 E924 H986 L987 E988 R993 M994	V920-R990 HydrophobicContact CG1-CG 4.36Å; D921-R990 IonicContact OD1-CZ 3.68Å; D921-R990 IonicContact OD1-NH1 2.82Å; D921-R990 PolarHBondContact OD1-NH1 3.33Å; D921-R990 IonicContact OD1-NH2 3.72Å; D921-R990 PolarHBondContact OD1-NH2 3.1Å; E924-R990 IonicContact OE2-CZ 3.8Å; E924-R990 IonicContact OE2-NE 3.91Å; E924-R990 PolarHBondContact OE2-NE 3.14Å; E924-R990 IonicContact OE2-NH2 3.78Å; E924-R990 PolarHBondContact OE2-NH2 3.35Å; H986-R990 WeakPolarHBondContact O-CB 3.12Å; H986-R990 PolarHBondContact O-N 3.47Å; L987-R990 PolarHBondContact O-N 3.04Å; E988-R990 VanDerWaalsContact C-N 3.28Å; E988-R990 PolarHBondContact O-N 3.48Å; R990-R993 PolarHBondContact O-N 3.37Å; R990-M994 WeakPolarHBondContact O-CB 3.33Å; R990-M994 PolarHBondContact O-N 3.39Å
991	M	81.8	Confident	76.7	Confident	8 Å²	8	57.1 Å²	57.1	4%	0.039	27%	0.266	C	S	.	.	H	α-helix	trans	-63.8	-45.1	175	-176.6	58.6	-152.8	0	0	111.9	L966 L969 Q970 I973 L987 E988 M994 A995	L966-M991 HydrophobicContact CB-CE 4.09Å; L966-M991 HydrophobicContact CD2-CE 3.87Å; L966-M991 WeakPolarHBondContact O-CE 3.36Å; L969-M991 HydrophobicContact CB-CE 4.24Å; L969-M991 HydrophobicContact CB-SD 3.91Å; L969-M991 HydrophobicContact CD2-SD 3.8Å; L969-M991 HydrophobicContact CG-SD 3.65Å; Q970-M991 HydrophobicContact CB-CE 4.02Å; Q970-M991 HydrophobicContact CB-CG 4.46Å; I973-M991 HydrophobicContact CD1-CB 3.62Å; I973-M991 HydrophobicContact CD1-CG 3.99Å; I973-M991 HydrophobicContact CD1-SD 4.18Å; L987-M991 WeakPolarHBondContact O-CB 3.45Å; L987-M991 PolarHBondContact O-N 3.48Å; E988-M991 WeakPolarHBondContact O-CB 3.47Å; E988-M991 PolarHBondContact O-N 3.23Å; M991-M994 PolarHBondContact O-N 3.09Å; M991-M994 HydrophobicContact SD-CE 3.91Å; M991-A995 HydrophobicContact CE-CB 4.29Å; M991-A995 VanDerWaalsContact O-CB 3.23Å; M991-A995 WeakPolarHBondContact O-CB 3.39Å; M991-A995 PolarHBondContact O-N 3.39Å
992	K	76.5	Confident	75	Confident	40 Å²	40	51.7 Å²	51.7	17%	0.174	24%	0.242	C	C	.	.	H	α-helix	trans	-62.4	-43.7	176.3	-74.4	162.1	178.1	156.3	0	110.8	E988 S996 S1062 I1063	E988-K992 WeakPolarHBondContact O-CB 3.38Å; E988-K992 WeakPolarHBondContact O-CD 3.41Å; E988-K992 VanDerWaalsContact O-CG 3.24Å; E988-K992 WeakPolarHBondContact O-CG 3.4Å; E988-K992 PolarHBondContact O-N 3.08Å; E988-K992 IonicContact OE2-NZ 3.08Å; E988-K992 PolarHBondContact OE2-NZ 3.47Å; K992-S996 WeakPolarHBondContact O-CB 3.47Å; K992-S996 PolarHBondContact O-N 3.31Å; K992-S1062 WeakPolarHBondContact CE-OG 3.49Å; K992-S1062 PolarHBondContact NZ-OG 3.47Å; K992-I1063 HydrophobicContact CB-CD1 4.47Å
993	R	74.8	Confident	73.2	Confident	133 Å²	133	45.2 Å²	45.2	50%	0.502	22%	0.217	S	C	.	.	H	α-helix	trans	-65.2	-45.8	174.7	-80.2	-178.8	-68.9	178.6	-0.5	111.8	D989 R990 S996 D997	D989-R993 WeakPolarHBondContact O-CB 3.37Å; D989-R993 VanDerWaalsContact O-CG 3.23Å; D989-R993 WeakPolarHBondContact O-CG 3.46Å; D989-R993 PolarHBondContact O-N 3.24Å; D989-R993 PolarHBondContact O-NE 3.01Å; D989-R993 VanDerWaalsContact O-NE 3.17Å; R990-R993 PolarHBondContact O-N 3.37Å; R993-S996 CarbonylContact O-C 3.5Å; R993-S996 PolarHBondContact O-N 2.78Å; R993-D997 WeakPolarHBondContact O-CA 3.23Å; R993-D997 WeakPolarHBondContact O-CB 3.38Å; R993-D997 PolarHBondContact O-N 3.26Å
994	M	75.4	Confident	70.8	Confident	3 Å²	3	45 Å²	45	2%	0.015	22%	0.217	C	C	.	.	H	α-helix	trans	-64.3	-45.5	177.7	177.9	176	23.7	0	0	111.5	V920 E924 I927 L966 L969 R990 M991 S996 M998	V920-M994 HydrophobicContact CG1-CE 4.08Å; E924-M994 HydrophobicContact CB-SD 3.58Å; E924-M994 VanDerWaalsContact CB-SD 3.58Å; E924-M994 HydrophobicContact CG-CG 4.24Å; E924-M994 HydrophobicContact CG-SD 3.75Å; I927-M994 HydrophobicContact CD1-SD 4.28Å; L966-M994 HydrophobicContact CD2-CG 4.24Å; L969-M994 HydrophobicContact CD2-CE 3.22Å; L969-M994 HydrophobicContact CD2-SD 3.82Å; L969-M994 HydrophobicContact CG-CE 4.35Å; R990-M994 WeakPolarHBondContact O-CB 3.33Å; R990-M994 PolarHBondContact O-N 3.39Å; M991-M994 PolarHBondContact O-N 3.09Å; M991-M994 HydrophobicContact SD-CE 3.91Å; M994-S996 PolarHBondContact O-N 2.99Å; M994-M998 HydrophobicContact CG-CE 3.64Å; M994-M998 HydrophobicContact CG-CG 4.16Å; M994-M998 HydrophobicContact CG-SD 3.24Å; M994-M998 WeakPolarHBondContact CG-SD 3.36Å; M994-M998 WeakPolarHBondContact O-CA 3.34Å; M994-M998 WeakPolarHBondContact O-CB 3.46Å; M994-M998 WeakPolarHBondContact O-CG 2.99Å; M994-M998 PolarHBondContact O-N 3.07Å; M994-M998 HydrophobicContact SD-CE 4.06Å; M994-M998 HydrophobicContact SD-SD 4.05Å
995	A	70.5	Confident	68.2	Low	1 Å²	1	48.8 Å²	48.8	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-61.2	-45.7	173.7	0	0	0	0	0	111.1	L966 M991 I999 L1059 V1060	L966-A995 HydrophobicContact CD2-CB 4.27Å; M991-A995 HydrophobicContact CE-CB 4.29Å; M991-A995 VanDerWaalsContact O-CB 3.23Å; M991-A995 WeakPolarHBondContact O-CB 3.39Å; M991-A995 PolarHBondContact O-N 3.39Å; A995-I999 VanDerWaalsContact O-CB 3.24Å; A995-I999 WeakPolarHBondContact O-CB 3.5Å; A995-I999 VanDerWaalsContact O-CD1 3.26Å; A995-I999 WeakPolarHBondContact O-CD1 3.39Å; A995-I999 WeakPolarHBondContact O-CG1 2.95Å; A995-I999 PolarHBondContact O-N 3.4Å; A995-L1059 HydrophobicContact CB-CB 4.07Å; A995-L1059 HydrophobicContact CB-CD1 4.43Å; A995-V1060 HydrophobicContact CB-CG2 4.38Å
996	S	64.9	Low	65.5	Low	35 Å²	35	46.8 Å²	46.8	25%	0.245	24%	0.237	C	C	.	.	H	α-helix	trans	-58.7	-63.1	174.1	-179.8	0	0	0	0	110.1	K992 R993 M994 M998 I999 L1000	K992-S996 WeakPolarHBondContact O-CB 3.47Å; K992-S996 PolarHBondContact O-N 3.31Å; R993-S996 CarbonylContact O-C 3.5Å; R993-S996 PolarHBondContact O-N 2.78Å; M994-S996 PolarHBondContact O-N 2.99Å; S996-M998 VanDerWaalsContact C-N 3.27Å; S996-M998 PolarHBondContact O-N 3.41Å; S996-I999 PolarHBondContact O-N 2.94Å; S996-L1000 WeakPolarHBondContact O-CA 3.44Å; S996-L1000 WeakPolarHBondContact O-CB 3.25Å; S996-L1000 PolarHBondContact O-N 3.3Å
997	D	64.2	Low	62.8	Low	79 Å²	79	53.7 Å²	53.7	42%	0.422	26%	0.259	S	S	.	.	H	α-helix	trans	-58.6	-30.3	-178.3	-71.7	-4.7	0	0	0	113.6	R993 L1000 K1001	R993-D997 WeakPolarHBondContact O-CA 3.23Å; R993-D997 WeakPolarHBondContact O-CB 3.38Å; R993-D997 PolarHBondContact O-N 3.26Å; D997-L1000 CarbonylContact O-C 3.29Å; D997-K1001 WeakPolarHBondContact O-CA 3.24Å; D997-K1001 WeakPolarHBondContact O-CB 3.45Å; D997-K1001 WeakPolarHBondContact O-CG 3.36Å; D997-K1001 PolarHBondContact O-N 2.86Å
998	M	65.4	Low	60.2	Low	4 Å²	4	62.2 Å²	62.2	2%	0.02	30%	0.299	C	S	.	.	H	α-helix	trans	-86.1	-41.6	179.5	-71.4	175.3	165.2	0	0	111.8	E924 I927 E928 I931 L966 M994 S996 L1000 K1001 C1002	E924-M998 HydrophobicContact CB-CE 4.43Å; E924-M998 HydrophobicContact CG-CE 3.79Å; E924-M998 WeakPolarHBondContact O-CE 3.3Å; I927-M998 HydrophobicContact CB-CE 3.57Å; I927-M998 HydrophobicContact CB-SD 3.55Å; I927-M998 VanDerWaalsContact CB-SD 3.55Å; I927-M998 HydrophobicContact CD1-CE 4.42Å; I927-M998 HydrophobicContact CD1-SD 3.85Å; I927-M998 HydrophobicContact CG1-SD 4.3Å; I927-M998 HydrophobicContact CG2-CB 4.42Å; I927-M998 HydrophobicContact CG2-CE 3.72Å; I927-M998 HydrophobicContact CG2-CG 4.11Å; I927-M998 HydrophobicContact CG2-SD 3.13Å; I927-M998 WeakPolarHBondContact CG2-SD 3.31Å; E928-M998 HydrophobicContact CB-CE 4.44Å; I931-M998 HydrophobicContact CD1-CB 3.92Å; I931-M998 HydrophobicContact CD1-CG 3.97Å; L966-M998 HydrophobicContact CD2-SD 4.06Å; M994-M998 HydrophobicContact CG-CE 3.64Å; M994-M998 HydrophobicContact CG-CG 4.16Å; M994-M998 HydrophobicContact CG-SD 3.24Å; M994-M998 WeakPolarHBondContact CG-SD 3.36Å; M994-M998 WeakPolarHBondContact O-CA 3.34Å; M994-M998 WeakPolarHBondContact O-CB 3.46Å; M994-M998 WeakPolarHBondContact O-CG 2.99Å; M994-M998 PolarHBondContact O-N 3.07Å; M994-M998 HydrophobicContact SD-CE 4.06Å; M994-M998 HydrophobicContact SD-SD 4.05Å; S996-M998 VanDerWaalsContact C-N 3.27Å; S996-M998 PolarHBondContact O-N 3.41Å; M998-L1000 PolarHBondContact O-N 3.38Å; M998-K1001 PolarHBondContact O-N 3.18Å; M998-C1002 WeakPolarHBondContact O-CB 3.3Å; M998-C1002 PolarHBondContact O-N 3.45Å; M998-C1002 PolarHBondContact O-SG 2.94Å; M998-C1002 VanDerWaalsContact O-SG 3.32Å
999	I	61.5	Low	57.4	Low	4 Å²	4	64.1 Å²	64.1	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-67.3	-32.7	171.2	-55.8	163.1	0	0	0	109.6	F963 L966 A995 S996 C1002 A1003 V1056 L1059	F963-I999 HydrophobicContact CE1-CG1 4.31Å; L966-I999 HydrophobicContact CD1-CG1 4.16Å; A995-I999 VanDerWaalsContact O-CB 3.24Å; A995-I999 WeakPolarHBondContact O-CB 3.5Å; A995-I999 VanDerWaalsContact O-CD1 3.26Å; A995-I999 WeakPolarHBondContact O-CD1 3.39Å; A995-I999 WeakPolarHBondContact O-CG1 2.95Å; A995-I999 PolarHBondContact O-N 3.4Å; S996-I999 PolarHBondContact O-N 2.94Å; I999-C1002 CarbonylContact O-C 3.57Å; I999-C1002 WeakPolarHBondContact O-CB 2.99Å; I999-C1002 PolarHBondContact O-N 3.43Å; I999-A1003 WeakPolarHBondContact O-CB 3.38Å; I999-A1003 PolarHBondContact O-N 2.66Å; I999-V1056 HydrophobicContact CB-CG2 3.68Å; I999-V1056 HydrophobicContact CD1-CB 4.29Å; I999-V1056 HydrophobicContact CD1-CG2 3.61Å; I999-V1056 HydrophobicContact CG1-CG2 4.22Å; I999-V1056 HydrophobicContact CG2-CG2 3.17Å; I999-L1059 HydrophobicContact CD1-CD1 3.77Å
1000	L	57	Low	54.9	Low	59 Å²	59	72.1 Å²	72.1	31%	0.309	35%	0.345	S	S	.	.	H	α-helix	trans	-70.7	-41.7	170.5	-154.4	72.6	0	0	0	110.7	S996 D997 M998 C1002 A1003 E1004	S996-L1000 WeakPolarHBondContact O-CA 3.44Å; S996-L1000 WeakPolarHBondContact O-CB 3.25Å; S996-L1000 PolarHBondContact O-N 3.3Å; D997-L1000 CarbonylContact O-C 3.29Å; M998-L1000 PolarHBondContact O-N 3.38Å; L1000-C1002 PolarHBondContact O-N 3.18Å; L1000-A1003 CarbonylContact O-C 3.58Å; L1000-A1003 WeakPolarHBondContact O-CA 3.36Å; L1000-A1003 PolarHBondContact O-N 3.27Å; L1000-E1004 CarbonylContact C-O 3.52Å; L1000-E1004 HydrophobicContact CD1-CB 3.74Å; L1000-E1004 HydrophobicContact CD1-CG 4.42Å; L1000-E1004 VanDerWaalsContact CD1-OE2 3.28Å; L1000-E1004 WeakPolarHBondContact CD1-OE2 3.33Å; L1000-E1004 HydrophobicContact CG-CB 3.8Å; L1000-E1004 HydrophobicContact CG-CG 4.34Å; L1000-E1004 CarbonylContact O-C 3.59Å; L1000-E1004 VanDerWaalsContact O-C 3.3Å; L1000-E1004 WeakPolarHBondContact O-CA 3.42Å; L1000-E1004 PolarHBondContact O-N 2.83Å
1001	K	56.7	Low	52.3	Low	65 Å²	65	77.7 Å²	77.7	28%	0.283	38%	0.376	S	S	.	.	H	α-helix	trans	-62.8	-31.7	172.4	-82.1	168.5	-178.4	-178.9	0	111.2	E928 I931 D997 M998	E928-K1001 IonicContact OE1-NZ 2.79Å; E928-K1001 PolarHBondContact OE1-NZ 2.96Å; I931-K1001 HydrophobicContact CD1-CB 4.38Å; I931-K1001 HydrophobicContact CG2-CB 4.38Å; D997-K1001 WeakPolarHBondContact O-CA 3.24Å; D997-K1001 WeakPolarHBondContact O-CB 3.45Å; D997-K1001 WeakPolarHBondContact O-CG 3.36Å; D997-K1001 PolarHBondContact O-N 2.86Å; M998-K1001 PolarHBondContact O-N 3.18Å
1002	C	51.3	Low	49.9	Very low	14 Å²	14	82.2 Å²	82.2	10%	0.095	41%	0.409	C	S	.	.	H	α-helix	trans	-70.4	-23.6	166	-70	0	0	0	0	113.5	M998 I999 L1000 L1016	M998-C1002 WeakPolarHBondContact O-CB 3.3Å; M998-C1002 PolarHBondContact O-N 3.45Å; M998-C1002 PolarHBondContact O-SG 2.94Å; M998-C1002 VanDerWaalsContact O-SG 3.32Å; I999-C1002 CarbonylContact O-C 3.57Å; I999-C1002 WeakPolarHBondContact O-CB 2.99Å; I999-C1002 PolarHBondContact O-N 3.43Å; L1000-C1002 PolarHBondContact O-N 3.18Å; C1002-L1016 WeakPolarHBondContact O-CD1 3.42Å
1003	A	48.5	Very low	47.9	Very low	32 Å²	32	85.1 Å²	85.1	26%	0.264	43%	0.425	S	S	.	.	H	α-helix	trans	-119.2	-19.5	-170.1	0	0	0	0	0	117.9	I999 L1000 L1016 R1075	I999-A1003 WeakPolarHBondContact O-CB 3.38Å; I999-A1003 PolarHBondContact O-N 2.66Å; L1000-A1003 CarbonylContact O-C 3.58Å; L1000-A1003 WeakPolarHBondContact O-CA 3.36Å; L1000-A1003 PolarHBondContact O-N 3.27Å; A1003-L1016 WeakPolarHBondContact O-CD2 3.44Å; A1003-R1075 VanDerWaalsContact O-CD 3.27Å; A1003-R1075 WeakPolarHBondContact O-CD 3.41Å
1004	E	38.2	Very low	45.8	Very low	34 Å²	34	83.5 Å²	83.5	16%	0.159	43%	0.426	C	S	.	.			trans	-168.2	122.4	-167.2	173.4	178.1	-144.8	0	0	111.6	L1000 L1071	L1000-E1004 CarbonylContact C-O 3.52Å; L1000-E1004 HydrophobicContact CD1-CB 3.74Å; L1000-E1004 HydrophobicContact CD1-CG 4.42Å; L1000-E1004 VanDerWaalsContact CD1-OE2 3.28Å; L1000-E1004 WeakPolarHBondContact CD1-OE2 3.33Å; L1000-E1004 HydrophobicContact CG-CB 3.8Å; L1000-E1004 HydrophobicContact CG-CG 4.34Å; L1000-E1004 CarbonylContact O-C 3.59Å; L1000-E1004 VanDerWaalsContact O-C 3.3Å; L1000-E1004 WeakPolarHBondContact O-CA 3.42Å; L1000-E1004 PolarHBondContact O-N 2.83Å; E1004-L1071 HydrophobicContact CB-CD2 3.89Å; E1004-L1071 HydrophobicContact CG-CD2 3.85Å; E1004-L1071 WeakPolarHBondContact OE1-CD1 3.46Å; E1004-L1071 VanDerWaalsContact OE1-CD2 3.29Å; E1004-L1071 WeakPolarHBondContact OE1-CD2 3.48Å; E1004-L1071 VanDerWaalsContact OE2-CD1 3.29Å; E1004-L1071 WeakPolarHBondContact OE2-CD1 3.42Å; E1004-L1071 WeakPolarHBondContact OE2-CD2 3.38Å
1005	N	33.5	Very low	44.2	Very low	107 Å²	107	84.7 Å²	84.7	57%	0.572	43%	0.433	S	S	*	.			trans	-157.8	95.1	139.6	-123.6	-29	0	0	0	111.3
1006	V	28.2	Very low	42.9	Very low	87 Å²	87	85.2 Å²	85.2	53%	0.527	44%	0.436	S	S	.	.			trans	-157.7	106.2	139.8	173.7	0	0	0	0	107.5	I1013	V1006-I1013 HydrophobicContact CG2-CG1 4.38Å
1007	R	32.5	Very low	41.9	Very low	224 Å²	224	85.4 Å²	85.4	85%	0.845	44%	0.437	S	S	*	.	S	Bend		-170.5	128.4	127.5	-133.4	175.9	178.7	144.3	-0.7	108.6
1008	Q	32.5	Very low	41	Very low	181 Å²	181	85.1 Å²	85.1	85%	0.846	43%	0.43	S	S	*	.	S	Bend	trans	89.9	35.6	176.6	-134.8	97.2	9.9	0	0	119.2
1009	C	25	Very low	40.5	Very low	121 Å²	121	85.2 Å²	85.2	82%	0.818	43%	0.431	S	S	*	.	S	Bend	trans	-144.2	129.2	139	-94.8	0	0	0	0	107.7	L1011	C1009-L1011 PolarHBondContact O-N 2.62Å
1010	R	30.5	Very low	40.3	Very low	247 Å²	247	86.5 Å²	86.5	93%	0.932	44%	0.437	S	S	*	.	S	Bend	trans	-61.5	121.4	175.3	-85	173	159.5	-178.2	-6.2	107.9
1011	L	28.6	Very low	40.4	Very low	154 Å²	154	86.4 Å²	86.4	81%	0.806	44%	0.442	S	S	*	.	S	Bend	trans	98.1	117.1	178.4	-82.9	72.9	0	0	0	117.7	C1009	C1009-L1011 PolarHBondContact O-N 2.62Å
1012	S	33.2	Very low	40.7	Very low	103 Å²	103	85 Å²	85	72%	0.72	44%	0.438	S	S	*	.			trans	64.4	118.7	152.8	28.3	0	0	0	0	119.4
1013	I	32.9	Very low	41.3	Very low	101 Å²	101	84.3 Å²	84.3	52%	0.518	43%	0.434	S	S	.	.				64.7	106.5	54.5	-57.8	173.8	0	0	0	113.1	V1006 C1017	V1006-I1013 HydrophobicContact CG2-CG1 4.38Å; I1013-C1017 HydrophobicContact CG2-CB 3.76Å
1014	L	32.1	Very low	42.1	Very low	99 Å²	99	86.8 Å²	86.8	52%	0.518	44%	0.44	S	S	.	.			trans	-158.5	-42.9	142.6	-133.3	74.8	0	0	0	119	C1017 R1018	L1014-C1017 CarbonylContact O-C 3.55Å; L1014-R1018 WeakPolarHBondContact O-CB 3.42Å; L1014-R1018 WeakPolarHBondContact O-CD 3.38Å; L1014-R1018 WeakPolarHBondContact O-CG 3.48Å; L1014-R1018 PolarHBondContact O-N 2.58Å
1015	T	40.1	Very low	43.4	Very low	28 Å²	28	89.2 Å²	89.2	17%	0.172	45%	0.451	C	S	.	.	S	Bend	trans	-106.1	-47.6	-159.1	-24.8	0	0	0	0	119.5	I931 F935 C1017 R1018 T1019	I931-T1015 HydrophobicContact CG2-CG2 4.02Å; I931-T1015 WeakPolarHBondContact O-CG2 3.05Å; F935-T1015 HydrophobicContact CB-CG2 4.38Å; T1015-C1017 PolarHBondContact O-N 2.77Å; T1015-R1018 VanDerWaalsContact C-N 3.29Å; T1015-R1018 CarbonylContact O-C 3.58Å; T1015-R1018 VanDerWaalsContact O-CA 3.29Å; T1015-R1018 WeakPolarHBondContact O-CA 3.36Å; T1015-R1018 VanDerWaalsContact O-CB 3.24Å; T1015-R1018 WeakPolarHBondContact O-CB 3.24Å; T1015-R1018 PolarHBondContact O-N 3.18Å; T1015-T1019 PolarHBondContact O-N 3.21Å
1016	L	43.2	Very low	45.1	Very low	11 Å²	11	89 Å²	89	6%	0.058	44%	0.442	C	S	.	.	H	α-helix	trans	-69.6	-24.9	158.4	-163.9	96	0	0	0	109.6	C1002 A1003 R1018 T1019 L1020 I1049	C1002-L1016 WeakPolarHBondContact O-CD1 3.42Å; A1003-L1016 WeakPolarHBondContact O-CD2 3.44Å; L1016-R1018 PolarHBondContact O-N 3.39Å; L1016-T1019 PolarHBondContact O-N 3.39Å; L1016-L1020 WeakPolarHBondContact O-CA 3.4Å; L1016-L1020 WeakPolarHBondContact O-CB 3.46Å; L1016-L1020 PolarHBondContact O-N 3.43Å; L1016-I1049 HydrophobicContact CD1-CG1 4.48Å
1017	C	43.9	Very low	47	Very low	39 Å²	39	85.5 Å²	85.5	26%	0.264	42%	0.421	S	S	.	.	H	α-helix	trans	-59.8	-24	160.2	-73	0	0	0	0	112	I1013 L1014 T1015 S1021	I1013-C1017 HydrophobicContact CG2-CB 3.76Å; L1014-C1017 CarbonylContact O-C 3.55Å; T1015-C1017 PolarHBondContact O-N 2.77Å; C1017-S1021 WeakPolarHBondContact O-CA 3.45Å; C1017-S1021 WeakPolarHBondContact O-CB 3.49Å; C1017-S1021 PolarHBondContact O-N 2.95Å
1018	R	46.9	Very low	48.7	Very low	73 Å²	73	79.3 Å²	79.3	28%	0.275	41%	0.412	S	S	.	.	H	α-helix	trans	-81.3	-48	171.7	-90.8	160	178.4	177.8	-1.9	111.6	E932 L1014 T1015 L1016 L1020 S1021 V1022	E932-R1018 PolarHBondContact O-NH1 3.37Å; L1014-R1018 WeakPolarHBondContact O-CB 3.42Å; L1014-R1018 WeakPolarHBondContact O-CD 3.38Å; L1014-R1018 WeakPolarHBondContact O-CG 3.48Å; L1014-R1018 PolarHBondContact O-N 2.58Å; T1015-R1018 VanDerWaalsContact C-N 3.29Å; T1015-R1018 CarbonylContact O-C 3.58Å; T1015-R1018 VanDerWaalsContact O-CA 3.29Å; T1015-R1018 WeakPolarHBondContact O-CA 3.36Å; T1015-R1018 VanDerWaalsContact O-CB 3.24Å; T1015-R1018 WeakPolarHBondContact O-CB 3.24Å; T1015-R1018 PolarHBondContact O-N 3.18Å; L1016-R1018 PolarHBondContact O-N 3.39Å; R1018-L1020 VanDerWaalsContact C-N 3.3Å; R1018-L1020 PolarHBondContact O-N 3.14Å; R1018-S1021 PolarHBondContact O-N 3.43Å; R1018-V1022 WeakPolarHBondContact O-CA 3.33Å; R1018-V1022 WeakPolarHBondContact O-CB 3.13Å; R1018-V1022 WeakPolarHBondContact O-CG2 3.34Å; R1018-V1022 PolarHBondContact O-N 3.46Å
1019	T	53.6	Low	50.4	Low	7 Å²	7	78.7 Å²	78.7	4%	0.043	40%	0.402	C	S	.	.	H	α-helix	trans	-60.6	-45.1	176.4	-48.7	0	0	0	0	110.5	W940 T1015 L1016 F1023 M1045 F1079	W940-T1019 HydrophobicContact CH2-CG2 3.63Å; W940-T1019 WeakPolarHBondContact CH2-OG1 3.41Å; W940-T1019 HydrophobicContact CZ2-CG2 4.4Å; W940-T1019 HydrophobicContact CZ3-CG2 4.03Å; T1015-T1019 PolarHBondContact O-N 3.21Å; L1016-T1019 PolarHBondContact O-N 3.39Å; T1019-F1023 WeakPolarHBondContact O-CB 3.48Å; T1019-F1023 PolarHBondContact O-N 3.16Å; T1019-M1045 HydrophobicContact CG2-CB 3.7Å; T1019-M1045 HydrophobicContact CG2-CG 3.75Å; T1019-M1045 HydrophobicContact CG2-SD 4.4Å; T1019-F1079 HydrophobicContact CG2-CZ 4.19Å
1020	L	58.4	Low	52.4	Low	30 Å²	30	73.8 Å²	73.8	16%	0.157	37%	0.37	C	S	.	.	H	α-helix	trans	-71.2	-40.2	175.1	-173.9	67.9	0	0	0	112.3	L1016 R1018 F1023 E1024 F1079 L1082	L1016-L1020 WeakPolarHBondContact O-CA 3.4Å; L1016-L1020 WeakPolarHBondContact O-CB 3.46Å; L1016-L1020 PolarHBondContact O-N 3.43Å; R1018-L1020 VanDerWaalsContact C-N 3.3Å; R1018-L1020 PolarHBondContact O-N 3.14Å; L1020-F1023 HydrophobicContact CD1-CD1 4.07Å; L1020-F1023 CarbonylContact O-C 3.56Å; L1020-F1023 PolarHBondContact O-N 3.08Å; L1020-E1024 HydrophobicContact CD1-CG 4.3Å; L1020-E1024 HydrophobicContact CG-CG 4.21Å; L1020-E1024 VanDerWaalsContact O-CB 3.22Å; L1020-E1024 WeakPolarHBondContact O-CB 3.43Å; L1020-E1024 VanDerWaalsContact O-CG 3.23Å; L1020-E1024 WeakPolarHBondContact O-CG 2.93Å; L1020-E1024 PolarHBondContact O-N 3.39Å; L1020-F1079 VanDerWaalsContact CA-CZ 3.5Å; L1020-F1079 HydrophobicContact CB-CE2 3.84Å; L1020-F1079 HydrophobicContact CB-CZ 3.72Å; L1020-F1079 HydrophobicContact CD1-CD1 4.29Å; L1020-F1079 HydrophobicContact CD1-CD2 3.72Å; L1020-F1079 HydrophobicContact CD1-CE1 4.03Å; L1020-F1079 HydrophobicContact CD1-CE2 3.41Å; L1020-F1079 VanDerWaalsContact CD1-CE2 3.41Å; L1020-F1079 HydrophobicContact CD1-CG 4.16Å; L1020-F1079 HydrophobicContact CD1-CZ 3.58Å; L1020-F1079 HydrophobicContact CG-CE2 4.14Å; L1020-F1079 HydrophobicContact CG-CZ 4.25Å; L1020-L1082 HydrophobicContact CD1-CD1 3.87Å
1021	S	58.9	Low	54.5	Low	58 Å²	58	70 Å²	70	41%	0.406	36%	0.36	S	S	.	.	H	α-helix	trans	-70.5	-34.4	176.3	175.2	0	0	0	0	111.6	C1017 R1018 Q1025	C1017-S1021 WeakPolarHBondContact O-CA 3.45Å; C1017-S1021 WeakPolarHBondContact O-CB 3.49Å; C1017-S1021 PolarHBondContact O-N 2.95Å; R1018-S1021 PolarHBondContact O-N 3.43Å; S1021-Q1025 WeakPolarHBondContact O-CA 3.31Å; S1021-Q1025 WeakPolarHBondContact O-CB 3.34Å; S1021-Q1025 PolarHBondContact O-N 3.1Å
1022	V	62.4	Low	56.9	Low	34 Å²	34	68.2 Å²	68.2	21%	0.206	34%	0.343	C	S	.	.	H	α-helix	trans	-66.5	-47.8	173.4	171.9	0	0	0	0	106.9	R1018 E1024 Q1025 W1026 M1045	R1018-V1022 WeakPolarHBondContact O-CA 3.33Å; R1018-V1022 WeakPolarHBondContact O-CB 3.13Å; R1018-V1022 WeakPolarHBondContact O-CG2 3.34Å; R1018-V1022 PolarHBondContact O-N 3.46Å; V1022-E1024 PolarHBondContact O-N 2.98Å; V1022-Q1025 CarbonylContact O-C 3.5Å; V1022-Q1025 PolarHBondContact O-N 3.07Å; V1022-W1026 WeakPolarHBondContact O-CB 3.25Å; V1022-W1026 PolarHBondContact O-N 2.85Å; V1022-M1045 HydrophobicContact CB-CE 4.41Å; V1022-M1045 HydrophobicContact CG1-CE 3.49Å; V1022-M1045 VanDerWaalsContact CG1-CE 3.49Å; V1022-M1045 HydrophobicContact CG1-SD 4.38Å
1023	F	64.3	Low	59.2	Low	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-59	-44.9	173.8	176.7	-95.2	0	0	0	113.1	T1019 L1020 W1026 L1027 V1042 M1045 F1079 L1082 L1083	T1019-F1023 WeakPolarHBondContact O-CB 3.48Å; T1019-F1023 PolarHBondContact O-N 3.16Å; L1020-F1023 HydrophobicContact CD1-CD1 4.07Å; L1020-F1023 CarbonylContact O-C 3.56Å; L1020-F1023 PolarHBondContact O-N 3.08Å; F1023-W1026 PolarHBondContact O-N 3.38Å; F1023-L1027 HydrophobicContact CD1-CD1 3.59Å; F1023-L1027 HydrophobicContact CD1-CG 4.4Å; F1023-L1027 HydrophobicContact CE1-CD1 3.15Å; F1023-L1027 HydrophobicContact CE1-CG 4.23Å; F1023-L1027 HydrophobicContact CE2-CD1 4.21Å; F1023-L1027 HydrophobicContact CG-CD1 4.3Å; F1023-L1027 HydrophobicContact CZ-CD1 3.5Å; F1023-L1027 HydrophobicContact CZ-CG 4.33Å; F1023-L1027 WeakPolarHBondContact O-CB 3.42Å; F1023-L1027 VanDerWaalsContact O-CG 3.28Å; F1023-L1027 WeakPolarHBondContact O-CG 3.41Å; F1023-L1027 PolarHBondContact O-N 3.21Å; F1023-V1042 HydrophobicContact CD2-CB 4.44Å; F1023-V1042 HydrophobicContact CD2-CG1 3.79Å; F1023-V1042 HydrophobicContact CD2-CG2 4.13Å; F1023-V1042 HydrophobicContact CE2-CB 4.5Å; F1023-V1042 HydrophobicContact CE2-CG1 3.43Å; F1023-V1042 VanDerWaalsContact CE2-CG1 3.43Å; F1023-V1042 HydrophobicContact CE2-CG2 4.45Å; F1023-M1045 HydrophobicContact CB-SD 4.07Å; F1023-F1079 HydrophobicContact CB-CD1 4.34Å; F1023-F1079 HydrophobicContact CB-CE1 3.56Å; F1023-F1079 HydrophobicContact CB-CZ 4.28Å; F1023-F1079 AromaticContact CD1-CD1 3.53Å; F1023-F1079 HydrophobicContact CD1-CD1 3.53Å; F1023-F1079 AromaticContact CD1-CE1 3.55Å; F1023-F1079 HydrophobicContact CD1-CE1 3.55Å; F1023-F1079 HydrophobicContact CD1-CG 4.44Å; F1023-F1079 HydrophobicContact CD1-CZ 4.47Å; F1023-F1079 AromaticContact CD2-CD1 3.72Å; F1023-F1079 HydrophobicContact CD2-CD1 3.72Å; F1023-F1079 AromaticContact CD2-CE1 3.68Å; F1023-F1079 HydrophobicContact CD2-CE1 3.68Å; F1023-F1079 HydrophobicContact CE1-CB 4.48Å; F1023-F1079 AromaticContact CE1-CD1 3.5Å; F1023-F1079 HydrophobicContact CE1-CD1 3.5Å; F1023-F1079 VanDerWaalsContact CE1-CD1 3.5Å; F1023-F1079 HydrophobicContact CE1-CE1 4.04Å; F1023-F1079 HydrophobicContact CE1-CG 4.2Å; F1023-F1079 AromaticContact CE2-CD1 3.72Å; F1023-F1079 HydrophobicContact CE2-CD1 3.72Å; F1023-F1079 HydrophobicContact CE2-CE1 4.18Å; F1023-F1079 AromaticContact CG-CD1 3.62Å; F1023-F1079 HydrophobicContact CG-CD1 3.62Å; F1023-F1079 AromaticContact CG-CE1 3.33Å; F1023-F1079 HydrophobicContact CG-CE1 3.33Å; F1023-F1079 HydrophobicContact CG-CZ 4.39Å; F1023-F1079 HydrophobicContact CZ-CB 4.47Å; F1023-F1079 AromaticContact CZ-CD1 3.61Å; F1023-F1079 HydrophobicContact CZ-CD1 3.61Å; F1023-F1079 HydrophobicContact CZ-CE1 4.34Å; F1023-F1079 HydrophobicContact CZ-CG 4.43Å; F1023-L1082 HydrophobicContact CD1-CD1 4.31Å; F1023-L1082 HydrophobicContact CE1-CB 3.76Å; F1023-L1082 HydrophobicContact CE1-CD1 4.03Å; F1023-L1082 HydrophobicContact CZ-CB 4.48Å; F1023-L1083 HydrophobicContact CZ-CB 4.15Å
1024	E	66.4	Low	61.6	Low	84 Å²	84	60.6 Å²	60.6	39%	0.393	30%	0.298	S	S	.	.	H	α-helix	trans	-68	-35.7	175	-77.1	176.3	173.7	0	0	111.7	L1020 V1022 L1027 S1028 L1082	L1020-E1024 HydrophobicContact CD1-CG 4.3Å; L1020-E1024 HydrophobicContact CG-CG 4.21Å; L1020-E1024 VanDerWaalsContact O-CB 3.22Å; L1020-E1024 WeakPolarHBondContact O-CB 3.43Å; L1020-E1024 VanDerWaalsContact O-CG 3.23Å; L1020-E1024 WeakPolarHBondContact O-CG 2.93Å; L1020-E1024 PolarHBondContact O-N 3.39Å; V1022-E1024 PolarHBondContact O-N 2.98Å; E1024-L1027 PolarHBondContact O-N 3.02Å; E1024-S1028 WeakPolarHBondContact O-CB 3.01Å; E1024-S1028 PolarHBondContact O-N 3.2Å; E1024-S1028 PolarHBondContact O-OG 3.38Å; E1024-L1082 HydrophobicContact CG-CD1 3.78Å
1025	Q	65.5	Low	63.8	Low	86 Å²	86	62.5 Å²	62.5	40%	0.402	31%	0.308	S	S	.	.	H	α-helix	trans	-69.8	-37.2	175	-174.6	175.7	49.9	0	0	110.6	S1021 V1022 S1028 R1029	S1021-Q1025 WeakPolarHBondContact O-CA 3.31Å; S1021-Q1025 WeakPolarHBondContact O-CB 3.34Å; S1021-Q1025 PolarHBondContact O-N 3.1Å; V1022-Q1025 CarbonylContact O-C 3.5Å; V1022-Q1025 PolarHBondContact O-N 3.07Å; Q1025-S1028 VanDerWaalsContact CA-OG 3.31Å; Q1025-S1028 WeakPolarHBondContact CA-OG 3.45Å; Q1025-S1028 PolarHBondContact O-OG 3.48Å; Q1025-S1028 VanDerWaalsContact O-OG 3.08Å; Q1025-R1029 WeakPolarHBondContact O-CB 3.41Å; Q1025-R1029 WeakPolarHBondContact O-CD 3.39Å; Q1025-R1029 WeakPolarHBondContact O-CG 3.34Å; Q1025-R1029 PolarHBondContact O-N 2.84Å; Q1025-R1029 VanDerWaalsContact O-N 3.17Å
1026	W	67.3	Low	65.8	Low	102 Å²	102	62.3 Å²	62.3	39%	0.386	31%	0.305	S	S	.	.	H	α-helix	trans	-67.3	-47	171.9	-89.7	97.2	0	0	0	111.1	V1022 F1023 R1029 A1030 P1039	V1022-W1026 WeakPolarHBondContact O-CB 3.25Å; V1022-W1026 PolarHBondContact O-N 2.85Å; F1023-W1026 PolarHBondContact O-N 3.38Å; W1026-R1029 PolarHBondContact O-N 3.29Å; W1026-A1030 PolarHBondContact O-N 3.48Å; W1026-P1039 HydrophobicContact CE3-CG 4.05Å; W1026-P1039 HydrophobicContact CZ3-CB 4.47Å; W1026-P1039 HydrophobicContact CZ3-CG 4.13Å
1027	L	68.5	Low	67.5	Low	13 Å²	13	66 Å²	66	7%	0.068	32%	0.323	C	S	.	.	H	α-helix	trans	-66	-37.5	177.4	-76	176.1	0	0	0	113	F1023 E1024 R1029 A1030 L1082 Q1086	F1023-L1027 HydrophobicContact CD1-CD1 3.59Å; F1023-L1027 HydrophobicContact CD1-CG 4.4Å; F1023-L1027 HydrophobicContact CE1-CD1 3.15Å; F1023-L1027 HydrophobicContact CE1-CG 4.23Å; F1023-L1027 HydrophobicContact CE2-CD1 4.21Å; F1023-L1027 HydrophobicContact CG-CD1 4.3Å; F1023-L1027 HydrophobicContact CZ-CD1 3.5Å; F1023-L1027 HydrophobicContact CZ-CG 4.33Å; F1023-L1027 WeakPolarHBondContact O-CB 3.42Å; F1023-L1027 VanDerWaalsContact O-CG 3.28Å; F1023-L1027 WeakPolarHBondContact O-CG 3.41Å; F1023-L1027 PolarHBondContact O-N 3.21Å; E1024-L1027 PolarHBondContact O-N 3.02Å; L1027-R1029 VanDerWaalsContact C-N 3.31Å; L1027-R1029 PolarHBondContact O-N 2.91Å; L1027-A1030 WeakPolarHBondContact O-CB 3.33Å; L1027-A1030 PolarHBondContact O-N 3.45Å; L1027-L1082 HydrophobicContact CD1-CB 3.77Å; L1027-Q1086 HydrophobicContact CD2-CB 3.69Å; L1027-Q1086 HydrophobicContact CD2-CG 3.66Å
1028	S	67.8	Low	69.2	Low	94 Å²	94	64.1 Å²	64.1	66%	0.657	31%	0.311	S	S	*	.	H	α-helix	trans	-71	-27	176.8	57.4	0	0	0	0	112.7	E1024 Q1025	E1024-S1028 WeakPolarHBondContact O-CB 3.01Å; E1024-S1028 PolarHBondContact O-N 3.2Å; E1024-S1028 PolarHBondContact O-OG 3.38Å; Q1025-S1028 VanDerWaalsContact CA-OG 3.31Å; Q1025-S1028 WeakPolarHBondContact CA-OG 3.45Å; Q1025-S1028 PolarHBondContact O-OG 3.48Å; Q1025-S1028 VanDerWaalsContact O-OG 3.08Å
1029	R	69.1	Low	70.7	Confident	168 Å²	168	61.8 Å²	61.8	63%	0.634	31%	0.305	S	S	*	.	H	α-helix	trans	-78.9	-23	169.9	-72.6	172.3	179.4	169.9	2.3	112.7	Q1025 W1026 L1027 K1031	Q1025-R1029 WeakPolarHBondContact O-CB 3.41Å; Q1025-R1029 WeakPolarHBondContact O-CD 3.39Å; Q1025-R1029 WeakPolarHBondContact O-CG 3.34Å; Q1025-R1029 PolarHBondContact O-N 2.84Å; Q1025-R1029 VanDerWaalsContact O-N 3.17Å; W1026-R1029 PolarHBondContact O-N 3.29Å; L1027-R1029 VanDerWaalsContact C-N 3.31Å; L1027-R1029 PolarHBondContact O-N 2.91Å; R1029-K1031 PolarHBondContact O-N 3.45Å
1030	A	67.9	Low	71.9	Confident	18 Å²	18	64 Å²	64	15%	0.149	32%	0.319	C	S	.	.	S	Bend	trans	-68.1	114.6	-179.7	0	0	0	0	0	110.7	W1026 L1027 R1032 Y1036 Q1086	W1026-A1030 PolarHBondContact O-N 3.48Å; L1027-A1030 WeakPolarHBondContact O-CB 3.33Å; L1027-A1030 PolarHBondContact O-N 3.45Å; A1030-R1032 PolarHBondContact O-N 3.35Å; A1030-Y1036 HydrophobicContact CB-CD2 3.77Å; A1030-Y1036 HydrophobicContact CB-CE2 3.3Å; A1030-Q1086 VanDerWaalsContact CB-NE2 3.29Å; A1030-Q1086 PolarHBondContact O-NE2 2.81Å
1031	K	74.2	Confident	72.8	Confident	169 Å²	169	65.3 Å²	65.3	74%	0.735	32%	0.324	S	S	*	.			trans	-67.7	133.1	172.1	-69.7	-178.2	-178.8	175.7	0	109.1	R1029 S1033	R1029-K1031 PolarHBondContact O-N 3.45Å; K1031-S1033 PolarHBondContact O-N 3.33Å
1032	R	78.3	Confident	73.6	Confident	115 Å²	115	62.6 Å²	62.6	43%	0.434	31%	0.305	S	S	.	.	S	Bend	trans	-73.6	66.7	171.5	-66.7	176.2	-179.8	-174.6	5.5	110.4	A1030 V1090 E1092 S1093	A1030-R1032 PolarHBondContact O-N 3.35Å; R1032-V1090 HydrophobicContact CB-CG2 4.48Å; R1032-E1092 IonicContact NH1-OE2 3.33Å; R1032-S1093 WeakPolarHBondContact O-CB 3.14Å; R1032-S1093 PolarHBondContact O-OG 3.41Å
1033	S	81.9	Confident	74.3	Confident	25 Å²	25	61 Å²	61	18%	0.175	30%	0.296	C	S	.	.	S	Bend	trans	-126.8	157.6	178.7	52.8	0	0	0	0	110.4	K1031 D1035 Y1036	K1031-S1033 PolarHBondContact O-N 3.33Å; S1033-D1035 PolarHBondContact O-N 3.46Å; S1033-D1035 VanDerWaalsContact O-N 3.16Å; S1033-Y1036 VanDerWaalsContact O-CB 3.22Å; S1033-Y1036 WeakPolarHBondContact O-CB 3.29Å; S1033-Y1036 PolarHBondContact O-N 2.98Å
1034	T	82.5	Confident	75	Confident	20 Å²	20	61 Å²	61	12%	0.123	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.9	177.3	49.8	0	0	0	0	113.6	Y1036 V1090 F1144	T1034-Y1036 PolarHBondContact O-N 3.19Å; T1034-V1090 HydrophobicContact CG2-CG1 4.25Å; T1034-F1144 WeakPolarHBondContact O-CB 3.38Å
1035	D	79.2	Confident	75.4	Confident	138 Å²	138	57 Å²	57	74%	0.738	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-2	174.4	-48.1	-44	0	0	0	112.9	S1033	S1033-D1035 PolarHBondContact O-N 3.46Å; S1033-D1035 VanDerWaalsContact O-N 3.16Å
1036	Y	81.1	Confident	75.7	Confident	24 Å²	24	53.3 Å²	53.3	9%	0.094	26%	0.26	C	S	.	.			trans	-70.1	133.9	177.8	179	-117.9	0	0	0	110.1	A1030 S1033 T1034 I1038 Q1086 L1087 F1144	A1030-Y1036 HydrophobicContact CB-CD2 3.77Å; A1030-Y1036 HydrophobicContact CB-CE2 3.3Å; S1033-Y1036 VanDerWaalsContact O-CB 3.22Å; S1033-Y1036 WeakPolarHBondContact O-CB 3.29Å; S1033-Y1036 PolarHBondContact O-N 2.98Å; T1034-Y1036 PolarHBondContact O-N 3.19Å; Y1036-I1038 HydrophobicContact CE1-CG1 4.37Å; Y1036-Q1086 HydrophobicContact CE1-CG 4.06Å; Y1036-L1087 HydrophobicContact CE1-CD2 4.34Å; Y1036-F1144 AromaticContact CD1-CE2 3.72Å; Y1036-F1144 HydrophobicContact CD1-CE2 3.72Å; Y1036-F1144 HydrophobicContact CD1-CZ 4.14Å; Y1036-F1144 HydrophobicContact CG-CE2 4.34Å; Y1036-F1144 WeakPolarHBondContact O-CD2 3.37Å; Y1036-F1144 WeakPolarHBondContact O-CE2 3.4Å
1037	I	78.8	Confident	76.1	Confident	88 Å²	88	48.5 Å²	48.5	45%	0.451	24%	0.242	S	C	.	.			trans	-125.7	135.2	171.5	-63.2	173.9	0	0	0	106.3	P1039 I1147 Q1151	I1037-P1039 WeakPolarHBondContact O-CD 3.49Å; I1037-P1039 VanDerWaalsContact O-N 3.16Å; I1037-I1147 HydrophobicContact CD1-CG2 4.26Å; I1037-I1147 HydrophobicContact CG1-CG2 4.13Å; I1037-I1147 HydrophobicContact CG2-CG2 3.89Å; I1037-Q1151 HydrophobicContact CG2-CG 4.38Å
1038	I	79.7	Confident	76.4	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.241	C	C	.	.			trans	-59	119.3	175.9	-60.9	177.6	0	0	0	108.4	Y1036 V1042 L1083 L1087 L1152	Y1036-I1038 HydrophobicContact CE1-CG1 4.37Å; I1038-V1042 HydrophobicContact CG2-CB 4.34Å; I1038-V1042 HydrophobicContact CG2-CG1 4.18Å; I1038-L1083 HydrophobicContact CD1-CD1 4.3Å; I1038-L1087 HydrophobicContact CD1-CD1 4.16Å; I1038-L1087 HydrophobicContact CD1-CD2 3.97Å; I1038-L1087 HydrophobicContact CG1-CD2 4.08Å; I1038-L1152 HydrophobicContact CD1-CD1 3.65Å; I1038-L1152 HydrophobicContact CD1-CD2 4.03Å; I1038-L1152 HydrophobicContact CD1-CG 3.66Å; I1038-L1152 HydrophobicContact CG2-CD2 4.44Å
1039	P	78.6	Confident	76.5	Confident	24 Å²	24	45 Å²	45	16%	0.156	22%	0.216	C	C	.	.			trans	-65.1	147.1	179.1	-21.4	33.5	0	0	0	112	W1026 I1037 E1041 V1042	W1026-P1039 HydrophobicContact CE3-CG 4.05Å; W1026-P1039 HydrophobicContact CZ3-CB 4.47Å; W1026-P1039 HydrophobicContact CZ3-CG 4.13Å; I1037-P1039 WeakPolarHBondContact O-CD 3.49Å; I1037-P1039 VanDerWaalsContact O-N 3.16Å; P1039-E1041 WeakPolarHBondContact CB-OE2 3.35Å; P1039-E1041 PolarHBondContact O-N 3.3Å; P1039-V1042 HydrophobicContact CB-CG2 4.23Å; P1039-V1042 HydrophobicContact CG-CG2 4.21Å; P1039-V1042 WeakPolarHBondContact O-CB 3.37Å; P1039-V1042 PolarHBondContact O-N 3.22Å; P1039-V1042 VanDerWaalsContact O-N 3.16Å
1040	T	78.6	Confident	76.6	Confident	55 Å²	55	37.2 Å²	37.2	34%	0.337	19%	0.187	S	C	.	.	H	α-helix	trans	-61.2	-33.9	178.3	53.3	0	0	0	0	112.8	V1042 C1043 V1044 L1155	T1040-V1042 VanDerWaalsContact C-N 3.26Å; T1040-V1042 PolarHBondContact O-N 2.96Å; T1040-C1043 WeakPolarHBondContact O-CB 3.36Å; T1040-C1043 PolarHBondContact O-N 3.46Å; T1040-C1043 VanDerWaalsContact O-N 3.08Å; T1040-V1044 PolarHBondContact O-N 3.35Å; T1040-L1155 HydrophobicContact CG2-CD1 3.72Å
1041	E	78.3	Confident	76.7	Confident	56 Å²	56	37 Å²	37	26%	0.262	18%	0.183	S	C	.	.	H	α-helix	trans	-62.5	-36	179.5	-62.2	85.7	160.1	0	0	110.7	W940 P1039 V1044 M1045	W940-E1041 HydrophobicContact CB-CB 3.79Å; W940-E1041 HydrophobicContact CB-CG 3.97Å; P1039-E1041 WeakPolarHBondContact CB-OE2 3.35Å; P1039-E1041 PolarHBondContact O-N 3.3Å; E1041-V1044 PolarHBondContact O-N 3.22Å; E1041-M1045 HydrophobicContact CB-CE 4.36Å; E1041-M1045 VanDerWaalsContact O-CG 3.23Å; E1041-M1045 WeakPolarHBondContact O-CG 3.37Å; E1041-M1045 PolarHBondContact O-N 3.38Å
1042	V	75.7	Confident	76.4	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-64.9	-42.2	175	165.8	0	0	0	0	110.6	F1023 I1038 P1039 T1040 V1044 M1045 V1046	F1023-V1042 HydrophobicContact CD2-CB 4.44Å; F1023-V1042 HydrophobicContact CD2-CG1 3.79Å; F1023-V1042 HydrophobicContact CD2-CG2 4.13Å; F1023-V1042 HydrophobicContact CE2-CB 4.5Å; F1023-V1042 HydrophobicContact CE2-CG1 3.43Å; F1023-V1042 VanDerWaalsContact CE2-CG1 3.43Å; F1023-V1042 HydrophobicContact CE2-CG2 4.45Å; I1038-V1042 HydrophobicContact CG2-CB 4.34Å; I1038-V1042 HydrophobicContact CG2-CG1 4.18Å; P1039-V1042 HydrophobicContact CB-CG2 4.23Å; P1039-V1042 HydrophobicContact CG-CG2 4.21Å; P1039-V1042 WeakPolarHBondContact O-CB 3.37Å; P1039-V1042 PolarHBondContact O-N 3.22Å; P1039-V1042 VanDerWaalsContact O-N 3.16Å; T1040-V1042 VanDerWaalsContact C-N 3.26Å; T1040-V1042 PolarHBondContact O-N 2.96Å; V1042-V1044 VanDerWaalsContact C-N 3.33Å; V1042-V1044 PolarHBondContact O-N 3.5Å; V1042-M1045 WeakPolarHBondContact O-CB 3.44Å; V1042-M1045 PolarHBondContact O-N 3.32Å; V1042-V1046 WeakPolarHBondContact O-CG2 3.5Å; V1042-V1046 PolarHBondContact O-N 3.45Å; V1042-V1046 VanDerWaalsContact O-N 3.08Å
1043	C	77.2	Confident	75.7	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.007	15%	0.146	C	C	.	.	H	α-helix	trans	-64.5	-39.4	176.7	-61	0	0	0	0	111.5	T1040 V1046 N1047 L1155 V1156	T1040-C1043 WeakPolarHBondContact O-CB 3.36Å; T1040-C1043 PolarHBondContact O-N 3.46Å; T1040-C1043 VanDerWaalsContact O-N 3.08Å; C1043-V1046 PolarHBondContact O-N 3.36Å; C1043-N1047 VanDerWaalsContact O-CG 3.28Å; C1043-N1047 PolarHBondContact O-N 2.73Å; C1043-N1047 PolarHBondContact O-ND2 3.02Å; C1043-L1155 HydrophobicContact CB-CB 3.43Å; C1043-L1155 VanDerWaalsContact CB-CB 3.43Å; C1043-L1155 HydrophobicContact CB-CD1 3.91Å; C1043-L1155 HydrophobicContact CB-CG 4.34Å; C1043-V1156 HydrophobicContact CB-CG2 4.18Å
1044	V	77.3	Confident	75	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.2	-45.3	173.9	177.4	0	0	0	0	111.3	W940 I942 C956 T1040 E1041 V1042 V1046 N1047 V1048	W940-V1044 HydrophobicContact CE3-CG1 4.23Å; W940-V1044 WeakPolarHBondContact O-CG2 3.5Å; I942-V1044 HydrophobicContact CB-CG2 4.27Å; I942-V1044 HydrophobicContact CD1-CG2 4.38Å; I942-V1044 HydrophobicContact CG1-CG2 3.29Å; C956-V1044 HydrophobicContact CB-CG1 3.86Å; T1040-V1044 PolarHBondContact O-N 3.35Å; E1041-V1044 PolarHBondContact O-N 3.22Å; V1042-V1044 VanDerWaalsContact C-N 3.33Å; V1042-V1044 PolarHBondContact O-N 3.5Å; V1044-V1046 VanDerWaalsContact C-N 3.27Å; V1044-V1046 PolarHBondContact O-N 3.05Å; V1044-N1047 WeakPolarHBondContact O-CB 3.42Å; V1044-N1047 PolarHBondContact O-N 3.45Å; V1044-N1047 VanDerWaalsContact O-N 3.13Å; V1044-V1048 WeakPolarHBondContact O-CG2 3.33Å; V1044-V1048 PolarHBondContact O-N 2.96Å
1045	M	75.3	Confident	74.3	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.1	-40.9	176.7	-68.9	169	-165.1	0	0	112.1	W940 T1019 V1022 F1023 E1041 V1042 V1048 I1049	W940-M1045 HydrophobicContact CB-CE 4.25Å; W940-M1045 HydrophobicContact CD2-CE 3.51Å; W940-M1045 HydrophobicContact CD2-CG 3.76Å; W940-M1045 HydrophobicContact CE3-CB 4.33Å; W940-M1045 HydrophobicContact CE3-CE 4.12Å; W940-M1045 HydrophobicContact CE3-CG 3.34Å; W940-M1045 HydrophobicContact CG-CE 3.55Å; W940-M1045 HydrophobicContact CH2-CG 4.04Å; W940-M1045 HydrophobicContact CZ2-CE 4.35Å; W940-M1045 HydrophobicContact CZ2-CG 4.4Å; W940-M1045 HydrophobicContact CZ3-CB 4.24Å; W940-M1045 HydrophobicContact CZ3-CG 3.5Å; T1019-M1045 HydrophobicContact CG2-CB 3.7Å; T1019-M1045 HydrophobicContact CG2-CG 3.75Å; T1019-M1045 HydrophobicContact CG2-SD 4.4Å; V1022-M1045 HydrophobicContact CB-CE 4.41Å; V1022-M1045 HydrophobicContact CG1-CE 3.49Å; V1022-M1045 VanDerWaalsContact CG1-CE 3.49Å; V1022-M1045 HydrophobicContact CG1-SD 4.38Å; F1023-M1045 HydrophobicContact CB-SD 4.07Å; E1041-M1045 HydrophobicContact CB-CE 4.36Å; E1041-M1045 VanDerWaalsContact O-CG 3.23Å; E1041-M1045 WeakPolarHBondContact O-CG 3.37Å; E1041-M1045 PolarHBondContact O-N 3.38Å; V1042-M1045 WeakPolarHBondContact O-CB 3.44Å; V1042-M1045 PolarHBondContact O-N 3.32Å; M1045-V1048 PolarHBondContact O-N 3.28Å; M1045-I1049 WeakPolarHBondContact O-CG1 3.4Å; M1045-I1049 PolarHBondContact O-N 3.03Å
1046	V	72.9	Confident	73.5	Confident	8 Å²	8	25.7 Å²	25.7	5%	0.048	13%	0.132	C	C	.	.	H	α-helix	trans	-65	-43.2	175.7	169.2	0	0	0	0	111.1	V1042 C1043 V1044 V1048 I1049 F1050 V1156 F1161	V1042-V1046 WeakPolarHBondContact O-CG2 3.5Å; V1042-V1046 PolarHBondContact O-N 3.45Å; V1042-V1046 VanDerWaalsContact O-N 3.08Å; C1043-V1046 PolarHBondContact O-N 3.36Å; V1044-V1046 VanDerWaalsContact C-N 3.27Å; V1044-V1046 PolarHBondContact O-N 3.05Å; V1046-V1048 PolarHBondContact O-N 3.15Å; V1046-I1049 WeakPolarHBondContact O-CB 3.33Å; V1046-I1049 PolarHBondContact O-N 2.9Å; V1046-I1049 VanDerWaalsContact O-N 3.16Å; V1046-F1050 HydrophobicContact CG1-CD2 3.78Å; V1046-F1050 HydrophobicContact CG1-CE2 3.26Å; V1046-F1050 HydrophobicContact CG1-CZ 4.18Å; V1046-F1050 WeakPolarHBondContact O-CD2 3.35Å; V1046-F1050 PolarHBondContact O-N 2.8Å; V1046-V1156 HydrophobicContact CG1-CG1 3.87Å; V1046-V1156 HydrophobicContact CG1-CG2 4.22Å; V1046-F1161 HydrophobicContact CG1-CD1 4.5Å; V1046-F1161 HydrophobicContact CG1-CE1 4Å
1047	N	76	Confident	72.5	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-62.5	-41.5	176.8	-69	-24.7	0	0	0	112.8	R954 C1043 V1044 I1049 F1050 D1051 L1155 V1156 S1157	R954-N1047 HydrophobicContact CB-CB 4.23Å; R954-N1047 WeakPolarHBondContact CB-ND2 3.3Å; R954-N1047 VanDerWaalsContact O-CB 3.31Å; R954-N1047 WeakPolarHBondContact O-CB 3.48Å; R954-N1047 PolarHBondContact O-ND2 2.71Å; R954-N1047 VanDerWaalsContact O-ND2 3.12Å; C1043-N1047 VanDerWaalsContact O-CG 3.28Å; C1043-N1047 PolarHBondContact O-N 2.73Å; C1043-N1047 PolarHBondContact O-ND2 3.02Å; V1044-N1047 WeakPolarHBondContact O-CB 3.42Å; V1044-N1047 PolarHBondContact O-N 3.45Å; V1044-N1047 VanDerWaalsContact O-N 3.13Å; N1047-I1049 PolarHBondContact O-N 3.22Å; N1047-F1050 PolarHBondContact O-N 2.97Å; N1047-F1050 VanDerWaalsContact O-N 3.08Å; N1047-D1051 WeakPolarHBondContact O-CB 3.26Å; N1047-D1051 PolarHBondContact O-N 3.43Å; N1047-L1155 PolarHBondContact ND2-O 3.18Å; N1047-V1156 VanDerWaalsContact OD1-CA 3.24Å; N1047-V1156 WeakPolarHBondContact OD1-CA 3.28Å; N1047-S1157 PolarHBondContact OD1-N 3.35Å; N1047-S1157 PolarHBondContact OD1-OG 3.42Å
1048	V	73.7	Confident	71.9	Confident	7 Å²	7	28.3 Å²	28.3	4%	0.042	15%	0.153	C	C	.	.	H	α-helix	trans	-55.9	-35.4	176	171.8	0	0	0	0	111.2	F935 W940 C956 V1044 M1045 V1046 S1052	F935-V1048 HydrophobicContact CZ-CG1 4.48Å; W940-V1048 HydrophobicContact CZ3-CG2 4.32Å; C956-V1048 HydrophobicContact CB-CG2 4.43Å; V1044-V1048 WeakPolarHBondContact O-CG2 3.33Å; V1044-V1048 PolarHBondContact O-N 2.96Å; M1045-V1048 PolarHBondContact O-N 3.28Å; V1046-V1048 PolarHBondContact O-N 3.15Å; V1048-S1052 VanDerWaalsContact O-CB 3.23Å; V1048-S1052 WeakPolarHBondContact O-CB 3.45Å; V1048-S1052 PolarHBondContact O-N 2.97Å; V1048-S1052 PolarHBondContact O-OG 3.49Å
1049	I	69.8	Low	71	Confident	26 Å²	26	28.7 Å²	28.7	13%	0.133	16%	0.155	C	C	.	.	H	α-helix	trans	-71.3	-44	177.7	-61.4	166.9	0	0	0	111.1	L1016 M1045 V1046 N1047 S1052 K1053 V1076 F1079	L1016-I1049 HydrophobicContact CD1-CG1 4.48Å; M1045-I1049 WeakPolarHBondContact O-CG1 3.4Å; M1045-I1049 PolarHBondContact O-N 3.03Å; V1046-I1049 WeakPolarHBondContact O-CB 3.33Å; V1046-I1049 PolarHBondContact O-N 2.9Å; V1046-I1049 VanDerWaalsContact O-N 3.16Å; N1047-I1049 PolarHBondContact O-N 3.22Å; I1049-S1052 WeakPolarHBondContact O-CB 2.85Å; I1049-S1052 PolarHBondContact O-N 3.22Å; I1049-K1053 PolarHBondContact O-N 3.33Å; I1049-V1076 HydrophobicContact CG2-CG2 3.56Å; I1049-F1079 HydrophobicContact CD1-CD1 4.22Å; I1049-F1079 HydrophobicContact CD1-CD2 3.58Å; I1049-F1079 HydrophobicContact CD1-CE1 4.12Å; I1049-F1079 HydrophobicContact CD1-CE2 3.47Å; I1049-F1079 VanDerWaalsContact CD1-CE2 3.47Å; I1049-F1079 HydrophobicContact CD1-CG 3.96Å; I1049-F1079 HydrophobicContact CD1-CZ 3.76Å
1050	F	71.4	Confident	70.2	Confident	6 Å²	6	27.8 Å²	27.8	3%	0.026	15%	0.149	C	C	.	.	H	α-helix	trans	-65	-45.1	176.8	-69.4	-52.9	0	0	0	112	V1046 N1047 S1052 K1053 N1054 V1076 H1080 V1156 D1158 F1161	V1046-F1050 HydrophobicContact CG1-CD2 3.78Å; V1046-F1050 HydrophobicContact CG1-CE2 3.26Å; V1046-F1050 HydrophobicContact CG1-CZ 4.18Å; V1046-F1050 WeakPolarHBondContact O-CD2 3.35Å; V1046-F1050 PolarHBondContact O-N 2.8Å; N1047-F1050 PolarHBondContact O-N 2.97Å; N1047-F1050 VanDerWaalsContact O-N 3.08Å; F1050-S1052 VanDerWaalsContact C-N 3.3Å; F1050-S1052 PolarHBondContact O-N 3.01Å; F1050-K1053 WeakPolarHBondContact O-CB 3.4Å; F1050-K1053 PolarHBondContact O-N 2.82Å; F1050-K1053 VanDerWaalsContact O-N 3.13Å; F1050-N1054 PolarHBondContact O-N 3.24Å; F1050-N1054 PolarHBondContact O-ND2 2.78Å; F1050-V1076 HydrophobicContact CE1-CG1 4.14Å; F1050-H1080 AromaticContact CZ-NE2 3.94Å; F1050-V1156 HydrophobicContact CD2-CG1 4.14Å; F1050-V1156 HydrophobicContact CE2-CG1 3.79Å; F1050-D1158 HydrophobicContact CD1-CB 3.98Å; F1050-D1158 HydrophobicContact CD2-CB 3.76Å; F1050-D1158 HydrophobicContact CE1-CB 4.13Å; F1050-D1158 HydrophobicContact CE2-CB 3.88Å; F1050-D1158 HydrophobicContact CG-CB 3.83Å; F1050-D1158 HydrophobicContact CZ-CB 4.11Å; F1050-F1161 HydrophobicContact CE1-CB 4.1Å; F1050-F1161 HydrophobicContact CE1-CG 4.31Å; F1050-F1161 HydrophobicContact CE2-CB 4.11Å; F1050-F1161 AromaticContact CE2-CD1 3.42Å; F1050-F1161 HydrophobicContact CE2-CD1 3.42Å; F1050-F1161 VanDerWaalsContact CE2-CD1 3.42Å; F1050-F1161 HydrophobicContact CE2-CE1 4.01Å; F1050-F1161 AromaticContact CE2-CG 3.85Å; F1050-F1161 HydrophobicContact CE2-CG 3.85Å; F1050-F1161 HydrophobicContact CZ-CB 3.51Å; F1050-F1161 AromaticContact CZ-CD1 3.42Å; F1050-F1161 HydrophobicContact CZ-CD1 3.42Å; F1050-F1161 VanDerWaalsContact CZ-CD1 3.42Å; F1050-F1161 HydrophobicContact CZ-CD2 4.05Å; F1050-F1161 HydrophobicContact CZ-CE1 4.12Å; F1050-F1161 AromaticContact CZ-CG 3.33Å; F1050-F1161 HydrophobicContact CZ-CG 3.33Å
1051	D	70.6	Confident	69	Low	14 Å²	14	35.6 Å²	35.6	8%	0.075	17%	0.172	C	C	.	.	H	α-helix	trans	-62.3	-40.2	176.9	-70.3	-12.4	0	0	0	110.6	F963 N1047 N1054 R1055	F963-D1051 HydrophobicContact CE2-CB 4.34Å; N1047-D1051 WeakPolarHBondContact O-CB 3.26Å; N1047-D1051 PolarHBondContact O-N 3.43Å; D1051-N1054 PolarHBondContact O-N 3.48Å; D1051-R1055 WeakPolarHBondContact O-CB 3.43Å; D1051-R1055 WeakPolarHBondContact O-CG 3.31Å; D1051-R1055 PolarHBondContact O-N 2.86Å
1052	S	66.9	Low	67.4	Low	4 Å²	4	36.5 Å²	36.5	3%	0.028	19%	0.185	C	C	.	.	H	α-helix	trans	-56.7	-52.4	170.8	-63.3	0	0	0	0	111.2	F963 V1048 I1049 F1050 N1054 R1055 V1056	F963-S1052 WeakPolarHBondContact CZ-OG 3.45Å; V1048-S1052 VanDerWaalsContact O-CB 3.23Å; V1048-S1052 WeakPolarHBondContact O-CB 3.45Å; V1048-S1052 PolarHBondContact O-N 2.97Å; V1048-S1052 PolarHBondContact O-OG 3.49Å; I1049-S1052 WeakPolarHBondContact O-CB 2.85Å; I1049-S1052 PolarHBondContact O-N 3.22Å; F1050-S1052 VanDerWaalsContact C-N 3.3Å; F1050-S1052 PolarHBondContact O-N 3.01Å; S1052-N1054 VanDerWaalsContact C-N 3.33Å; S1052-N1054 PolarHBondContact O-N 3.3Å; S1052-R1055 PolarHBondContact O-N 2.98Å; S1052-V1056 WeakPolarHBondContact O-CG2 3.46Å; S1052-V1056 PolarHBondContact O-N 2.8Å
1053	K	64.8	Low	65.7	Low	82 Å²	82	39.8 Å²	39.8	36%	0.357	20%	0.201	S	C	.	.	H	α-helix	trans	-58.5	-44.8	-179	-178.2	-178.7	173.9	-177.6	0	111.8	I1049 F1050 S1057 P1072	I1049-K1053 PolarHBondContact O-N 3.33Å; F1050-K1053 WeakPolarHBondContact O-CB 3.4Å; F1050-K1053 PolarHBondContact O-N 2.82Å; F1050-K1053 VanDerWaalsContact O-N 3.13Å; K1053-S1057 PolarHBondContact O-N 3.32Å; K1053-P1072 HydrophobicContact CD-CB 4.39Å; K1053-P1072 HydrophobicContact CG-CB 4.32Å
1054	N	67.1	Low	63.9	Low	78 Å²	78	46.1 Å²	46.1	42%	0.417	24%	0.235	S	C	.	.	H	α-helix	trans	-65.4	-45.2	179.4	-69.5	-22.4	0	0	0	111.3	F1050 D1051 S1052 S1057 L1058	F1050-N1054 PolarHBondContact O-N 3.24Å; F1050-N1054 PolarHBondContact O-ND2 2.78Å; D1051-N1054 PolarHBondContact O-N 3.48Å; S1052-N1054 VanDerWaalsContact C-N 3.33Å; S1052-N1054 PolarHBondContact O-N 3.3Å; N1054-S1057 PolarHBondContact O-N 2.88Å; N1054-S1057 PolarHBondContact O-OG 3.31Å; N1054-L1058 PolarHBondContact O-N 3.47Å
1055	R	66.9	Low	62.1	Low	31 Å²	31	51.8 Å²	51.8	12%	0.117	27%	0.274	C	S	.	.	H	α-helix	trans	-70.1	-30.7	-179.8	-74.3	-177.9	167.3	126.9	-13	113.6	E960 F963 E967 D1051 S1052 S1057 L1058 L1059	E960-R1055 IonicContact OE1-CZ 4Å; E960-R1055 IonicContact OE1-NH1 3.57Å; E960-R1055 PolarHBondContact OE1-NH1 3.33Å; E960-R1055 IonicContact OE1-NH2 3.77Å; E960-R1055 IonicContact OE2-CZ 3.66Å; E960-R1055 IonicContact OE2-NH1 3.47Å; E960-R1055 PolarHBondContact OE2-NH1 2.68Å; E960-R1055 IonicContact OE2-NH2 3.93Å; E960-R1055 PolarHBondContact OE2-NH2 3.36Å; F963-R1055 VanDerWaalsContact CB-CZ 3.43Å; F963-R1055 HydrophobicContact CD1-CB 4.19Å; F963-R1055 HydrophobicContact CD1-CG 4.34Å; F963-R1055 HydrophobicContact CE1-CB 4.17Å; E967-R1055 IonicContact OE1-CZ 2.71Å; E967-R1055 IonicContact OE1-NE 2.9Å; E967-R1055 PolarHBondContact OE1-NE 3.11Å; E967-R1055 IonicContact OE1-NH2 3.63Å; D1051-R1055 WeakPolarHBondContact O-CB 3.43Å; D1051-R1055 WeakPolarHBondContact O-CG 3.31Å; D1051-R1055 PolarHBondContact O-N 2.86Å; S1052-R1055 PolarHBondContact O-N 2.98Å; R1055-S1057 VanDerWaalsContact C-N 3.28Å; R1055-S1057 PolarHBondContact O-N 2.81Å; R1055-L1058 PolarHBondContact O-N 3.24Å; R1055-L1059 HydrophobicContact CB-CD1 4.28Å; R1055-L1059 WeakPolarHBondContact O-CB 3.46Å; R1055-L1059 WeakPolarHBondContact O-CG 3.42Å; R1055-L1059 PolarHBondContact O-N 3.16Å
1056	V	63.2	Low	60.5	Low	34 Å²	34	56.5 Å²	56.5	21%	0.206	31%	0.306	C	S	.	.	H	α-helix	trans	-55.8	-46.8	170.1	172.7	0	0	0	0	110.3	I999 S1052 L1058 L1059 V1060	I999-V1056 HydrophobicContact CB-CG2 3.68Å; I999-V1056 HydrophobicContact CD1-CB 4.29Å; I999-V1056 HydrophobicContact CD1-CG2 3.61Å; I999-V1056 HydrophobicContact CG1-CG2 4.22Å; I999-V1056 HydrophobicContact CG2-CG2 3.17Å; S1052-V1056 WeakPolarHBondContact O-CG2 3.46Å; S1052-V1056 PolarHBondContact O-N 2.8Å; V1056-L1058 PolarHBondContact O-N 3.46Å; V1056-L1059 PolarHBondContact O-N 2.9Å; V1056-V1060 HydrophobicContact CG1-CB 4.26Å; V1056-V1060 HydrophobicContact CG1-CG2 4.07Å; V1056-V1060 VanDerWaalsContact O-CB 3.27Å; V1056-V1060 WeakPolarHBondContact O-CB 3.43Å; V1056-V1060 WeakPolarHBondContact O-CG2 3.49Å; V1056-V1060 PolarHBondContact O-N 3.19Å
1057	S	60.1	Low	59	Low	63 Å²	63	60.9 Å²	60.9	44%	0.441	33%	0.333	S	S	.	.	H	α-helix	trans	-62.7	-33	-176.3	77.1	0	0	0	0	112.7	K1053 N1054 R1055	K1053-S1057 PolarHBondContact O-N 3.32Å; N1054-S1057 PolarHBondContact O-N 2.88Å; N1054-S1057 PolarHBondContact O-OG 3.31Å; R1055-S1057 VanDerWaalsContact C-N 3.28Å; R1055-S1057 PolarHBondContact O-N 2.81Å
1058	L	64.9	Low	57.3	Low	103 Å²	103	64.6 Å²	64.6	54%	0.539	35%	0.351	S	S	.	.	H	α-helix	trans	-78.8	-44.3	178.8	-68.8	170.1	0	0	0	112.2	N1054 R1055 V1056	N1054-L1058 PolarHBondContact O-N 3.47Å; R1055-L1058 PolarHBondContact O-N 3.24Å; V1056-L1058 PolarHBondContact O-N 3.46Å
1059	L	62.1	Low	55.8	Low	9 Å²	9	66.5 Å²	66.5	5%	0.047	37%	0.371	C	S	.	.	H	α-helix	trans	-77.7	-31.9	-175.8	-69.7	164.6	0	0	0	113	L966 E967 Q970 A995 I999 R1055 V1056	L966-L1059 HydrophobicContact CB-CD1 4.24Å; L966-L1059 HydrophobicContact CD1-CD1 4.37Å; E967-L1059 HydrophobicContact CG-CD2 4.4Å; Q970-L1059 HydrophobicContact CB-CD2 4.42Å; A995-L1059 HydrophobicContact CB-CB 4.07Å; A995-L1059 HydrophobicContact CB-CD1 4.43Å; I999-L1059 HydrophobicContact CD1-CD1 3.77Å; R1055-L1059 HydrophobicContact CB-CD1 4.28Å; R1055-L1059 WeakPolarHBondContact O-CB 3.46Å; R1055-L1059 WeakPolarHBondContact O-CG 3.42Å; R1055-L1059 PolarHBondContact O-N 3.16Å; V1056-L1059 PolarHBondContact O-N 2.9Å
1060	V	61.3	Low	54.5	Low	4 Å²	4	73.4 Å²	73.4	2%	0.024	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	24.9	-168.5	-166.5	0	0	0	0	112.3	A995 V1056 S1062 I1063	A995-V1060 HydrophobicContact CB-CG2 4.38Å; V1056-V1060 HydrophobicContact CG1-CB 4.26Å; V1056-V1060 HydrophobicContact CG1-CG2 4.07Å; V1056-V1060 VanDerWaalsContact O-CB 3.27Å; V1056-V1060 WeakPolarHBondContact O-CB 3.43Å; V1056-V1060 WeakPolarHBondContact O-CG2 3.49Å; V1056-V1060 PolarHBondContact O-N 3.19Å; V1060-S1062 PolarHBondContact O-N 3.22Å; V1060-I1063 HydrophobicContact CG1-CB 3.97Å; V1060-I1063 HydrophobicContact CG1-CD1 3.42Å; V1060-I1063 VanDerWaalsContact CG1-CD1 3.42Å; V1060-I1063 HydrophobicContact CG1-CG1 3.57Å; V1060-I1063 PolarHBondContact O-N 3.15Å
1061	R	53.7	Low	53.1	Low	219 Å²	219	75.9 Å²	75.9	83%	0.826	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	-2.3	-167.3	-145.2	172.4	167	171	-3.4	117.9
1062	S	44.4	Very low	51.9	Low	76 Å²	76	77.6 Å²	77.6	53%	0.531	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.6	11.6	-175.9	75.8	0	0	0	0	117.2	K992 V1060 D1064	K992-S1062 WeakPolarHBondContact CE-OG 3.49Å; K992-S1062 PolarHBondContact NZ-OG 3.47Å; V1060-S1062 PolarHBondContact O-N 3.22Å; S1062-D1064 PolarHBondContact O-N 3.43Å
1063	I	41.3	Very low	50.8	Low	69 Å²	69	81 Å²	81	35%	0.354	44%	0.443	S	S	.	.	S	Bend	trans	-81.8	122.2	171.3	-59.1	-176.1	0	0	0	108.6	K992 V1060 C1065	K992-I1063 HydrophobicContact CB-CD1 4.47Å; V1060-I1063 HydrophobicContact CG1-CB 3.97Å; V1060-I1063 HydrophobicContact CG1-CD1 3.42Å; V1060-I1063 VanDerWaalsContact CG1-CD1 3.42Å; V1060-I1063 HydrophobicContact CG1-CG1 3.57Å; V1060-I1063 PolarHBondContact O-N 3.15Å; I1063-C1065 PolarHBondContact O-N 2.88Å
1064	D	39.1	Very low	49.8	Very low	135 Å²	135	81.4 Å²	81.4	72%	0.722	45%	0.453	S	S	*	.			trans	-31.2	127.4	-179.1	-73.1	-49.7	0	0	0	114	S1062 S1066	S1062-D1064 PolarHBondContact O-N 3.43Å; D1064-S1066 PolarHBondContact O-N 2.79Å
1065	C	38.4	Very low	49	Very low	119 Å²	119	80.5 Å²	80.5	80%	0.804	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	6.4	-167.4	-158.1	0	0	0	0	116.6	I1063	I1063-C1065 PolarHBondContact O-N 2.88Å
1066	S	41.3	Very low	48.4	Very low	98 Å²	98	79.7 Å²	79.7	69%	0.685	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-26.4	-175.8	67.4	0	0	0	0	114.6	D1064	D1064-S1066 PolarHBondContact O-N 2.79Å
1067	T	42.4	Very low	48	Very low	100 Å²	100	82.2 Å²	82.2	61%	0.613	45%	0.453	S	S	*	.	S	Bend	trans	-101.7	-23.1	-176.6	12.3	0	0	0	0	114.8	G1069	T1067-G1069 PolarHBondContact O-N 2.89Å
1068	Q	40.7	Very low	48.2	Very low	80 Å²	80	81.9 Å²	81.9	37%	0.374	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-30.8	179.3	-82	-175.5	-9.8	0	0	113.8	P1072	Q1068-P1072 WeakPolarHBondContact O-CD 3.44Å
1069	G	41.2	Very low	48.1	Very low	46 Å²	46	77.2 Å²	77.2	47%	0.474	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-24.6	-169.9	0	0	0	0	0	115.9	T1067 N1073	T1067-G1069 PolarHBondContact O-N 2.89Å; G1069-N1073 PolarHBondContact O-ND2 2.84Å; G1069-N1073 VanDerWaalsContact O-ND2 3.08Å
1070	K	42.5	Very low	48.4	Very low	171 Å²	171	77.9 Å²	77.9	74%	0.743	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-24.4	-166.5	-74.9	-174.4	178.6	176.5	0	115.1	V1074	K1070-V1074 WeakPolarHBondContact O-CG2 3.4Å
1071	L	43.4	Very low	48.8	Very low	58 Å²	58	81.6 Å²	81.6	30%	0.304	45%	0.445	S	S	.	.	H	α-helix	trans	-105.9	-42.4	-162.1	-134.9	141.5	0	0	0	116.3	E1004 N1073 V1074	E1004-L1071 HydrophobicContact CB-CD2 3.89Å; E1004-L1071 HydrophobicContact CG-CD2 3.85Å; E1004-L1071 WeakPolarHBondContact OE1-CD1 3.46Å; E1004-L1071 VanDerWaalsContact OE1-CD2 3.29Å; E1004-L1071 WeakPolarHBondContact OE1-CD2 3.48Å; E1004-L1071 VanDerWaalsContact OE2-CD1 3.29Å; E1004-L1071 WeakPolarHBondContact OE2-CD1 3.42Å; E1004-L1071 WeakPolarHBondContact OE2-CD2 3.38Å; L1071-N1073 PolarHBondContact O-N 3.31Å; L1071-V1074 PolarHBondContact O-N 2.72Å
1072	P	43.6	Very low	49.7	Very low	51 Å²	51	73.4 Å²	73.4	33%	0.331	42%	0.417	S	S	.	.	H	α-helix	trans	-57.6	-37.3	170.4	-20.2	30.5	0	0	0	111.3	K1053 Q1068 V1074 V1076	K1053-P1072 HydrophobicContact CD-CB 4.39Å; K1053-P1072 HydrophobicContact CG-CB 4.32Å; Q1068-P1072 WeakPolarHBondContact O-CD 3.44Å; P1072-V1074 PolarHBondContact O-N 3.05Å; P1072-V1076 WeakPolarHBondContact O-CB 3.37Å; P1072-V1076 WeakPolarHBondContact O-CG2 3.49Å; P1072-V1076 PolarHBondContact O-N 3.07Å
1073	N	43.7	Very low	51.3	Low	75 Å²	75	69.9 Å²	69.9	40%	0.401	39%	0.393	S	S	.	.	H	α-helix	trans	-65.9	-40.4	-178.8	-72.6	-25.2	0	0	0	112.4	G1069 L1071 R1075 I1077	G1069-N1073 PolarHBondContact O-ND2 2.84Å; G1069-N1073 VanDerWaalsContact O-ND2 3.08Å; L1071-N1073 PolarHBondContact O-N 3.31Å; N1073-R1075 PolarHBondContact O-N 2.97Å; N1073-I1077 WeakPolarHBondContact O-CB 3.43Å; N1073-I1077 WeakPolarHBondContact O-CD1 3.39Å; N1073-I1077 WeakPolarHBondContact O-CG1 3.23Å; N1073-I1077 PolarHBondContact O-N 3.35Å
1074	V	44.4	Very low	53.2	Low	91 Å²	91	68.1 Å²	68.1	55%	0.552	38%	0.382	S	S	*	.	H	α-helix	trans	-69.4	-33.6	-174.4	172.5	0	0	0	0	113.1	K1070 L1071 P1072 T1078	K1070-V1074 WeakPolarHBondContact O-CG2 3.4Å; L1071-V1074 PolarHBondContact O-N 2.72Å; P1072-V1074 PolarHBondContact O-N 3.05Å; V1074-T1078 PolarHBondContact O-OG1 3.45Å; V1074-T1078 VanDerWaalsContact O-OG1 3.13Å
1075	R	50.6	Low	55.2	Low	58 Å²	58	66.1 Å²	66.1	22%	0.219	37%	0.371	C	S	.	.	H	α-helix	trans	-90.6	-32.8	-177.7	-67.4	-174.2	-178.9	-147.1	-2.1	113.9	A1003 N1073 I1077 T1078 F1079	A1003-R1075 VanDerWaalsContact O-CD 3.27Å; A1003-R1075 WeakPolarHBondContact O-CD 3.41Å; N1073-R1075 PolarHBondContact O-N 2.97Å; R1075-I1077 PolarHBondContact O-N 3.01Å; R1075-T1078 WeakPolarHBondContact O-CA 3.41Å; R1075-T1078 WeakPolarHBondContact O-CB 3.47Å; R1075-T1078 PolarHBondContact O-N 2.94Å; R1075-F1079 PolarHBondContact O-N 2.96Å
1076	V	54.8	Low	57.3	Low	14 Å²	14	61.1 Å²	61.1	9%	0.085	34%	0.336	C	S	.	.	H	α-helix	trans	-54.6	-43.8	165.8	170.1	0	0	0	0	109.5	I1049 F1050 P1072 T1078 F1079 H1080	I1049-V1076 HydrophobicContact CG2-CG2 3.56Å; F1050-V1076 HydrophobicContact CE1-CG1 4.14Å; P1072-V1076 WeakPolarHBondContact O-CB 3.37Å; P1072-V1076 WeakPolarHBondContact O-CG2 3.49Å; P1072-V1076 PolarHBondContact O-N 3.07Å; V1076-T1078 PolarHBondContact O-N 3.44Å; V1076-F1079 PolarHBondContact O-N 2.88Å; V1076-H1080 WeakPolarHBondContact CG1-CE1 3.32Å; V1076-H1080 WeakPolarHBondContact CG1-NE2 3.27Å; V1076-H1080 PolarHBondContact O-CD2 2.74Å; V1076-H1080 PolarHBondContact O-N 3.42Å; V1076-H1080 VanDerWaalsContact O-N 3.09Å; V1076-H1080 PolarHBondContact O-NE2 3.32Å
1077	I	55.3	Low	59.4	Low	88 Å²	88	56.5 Å²	56.5	45%	0.451	30%	0.303	S	S	.	.	H	α-helix	trans	-56.8	-34.1	172.2	-69	163.4	0	0	0	112.3	N1073 R1075 M1081	N1073-I1077 WeakPolarHBondContact O-CB 3.43Å; N1073-I1077 WeakPolarHBondContact O-CD1 3.39Å; N1073-I1077 WeakPolarHBondContact O-CG1 3.23Å; N1073-I1077 PolarHBondContact O-N 3.35Å; R1075-I1077 PolarHBondContact O-N 3.01Å; I1077-M1081 HydrophobicContact CG2-CE 4.33Å; I1077-M1081 HydrophobicContact CG2-CG 4.11Å; I1077-M1081 WeakPolarHBondContact O-CB 3.48Å; I1077-M1081 WeakPolarHBondContact O-CG 3.39Å; I1077-M1081 PolarHBondContact O-N 3.35Å
1078	T	62.7	Low	61.6	Low	55 Å²	55	52.5 Å²	52.5	34%	0.337	28%	0.278	S	S	.	.	H	α-helix	trans	-71.7	-46.3	-177.5	-50.4	0	0	0	0	112.1	V1074 R1075 V1076 H1080 M1081 L1082	V1074-T1078 PolarHBondContact O-OG1 3.45Å; V1074-T1078 VanDerWaalsContact O-OG1 3.13Å; R1075-T1078 WeakPolarHBondContact O-CA 3.41Å; R1075-T1078 WeakPolarHBondContact O-CB 3.47Å; R1075-T1078 PolarHBondContact O-N 2.94Å; V1076-T1078 PolarHBondContact O-N 3.44Å; T1078-H1080 VanDerWaalsContact C-N 3.3Å; T1078-H1080 PolarHBondContact O-N 2.93Å; T1078-M1081 PolarHBondContact O-N 2.95Å; T1078-L1082 HydrophobicContact CG2-CD1 4.3Å; T1078-L1082 WeakPolarHBondContact O-CG 2.97Å; T1078-L1082 PolarHBondContact O-N 2.86Å
1079	F	63.8	Low	63.7	Low	5 Å²	5	48.8 Å²	48.8	2%	0.022	26%	0.261	C	S	.	.	H	α-helix	trans	-59.9	-42.9	173.5	-88	-95.9	0	0	0	111.2	T1019 L1020 F1023 I1049 R1075 V1076 M1081 L1082 L1083	T1019-F1079 HydrophobicContact CG2-CZ 4.19Å; L1020-F1079 VanDerWaalsContact CA-CZ 3.5Å; L1020-F1079 HydrophobicContact CB-CE2 3.84Å; L1020-F1079 HydrophobicContact CB-CZ 3.72Å; L1020-F1079 HydrophobicContact CD1-CD1 4.29Å; L1020-F1079 HydrophobicContact CD1-CD2 3.72Å; L1020-F1079 HydrophobicContact CD1-CE1 4.03Å; L1020-F1079 HydrophobicContact CD1-CE2 3.41Å; L1020-F1079 VanDerWaalsContact CD1-CE2 3.41Å; L1020-F1079 HydrophobicContact CD1-CG 4.16Å; L1020-F1079 HydrophobicContact CD1-CZ 3.58Å; L1020-F1079 HydrophobicContact CG-CE2 4.14Å; L1020-F1079 HydrophobicContact CG-CZ 4.25Å; F1023-F1079 HydrophobicContact CB-CD1 4.34Å; F1023-F1079 HydrophobicContact CB-CE1 3.56Å; F1023-F1079 HydrophobicContact CB-CZ 4.28Å; F1023-F1079 AromaticContact CD1-CD1 3.53Å; F1023-F1079 HydrophobicContact CD1-CD1 3.53Å; F1023-F1079 AromaticContact CD1-CE1 3.55Å; F1023-F1079 HydrophobicContact CD1-CE1 3.55Å; F1023-F1079 HydrophobicContact CD1-CG 4.44Å; F1023-F1079 HydrophobicContact CD1-CZ 4.47Å; F1023-F1079 AromaticContact CD2-CD1 3.72Å; F1023-F1079 HydrophobicContact CD2-CD1 3.72Å; F1023-F1079 AromaticContact CD2-CE1 3.68Å; F1023-F1079 HydrophobicContact CD2-CE1 3.68Å; F1023-F1079 HydrophobicContact CE1-CB 4.48Å; F1023-F1079 AromaticContact CE1-CD1 3.5Å; F1023-F1079 HydrophobicContact CE1-CD1 3.5Å; F1023-F1079 VanDerWaalsContact CE1-CD1 3.5Å; F1023-F1079 HydrophobicContact CE1-CE1 4.04Å; F1023-F1079 HydrophobicContact CE1-CG 4.2Å; F1023-F1079 AromaticContact CE2-CD1 3.72Å; F1023-F1079 HydrophobicContact CE2-CD1 3.72Å; F1023-F1079 HydrophobicContact CE2-CE1 4.18Å; F1023-F1079 AromaticContact CG-CD1 3.62Å; F1023-F1079 HydrophobicContact CG-CD1 3.62Å; F1023-F1079 AromaticContact CG-CE1 3.33Å; F1023-F1079 HydrophobicContact CG-CE1 3.33Å; F1023-F1079 HydrophobicContact CG-CZ 4.39Å; F1023-F1079 HydrophobicContact CZ-CB 4.47Å; F1023-F1079 AromaticContact CZ-CD1 3.61Å; F1023-F1079 HydrophobicContact CZ-CD1 3.61Å; F1023-F1079 HydrophobicContact CZ-CE1 4.34Å; F1023-F1079 HydrophobicContact CZ-CG 4.43Å; I1049-F1079 HydrophobicContact CD1-CD1 4.22Å; I1049-F1079 HydrophobicContact CD1-CD2 3.58Å; I1049-F1079 HydrophobicContact CD1-CE1 4.12Å; I1049-F1079 HydrophobicContact CD1-CE2 3.47Å; I1049-F1079 VanDerWaalsContact CD1-CE2 3.47Å; I1049-F1079 HydrophobicContact CD1-CG 3.96Å; I1049-F1079 HydrophobicContact CD1-CZ 3.76Å; R1075-F1079 PolarHBondContact O-N 2.96Å; V1076-F1079 PolarHBondContact O-N 2.88Å; F1079-M1081 PolarHBondContact O-N 3.44Å; F1079-L1082 PolarHBondContact O-N 3.12Å; F1079-L1083 WeakPolarHBondContact O-CB 3.34Å; F1079-L1083 PolarHBondContact O-N 2.82Å
1080	H	68	Low	66	Low	23 Å²	23	46.6 Å²	46.6	11%	0.106	24%	0.239	C	C	.	.	H	α-helix	trans	-58.5	-49.2	175.4	-64.8	-169.1	0	0	0	110.6	F1050 V1076 T1078 L1082 L1083 F1084 F1161 F1165	F1050-H1080 AromaticContact CZ-NE2 3.94Å; V1076-H1080 WeakPolarHBondContact CG1-CE1 3.32Å; V1076-H1080 WeakPolarHBondContact CG1-NE2 3.27Å; V1076-H1080 PolarHBondContact O-CD2 2.74Å; V1076-H1080 PolarHBondContact O-N 3.42Å; V1076-H1080 VanDerWaalsContact O-N 3.09Å; V1076-H1080 PolarHBondContact O-NE2 3.32Å; T1078-H1080 VanDerWaalsContact C-N 3.3Å; T1078-H1080 PolarHBondContact O-N 2.93Å; H1080-L1082 PolarHBondContact O-N 3.42Å; H1080-L1083 PolarHBondContact O-N 3.35Å; H1080-F1084 WeakPolarHBondContact O-CB 3.24Å; H1080-F1084 PolarHBondContact O-N 3.32Å; H1080-F1161 HydrophobicContact CB-CE2 4.41Å; H1080-F1161 AromaticContact CD2-CD2 3.86Å; H1080-F1161 AromaticContact CD2-CE2 3.14Å; H1080-F1161 WeakPolarHBondContact CD2-CE2 3.49Å; H1080-F1161 AromaticContact CD2-CZ 3.55Å; H1080-F1161 AromaticContact CE1-CD2 2.91Å; H1080-F1161 WeakPolarHBondContact CE1-CD2 3.41Å; H1080-F1161 AromaticContact CE1-CE2 2.99Å; H1080-F1161 WeakPolarHBondContact CE1-CE2 3.44Å; H1080-F1161 AromaticContact CE1-CG 3.97Å; H1080-F1161 AromaticContact CG-CE2 3.37Å; H1080-F1161 AromaticContact ND1-CD2 3.57Å; H1080-F1161 AromaticContact ND1-CE2 3.26Å; H1080-F1161 VanDerWaalsContact ND1-CE2 3.26Å; H1080-F1161 WeakPolarHBondContact ND1-CE2 3.34Å; H1080-F1161 AromaticContact NE2-CD2 3.11Å; H1080-F1161 WeakPolarHBondContact NE2-CD2 3.38Å; H1080-F1161 AromaticContact NE2-CE2 2.91Å; H1080-F1161 WeakPolarHBondContact NE2-CE2 3.46Å; H1080-F1161 AromaticContact NE2-CG 3.91Å; H1080-F1161 AromaticContact NE2-CZ 3.55Å; H1080-F1165 HydrophobicContact CB-CD2 4.29Å; H1080-F1165 HydrophobicContact CB-CE2 4.34Å; H1080-F1165 WeakPolarHBondContact O-CE2 3.41Å
1081	M	69.2	Low	68.2	Low	82 Å²	82	38.4 Å²	38.4	40%	0.404	20%	0.203	S	C	.	.	H	α-helix	trans	-65	-40	-177.9	-72.8	-63.2	158.5	0	0	112.5	I1077 T1078 F1079 F1084 L1085 L1169	I1077-M1081 HydrophobicContact CG2-CE 4.33Å; I1077-M1081 HydrophobicContact CG2-CG 4.11Å; I1077-M1081 WeakPolarHBondContact O-CB 3.48Å; I1077-M1081 WeakPolarHBondContact O-CG 3.39Å; I1077-M1081 PolarHBondContact O-N 3.35Å; T1078-M1081 PolarHBondContact O-N 2.95Å; F1079-M1081 PolarHBondContact O-N 3.44Å; M1081-F1084 WeakPolarHBondContact O-CB 3.3Å; M1081-F1084 PolarHBondContact O-N 2.95Å; M1081-F1084 HydrophobicContact SD-CD1 4.27Å; M1081-L1085 WeakPolarHBondContact O-CB 3.11Å; M1081-L1085 WeakPolarHBondContact O-CG 3.44Å; M1081-L1085 PolarHBondContact O-N 2.99Å; M1081-L1169 HydrophobicContact CE-CD2 3.63Å; M1081-L1169 HydrophobicContact SD-CD2 3.84Å
1082	L	73.4	Confident	70.4	Confident	48 Å²	48	40 Å²	40	25%	0.251	21%	0.209	S	C	.	.	H	α-helix	trans	-68.3	-44.6	178.2	-75.1	173.6	0	0	0	112.3	L1020 F1023 E1024 L1027 T1078 F1079 H1080 F1084 L1085 Q1086	L1020-L1082 HydrophobicContact CD1-CD1 3.87Å; F1023-L1082 HydrophobicContact CD1-CD1 4.31Å; F1023-L1082 HydrophobicContact CE1-CB 3.76Å; F1023-L1082 HydrophobicContact CE1-CD1 4.03Å; F1023-L1082 HydrophobicContact CZ-CB 4.48Å; E1024-L1082 HydrophobicContact CG-CD1 3.78Å; L1027-L1082 HydrophobicContact CD1-CB 3.77Å; T1078-L1082 HydrophobicContact CG2-CD1 4.3Å; T1078-L1082 WeakPolarHBondContact O-CG 2.97Å; T1078-L1082 PolarHBondContact O-N 2.86Å; F1079-L1082 PolarHBondContact O-N 3.12Å; H1080-L1082 PolarHBondContact O-N 3.42Å; L1082-F1084 VanDerWaalsContact C-N 3.31Å; L1082-F1084 PolarHBondContact O-N 3.04Å; L1082-L1085 PolarHBondContact O-N 3.45Å; L1082-Q1086 PolarHBondContact O-N 2.95Å
1083	L	78.5	Confident	72.5	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-60.9	-44.6	174.1	-172.3	63.9	0	0	0	110.4	F1023 I1038 F1079 H1080 Q1086 L1087 L1152 F1165	F1023-L1083 HydrophobicContact CZ-CB 4.15Å; I1038-L1083 HydrophobicContact CD1-CD1 4.3Å; F1079-L1083 WeakPolarHBondContact O-CB 3.34Å; F1079-L1083 PolarHBondContact O-N 2.82Å; H1080-L1083 PolarHBondContact O-N 3.35Å; L1083-Q1086 PolarHBondContact O-N 3.27Å; L1083-L1087 HydrophobicContact CG-CD1 4.26Å; L1083-L1087 VanDerWaalsContact O-CG 3.32Å; L1083-L1087 WeakPolarHBondContact O-CG 3.24Å; L1083-L1087 PolarHBondContact O-N 3.13Å; L1083-L1152 HydrophobicContact CD2-CD1 4.28Å; L1083-L1152 HydrophobicContact CD2-CD2 3.9Å; L1083-F1165 HydrophobicContact CB-CZ 3.98Å; L1083-F1165 HydrophobicContact CD2-CE1 3.74Å; L1083-F1165 HydrophobicContact CD2-CZ 3.64Å; L1083-F1165 HydrophobicContact CG-CE1 4.23Å; L1083-F1165 HydrophobicContact CG-CZ 3.77Å
1084	F	80.2	Confident	74.5	Confident	31 Å²	31	35.6 Å²	35.6	14%	0.136	19%	0.186	C	C	.	.	H	α-helix	trans	-57.3	-51.1	175.5	167.4	-112.3	0	0	0	112.4	H1080 M1081 L1082 Q1086 L1087 L1088 F1165 L1169	H1080-F1084 WeakPolarHBondContact O-CB 3.24Å; H1080-F1084 PolarHBondContact O-N 3.32Å; M1081-F1084 WeakPolarHBondContact O-CB 3.3Å; M1081-F1084 PolarHBondContact O-N 2.95Å; M1081-F1084 HydrophobicContact SD-CD1 4.27Å; L1082-F1084 VanDerWaalsContact C-N 3.31Å; L1082-F1084 PolarHBondContact O-N 3.04Å; F1084-Q1086 VanDerWaalsContact C-N 3.26Å; F1084-Q1086 PolarHBondContact O-N 3.06Å; F1084-L1087 PolarHBondContact O-N 3.29Å; F1084-L1088 HydrophobicContact CD1-CD1 4.47Å; F1084-L1088 HydrophobicContact CD2-CD1 4.06Å; F1084-L1088 HydrophobicContact CD2-CG 3.95Å; F1084-L1088 HydrophobicContact CE1-CD1 3.79Å; F1084-L1088 HydrophobicContact CE2-CD1 3.28Å; F1084-L1088 HydrophobicContact CE2-CD2 4.14Å; F1084-L1088 HydrophobicContact CE2-CG 3.57Å; F1084-L1088 HydrophobicContact CZ-CD1 3.16Å; F1084-L1088 HydrophobicContact CZ-CG 3.99Å; F1084-L1088 WeakPolarHBondContact O-CB 3.43Å; F1084-L1088 WeakPolarHBondContact O-CG 3.24Å; F1084-L1088 PolarHBondContact O-N 3.08Å; F1084-F1165 HydrophobicContact CB-CE2 3.93Å; F1084-F1165 HydrophobicContact CB-CZ 4.28Å; F1084-L1169 HydrophobicContact CB-CD2 3.88Å; F1084-L1169 HydrophobicContact CD1-CD2 3.94Å; F1084-L1169 HydrophobicContact CD2-CB 3.66Å; F1084-L1169 HydrophobicContact CD2-CD2 4.02Å; F1084-L1169 HydrophobicContact CD2-CG 4.39Å; F1084-L1169 HydrophobicContact CE1-CD2 4.42Å; F1084-L1169 VanDerWaalsContact CE2-C 3.4Å; F1084-L1169 HydrophobicContact CE2-CB 3.87Å; F1084-L1169 WeakPolarHBondContact CE2-O 3.43Å; F1084-L1169 HydrophobicContact CG-CB 4.2Å; F1084-L1169 HydrophobicContact CG-CD2 3.68Å
1085	L	81.7	Confident	76.7	Confident	94 Å²	94	31.6 Å²	31.6	49%	0.492	16%	0.161	S	C	.	.	H	α-helix	trans	-61.4	-35.5	178.7	-74.6	171.5	0	0	0	112	M1081 L1082 G1089	M1081-L1085 WeakPolarHBondContact O-CB 3.11Å; M1081-L1085 WeakPolarHBondContact O-CG 3.44Å; M1081-L1085 PolarHBondContact O-N 2.99Å; L1082-L1085 PolarHBondContact O-N 3.45Å; L1085-G1089 WeakPolarHBondContact O-CA 3.22Å; L1085-G1089 PolarHBondContact O-N 2.86Å
1086	Q	81.6	Confident	78.4	Confident	13 Å²	13	33 Å²	33	6%	0.061	18%	0.175	C	C	.	.	H	α-helix	trans	-70.1	-45.8	177.3	-174.1	65.7	7.8	0	0	112	L1027 A1030 Y1036 L1082 L1083 F1084 G1089 V1090	L1027-Q1086 HydrophobicContact CD2-CB 3.69Å; L1027-Q1086 HydrophobicContact CD2-CG 3.66Å; A1030-Q1086 VanDerWaalsContact CB-NE2 3.29Å; A1030-Q1086 PolarHBondContact O-NE2 2.81Å; Y1036-Q1086 HydrophobicContact CE1-CG 4.06Å; L1082-Q1086 PolarHBondContact O-N 2.95Å; L1083-Q1086 PolarHBondContact O-N 3.27Å; F1084-Q1086 VanDerWaalsContact C-N 3.26Å; F1084-Q1086 PolarHBondContact O-N 3.06Å; Q1086-G1089 PolarHBondContact O-N 3.07Å; Q1086-V1090 PolarHBondContact O-N 2.47Å
1087	L	85.7	Confident	79.9	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-64	-44	178.5	-66.2	177.7	0	0	0	111.4	Y1036 I1038 L1083 F1084 G1089 V1090 F1144 F1165 I1170	Y1036-L1087 HydrophobicContact CE1-CD2 4.34Å; I1038-L1087 HydrophobicContact CD1-CD1 4.16Å; I1038-L1087 HydrophobicContact CD1-CD2 3.97Å; I1038-L1087 HydrophobicContact CG1-CD2 4.08Å; L1083-L1087 HydrophobicContact CG-CD1 4.26Å; L1083-L1087 VanDerWaalsContact O-CG 3.32Å; L1083-L1087 WeakPolarHBondContact O-CG 3.24Å; L1083-L1087 PolarHBondContact O-N 3.13Å; F1084-L1087 PolarHBondContact O-N 3.29Å; L1087-G1089 VanDerWaalsContact C-N 3.31Å; L1087-G1089 PolarHBondContact O-N 3.2Å; L1087-V1090 WeakPolarHBondContact O-CB 3.15Å; L1087-V1090 PolarHBondContact O-N 2.92Å; L1087-F1144 HydrophobicContact CD2-CE1 4.49Å; L1087-F1144 HydrophobicContact CD2-CE2 4.32Å; L1087-F1144 HydrophobicContact CD2-CZ 3.63Å; L1087-F1165 HydrophobicContact CD1-CE1 4.12Å; L1087-F1165 HydrophobicContact CD1-CZ 4.26Å; L1087-I1170 HydrophobicContact CD1-CD1 3.79Å
1088	L	87.6	Confident	81.2	Confident	16 Å²	16	31.1 Å²	31.1	8%	0.084	16%	0.163	C	C	.	.	H	α-helix	trans	-66	-33.5	172.8	-74.4	-161.9	0	0	0	112.9	F1084 V1090 L1091 E1092 Q1174 L1177	F1084-L1088 HydrophobicContact CD1-CD1 4.47Å; F1084-L1088 HydrophobicContact CD2-CD1 4.06Å; F1084-L1088 HydrophobicContact CD2-CG 3.95Å; F1084-L1088 HydrophobicContact CE1-CD1 3.79Å; F1084-L1088 HydrophobicContact CE2-CD1 3.28Å; F1084-L1088 HydrophobicContact CE2-CD2 4.14Å; F1084-L1088 HydrophobicContact CE2-CG 3.57Å; F1084-L1088 HydrophobicContact CZ-CD1 3.16Å; F1084-L1088 HydrophobicContact CZ-CG 3.99Å; F1084-L1088 WeakPolarHBondContact O-CB 3.43Å; F1084-L1088 WeakPolarHBondContact O-CG 3.24Å; F1084-L1088 PolarHBondContact O-N 3.08Å; L1088-V1090 PolarHBondContact O-N 3.49Å; L1088-L1091 CarbonylContact O-C 3.52Å; L1088-L1091 WeakPolarHBondContact O-CA 3.46Å; L1088-L1091 WeakPolarHBondContact O-CB 3.4Å; L1088-L1091 PolarHBondContact O-N 3.36Å; L1088-E1092 PolarHBondContact O-N 3.47Å; L1088-Q1174 HydrophobicContact CD2-CB 4.5Å; L1088-Q1174 HydrophobicContact CD2-CG 3.78Å; L1088-L1177 HydrophobicContact CB-CD1 3.88Å; L1088-L1177 HydrophobicContact CD1-CD1 4.05Å; L1088-L1177 HydrophobicContact CD2-CD1 4.22Å; L1088-L1177 HydrophobicContact CG-CD1 4.29Å
1089	G	86.4	Confident	82.2	Confident	2 Å²	2	29.3 Å²	29.3	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-60.3	-29.1	175.9	0	0	0	0	0	112.8	L1085 Q1086 L1087 S1093	L1085-G1089 WeakPolarHBondContact O-CA 3.22Å; L1085-G1089 PolarHBondContact O-N 2.86Å; Q1086-G1089 PolarHBondContact O-N 3.07Å; L1087-G1089 VanDerWaalsContact C-N 3.31Å; L1087-G1089 PolarHBondContact O-N 3.2Å; G1089-S1093 VanDerWaalsContact O-CB 3.25Å; G1089-S1093 WeakPolarHBondContact O-CB 3.36Å; G1089-S1093 PolarHBondContact O-N 3.12Å
1090	V	87.9	Confident	83	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68.9	-40.2	172.2	-180	0	0	0	0	111.1	R1032 T1034 Q1086 L1087 L1088 T1094 Y1141 F1144	R1032-V1090 HydrophobicContact CB-CG2 4.48Å; T1034-V1090 HydrophobicContact CG2-CG1 4.25Å; Q1086-V1090 PolarHBondContact O-N 2.47Å; L1087-V1090 WeakPolarHBondContact O-CB 3.15Å; L1087-V1090 PolarHBondContact O-N 2.92Å; L1088-V1090 PolarHBondContact O-N 3.49Å; V1090-T1094 WeakPolarHBondContact O-CB 3.37Å; V1090-T1094 PolarHBondContact O-N 2.82Å; V1090-T1094 PolarHBondContact O-OG1 3.4Å; V1090-Y1141 HydrophobicContact CG1-CD2 4.25Å; V1090-Y1141 HydrophobicContact CG1-CE2 4.47Å; V1090-F1144 HydrophobicContact CB-CD1 4.19Å; V1090-F1144 HydrophobicContact CB-CE1 3.55Å; V1090-F1144 HydrophobicContact CB-CZ 3.86Å; V1090-F1144 HydrophobicContact CG1-CD1 3.64Å; V1090-F1144 HydrophobicContact CG1-CE1 3.54Å; V1090-F1144 HydrophobicContact CG1-CG 4.19Å; V1090-F1144 HydrophobicContact CG1-CZ 4.03Å; V1090-F1144 HydrophobicContact CG2-CE1 3.89Å; V1090-F1144 HydrophobicContact CG2-CE2 4.25Å; V1090-F1144 HydrophobicContact CG2-CZ 3.61Å
1091	L	89.8	Confident	83.4	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.7	-48.6	172.9	179.6	55.5	0	0	0	110.9	L1088 S1093 T1094 L1095 Y1141 Q1174 L1177 I1178	L1088-L1091 CarbonylContact O-C 3.52Å; L1088-L1091 WeakPolarHBondContact O-CA 3.46Å; L1088-L1091 WeakPolarHBondContact O-CB 3.4Å; L1088-L1091 PolarHBondContact O-N 3.36Å; L1091-S1093 VanDerWaalsContact C-N 3.32Å; L1091-S1093 PolarHBondContact O-N 3.29Å; L1091-T1094 CarbonylContact O-C 3.56Å; L1091-T1094 WeakPolarHBondContact O-CA 3.42Å; L1091-T1094 VanDerWaalsContact O-CB 3.31Å; L1091-T1094 WeakPolarHBondContact O-CB 3.36Å; L1091-T1094 PolarHBondContact O-N 3.03Å; L1091-L1095 HydrophobicContact CD1-CD1 4.21Å; L1091-L1095 HydrophobicContact CD1-CD2 4.48Å; L1091-L1095 HydrophobicContact CD1-CG 4.03Å; L1091-L1095 HydrophobicContact CG-CD1 3.96Å; L1091-L1095 HydrophobicContact CG-CG 4.24Å; L1091-L1095 WeakPolarHBondContact O-CG 3.4Å; L1091-L1095 PolarHBondContact O-N 3.48Å; L1091-Y1141 VanDerWaalsContact CA-CE2 3.5Å; L1091-Y1141 HydrophobicContact CB-CD2 4.41Å; L1091-Y1141 HydrophobicContact CB-CE2 3.5Å; L1091-Y1141 WeakPolarHBondContact CB-OH 3.47Å; L1091-Y1141 HydrophobicContact CD1-CD1 4.31Å; L1091-Y1141 HydrophobicContact CD1-CD2 4.31Å; L1091-Y1141 HydrophobicContact CD1-CE1 3.88Å; L1091-Y1141 HydrophobicContact CD1-CE2 3.9Å; L1091-Y1141 HydrophobicContact CD1-CG 4.5Å; L1091-Y1141 HydrophobicContact CG-CE2 4.22Å; L1091-Q1174 HydrophobicContact CD2-CB 3.85Å; L1091-Q1174 HydrophobicContact CD2-CG 3.81Å; L1091-L1177 HydrophobicContact CB-CD1 4.44Å; L1091-L1177 HydrophobicContact CD2-CB 4.11Å; L1091-L1177 HydrophobicContact CD2-CD1 4.19Å; L1091-L1177 HydrophobicContact CG-CD1 4.43Å; L1091-I1178 HydrophobicContact CD1-CG1 4.46Å; L1091-I1178 HydrophobicContact CD2-CD1 4.36Å; L1091-I1178 HydrophobicContact CD2-CG1 4.18Å
1092	E	89	Confident	83.8	Confident	92 Å²	92	32.3 Å²	32.3	43%	0.43	16%	0.161	S	C	.	.	H	α-helix	trans	-55.9	-46.7	177.7	-172.2	-177.9	-159.8	0	0	111.3	R1032 L1088 T1094 L1095 V1096 L1177	R1032-E1092 IonicContact NH1-OE2 3.33Å; L1088-E1092 PolarHBondContact O-N 3.47Å; E1092-T1094 VanDerWaalsContact C-N 3.3Å; E1092-T1094 PolarHBondContact O-N 3.06Å; E1092-L1095 PolarHBondContact O-N 2.66Å; E1092-V1096 VanDerWaalsContact O-CG2 3.3Å; E1092-V1096 WeakPolarHBondContact O-CG2 3.36Å; E1092-V1096 PolarHBondContact O-N 3.26Å; E1092-L1177 HydrophobicContact CB-CD1 4.45Å
1093	S	87.4	Confident	83.4	Confident	32 Å²	32	35.5 Å²	35.5	22%	0.224	17%	0.174	C	C	.	.	H	α-helix	trans	-59.8	-38.5	173.6	178.6	0	0	0	0	112.5	R1032 G1089 L1091 K1097	R1032-S1093 WeakPolarHBondContact O-CB 3.14Å; R1032-S1093 PolarHBondContact O-OG 3.41Å; G1089-S1093 VanDerWaalsContact O-CB 3.25Å; G1089-S1093 WeakPolarHBondContact O-CB 3.36Å; G1089-S1093 PolarHBondContact O-N 3.12Å; L1091-S1093 VanDerWaalsContact C-N 3.32Å; L1091-S1093 PolarHBondContact O-N 3.29Å; S1093-K1097 VanDerWaalsContact O-CG 3.28Å; S1093-K1097 WeakPolarHBondContact O-CG 3.29Å; S1093-K1097 PolarHBondContact O-N 2.99Å
1094	T	87.4	Confident	82.8	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-67	-43.1	175.4	-55.7	0	0	0	0	111.1	V1090 L1091 E1092 K1097 L1098 L1137	V1090-T1094 WeakPolarHBondContact O-CB 3.37Å; V1090-T1094 PolarHBondContact O-N 2.82Å; V1090-T1094 PolarHBondContact O-OG1 3.4Å; L1091-T1094 CarbonylContact O-C 3.56Å; L1091-T1094 WeakPolarHBondContact O-CA 3.42Å; L1091-T1094 VanDerWaalsContact O-CB 3.31Å; L1091-T1094 WeakPolarHBondContact O-CB 3.36Å; L1091-T1094 PolarHBondContact O-N 3.03Å; E1092-T1094 VanDerWaalsContact C-N 3.3Å; E1092-T1094 PolarHBondContact O-N 3.06Å; T1094-K1097 WeakPolarHBondContact O-CB 3.35Å; T1094-K1097 PolarHBondContact O-N 3.44Å; T1094-L1098 WeakPolarHBondContact O-CG 3.35Å; T1094-L1098 PolarHBondContact O-N 3.44Å; T1094-L1137 HydrophobicContact CG2-CB 4.15Å; T1094-L1137 HydrophobicContact CG2-CD2 4.49Å
1095	L	89.8	Confident	81.9	Confident	6 Å²	6	39.9 Å²	39.9	3%	0.031	22%	0.218	C	C	.	.	H	α-helix	trans	-65.9	-38.7	176.2	-69.5	175.5	0	0	0	112.1	L1091 E1092 K1097 L1098 A1099 L1177 I1178 W1181 L1198	L1091-L1095 HydrophobicContact CD1-CD1 4.21Å; L1091-L1095 HydrophobicContact CD1-CD2 4.48Å; L1091-L1095 HydrophobicContact CD1-CG 4.03Å; L1091-L1095 HydrophobicContact CG-CD1 3.96Å; L1091-L1095 HydrophobicContact CG-CG 4.24Å; L1091-L1095 WeakPolarHBondContact O-CG 3.4Å; L1091-L1095 PolarHBondContact O-N 3.48Å; E1092-L1095 PolarHBondContact O-N 2.66Å; L1095-K1097 VanDerWaalsContact C-N 3.34Å; L1095-L1098 HydrophobicContact CD2-CD1 4.33Å; L1095-L1098 CarbonylContact O-C 3.56Å; L1095-L1098 WeakPolarHBondContact O-CB 3.41Å; L1095-L1098 PolarHBondContact O-N 2.87Å; L1095-A1099 PolarHBondContact O-N 3.01Å; L1095-L1177 HydrophobicContact CD1-CB 4.11Å; L1095-I1178 HydrophobicContact CD1-CG1 4.47Å; L1095-W1181 HydrophobicContact CB-CG 4.18Å; L1095-W1181 HydrophobicContact CD1-CB 4.13Å; L1095-W1181 HydrophobicContact CD1-CG 4.29Å; L1095-W1181 HydrophobicContact CD2-CD2 4.17Å; L1095-W1181 HydrophobicContact CD2-CG 4.1Å; L1095-W1181 HydrophobicContact CG-CG 4.43Å; L1095-W1181 PolarHBondContact O-NE1 3.38Å; L1095-L1198 HydrophobicContact CD2-CD2 3.72Å
1096	V	86.6	Confident	80.7	Confident	87 Å²	87	40.2 Å²	40.2	53%	0.527	23%	0.225	S	C	.	.	H	α-helix	trans	-65	-38	173.4	169.7	0	0	0	0	111.3	E1092 L1098 A1099	E1092-V1096 VanDerWaalsContact O-CG2 3.3Å; E1092-V1096 WeakPolarHBondContact O-CG2 3.36Å; E1092-V1096 PolarHBondContact O-N 3.26Å; V1096-L1098 VanDerWaalsContact C-N 3.34Å; V1096-A1099 WeakPolarHBondContact O-CB 3.47Å; V1096-A1099 PolarHBondContact O-N 3.23Å
1097	K	85.1	Confident	79.3	Confident	63 Å²	63	44 Å²	44	27%	0.274	25%	0.245	S	C	.	.	H	α-helix	trans	-65.5	-39.2	172.4	-71.3	169.9	-171.3	176.3	0	111.4	S1093 T1094 L1095 A1099 R1100 L1137	S1093-K1097 VanDerWaalsContact O-CG 3.28Å; S1093-K1097 WeakPolarHBondContact O-CG 3.29Å; S1093-K1097 PolarHBondContact O-N 2.99Å; T1094-K1097 WeakPolarHBondContact O-CB 3.35Å; T1094-K1097 PolarHBondContact O-N 3.44Å; L1095-K1097 VanDerWaalsContact C-N 3.34Å; K1097-A1099 VanDerWaalsContact C-N 3.34Å; K1097-R1100 WeakPolarHBondContact O-CB 3.16Å; K1097-R1100 WeakPolarHBondContact O-CG 3.4Å; K1097-R1100 PolarHBondContact O-N 3.37Å; K1097-L1137 HydrophobicContact CB-CD1 4.06Å; K1097-L1137 HydrophobicContact CB-CD2 4.31Å; K1097-L1137 HydrophobicContact CD-CD2 3.83Å
1098	L	84.1	Confident	77.6	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.5	-34.7	174.4	-72.7	171.7	0	0	0	112.3	T1094 L1095 V1096 R1100 Y1101 L1137 W1181 Y1193 Q1194 C1197 L1198	T1094-L1098 WeakPolarHBondContact O-CG 3.35Å; T1094-L1098 PolarHBondContact O-N 3.44Å; L1095-L1098 HydrophobicContact CD2-CD1 4.33Å; L1095-L1098 CarbonylContact O-C 3.56Å; L1095-L1098 WeakPolarHBondContact O-CB 3.41Å; L1095-L1098 PolarHBondContact O-N 2.87Å; V1096-L1098 VanDerWaalsContact C-N 3.34Å; L1098-R1100 PolarHBondContact O-N 3.43Å; L1098-R1100 VanDerWaalsContact O-N 3.1Å; L1098-Y1101 WeakPolarHBondContact O-CB 3.26Å; L1098-Y1101 WeakPolarHBondContact O-CD2 3.23Å; L1098-Y1101 PolarHBondContact O-N 2.73Å; L1098-L1137 HydrophobicContact CD2-CB 4.45Å; L1098-L1137 HydrophobicContact CD2-CD1 3.98Å; L1098-L1137 HydrophobicContact CG-CD1 4.33Å; L1098-W1181 HydrophobicContact CB-CZ2 4.12Å; L1098-Y1193 HydrophobicContact CD2-CD1 4.3Å; L1098-Y1193 HydrophobicContact CD2-CE1 4.09Å; L1098-Q1194 HydrophobicContact CB-CG 4.41Å; L1098-Q1194 HydrophobicContact CD2-CG 4.46Å; L1098-Q1194 PolarHBondContact O-NE2 2.99Å; L1098-C1197 HydrophobicContact CD1-CB 4.08Å; L1098-C1197 HydrophobicContact CD2-CB 3.7Å; L1098-L1198 HydrophobicContact CD1-CD2 4.13Å; L1098-L1198 HydrophobicContact CD1-CG 4.33Å
1099	A	83.6	Confident	76	Confident	17 Å²	17	47.4 Å²	47.4	14%	0.14	27%	0.267	C	S	.	.	H	α-helix	trans	-61.4	-18.4	176.1	0	0	0	0	0	113.7	L1095 V1096 K1097 Y1101 D1102 W1181	L1095-A1099 PolarHBondContact O-N 3.01Å; V1096-A1099 WeakPolarHBondContact O-CB 3.47Å; V1096-A1099 PolarHBondContact O-N 3.23Å; K1097-A1099 VanDerWaalsContact C-N 3.34Å; A1099-Y1101 PolarHBondContact O-N 2.85Å; A1099-D1102 WeakPolarHBondContact O-CB 3.36Å; A1099-D1102 PolarHBondContact O-N 2.91Å; A1099-D1102 VanDerWaalsContact O-N 3.15Å; A1099-W1181 HydrophobicContact CB-CZ2 4.33Å
1100	R	79.3	Confident	74.4	Confident	130 Å²	130	53 Å²	53	49%	0.491	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-18	173.6	-61.7	179.3	-179.7	178.6	-2.1	113	K1097 L1098 G1108 L1111	K1097-R1100 WeakPolarHBondContact O-CB 3.16Å; K1097-R1100 WeakPolarHBondContact O-CG 3.4Å; K1097-R1100 PolarHBondContact O-N 3.37Å; L1098-R1100 PolarHBondContact O-N 3.43Å; L1098-R1100 VanDerWaalsContact O-N 3.1Å; R1100-G1108 WeakPolarHBondContact O-CA 3.3Å; R1100-G1108 PolarHBondContact O-N 2.85Å; R1100-G1108 VanDerWaalsContact O-N 3.17Å; R1100-L1111 HydrophobicContact CB-CD1 4.04Å
1101	Y	77.8	Confident	72.6	Confident	28 Å²	28	55.4 Å²	55.4	11%	0.11	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	5.6	178	-59.4	-93.9	0	0	0	113	L1098 A1099 L1111 V1115 Y1193	L1098-Y1101 WeakPolarHBondContact O-CB 3.26Å; L1098-Y1101 WeakPolarHBondContact O-CD2 3.23Å; L1098-Y1101 PolarHBondContact O-N 2.73Å; A1099-Y1101 PolarHBondContact O-N 2.85Å; Y1101-L1111 HydrophobicContact CD1-CB 4.11Å; Y1101-L1111 HydrophobicContact CE1-CB 3.7Å; Y1101-L1111 HydrophobicContact CE1-CD1 4.41Å; Y1101-V1115 HydrophobicContact CE1-CG2 3.8Å; Y1101-Y1193 AromaticContact CD1-CD1 3.9Å; Y1101-Y1193 HydrophobicContact CD1-CD1 3.9Å; Y1101-Y1193 AromaticContact CD2-CD1 3.87Å; Y1101-Y1193 HydrophobicContact CD2-CD1 3.87Å; Y1101-Y1193 HydrophobicContact CD2-CE1 4.17Å; Y1101-Y1193 AromaticContact CE1-CD1 3.69Å; Y1101-Y1193 HydrophobicContact CE1-CD1 3.69Å; Y1101-Y1193 HydrophobicContact CE1-CE1 4.1Å; Y1101-Y1193 HydrophobicContact CE1-CG 4.37Å; Y1101-Y1193 AromaticContact CE2-CD1 3.66Å; Y1101-Y1193 HydrophobicContact CE2-CD1 3.66Å; Y1101-Y1193 AromaticContact CE2-CE1 3.55Å; Y1101-Y1193 HydrophobicContact CE2-CE1 3.55Å; Y1101-Y1193 AromaticContact CG-CD1 3.99Å; Y1101-Y1193 HydrophobicContact CG-CD1 3.99Å; Y1101-Y1193 AromaticContact CZ-CD1 3.56Å; Y1101-Y1193 AromaticContact CZ-CE1 3.5Å
1102	D	76.8	Confident	70.9	Confident	16 Å²	16	57.2 Å²	57.2	9%	0.086	32%	0.321	C	S	.	.	S	Bend	trans	-60.2	137.6	175.7	-71.9	-18	0	0	0	110.5	A1099 G1104 N1105 R1185 Q1194	A1099-D1102 WeakPolarHBondContact O-CB 3.36Å; A1099-D1102 PolarHBondContact O-N 2.91Å; A1099-D1102 VanDerWaalsContact O-N 3.15Å; D1102-G1104 PolarHBondContact O-N 3.29Å; D1102-N1105 VanDerWaalsContact O-CB 3.31Å; D1102-N1105 WeakPolarHBondContact O-CB 3.25Å; D1102-N1105 PolarHBondContact O-N 3.16Å; D1102-N1105 VanDerWaalsContact O-N 3.15Å; D1102-R1185 VanDerWaalsContact CG-NE 3.32Å; D1102-R1185 IonicContact OD1-CZ 3.35Å; D1102-R1185 IonicContact OD1-NE 3.36Å; D1102-R1185 PolarHBondContact OD1-NE 3.36Å; D1102-R1185 IonicContact OD2-CZ 2.82Å; D1102-R1185 IonicContact OD2-NE 3.83Å; D1102-R1185 PolarHBondContact OD2-NE 3.2Å; D1102-R1185 IonicContact OD2-NH2 3.98Å; D1102-R1185 PolarHBondContact OD2-NH2 2.76Å; D1102-Q1194 PolarHBondContact OD1-NE2 3.41Å
1103	E	65.9	Low	69	Low	114 Å²	114	57.9 Å²	57.9	53%	0.533	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	132.7	173.8	-70.6	-173.2	-167.3	0	0	110.9	S1189	E1103-S1189 PolarHBondContact OE1-OG 2.81Å; E1103-S1189 PolarHBondContact OE2-OG 2.9Å
1104	G	65	Low	67.2	Low	78 Å²	78	58.2 Å²	58.2	80%	0.804	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.8	-10	-174.4	0	0	0	0	0	115.3	D1102	D1102-G1104 PolarHBondContact O-N 3.29Å
1105	N	61.4	Low	65.6	Low	48 Å²	48	59.4 Å²	59.4	26%	0.257	34%	0.338	S	S	.	.			trans	-77.9	123.1	171.6	-167.3	-21.9	0	0	0	109.8	D1102 I1107 G1108 T1109	D1102-N1105 VanDerWaalsContact O-CB 3.31Å; D1102-N1105 WeakPolarHBondContact O-CB 3.25Å; D1102-N1105 PolarHBondContact O-N 3.16Å; D1102-N1105 VanDerWaalsContact O-N 3.15Å; N1105-I1107 PolarHBondContact O-N 3.33Å; N1105-I1107 VanDerWaalsContact O-N 3.09Å; N1105-I1107 PolarHBondContact OD1-N 2.84Å; N1105-G1108 WeakPolarHBondContact O-CA 3.46Å; N1105-G1108 PolarHBondContact O-N 3.07Å; N1105-T1109 PolarHBondContact O-N 2.91Å
1106	P	56	Low	63.7	Low	100 Å²	100	62.7 Å²	62.7	65%	0.649	36%	0.362	S	S	*	.	H	α-helix	trans	-58.7	-28.3	-178.3	22.1	-33.6	0	0	0	112.7
1107	I	52.2	Low	61.7	Low	92 Å²	92	65 Å²	65	47%	0.472	37%	0.365	S	S	.	.	H	α-helix	trans	-75.1	-34.8	175.1	-56.3	176.3	0	0	0	110.7	N1105 T1109 I1110 L1111	N1105-I1107 PolarHBondContact O-N 3.33Å; N1105-I1107 VanDerWaalsContact O-N 3.09Å; N1105-I1107 PolarHBondContact OD1-N 2.84Å; I1107-T1109 PolarHBondContact O-N 3.39Å; I1107-I1110 PolarHBondContact O-N 2.91Å; I1107-L1111 HydrophobicContact CG2-CD1 3.53Å; I1107-L1111 HydrophobicContact CG2-CG 3.86Å; I1107-L1111 WeakPolarHBondContact O-CB 3.41Å; I1107-L1111 WeakPolarHBondContact O-CG 3.07Å; I1107-L1111 PolarHBondContact O-N 3.09Å
1108	G	50	Low	59.9	Low	3 Å²	3	66.6 Å²	66.6	3%	0.031	38%	0.375	C	S	.	.	H	α-helix	trans	-67.6	-34.3	-175.5	0	0	0	0	0	114	R1100 N1105 S1112	R1100-G1108 WeakPolarHBondContact O-CA 3.3Å; R1100-G1108 PolarHBondContact O-N 2.85Å; R1100-G1108 VanDerWaalsContact O-N 3.17Å; N1105-G1108 WeakPolarHBondContact O-CA 3.46Å; N1105-G1108 PolarHBondContact O-N 3.07Å; G1108-S1112 WeakPolarHBondContact O-CB 3.44Å; G1108-S1112 PolarHBondContact O-N 3.27Å; G1108-S1112 PolarHBondContact O-OG 3.49Å
1109	T	55	Low	58.1	Low	86 Å²	86	72 Å²	72	53%	0.528	40%	0.4	S	S	.	.	H	α-helix	trans	-68.1	-43.2	174	-36.3	0	0	0	0	111.1	N1105 I1107 I1113	N1105-T1109 PolarHBondContact O-N 2.91Å; I1107-T1109 PolarHBondContact O-N 3.39Å; T1109-I1113 HydrophobicContact CG2-CD1 4.4Å; T1109-I1113 WeakPolarHBondContact O-CB 3.27Å; T1109-I1113 WeakPolarHBondContact O-CD1 3.37Å; T1109-I1113 WeakPolarHBondContact O-CG1 3.18Å; T1109-I1113 PolarHBondContact O-N 3.42Å; T1109-I1113 VanDerWaalsContact O-N 3.09Å
1110	I	52.6	Low	56.2	Low	120 Å²	120	74 Å²	74	62%	0.615	41%	0.413	S	S	*	.	H	α-helix	trans	-66.3	-43.8	177.5	-61.4	171.8	0	0	0	110.7	I1107 A1114	I1107-I1110 PolarHBondContact O-N 2.91Å; I1110-A1114 WeakPolarHBondContact O-CB 3.47Å; I1110-A1114 PolarHBondContact O-N 3.31Å
1111	L	50.7	Low	54.5	Low	50 Å²	50	71.3 Å²	71.3	26%	0.262	41%	0.408	S	S	.	.	H	α-helix	trans	-71	-40	180	-74.2	178.5	0	0	0	112.7	R1100 Y1101 I1107 I1113 A1114 V1115	R1100-L1111 HydrophobicContact CB-CD1 4.04Å; Y1101-L1111 HydrophobicContact CD1-CB 4.11Å; Y1101-L1111 HydrophobicContact CE1-CB 3.7Å; Y1101-L1111 HydrophobicContact CE1-CD1 4.41Å; I1107-L1111 HydrophobicContact CG2-CD1 3.53Å; I1107-L1111 HydrophobicContact CG2-CG 3.86Å; I1107-L1111 WeakPolarHBondContact O-CB 3.41Å; I1107-L1111 WeakPolarHBondContact O-CG 3.07Å; I1107-L1111 PolarHBondContact O-N 3.09Å; L1111-I1113 VanDerWaalsContact C-N 3.32Å; L1111-A1114 CarbonylContact O-C 3.6Å; L1111-A1114 PolarHBondContact O-N 3.04Å; L1111-A1114 VanDerWaalsContact O-N 3.17Å; L1111-V1115 WeakPolarHBondContact O-CB 3.39Å; L1111-V1115 VanDerWaalsContact O-CG2 3.31Å; L1111-V1115 WeakPolarHBondContact O-CG2 3.45Å; L1111-V1115 PolarHBondContact O-N 2.72Å
1112	S	52.4	Low	52.7	Low	39 Å²	39	73.7 Å²	73.7	27%	0.273	43%	0.428	S	S	.	.	H	α-helix	trans	-63.8	-40.1	175.4	-64.1	0	0	0	0	111	G1108 V1115 S1116	G1108-S1112 WeakPolarHBondContact O-CB 3.44Å; G1108-S1112 PolarHBondContact O-N 3.27Å; G1108-S1112 PolarHBondContact O-OG 3.49Å; S1112-V1115 PolarHBondContact O-N 2.67Å; S1112-S1116 PolarHBondContact O-N 2.7Å; S1112-S1116 PolarHBondContact O-OG 3.09Å
1113	I	49.7	Very low	51	Low	105 Å²	105	79.5 Å²	79.5	54%	0.538	46%	0.458	S	S	.	.	H	α-helix	trans	-61.2	-47.5	170	-68	165.8	0	0	0	110.1	T1109 L1111 V1115 S1116 F1117	T1109-I1113 HydrophobicContact CG2-CD1 4.4Å; T1109-I1113 WeakPolarHBondContact O-CB 3.27Å; T1109-I1113 WeakPolarHBondContact O-CD1 3.37Å; T1109-I1113 WeakPolarHBondContact O-CG1 3.18Å; T1109-I1113 PolarHBondContact O-N 3.42Å; T1109-I1113 VanDerWaalsContact O-N 3.09Å; L1111-I1113 VanDerWaalsContact C-N 3.32Å; I1113-V1115 VanDerWaalsContact C-N 3.32Å; I1113-V1115 PolarHBondContact O-N 2.85Å; I1113-S1116 PolarHBondContact O-N 3.09Å; I1113-F1117 VanDerWaalsContact O-CB 3.23Å; I1113-F1117 WeakPolarHBondContact O-CB 3.35Å; I1113-F1117 PolarHBondContact O-N 3.27Å
1114	A	50.1	Low	49.5	Very low	40 Å²	40	82.8 Å²	82.8	33%	0.331	47%	0.47	S	S	.	.	H	α-helix	trans	-62.8	-35.2	179.3	0	0	0	0	0	113	I1110 L1111 M1118	I1110-A1114 WeakPolarHBondContact O-CB 3.47Å; I1110-A1114 PolarHBondContact O-N 3.31Å; L1111-A1114 CarbonylContact O-C 3.6Å; L1111-A1114 PolarHBondContact O-N 3.04Å; L1111-A1114 VanDerWaalsContact O-N 3.17Å; A1114-M1118 VanDerWaalsContact O-CB 3.29Å; A1114-M1118 WeakPolarHBondContact O-CB 3.31Å; A1114-M1118 PolarHBondContact O-N 3.14Å
1115	V	54.2	Low	47.8	Very low	25 Å²	25	86.1 Å²	86.1	15%	0.152	47%	0.465	C	S	.	.	H	α-helix	trans	-70.3	-45.1	175.2	170.8	0	0	0	0	110.8	Y1101 L1111 S1112 I1113 M1118 Q1119 Y1193	Y1101-V1115 HydrophobicContact CE1-CG2 3.8Å; L1111-V1115 WeakPolarHBondContact O-CB 3.39Å; L1111-V1115 VanDerWaalsContact O-CG2 3.31Å; L1111-V1115 WeakPolarHBondContact O-CG2 3.45Å; L1111-V1115 PolarHBondContact O-N 2.72Å; S1112-V1115 PolarHBondContact O-N 2.67Å; I1113-V1115 VanDerWaalsContact C-N 3.32Å; I1113-V1115 PolarHBondContact O-N 2.85Å; V1115-M1118 PolarHBondContact O-N 3.23Å; V1115-Q1119 WeakPolarHBondContact O-CB 3.37Å; V1115-Q1119 WeakPolarHBondContact O-CG 3.42Å; V1115-Q1119 PolarHBondContact O-N 2.8Å; V1115-Y1193 HydrophobicContact CG1-CD2 4.03Å; V1115-Y1193 HydrophobicContact CG1-CG 4.45Å
1116	S	49.3	Very low	46.4	Very low	76 Å²	76	95.5 Å²	95.5	53%	0.531	50%	0.497	S	S	.	.	H	α-helix	trans	-65.6	-36	173.4	-72.7	0	0	0	0	112.6	S1112 I1113 S1120	S1112-S1116 PolarHBondContact O-N 2.7Å; S1112-S1116 PolarHBondContact O-OG 3.09Å; I1113-S1116 PolarHBondContact O-N 3.09Å; S1116-S1120 WeakPolarHBondContact O-CB 3.45Å; S1116-S1120 PolarHBondContact O-N 2.77Å; S1116-S1120 PolarHBondContact O-OG 3.17Å
1117	F	45.7	Very low	45.1	Very low	134 Å²	134	96.8 Å²	96.8	59%	0.588	50%	0.503	S	S	*	.	H	α-helix	trans	-70.6	-39	175.7	-143.1	-95.1	0	0	0	111	I1113 S1120 I1121	I1113-F1117 VanDerWaalsContact O-CB 3.23Å; I1113-F1117 WeakPolarHBondContact O-CB 3.35Å; I1113-F1117 PolarHBondContact O-N 3.27Å; F1117-S1120 WeakPolarHBondContact CA-OG 3.36Å; F1117-S1120 PolarHBondContact O-N 3.45Å; F1117-S1120 PolarHBondContact O-OG 3.19Å; F1117-I1121 HydrophobicContact CD1-CD1 3.56Å; F1117-I1121 HydrophobicContact CD1-CG1 4.26Å; F1117-I1121 HydrophobicContact CE1-CD1 3.88Å; F1117-I1121 WeakPolarHBondContact O-CB 3.39Å; F1117-I1121 VanDerWaalsContact O-CG1 3.22Å; F1117-I1121 WeakPolarHBondContact O-CG1 3.26Å; F1117-I1121 PolarHBondContact O-N 3.33Å
1118	M	46.1	Very low	44.2	Very low	98 Å²	98	102.2 Å²	102.2	48%	0.483	53%	0.527	S	S	.	.	H	α-helix	trans	-68.8	-39	172.3	-101.1	-164.1	-87.7	0	0	112.9	A1114 V1115 S1120 I1121 S1122 P1134	A1114-M1118 VanDerWaalsContact O-CB 3.29Å; A1114-M1118 WeakPolarHBondContact O-CB 3.31Å; A1114-M1118 PolarHBondContact O-N 3.14Å; V1115-M1118 PolarHBondContact O-N 3.23Å; M1118-S1120 VanDerWaalsContact C-N 3.28Å; M1118-S1120 PolarHBondContact O-N 3.48Å; M1118-I1121 PolarHBondContact O-N 3.27Å; M1118-S1122 WeakPolarHBondContact O-CB 3.19Å; M1118-S1122 PolarHBondContact O-N 3.03Å; M1118-S1122 PolarHBondContact O-OG 3.48Å; M1118-P1134 HydrophobicContact SD-CB 4.11Å; M1118-P1134 HydrophobicContact SD-CG 4.32Å
1119	Q	47.4	Very low	43.3	Very low	113 Å²	113	106.1 Å²	106.1	53%	0.528	56%	0.559	S	S	.	*	H	α-helix	trans	-65.4	-31.3	174.3	-83.1	179.2	-25	0	0	112.2	V1115 S1122	V1115-Q1119 WeakPolarHBondContact O-CB 3.37Å; V1115-Q1119 WeakPolarHBondContact O-CG 3.42Å; V1115-Q1119 PolarHBondContact O-N 2.8Å; Q1119-S1122 PolarHBondContact O-OG 2.92Å
1120	S	42.9	Very low	42.2	Very low	58 Å²	58	112.5 Å²	112.5	41%	0.406	58%	0.579	S	S	.	*	H	α-helix	trans	-78.9	-32.1	173.2	49.5	0	0	0	0	113	S1116 F1117 M1118 I1123	S1116-S1120 WeakPolarHBondContact O-CB 3.45Å; S1116-S1120 PolarHBondContact O-N 2.77Å; S1116-S1120 PolarHBondContact O-OG 3.17Å; F1117-S1120 WeakPolarHBondContact CA-OG 3.36Å; F1117-S1120 PolarHBondContact O-N 3.45Å; F1117-S1120 PolarHBondContact O-OG 3.19Å; M1118-S1120 VanDerWaalsContact C-N 3.28Å; M1118-S1120 PolarHBondContact O-N 3.48Å; S1120-I1123 PolarHBondContact O-N 2.89Å
1121	I	43.9	Very low	41.1	Very low	75 Å²	75	110.5 Å²	110.5	39%	0.385	58%	0.581	S	S	.	*	H	α-helix	trans	-70.8	-34.6	173.1	-69.6	167.7	0	0	0	111.8	F1117 M1118 I1123 F1124 Q1125	F1117-I1121 HydrophobicContact CD1-CD1 3.56Å; F1117-I1121 HydrophobicContact CD1-CG1 4.26Å; F1117-I1121 HydrophobicContact CE1-CD1 3.88Å; F1117-I1121 WeakPolarHBondContact O-CB 3.39Å; F1117-I1121 VanDerWaalsContact O-CG1 3.22Å; F1117-I1121 WeakPolarHBondContact O-CG1 3.26Å; F1117-I1121 PolarHBondContact O-N 3.33Å; M1118-I1121 PolarHBondContact O-N 3.27Å; I1121-I1123 PolarHBondContact O-N 2.84Å; I1121-F1124 PolarHBondContact O-N 3.28Å; I1121-Q1125 PolarHBondContact O-N 2.84Å
1122	S	38.8	Very low	40.2	Very low	77 Å²	77	113.7 Å²	113.7	54%	0.538	60%	0.604	S	S	.	*	H	α-helix	trans	-68.3	-16.5	176.5	61.8	0	0	0	0	113.4	M1118 Q1119 F1124	M1118-S1122 WeakPolarHBondContact O-CB 3.19Å; M1118-S1122 PolarHBondContact O-N 3.03Å; M1118-S1122 PolarHBondContact O-OG 3.48Å; Q1119-S1122 PolarHBondContact O-OG 2.92Å; S1122-F1124 VanDerWaalsContact C-N 3.33Å
1123	I	42.1	Very low	39.5	Very low	138 Å²	138	116.2 Å²	116.2	71%	0.708	62%	0.622	S	S	*	*	H	α-helix	trans	-75.7	-23	168.5	-63.7	171.2	0	0	0	111.4	S1120 I1121	S1120-I1123 PolarHBondContact O-N 2.89Å; I1121-I1123 PolarHBondContact O-N 2.84Å
1124	F	35	Very low	39.2	Very low	183 Å²	183	114.7 Å²	114.7	80%	0.803	62%	0.619	S	S	*	*	H	α-helix	trans	-103.7	-9.9	-174.2	-98.9	-83.3	0	0	0	116.5	I1121 S1122	I1121-F1124 PolarHBondContact O-N 3.28Å; S1122-F1124 VanDerWaalsContact C-N 3.33Å
1125	Q	27.8	Very low	39.3	Very low	148 Å²	148	117.2 Å²	117.2	69%	0.692	63%	0.631	S	S	*	*			trans	-108.7	83.4	176.8	-81.1	-179.7	-24.9	0	0	112.3	I1121	I1121-Q1125 PolarHBondContact O-N 2.84Å
1126	R	32.6	Very low	40.3	Very low	245 Å²	245	117.8 Å²	117.8	93%	0.925	63%	0.631	S	S	*	*			trans	-98	58.1	170	-152.5	-174.9	-136.7	178.5	5.4	110.3
1127	T	29.2	Very low	41.8	Very low	128 Å²	128	115.3 Å²	115.3	79%	0.785	61%	0.612	S	S	*	*	S	Bend	trans	-143.5	143.5	166.9	49.6	0	0	0	0	111.5	A1129	T1127-A1129 PolarHBondContact O-N 3.14Å
1128	Q	32.1	Very low	43.7	Very low	205 Å²	205	109 Å²	109	96%	0.958	58%	0.584	S	S	*	*	S	Bend	trans	-75	99.9	-157	-62.3	175	0.7	0	0	113.3
1129	A	31.6	Very low	45.6	Very low	86 Å²	86	108.1 Å²	108.1	71%	0.711	58%	0.579	S	S	*	*	S	Bend	trans	-154.8	126.5	145.3	0	0	0	0	0	105	T1127 A1131	T1127-A1129 PolarHBondContact O-N 3.14Å; A1129-A1131 PolarHBondContact O-N 3.43Å
1130	K	31.9	Very low	47.5	Very low	219 Å²	219	104.1 Å²	104.1	95%	0.952	56%	0.564	S	S	*	*			trans	-64.2	74.8	-179	-77.3	178.4	175	176.7	0	110.1
1131	A	29.5	Very low	49.7	Very low	79 Å²	79	101.4 Å²	101.4	65%	0.653	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-61.8	131.2	156	0	0	0	0	0	106.2	A1129 S1133	A1129-A1131 PolarHBondContact O-N 3.43Å; A1131-S1133 PolarHBondContact O-N 2.83Å
1132	P	31.8	Very low	51.8	Low	116 Å²	116	98 Å²	98	75%	0.753	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-59.1	119.9	-176.4	25.3	-32.9	0	0	0	107.7
1133	S	38.4	Very low	54.1	Low	92 Å²	92	98.1 Å²	98.1	64%	0.643	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-50	137.3	163.9	52.7	0	0	0	0	106.9	A1131 T1135	A1131-S1133 PolarHBondContact O-N 2.83Å; S1133-T1135 VanDerWaalsContact C-N 3.33Å; S1133-T1135 PolarHBondContact O-N 3.33Å
1134	P	42.9	Very low	56.4	Low	74 Å²	74	91.8 Å²	91.8	48%	0.481	49%	0.489	S	S	.	.			trans	-56.6	104.4	179.9	20.7	-29.4	0	0	0	107.1	M1118 H1136	M1118-P1134 HydrophobicContact SD-CB 4.11Å; M1118-P1134 HydrophobicContact SD-CG 4.32Å; P1134-H1136 PolarHBondContact O-N 2.65Å
1135	T	52.6	Low	58.9	Low	93 Å²	93	83.5 Å²	83.5	57%	0.571	45%	0.453	S	S	*	.			trans	-56	108.8	-171.4	41.5	0	0	0	0	107.1	S1133 L1137	S1133-T1135 VanDerWaalsContact C-N 3.33Å; S1133-T1135 PolarHBondContact O-N 3.33Å; T1135-L1137 PolarHBondContact O-N 2.91Å
1136	H	73.6	Confident	61.7	Low	36 Å²	36	80.9 Å²	80.9	17%	0.167	44%	0.437	C	S	.	.			trans	-62.9	114.3	177	-175.2	-98.8	0	0	0	107	P1134 G1138 H1139 S1140 T1196 C1197	P1134-H1136 PolarHBondContact O-N 2.65Å; H1136-G1138 PolarHBondContact O-N 2.97Å; H1136-H1139 HydrophobicContact CB-CB 4.36Å; H1136-H1139 AromaticContact CG-CD2 3.76Å; H1136-H1139 AromaticContact ND1-CD2 3.39Å; H1136-H1139 PolarHBondContact ND1-CD2 3.3Å; H1136-H1139 WeakPolarHBondContact O-CB 3.26Å; H1136-H1139 PolarHBondContact O-N 2.83Å; H1136-S1140 PolarHBondContact O-N 2.93Å; H1136-T1196 VanDerWaalsContact CE1-C 3.49Å; H1136-T1196 PolarHBondContact CE1-O 3.49Å; H1136-T1196 VanDerWaalsContact NE2-CG2 3.25Å; H1136-T1196 WeakPolarHBondContact NE2-CG2 3.27Å; H1136-C1197 WeakPolarHBondContact CE1-CA 3.34Å; H1136-C1197 PolarHBondContact CE1-N 3.16Å; H1136-C1197 VanDerWaalsContact CE1-SG 3.52Å; H1136-C1197 PolarHBondContact NE2-N 3.29Å; H1136-C1197 PolarHBondContact NE2-SG 3.4Å; H1136-C1197 VanDerWaalsContact NE2-SG 3.4Å
1137	L	82.3	Confident	64.2	Low	25 Å²	25	73.1 Å²	73.1	13%	0.131	41%	0.413	C	S	.	.	H	α-helix	trans	-49.5	-35.5	-174.3	-80.4	159.8	0	0	0	112.2	T1094 K1097 L1098 T1135 Y1141 Y1193	T1094-L1137 HydrophobicContact CG2-CB 4.15Å; T1094-L1137 HydrophobicContact CG2-CD2 4.49Å; K1097-L1137 HydrophobicContact CB-CD1 4.06Å; K1097-L1137 HydrophobicContact CB-CD2 4.31Å; K1097-L1137 HydrophobicContact CD-CD2 3.83Å; L1098-L1137 HydrophobicContact CD2-CB 4.45Å; L1098-L1137 HydrophobicContact CD2-CD1 3.98Å; L1098-L1137 HydrophobicContact CG-CD1 4.33Å; T1135-L1137 PolarHBondContact O-N 2.91Å; L1137-Y1141 WeakPolarHBondContact O-CB 3.47Å; L1137-Y1141 PolarHBondContact O-N 2.95Å; L1137-Y1141 VanDerWaalsContact O-N 3.1Å; L1137-Y1193 HydrophobicContact CD1-CE1 3.97Å; L1137-Y1193 PolarHBondContact N-OH 2.97Å
1138	G	85	Confident	66.9	Low	0 Å²	0	67.1 Å²	67.1	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-65.6	-36.5	175.5	0	0	0	0	0	114.9	H1136 V1142	H1136-G1138 PolarHBondContact O-N 2.97Å; G1138-V1142 VanDerWaalsContact O-CG2 3.31Å; G1138-V1142 WeakPolarHBondContact O-CG2 3.36Å; G1138-V1142 PolarHBondContact O-N 3.15Å; G1138-V1142 VanDerWaalsContact O-N 3.13Å
1139	H	86.2	Confident	69.3	Low	81 Å²	81	57.6 Å²	57.6	38%	0.375	33%	0.331	S	S	.	.	H	α-helix	trans	-66.8	-49.8	176.1	-83.8	-94.4	0	0	0	110.7	H1136 Y1141 V1142 D1143 Y1200	H1136-H1139 HydrophobicContact CB-CB 4.36Å; H1136-H1139 AromaticContact CG-CD2 3.76Å; H1136-H1139 AromaticContact ND1-CD2 3.39Å; H1136-H1139 PolarHBondContact ND1-CD2 3.3Å; H1136-H1139 WeakPolarHBondContact O-CB 3.26Å; H1136-H1139 PolarHBondContact O-N 2.83Å; H1139-Y1141 PolarHBondContact O-N 3.1Å; H1139-V1142 PolarHBondContact O-N 3.25Å; H1139-V1142 VanDerWaalsContact O-N 3.14Å; H1139-D1143 PolarHBondContact O-N 3.46Å; H1139-Y1200 HydrophobicContact CB-CE1 4.33Å; H1139-Y1200 AromaticContact CE1-CE1 3.95Å; H1139-Y1200 AromaticContact CE1-CE2 3.42Å; H1139-Y1200 VanDerWaalsContact CE1-CE2 3.42Å; H1139-Y1200 WeakPolarHBondContact CE1-CE2 3.37Å; H1139-Y1200 AromaticContact CE1-CZ 3.29Å; H1139-Y1200 PolarHBondContact CE1-OH 2.73Å; H1139-Y1200 AromaticContact CG-CE1 3.77Å; H1139-Y1200 AromaticContact CG-CZ 3.89Å; H1139-Y1200 AromaticContact ND1-CE1 3.69Å; H1139-Y1200 AromaticContact ND1-CE2 3.98Å; H1139-Y1200 AromaticContact ND1-CZ 3.36Å; H1139-Y1200 PolarHBondContact ND1-OH 2.72Å; H1139-Y1200 AromaticContact NE2-CD2 3.92Å; H1139-Y1200 AromaticContact NE2-CE2 3.64Å; H1139-Y1200 AromaticContact NE2-CZ 3.78Å
1140	S	86.7	Confident	71.7	Confident	29 Å²	29	57 Å²	57	20%	0.203	31%	0.314	C	S	.	.	H	α-helix	trans	-58.9	-36.8	179.3	-56.4	0	0	0	0	112.4	H1136 F1144	H1136-S1140 PolarHBondContact O-N 2.93Å; S1140-F1144 VanDerWaalsContact O-CB 3.25Å; S1140-F1144 WeakPolarHBondContact O-CB 3.44Å; S1140-F1144 PolarHBondContact O-N 2.98Å; S1140-F1144 VanDerWaalsContact O-N 3.1Å
1141	Y	89.9	Confident	74	Confident	1 Å²	1	48.6 Å²	48.6	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-69.5	-41.8	175.9	176.4	-97.6	0	0	0	113.5	V1090 L1091 L1137 H1139 F1144 M1145 Q1174 I1201	V1090-Y1141 HydrophobicContact CG1-CD2 4.25Å; V1090-Y1141 HydrophobicContact CG1-CE2 4.47Å; L1091-Y1141 VanDerWaalsContact CA-CE2 3.5Å; L1091-Y1141 HydrophobicContact CB-CD2 4.41Å; L1091-Y1141 HydrophobicContact CB-CE2 3.5Å; L1091-Y1141 WeakPolarHBondContact CB-OH 3.47Å; L1091-Y1141 HydrophobicContact CD1-CD1 4.31Å; L1091-Y1141 HydrophobicContact CD1-CD2 4.31Å; L1091-Y1141 HydrophobicContact CD1-CE1 3.88Å; L1091-Y1141 HydrophobicContact CD1-CE2 3.9Å; L1091-Y1141 HydrophobicContact CD1-CG 4.5Å; L1091-Y1141 HydrophobicContact CG-CE2 4.22Å; L1137-Y1141 WeakPolarHBondContact O-CB 3.47Å; L1137-Y1141 PolarHBondContact O-N 2.95Å; L1137-Y1141 VanDerWaalsContact O-N 3.1Å; H1139-Y1141 PolarHBondContact O-N 3.1Å; Y1141-F1144 HydrophobicContact CD2-CD1 4.03Å; Y1141-F1144 HydrophobicContact CE2-CD1 4.02Å; Y1141-F1144 HydrophobicContact CE2-CE1 4.24Å; Y1141-F1144 WeakPolarHBondContact O-CB 3.29Å; Y1141-F1144 PolarHBondContact O-N 2.82Å; Y1141-M1145 HydrophobicContact CE2-CE 4.24Å; Y1141-M1145 PolarHBondContact O-N 2.93Å; Y1141-M1145 WeakPolarHBondContact OH-CE 3.36Å; Y1141-Q1174 WeakPolarHBondContact OH-CG 3.38Å; Y1141-Q1174 PolarHBondContact OH-OE1 3.16Å; Y1141-I1201 HydrophobicContact CD1-CD1 4.14Å; Y1141-I1201 HydrophobicContact CD1-CG1 4.04Å; Y1141-I1201 HydrophobicContact CD1-CG2 4.04Å; Y1141-I1201 HydrophobicContact CE1-CG2 4.06Å
1142	V	88.3	Confident	76.5	Confident	4 Å²	4	45 Å²	45	2%	0.024	25%	0.248	C	C	.	.	H	α-helix	trans	-65.4	-45.3	178.2	168.1	0	0	0	0	110.7	G1138 H1139 F1144 M1145 R1146 Y1200 I1201 K1204	G1138-V1142 VanDerWaalsContact O-CG2 3.31Å; G1138-V1142 WeakPolarHBondContact O-CG2 3.36Å; G1138-V1142 PolarHBondContact O-N 3.15Å; G1138-V1142 VanDerWaalsContact O-N 3.13Å; H1139-V1142 PolarHBondContact O-N 3.25Å; H1139-V1142 VanDerWaalsContact O-N 3.14Å; V1142-F1144 VanDerWaalsContact C-N 3.32Å; V1142-F1144 PolarHBondContact O-N 3Å; V1142-M1145 PolarHBondContact O-N 2.97Å; V1142-R1146 HydrophobicContact CG1-CG 4.45Å; V1142-R1146 WeakPolarHBondContact O-CG 3.16Å; V1142-R1146 PolarHBondContact O-N 3.46Å; V1142-Y1200 HydrophobicContact CB-CE1 4Å; V1142-Y1200 HydrophobicContact CG1-CE1 4.37Å; V1142-Y1200 HydrophobicContact CG2-CD1 3.99Å; V1142-Y1200 HydrophobicContact CG2-CE1 3.79Å; V1142-I1201 HydrophobicContact CG2-CG1 4.4Å; V1142-K1204 HydrophobicContact CB-CB 4.34Å; V1142-K1204 HydrophobicContact CG1-CB 3.7Å; V1142-K1204 HydrophobicContact CG1-CG 3.93Å; V1142-K1204 HydrophobicContact CG2-CB 3.64Å; V1142-K1204 HydrophobicContact CG2-CG 4.1Å
1143	D	86.9	Confident	78.8	Confident	78 Å²	78	46.4 Å²	46.4	42%	0.417	24%	0.238	S	C	.	.	H	α-helix	trans	-61.5	-43.5	178.2	-69.5	-22.9	0	0	0	111.1	H1139 M1145 R1146 I1147	H1139-D1143 PolarHBondContact O-N 3.46Å; D1143-M1145 PolarHBondContact O-N 3.43Å; D1143-R1146 PolarHBondContact O-N 3.17Å; D1143-I1147 VanDerWaalsContact O-CG1 3.28Å; D1143-I1147 WeakPolarHBondContact O-CG1 3.15Å; D1143-I1147 PolarHBondContact O-N 2.9Å
1144	F	89.3	Confident	80.8	Confident	6 Å²	6	47.4 Å²	47.4	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-51.4	-52.5	171.1	158.8	-110.4	0	0	0	112.7	T1034 Y1036 L1087 V1090 S1140 Y1141 V1142 I1147 S1148	T1034-F1144 WeakPolarHBondContact O-CB 3.38Å; Y1036-F1144 AromaticContact CD1-CE2 3.72Å; Y1036-F1144 HydrophobicContact CD1-CE2 3.72Å; Y1036-F1144 HydrophobicContact CD1-CZ 4.14Å; Y1036-F1144 HydrophobicContact CG-CE2 4.34Å; Y1036-F1144 WeakPolarHBondContact O-CD2 3.37Å; Y1036-F1144 WeakPolarHBondContact O-CE2 3.4Å; L1087-F1144 HydrophobicContact CD2-CE1 4.49Å; L1087-F1144 HydrophobicContact CD2-CE2 4.32Å; L1087-F1144 HydrophobicContact CD2-CZ 3.63Å; V1090-F1144 HydrophobicContact CB-CD1 4.19Å; V1090-F1144 HydrophobicContact CB-CE1 3.55Å; V1090-F1144 HydrophobicContact CB-CZ 3.86Å; V1090-F1144 HydrophobicContact CG1-CD1 3.64Å; V1090-F1144 HydrophobicContact CG1-CE1 3.54Å; V1090-F1144 HydrophobicContact CG1-CG 4.19Å; V1090-F1144 HydrophobicContact CG1-CZ 4.03Å; V1090-F1144 HydrophobicContact CG2-CE1 3.89Å; V1090-F1144 HydrophobicContact CG2-CE2 4.25Å; V1090-F1144 HydrophobicContact CG2-CZ 3.61Å; S1140-F1144 VanDerWaalsContact O-CB 3.25Å; S1140-F1144 WeakPolarHBondContact O-CB 3.44Å; S1140-F1144 PolarHBondContact O-N 2.98Å; S1140-F1144 VanDerWaalsContact O-N 3.1Å; Y1141-F1144 HydrophobicContact CD2-CD1 4.03Å; Y1141-F1144 HydrophobicContact CE2-CD1 4.02Å; Y1141-F1144 HydrophobicContact CE2-CE1 4.24Å; Y1141-F1144 WeakPolarHBondContact O-CB 3.29Å; Y1141-F1144 PolarHBondContact O-N 2.82Å; V1142-F1144 VanDerWaalsContact C-N 3.32Å; V1142-F1144 PolarHBondContact O-N 3Å; F1144-I1147 PolarHBondContact O-N 2.95Å; F1144-S1148 VanDerWaalsContact CE2-OG 3.25Å; F1144-S1148 WeakPolarHBondContact CE2-OG 3.29Å; F1144-S1148 WeakPolarHBondContact O-CB 3.29Å; F1144-S1148 PolarHBondContact O-N 2.84Å; F1144-S1148 PolarHBondContact O-OG 2.87Å
1145	M	87.3	Confident	82.6	Confident	8 Å²	8	45.2 Å²	45.2	4%	0.039	22%	0.217	C	C	.	.	H	α-helix	trans	-66.5	-42	-175.1	-171.5	57.4	71.3	0	0	110.8	Y1141 V1142 D1143 S1148 I1149 I1170 Q1174	Y1141-M1145 HydrophobicContact CE2-CE 4.24Å; Y1141-M1145 PolarHBondContact O-N 2.93Å; Y1141-M1145 WeakPolarHBondContact OH-CE 3.36Å; V1142-M1145 PolarHBondContact O-N 2.97Å; D1143-M1145 PolarHBondContact O-N 3.43Å; M1145-S1148 PolarHBondContact O-N 3.24Å; M1145-I1149 HydrophobicContact CG-CD1 3.78Å; M1145-I1149 HydrophobicContact CG-CG1 4.32Å; M1145-I1149 WeakPolarHBondContact O-CB 3.21Å; M1145-I1149 VanDerWaalsContact O-CG1 3.22Å; M1145-I1149 WeakPolarHBondContact O-CG1 2.76Å; M1145-I1149 PolarHBondContact O-N 2.82Å; M1145-I1149 HydrophobicContact SD-CD1 4.09Å; M1145-I1149 HydrophobicContact SD-CG1 4.16Å; M1145-I1170 HydrophobicContact CE-CG2 4.01Å; M1145-I1170 HydrophobicContact SD-CG2 3.88Å; M1145-Q1174 HydrophobicContact CE-CG 4.49Å
1146	R	87	Confident	83.9	Confident	94 Å²	94	40.9 Å²	40.9	36%	0.355	19%	0.19	S	C	.	.	H	α-helix	trans	-59.3	-49.1	176.6	-73.9	171	172.1	-158.6	-14.7	112.4	V1142 D1143 S1148 I1149 E1150 D1208	V1142-R1146 HydrophobicContact CG1-CG 4.45Å; V1142-R1146 WeakPolarHBondContact O-CG 3.16Å; V1142-R1146 PolarHBondContact O-N 3.46Å; D1143-R1146 PolarHBondContact O-N 3.17Å; R1146-S1148 VanDerWaalsContact C-N 3.29Å; R1146-S1148 PolarHBondContact O-N 2.94Å; R1146-I1149 PolarHBondContact O-N 2.65Å; R1146-E1150 WeakPolarHBondContact O-CB 3.48Å; R1146-E1150 PolarHBondContact O-N 2.74Å; R1146-D1208 WeakPolarHBondContact CG-OD2 3.42Å; R1146-D1208 IonicContact CZ-OD1 3.95Å; R1146-D1208 IonicContact CZ-OD2 3.46Å; R1146-D1208 VanDerWaalsContact NE-CG 3.33Å; R1146-D1208 IonicContact NE-OD1 2.68Å; R1146-D1208 PolarHBondContact NE-OD1 3.29Å; R1146-D1208 IonicContact NE-OD2 3.09Å; R1146-D1208 PolarHBondContact NE-OD2 2.86Å; R1146-D1208 IonicContact NH2-OD1 3.93Å; R1146-D1208 PolarHBondContact NH2-OD1 2.82Å; R1146-D1208 IonicContact NH2-OD2 2.69Å
1147	I	85.5	Confident	83.9	Confident	82 Å²	82	41 Å²	41	42%	0.421	20%	0.195	S	C	.	.	H	α-helix	trans	-61.6	-42.6	179.3	-66.2	166	0	0	0	110.3	I1037 D1143 F1144 E1150 Q1151	I1037-I1147 HydrophobicContact CD1-CG2 4.26Å; I1037-I1147 HydrophobicContact CG1-CG2 4.13Å; I1037-I1147 HydrophobicContact CG2-CG2 3.89Å; D1143-I1147 VanDerWaalsContact O-CG1 3.28Å; D1143-I1147 WeakPolarHBondContact O-CG1 3.15Å; D1143-I1147 PolarHBondContact O-N 2.9Å; F1144-I1147 PolarHBondContact O-N 2.95Å; I1147-E1150 PolarHBondContact O-N 3Å; I1147-Q1151 WeakPolarHBondContact O-CB 3.41Å; I1147-Q1151 PolarHBondContact O-N 2.93Å
1148	S	85	Confident	83.5	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.007	20%	0.199	C	C	.	.	H	α-helix	trans	-65.2	-43.8	179.6	-63	0	0	0	0	112.5	F1144 M1145 R1146 Q1151 L1152	F1144-S1148 VanDerWaalsContact CE2-OG 3.25Å; F1144-S1148 WeakPolarHBondContact CE2-OG 3.29Å; F1144-S1148 WeakPolarHBondContact O-CB 3.29Å; F1144-S1148 PolarHBondContact O-N 2.84Å; F1144-S1148 PolarHBondContact O-OG 2.87Å; M1145-S1148 PolarHBondContact O-N 3.24Å; R1146-S1148 VanDerWaalsContact C-N 3.29Å; R1146-S1148 PolarHBondContact O-N 2.94Å; S1148-Q1151 WeakPolarHBondContact O-CB 3.39Å; S1148-Q1151 PolarHBondContact O-N 3.43Å; S1148-L1152 WeakPolarHBondContact O-CG 3.08Å; S1148-L1152 PolarHBondContact O-N 2.7Å; S1148-L1152 VanDerWaalsContact O-N 3.15Å
1149	I	82.6	Confident	83	Confident	5 Å²	5	48.8 Å²	48.8	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-64.1	-44.9	176.7	-70.3	176.3	0	0	0	110.8	M1145 R1146 Q1151 L1152 R1153 L1166 F1209 Q1212	M1145-I1149 HydrophobicContact CG-CD1 3.78Å; M1145-I1149 HydrophobicContact CG-CG1 4.32Å; M1145-I1149 WeakPolarHBondContact O-CB 3.21Å; M1145-I1149 VanDerWaalsContact O-CG1 3.22Å; M1145-I1149 WeakPolarHBondContact O-CG1 2.76Å; M1145-I1149 PolarHBondContact O-N 2.82Å; M1145-I1149 HydrophobicContact SD-CD1 4.09Å; M1145-I1149 HydrophobicContact SD-CG1 4.16Å; R1146-I1149 PolarHBondContact O-N 2.65Å; I1149-Q1151 PolarHBondContact O-N 2.65Å; I1149-L1152 PolarHBondContact O-N 3.31Å; I1149-R1153 PolarHBondContact O-N 2.77Å; I1149-L1166 HydrophobicContact CB-CD2 4.06Å; I1149-L1166 HydrophobicContact CD1-CD2 4.06Å; I1149-L1166 HydrophobicContact CG1-CD2 3.58Å; I1149-L1166 HydrophobicContact CG2-CD1 3.97Å; I1149-L1166 HydrophobicContact CG2-CD2 3.66Å; I1149-L1166 HydrophobicContact CG2-CG 4.49Å; I1149-F1209 HydrophobicContact CD1-CE1 3.97Å; I1149-F1209 HydrophobicContact CD1-CZ 3.91Å; I1149-Q1212 HydrophobicContact CG2-CG 4.12Å
1150	E	82.6	Confident	82.4	Confident	73 Å²	73	51.8 Å²	51.8	34%	0.341	25%	0.25	S	S	.	.	H	α-helix	trans	-63.3	-42.7	179.3	-172	60.2	-156.5	0	0	111.6	R1146 I1147 L1152 R1153 Q1154	R1146-E1150 WeakPolarHBondContact O-CB 3.48Å; R1146-E1150 PolarHBondContact O-N 2.74Å; I1147-E1150 PolarHBondContact O-N 3Å; E1150-L1152 VanDerWaalsContact C-N 3.34Å; E1150-L1152 PolarHBondContact O-N 2.8Å; E1150-R1153 PolarHBondContact O-N 2.84Å; E1150-Q1154 HydrophobicContact CG-CG 4.34Å; E1150-Q1154 WeakPolarHBondContact O-CB 3.49Å; E1150-Q1154 WeakPolarHBondContact O-CG 3.36Å; E1150-Q1154 PolarHBondContact O-N 3.49Å; E1150-Q1154 WeakPolarHBondContact OE1-CG 3.49Å; E1150-Q1154 PolarHBondContact OE1-NE2 3.34Å
1151	Q	81.6	Confident	81.8	Confident	43 Å²	43	51 Å²	51	20%	0.201	24%	0.243	C	C	.	.	H	α-helix	trans	-53.9	-47.8	172.5	-98.4	-82.4	-6.2	0	0	112.2	I1037 I1147 S1148 I1149 L1155	I1037-Q1151 HydrophobicContact CG2-CG 4.38Å; I1147-Q1151 WeakPolarHBondContact O-CB 3.41Å; I1147-Q1151 PolarHBondContact O-N 2.93Å; S1148-Q1151 WeakPolarHBondContact O-CB 3.39Å; S1148-Q1151 PolarHBondContact O-N 3.43Å; I1149-Q1151 PolarHBondContact O-N 2.65Å; Q1151-L1155 WeakPolarHBondContact O-CB 3.47Å; Q1151-L1155 WeakPolarHBondContact O-CG 3.25Å; Q1151-L1155 PolarHBondContact O-N 2.91Å; Q1151-L1155 VanDerWaalsContact O-N 3.12Å
1152	L	82	Confident	81.1	Confident	4 Å²	4	51.4 Å²	51.4	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-64.3	-42.6	178.9	-70.7	170	0	0	0	112.1	I1038 L1083 S1148 I1149 E1150 V1156 F1165	I1038-L1152 HydrophobicContact CD1-CD1 3.65Å; I1038-L1152 HydrophobicContact CD1-CD2 4.03Å; I1038-L1152 HydrophobicContact CD1-CG 3.66Å; I1038-L1152 HydrophobicContact CG2-CD2 4.44Å; L1083-L1152 HydrophobicContact CD2-CD1 4.28Å; L1083-L1152 HydrophobicContact CD2-CD2 3.9Å; S1148-L1152 WeakPolarHBondContact O-CG 3.08Å; S1148-L1152 PolarHBondContact O-N 2.7Å; S1148-L1152 VanDerWaalsContact O-N 3.15Å; I1149-L1152 PolarHBondContact O-N 3.31Å; E1150-L1152 VanDerWaalsContact C-N 3.34Å; E1150-L1152 PolarHBondContact O-N 2.8Å; L1152-V1156 HydrophobicContact CD2-CG2 4.03Å; L1152-V1156 VanDerWaalsContact O-CB 3.23Å; L1152-V1156 WeakPolarHBondContact O-CB 3.5Å; L1152-V1156 WeakPolarHBondContact O-CG2 3.31Å; L1152-V1156 PolarHBondContact O-N 3.33Å; L1152-F1165 HydrophobicContact CD1-CD1 4.02Å; L1152-F1165 HydrophobicContact CD1-CE1 3.7Å
1153	R	80.1	Confident	80.5	Confident	145 Å²	145	54.9 Å²	54.9	55%	0.547	27%	0.267	S	S	.	.	H	α-helix	trans	-66.9	-41.1	-179.2	-169.1	175	-166	-103.9	-2.8	112.6	I1149 E1150 V1162	I1149-R1153 PolarHBondContact O-N 2.77Å; E1150-R1153 PolarHBondContact O-N 2.84Å; R1153-V1162 HydrophobicContact CB-CG1 4.41Å
1154	Q	80.1	Confident	80	Confident	113 Å²	113	55.6 Å²	55.6	53%	0.528	27%	0.268	S	S	.	.	H	α-helix	trans	-71.7	-35.8	-179.1	-72	-174.7	1.4	0	0	112.3	R954 E1150	R954-Q1154 PolarHBondContact NH1-O 3.01Å; E1150-Q1154 HydrophobicContact CG-CG 4.34Å; E1150-Q1154 WeakPolarHBondContact O-CB 3.49Å; E1150-Q1154 WeakPolarHBondContact O-CG 3.36Å; E1150-Q1154 PolarHBondContact O-N 3.49Å; E1150-Q1154 WeakPolarHBondContact OE1-CG 3.49Å; E1150-Q1154 PolarHBondContact OE1-NE2 3.34Å
1155	L	81	Confident	79.3	Confident	28 Å²	28	55.4 Å²	55.4	15%	0.147	27%	0.267	C	S	.	.	H	α-helix	trans	-103.7	-33	-168.9	-59.4	-170.5	0	0	0	114.4	I942 R954 T1040 C1043 N1047 Q1151	I942-L1155 HydrophobicContact CD1-CD1 4.22Å; I942-L1155 HydrophobicContact CD1-CD2 3.62Å; I942-L1155 HydrophobicContact CD1-CG 4.45Å; R954-L1155 WeakPolarHBondContact CD-O 3.46Å; R954-L1155 PolarHBondContact NH1-O 3.38Å; T1040-L1155 HydrophobicContact CG2-CD1 3.72Å; C1043-L1155 HydrophobicContact CB-CB 3.43Å; C1043-L1155 VanDerWaalsContact CB-CB 3.43Å; C1043-L1155 HydrophobicContact CB-CD1 3.91Å; C1043-L1155 HydrophobicContact CB-CG 4.34Å; N1047-L1155 PolarHBondContact ND2-O 3.18Å; Q1151-L1155 WeakPolarHBondContact O-CB 3.47Å; Q1151-L1155 WeakPolarHBondContact O-CG 3.25Å; Q1151-L1155 PolarHBondContact O-N 2.91Å; Q1151-L1155 VanDerWaalsContact O-N 3.12Å
1156	V	79.1	Confident	78.5	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.018	27%	0.267	C	S	.	.			trans	-79.4	131.7	-178.5	-177.3	0	0	0	0	110.7	R954 C1043 V1046 N1047 F1050 L1152 F1161 V1162	R954-V1156 PolarHBondContact NH1-O 2.77Å; C1043-V1156 HydrophobicContact CB-CG2 4.18Å; V1046-V1156 HydrophobicContact CG1-CG1 3.87Å; V1046-V1156 HydrophobicContact CG1-CG2 4.22Å; N1047-V1156 VanDerWaalsContact OD1-CA 3.24Å; N1047-V1156 WeakPolarHBondContact OD1-CA 3.28Å; F1050-V1156 HydrophobicContact CD2-CG1 4.14Å; F1050-V1156 HydrophobicContact CE2-CG1 3.79Å; L1152-V1156 HydrophobicContact CD2-CG2 4.03Å; L1152-V1156 VanDerWaalsContact O-CB 3.23Å; L1152-V1156 WeakPolarHBondContact O-CB 3.5Å; L1152-V1156 WeakPolarHBondContact O-CG2 3.31Å; L1152-V1156 PolarHBondContact O-N 3.33Å; V1156-F1161 HydrophobicContact CG1-CD1 3.67Å; V1156-F1161 HydrophobicContact CG1-CE1 3.96Å; V1156-V1162 HydrophobicContact CB-CG2 3.8Å; V1156-V1162 HydrophobicContact CG1-CG2 3.99Å
1157	S	73.8	Confident	77.6	Confident	37 Å²	37	51.7 Å²	51.7	26%	0.259	25%	0.254	S	S	.	.	S	Bend	trans	-78.9	-30.4	-173.3	55.2	0	0	0	0	114.2	N1047 E1159	N1047-S1157 PolarHBondContact OD1-N 3.35Å; N1047-S1157 PolarHBondContact OD1-OG 3.42Å; S1157-E1159 PolarHBondContact O-N 3.2Å
1158	D	74.5	Confident	76.9	Confident	41 Å²	41	51.1 Å²	51.1	22%	0.219	25%	0.252	C	S	.	.			trans	-85.6	96.9	-178.3	-171.8	-29.7	0	0	0	111.1	F1050 L1160 F1161 V1162	F1050-D1158 HydrophobicContact CD1-CB 3.98Å; F1050-D1158 HydrophobicContact CD2-CB 3.76Å; F1050-D1158 HydrophobicContact CE1-CB 4.13Å; F1050-D1158 HydrophobicContact CE2-CB 3.88Å; F1050-D1158 HydrophobicContact CG-CB 3.83Å; F1050-D1158 HydrophobicContact CZ-CB 4.11Å; D1158-L1160 VanDerWaalsContact C-N 3.28Å; D1158-L1160 PolarHBondContact O-N 3.15Å; D1158-L1160 WeakPolarHBondContact OD1-CB 3.38Å; D1158-L1160 PolarHBondContact OD1-N 3.28Å; D1158-F1161 HydrophobicContact CB-CB 3.89Å; D1158-F1161 WeakPolarHBondContact O-CB 3.27Å; D1158-F1161 PolarHBondContact O-N 3.05Å; D1158-F1161 PolarHBondContact OD1-N 2.91Å; D1158-V1162 WeakPolarHBondContact O-CG2 3.35Å; D1158-V1162 PolarHBondContact O-N 2.96Å
1159	E	73.9	Confident	76.5	Confident	148 Å²	148	52.1 Å²	52.1	69%	0.692	26%	0.257	S	S	*	.	H	α-helix	trans	-64	-30	179.6	-66	-156.7	157.5	0	0	113.4	S1157 V1162 T1163	S1157-E1159 PolarHBondContact O-N 3.2Å; E1159-V1162 PolarHBondContact O-N 2.78Å; E1159-T1163 VanDerWaalsContact O-CB 3.29Å; E1159-T1163 WeakPolarHBondContact O-CB 3.4Å; E1159-T1163 PolarHBondContact O-N 3.28Å; E1159-T1163 PolarHBondContact O-OG1 2.95Å
1160	L	74.2	Confident	76.5	Confident	145 Å²	145	51.9 Å²	51.9	76%	0.759	26%	0.256	S	S	*	.	H	α-helix	trans	-68.6	-40.3	176.6	-70.3	172.4	0	0	0	110.3	D1158 H1164	D1158-L1160 VanDerWaalsContact C-N 3.28Å; D1158-L1160 PolarHBondContact O-N 3.15Å; D1158-L1160 WeakPolarHBondContact OD1-CB 3.38Å; D1158-L1160 PolarHBondContact OD1-N 3.28Å; L1160-H1164 VanDerWaalsContact O-CB 3.28Å; L1160-H1164 WeakPolarHBondContact O-CB 3.31Å; L1160-H1164 PolarHBondContact O-N 2.79Å
1161	F	73.9	Confident	76.6	Confident	11 Å²	11	48.6 Å²	48.6	5%	0.048	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-52.6	171.6	162	-115	0	0	0	111.3	V1046 F1050 H1080 V1156 D1158 T1163 H1164 F1165	V1046-F1161 HydrophobicContact CG1-CD1 4.5Å; V1046-F1161 HydrophobicContact CG1-CE1 4Å; F1050-F1161 HydrophobicContact CE1-CB 4.1Å; F1050-F1161 HydrophobicContact CE1-CG 4.31Å; F1050-F1161 HydrophobicContact CE2-CB 4.11Å; F1050-F1161 AromaticContact CE2-CD1 3.42Å; F1050-F1161 HydrophobicContact CE2-CD1 3.42Å; F1050-F1161 VanDerWaalsContact CE2-CD1 3.42Å; F1050-F1161 HydrophobicContact CE2-CE1 4.01Å; F1050-F1161 AromaticContact CE2-CG 3.85Å; F1050-F1161 HydrophobicContact CE2-CG 3.85Å; F1050-F1161 HydrophobicContact CZ-CB 3.51Å; F1050-F1161 AromaticContact CZ-CD1 3.42Å; F1050-F1161 HydrophobicContact CZ-CD1 3.42Å; F1050-F1161 VanDerWaalsContact CZ-CD1 3.42Å; F1050-F1161 HydrophobicContact CZ-CD2 4.05Å; F1050-F1161 HydrophobicContact CZ-CE1 4.12Å; F1050-F1161 AromaticContact CZ-CG 3.33Å; F1050-F1161 HydrophobicContact CZ-CG 3.33Å; H1080-F1161 HydrophobicContact CB-CE2 4.41Å; H1080-F1161 AromaticContact CD2-CD2 3.86Å; H1080-F1161 AromaticContact CD2-CE2 3.14Å; H1080-F1161 WeakPolarHBondContact CD2-CE2 3.49Å; H1080-F1161 AromaticContact CD2-CZ 3.55Å; H1080-F1161 AromaticContact CE1-CD2 2.91Å; H1080-F1161 WeakPolarHBondContact CE1-CD2 3.41Å; H1080-F1161 AromaticContact CE1-CE2 2.99Å; H1080-F1161 WeakPolarHBondContact CE1-CE2 3.44Å; H1080-F1161 AromaticContact CE1-CG 3.97Å; H1080-F1161 AromaticContact CG-CE2 3.37Å; H1080-F1161 AromaticContact ND1-CD2 3.57Å; H1080-F1161 AromaticContact ND1-CE2 3.26Å; H1080-F1161 VanDerWaalsContact ND1-CE2 3.26Å; H1080-F1161 WeakPolarHBondContact ND1-CE2 3.34Å; H1080-F1161 AromaticContact NE2-CD2 3.11Å; H1080-F1161 WeakPolarHBondContact NE2-CD2 3.38Å; H1080-F1161 AromaticContact NE2-CE2 2.91Å; H1080-F1161 WeakPolarHBondContact NE2-CE2 3.46Å; H1080-F1161 AromaticContact NE2-CG 3.91Å; H1080-F1161 AromaticContact NE2-CZ 3.55Å; V1156-F1161 HydrophobicContact CG1-CD1 3.67Å; V1156-F1161 HydrophobicContact CG1-CE1 3.96Å; D1158-F1161 HydrophobicContact CB-CB 3.89Å; D1158-F1161 WeakPolarHBondContact O-CB 3.27Å; D1158-F1161 PolarHBondContact O-N 3.05Å; D1158-F1161 PolarHBondContact OD1-N 2.91Å; F1161-T1163 PolarHBondContact O-N 2.93Å; F1161-H1164 PolarHBondContact O-N 3.3Å; F1161-H1164 VanDerWaalsContact O-N 3.17Å; F1161-F1165 HydrophobicContact CD2-CB 3.99Å; F1161-F1165 HydrophobicContact CE2-CB 3.5Å; F1161-F1165 AromaticContact CE2-CD2 3.84Å; F1161-F1165 HydrophobicContact CE2-CD2 3.84Å; F1161-F1165 AromaticContact CE2-CG 3.75Å; F1161-F1165 HydrophobicContact CE2-CG 3.75Å; F1161-F1165 HydrophobicContact CZ-CB 3.98Å; F1161-F1165 HydrophobicContact CZ-CD1 4.32Å; F1161-F1165 HydrophobicContact CZ-CD2 4.13Å; F1161-F1165 AromaticContact CZ-CG 3.89Å; F1161-F1165 HydrophobicContact CZ-CG 3.89Å; F1161-F1165 WeakPolarHBondContact O-CB 3.34Å; F1161-F1165 PolarHBondContact O-N 3.2Å
1162	V	75	Confident	76.7	Confident	10 Å²	10	51 Å²	51	6%	0.061	25%	0.251	C	S	.	.	H	α-helix	trans	-54.4	-48.1	179.8	172.5	0	0	0	0	109.5	R1153 V1156 D1158 E1159 F1165 L1166	R1153-V1162 HydrophobicContact CB-CG1 4.41Å; V1156-V1162 HydrophobicContact CB-CG2 3.8Å; V1156-V1162 HydrophobicContact CG1-CG2 3.99Å; D1158-V1162 WeakPolarHBondContact O-CG2 3.35Å; D1158-V1162 PolarHBondContact O-N 2.96Å; E1159-V1162 PolarHBondContact O-N 2.78Å; V1162-F1165 PolarHBondContact O-N 3.26Å; V1162-L1166 HydrophobicContact CG1-CD1 3.58Å; V1162-L1166 HydrophobicContact CG1-CG 4.16Å; V1162-L1166 VanDerWaalsContact O-CB 3.28Å; V1162-L1166 WeakPolarHBondContact O-CB 3.31Å; V1162-L1166 WeakPolarHBondContact O-CG 3.26Å; V1162-L1166 PolarHBondContact O-N 2.98Å
1163	T	75.9	Confident	76.9	Confident	77 Å²	77	51.1 Å²	51.1	47%	0.472	25%	0.252	S	S	.	.	H	α-helix	trans	-60.2	-50.6	177.8	-54.7	0	0	0	0	111.7	E1159 F1161 F1165 L1167	E1159-T1163 VanDerWaalsContact O-CB 3.29Å; E1159-T1163 WeakPolarHBondContact O-CB 3.4Å; E1159-T1163 PolarHBondContact O-N 3.28Å; E1159-T1163 PolarHBondContact O-OG1 2.95Å; F1161-T1163 PolarHBondContact O-N 2.93Å; T1163-F1165 PolarHBondContact O-N 2.78Å; T1163-L1167 WeakPolarHBondContact O-CB 3.42Å; T1163-L1167 PolarHBondContact O-N 2.81Å
1164	H	75.3	Confident	77.4	Confident	94 Å²	94	44.2 Å²	44.2	44%	0.435	23%	0.226	S	C	.	.	H	α-helix	trans	-63.4	-40.6	-179.6	-178.5	93.6	0	0	0	112.6	L1160 F1161 N1168	L1160-H1164 VanDerWaalsContact O-CB 3.28Å; L1160-H1164 WeakPolarHBondContact O-CB 3.31Å; L1160-H1164 PolarHBondContact O-N 2.79Å; F1161-H1164 PolarHBondContact O-N 3.3Å; F1161-H1164 VanDerWaalsContact O-N 3.17Å; H1164-N1168 PolarHBondContact CE1-ND2 3.31Å; H1164-N1168 PolarHBondContact ND1-ND2 3Å; H1164-N1168 WeakPolarHBondContact O-CB 3.4Å; H1164-N1168 PolarHBondContact O-N 2.86Å
1165	F	74.3	Confident	77.8	Confident	1 Å²	1	38.9 Å²	38.9	0%	0.004	20%	0.201	C	C	.	.	I	π-helix	trans	-66.6	-49.6	-179.7	-175.8	-110.2	0	0	0	111.4	H1080 L1083 F1084 L1087 L1152 F1161 V1162 T1163 L1169 I1170	H1080-F1165 HydrophobicContact CB-CD2 4.29Å; H1080-F1165 HydrophobicContact CB-CE2 4.34Å; H1080-F1165 WeakPolarHBondContact O-CE2 3.41Å; L1083-F1165 HydrophobicContact CB-CZ 3.98Å; L1083-F1165 HydrophobicContact CD2-CE1 3.74Å; L1083-F1165 HydrophobicContact CD2-CZ 3.64Å; L1083-F1165 HydrophobicContact CG-CE1 4.23Å; L1083-F1165 HydrophobicContact CG-CZ 3.77Å; F1084-F1165 HydrophobicContact CB-CE2 3.93Å; F1084-F1165 HydrophobicContact CB-CZ 4.28Å; L1087-F1165 HydrophobicContact CD1-CE1 4.12Å; L1087-F1165 HydrophobicContact CD1-CZ 4.26Å; L1152-F1165 HydrophobicContact CD1-CD1 4.02Å; L1152-F1165 HydrophobicContact CD1-CE1 3.7Å; F1161-F1165 HydrophobicContact CD2-CB 3.99Å; F1161-F1165 HydrophobicContact CE2-CB 3.5Å; F1161-F1165 AromaticContact CE2-CD2 3.84Å; F1161-F1165 HydrophobicContact CE2-CD2 3.84Å; F1161-F1165 AromaticContact CE2-CG 3.75Å; F1161-F1165 HydrophobicContact CE2-CG 3.75Å; F1161-F1165 HydrophobicContact CZ-CB 3.98Å; F1161-F1165 HydrophobicContact CZ-CD1 4.32Å; F1161-F1165 HydrophobicContact CZ-CD2 4.13Å; F1161-F1165 AromaticContact CZ-CG 3.89Å; F1161-F1165 HydrophobicContact CZ-CG 3.89Å; F1161-F1165 WeakPolarHBondContact O-CB 3.34Å; F1161-F1165 PolarHBondContact O-N 3.2Å; V1162-F1165 PolarHBondContact O-N 3.26Å; T1163-F1165 PolarHBondContact O-N 2.78Å; F1165-L1169 HydrophobicContact CD2-CB 4.48Å; F1165-L1169 PolarHBondContact O-N 2.89Å; F1165-I1170 HydrophobicContact CD1-CD1 3.84Å; F1165-I1170 HydrophobicContact CD1-CG1 4.2Å; F1165-I1170 HydrophobicContact CE1-CD1 3.52Å; F1165-I1170 HydrophobicContact CE1-CG1 3.94Å; F1165-I1170 HydrophobicContact CZ-CD1 4.19Å; F1165-I1170 HydrophobicContact CZ-CG1 4.19Å; F1165-I1170 PolarHBondContact O-N 2.86Å; F1165-I1170 VanDerWaalsContact O-N 3.12Å
1166	L	72.2	Confident	78.2	Confident	7 Å²	7	40 Å²	40	4%	0.037	21%	0.206	C	C	.	.	I	π-helix	trans	-60.7	-50	175.5	-67.5	177.9	0	0	0	111.1	I1149 V1162 I1170 L1171 F1209	I1149-L1166 HydrophobicContact CB-CD2 4.06Å; I1149-L1166 HydrophobicContact CD1-CD2 4.06Å; I1149-L1166 HydrophobicContact CG1-CD2 3.58Å; I1149-L1166 HydrophobicContact CG2-CD1 3.97Å; I1149-L1166 HydrophobicContact CG2-CD2 3.66Å; I1149-L1166 HydrophobicContact CG2-CG 4.49Å; V1162-L1166 HydrophobicContact CG1-CD1 3.58Å; V1162-L1166 HydrophobicContact CG1-CG 4.16Å; V1162-L1166 VanDerWaalsContact O-CB 3.28Å; V1162-L1166 WeakPolarHBondContact O-CB 3.31Å; V1162-L1166 WeakPolarHBondContact O-CG 3.26Å; V1162-L1166 PolarHBondContact O-N 2.98Å; L1166-I1170 HydrophobicContact CD2-CD1 3.96Å; L1166-L1171 PolarHBondContact O-N 2.83Å; L1166-F1209 WeakPolarHBondContact O-CE1 3.46Å
1167	L	68.1	Low	78.7	Confident	17 Å²	17	42 Å²	42	9%	0.089	22%	0.216	C	C	.	.	I	π-helix	trans	-67.1	-59.3	-175.7	177.5	78.4	0	0	0	113.2	T1163 L1171 I1214 K1218	T1163-L1167 WeakPolarHBondContact O-CB 3.42Å; T1163-L1167 PolarHBondContact O-N 2.81Å; L1167-L1171 WeakPolarHBondContact O-CB 3.32Å; L1167-I1214 HydrophobicContact CB-CD1 4.1Å; L1167-I1214 HydrophobicContact CB-CG1 4.22Å; L1167-I1214 HydrophobicContact CD1-CB 3.76Å; L1167-I1214 HydrophobicContact CD1-CD1 3.83Å; L1167-I1214 HydrophobicContact CD1-CG1 3.46Å; L1167-I1214 VanDerWaalsContact CD1-CG1 3.46Å; L1167-I1214 HydrophobicContact CD1-CG2 3.11Å; L1167-I1214 HydrophobicContact CG-CG1 4.47Å; L1167-K1218 HydrophobicContact CD1-CB 4.11Å; L1167-K1218 HydrophobicContact CD1-CD 3.63Å; L1167-K1218 HydrophobicContact CD2-CD 3.77Å; L1167-K1218 HydrophobicContact CG-CD 4.14Å
1168	N	69.6	Low	79.5	Confident	71 Å²	71	40.2 Å²	40.2	38%	0.38	20%	0.204	S	C	.	.	I	π-helix	trans	-92.5	-33.6	-164.1	-70.4	-46.6	0	0	0	113	H1164 F1172	H1164-N1168 PolarHBondContact CE1-ND2 3.31Å; H1164-N1168 PolarHBondContact ND1-ND2 3Å; H1164-N1168 WeakPolarHBondContact O-CB 3.4Å; H1164-N1168 PolarHBondContact O-N 2.86Å; N1168-F1172 WeakPolarHBondContact O-CB 3.32Å
1169	L	77.2	Confident	80.3	Confident	21 Å²	21	39.4 Å²	39.4	11%	0.11	20%	0.199	C	C	.	.	I	π-helix	trans	-92.3	-64.6	-177.8	-84.1	93.2	0	0	0	110.6	M1081 F1084 F1165 G1173	M1081-L1169 HydrophobicContact CE-CD2 3.63Å; M1081-L1169 HydrophobicContact SD-CD2 3.84Å; F1084-L1169 HydrophobicContact CB-CD2 3.88Å; F1084-L1169 HydrophobicContact CD1-CD2 3.94Å; F1084-L1169 HydrophobicContact CD2-CB 3.66Å; F1084-L1169 HydrophobicContact CD2-CD2 4.02Å; F1084-L1169 HydrophobicContact CD2-CG 4.39Å; F1084-L1169 HydrophobicContact CE1-CD2 4.42Å; F1084-L1169 VanDerWaalsContact CE2-C 3.4Å; F1084-L1169 HydrophobicContact CE2-CB 3.87Å; F1084-L1169 WeakPolarHBondContact CE2-O 3.43Å; F1084-L1169 HydrophobicContact CG-CB 4.2Å; F1084-L1169 HydrophobicContact CG-CD2 3.68Å; F1165-L1169 HydrophobicContact CD2-CB 4.48Å; F1165-L1169 PolarHBondContact O-N 2.89Å; L1169-G1173 WeakPolarHBondContact O-CA 3.13Å; L1169-G1173 PolarHBondContact O-N 3.02Å
1170	I	82.8	Confident	81.1	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.187	C	C	.	.	I	π-helix	trans	-64.8	-51.6	-169.1	-51.1	-177.6	0	0	0	111.5	L1087 M1145 F1165 L1166 G1173 Q1174 F1209	L1087-I1170 HydrophobicContact CD1-CD1 3.79Å; M1145-I1170 HydrophobicContact CE-CG2 4.01Å; M1145-I1170 HydrophobicContact SD-CG2 3.88Å; F1165-I1170 HydrophobicContact CD1-CD1 3.84Å; F1165-I1170 HydrophobicContact CD1-CG1 4.2Å; F1165-I1170 HydrophobicContact CE1-CD1 3.52Å; F1165-I1170 HydrophobicContact CE1-CG1 3.94Å; F1165-I1170 HydrophobicContact CZ-CD1 4.19Å; F1165-I1170 HydrophobicContact CZ-CG1 4.19Å; F1165-I1170 PolarHBondContact O-N 2.86Å; F1165-I1170 VanDerWaalsContact O-N 3.12Å; L1166-I1170 HydrophobicContact CD2-CD1 3.96Å; I1170-G1173 PolarHBondContact O-N 3.33Å; I1170-Q1174 HydrophobicContact CG2-CG 4.29Å; I1170-Q1174 WeakPolarHBondContact O-CB 3.49Å; I1170-Q1174 VanDerWaalsContact O-CG 3.22Å; I1170-Q1174 WeakPolarHBondContact O-CG 3.37Å; I1170-Q1174 PolarHBondContact O-N 2.82Å; I1170-Q1174 PolarHBondContact O-NE2 3.02Å; I1170-F1209 HydrophobicContact CB-CZ 4.38Å; I1170-F1209 HydrophobicContact CG2-CZ 4.09Å
1171	L	84.5	Confident	81.9	Confident	4 Å²	4	30 Å²	30	2%	0.021	15%	0.153	C	C	.	.	I	π-helix	trans	-57.7	-53.5	179.5	171.3	65.8	0	0	0	111.6	L1166 L1167 G1173 Q1174 L1175 I1205 F1209 I1214 L1219	L1166-L1171 PolarHBondContact O-N 2.83Å; L1167-L1171 WeakPolarHBondContact O-CB 3.32Å; L1171-G1173 PolarHBondContact O-N 2.84Å; L1171-Q1174 PolarHBondContact O-N 2.87Å; L1171-L1175 HydrophobicContact CD1-CD1 3.99Å; L1171-L1175 HydrophobicContact CD1-CG 4.32Å; L1171-L1175 HydrophobicContact CG-CD1 4.22Å; L1171-L1175 VanDerWaalsContact O-CG 3.32Å; L1171-L1175 WeakPolarHBondContact O-CG 3.24Å; L1171-L1175 PolarHBondContact O-N 3.34Å; L1171-L1175 VanDerWaalsContact O-N 3.11Å; L1171-I1205 HydrophobicContact CD1-CG2 3.69Å; L1171-F1209 HydrophobicContact CB-CD1 4.14Å; L1171-F1209 HydrophobicContact CB-CD2 4.36Å; L1171-F1209 HydrophobicContact CB-CE1 4.04Å; L1171-F1209 HydrophobicContact CB-CE2 4.33Å; L1171-F1209 HydrophobicContact CB-CG 4.29Å; L1171-F1209 HydrophobicContact CB-CZ 4.16Å; L1171-F1209 HydrophobicContact CD1-CB 4.38Å; L1171-F1209 HydrophobicContact CD1-CD2 3.68Å; L1171-F1209 HydrophobicContact CD1-CE2 4.12Å; L1171-F1209 HydrophobicContact CD1-CG 4.01Å; L1171-I1214 HydrophobicContact CD2-CD1 4.47Å; L1171-I1214 HydrophobicContact CD2-CG2 4.32Å; L1171-L1219 HydrophobicContact CD1-CD2 4.4Å; L1171-L1219 HydrophobicContact CD2-CD2 3.78Å
1172	F	83.6	Confident	82.6	Confident	95 Å²	95	29.8 Å²	29.8	42%	0.417	15%	0.153	S	C	.	.	H	α-helix	trans	-59.8	-46.2	-179.8	-179.3	-99.3	0	0	0	111.9	N1168 Q1174 L1175 Q1176 L1221	N1168-F1172 WeakPolarHBondContact O-CB 3.32Å; F1172-Q1174 PolarHBondContact O-N 3.21Å; F1172-L1175 PolarHBondContact O-N 2.69Å; F1172-Q1176 HydrophobicContact CD1-CG 3.98Å; F1172-Q1176 HydrophobicContact CE1-CG 3.59Å; F1172-Q1176 HydrophobicContact CE2-CG 4.16Å; F1172-Q1176 HydrophobicContact CG-CG 4.43Å; F1172-Q1176 HydrophobicContact CZ-CG 3.68Å; F1172-Q1176 VanDerWaalsContact CZ-NE2 3.35Å; F1172-Q1176 WeakPolarHBondContact O-CG 3.49Å; F1172-Q1176 PolarHBondContact O-N 3.06Å; F1172-L1221 HydrophobicContact CD2-CD1 4.1Å
1173	G	86.9	Confident	83.1	Confident	5 Å²	5	34.5 Å²	34.5	5%	0.052	18%	0.175	C	C	.	.	H	α-helix	trans	-63.2	-39.6	-179.4	0	0	0	0	0	113.3	L1169 I1170 L1171 Q1176 L1177	L1169-G1173 WeakPolarHBondContact O-CA 3.13Å; L1169-G1173 PolarHBondContact O-N 3.02Å; I1170-G1173 PolarHBondContact O-N 3.33Å; L1171-G1173 PolarHBondContact O-N 2.84Å; G1173-Q1176 PolarHBondContact O-N 3.16Å; G1173-L1177 PolarHBondContact O-N 3.4Å
1174	Q	89.7	Confident	83.6	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-62.6	-47.5	174.2	-74.2	-176.9	86.6	0	0	111.7	L1088 L1091 Y1141 M1145 I1170 L1171 F1172 Q1176 L1177 I1178 I1205	L1088-Q1174 HydrophobicContact CD2-CB 4.5Å; L1088-Q1174 HydrophobicContact CD2-CG 3.78Å; L1091-Q1174 HydrophobicContact CD2-CB 3.85Å; L1091-Q1174 HydrophobicContact CD2-CG 3.81Å; Y1141-Q1174 WeakPolarHBondContact OH-CG 3.38Å; Y1141-Q1174 PolarHBondContact OH-OE1 3.16Å; M1145-Q1174 HydrophobicContact CE-CG 4.49Å; I1170-Q1174 HydrophobicContact CG2-CG 4.29Å; I1170-Q1174 WeakPolarHBondContact O-CB 3.49Å; I1170-Q1174 VanDerWaalsContact O-CG 3.22Å; I1170-Q1174 WeakPolarHBondContact O-CG 3.37Å; I1170-Q1174 PolarHBondContact O-N 2.82Å; I1170-Q1174 PolarHBondContact O-NE2 3.02Å; L1171-Q1174 PolarHBondContact O-N 2.87Å; F1172-Q1174 PolarHBondContact O-N 3.21Å; Q1174-Q1176 VanDerWaalsContact C-N 3.33Å; Q1174-Q1176 PolarHBondContact O-N 2.9Å; Q1174-L1177 PolarHBondContact O-N 3.45Å; Q1174-I1178 WeakPolarHBondContact O-CG1 3.46Å; Q1174-I1178 PolarHBondContact O-N 3.5Å; Q1174-I1205 HydrophobicContact CB-CD1 4.23Å
1175	L	89.5	Confident	84	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-61.9	-41.8	178.4	-66.1	174.5	0	0	0	111.4	L1171 F1172 I1178 N1179 M1202 I1205 L1221 T1223 Y1224 I1227	L1171-L1175 HydrophobicContact CD1-CD1 3.99Å; L1171-L1175 HydrophobicContact CD1-CG 4.32Å; L1171-L1175 HydrophobicContact CG-CD1 4.22Å; L1171-L1175 VanDerWaalsContact O-CG 3.32Å; L1171-L1175 WeakPolarHBondContact O-CG 3.24Å; L1171-L1175 PolarHBondContact O-N 3.34Å; L1171-L1175 VanDerWaalsContact O-N 3.11Å; F1172-L1175 PolarHBondContact O-N 2.69Å; L1175-I1178 PolarHBondContact O-N 3Å; L1175-N1179 WeakPolarHBondContact O-CB 3.41Å; L1175-N1179 PolarHBondContact O-N 3.02Å; L1175-M1202 HydrophobicContact CD2-CE 3.71Å; L1175-M1202 HydrophobicContact CD2-SD 4.21Å; L1175-I1205 HydrophobicContact CD2-CG2 4.48Å; L1175-L1221 HydrophobicContact CD1-CD1 4Å; L1175-T1223 HydrophobicContact CB-CG2 4.21Å; L1175-Y1224 HydrophobicContact CD2-CD2 3.8Å; L1175-I1227 HydrophobicContact CB-CD1 4.35Å; L1175-I1227 HydrophobicContact CD2-CD1 4.06Å; L1175-I1227 WeakPolarHBondContact O-CD1 3.37Å
1176	Q	88.2	Confident	84.3	Confident	51 Å²	51	39.8 Å²	39.8	24%	0.238	19%	0.194	C	C	.	.	H	α-helix	trans	-64.2	-44.5	177.7	-71.9	-62.8	-22.7	0	0	112.4	F1172 G1173 Q1174 I1178 N1179 N1180 T1223	F1172-Q1176 HydrophobicContact CD1-CG 3.98Å; F1172-Q1176 HydrophobicContact CE1-CG 3.59Å; F1172-Q1176 HydrophobicContact CE2-CG 4.16Å; F1172-Q1176 HydrophobicContact CG-CG 4.43Å; F1172-Q1176 HydrophobicContact CZ-CG 3.68Å; F1172-Q1176 VanDerWaalsContact CZ-NE2 3.35Å; F1172-Q1176 WeakPolarHBondContact O-CG 3.49Å; F1172-Q1176 PolarHBondContact O-N 3.06Å; G1173-Q1176 PolarHBondContact O-N 3.16Å; Q1174-Q1176 VanDerWaalsContact C-N 3.33Å; Q1174-Q1176 PolarHBondContact O-N 2.9Å; Q1176-I1178 PolarHBondContact O-N 3.04Å; Q1176-N1179 PolarHBondContact O-N 2.89Å; Q1176-N1180 WeakPolarHBondContact O-CB 3.32Å; Q1176-N1180 PolarHBondContact O-N 2.81Å; Q1176-N1180 PolarHBondContact O-ND2 2.88Å; Q1176-N1180 PolarHBondContact O-OD1 3.03Å; Q1176-T1223 PolarHBondContact NE2-OG1 2.87Å
1177	L	89.3	Confident	84.6	Confident	44 Å²	44	44.6 Å²	44.6	23%	0.23	22%	0.219	C	C	.	.	H	α-helix	trans	-61.7	-44.7	177.4	-78.2	178.4	0	0	0	112.1	L1088 L1091 E1092 L1095 G1173 Q1174 W1181	L1088-L1177 HydrophobicContact CB-CD1 3.88Å; L1088-L1177 HydrophobicContact CD1-CD1 4.05Å; L1088-L1177 HydrophobicContact CD2-CD1 4.22Å; L1088-L1177 HydrophobicContact CG-CD1 4.29Å; L1091-L1177 HydrophobicContact CB-CD1 4.44Å; L1091-L1177 HydrophobicContact CD2-CB 4.11Å; L1091-L1177 HydrophobicContact CD2-CD1 4.19Å; L1091-L1177 HydrophobicContact CG-CD1 4.43Å; E1092-L1177 HydrophobicContact CB-CD1 4.45Å; L1095-L1177 HydrophobicContact CD1-CB 4.11Å; G1173-L1177 PolarHBondContact O-N 3.4Å; Q1174-L1177 PolarHBondContact O-N 3.45Å; L1177-W1181 VanDerWaalsContact O-CB 3.23Å; L1177-W1181 WeakPolarHBondContact O-CB 3.33Å; L1177-W1181 PolarHBondContact O-N 2.92Å
1178	I	90.5	Very high	85.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.3	-44.6	178	-65.6	167.9	0	0	0	110.5	L1091 L1095 Q1174 L1175 Q1176 W1181 L1182 L1198 I1201 M1202 I1205 I1227	L1091-I1178 HydrophobicContact CD1-CG1 4.46Å; L1091-I1178 HydrophobicContact CD2-CD1 4.36Å; L1091-I1178 HydrophobicContact CD2-CG1 4.18Å; L1095-I1178 HydrophobicContact CD1-CG1 4.47Å; Q1174-I1178 WeakPolarHBondContact O-CG1 3.46Å; Q1174-I1178 PolarHBondContact O-N 3.5Å; L1175-I1178 PolarHBondContact O-N 3Å; Q1176-I1178 PolarHBondContact O-N 3.04Å; I1178-W1181 PolarHBondContact O-N 2.84Å; I1178-L1182 HydrophobicContact CG2-CD1 4.03Å; I1178-L1182 WeakPolarHBondContact O-CB 3.46Å; I1178-L1182 WeakPolarHBondContact O-CG 3.22Å; I1178-L1182 PolarHBondContact O-N 2.78Å; I1178-L1198 HydrophobicContact CG2-CD2 4.4Å; I1178-I1201 HydrophobicContact CD1-CG2 3.97Å; I1178-M1202 HydrophobicContact CD1-SD 3.68Å; I1178-M1202 HydrophobicContact CG2-SD 4.09Å; I1178-I1205 HydrophobicContact CD1-CD1 3.88Å; I1178-I1227 HydrophobicContact CB-CD1 4.18Å; I1178-I1227 HydrophobicContact CG2-CD1 4.05Å; I1178-I1227 HydrophobicContact CG2-CG1 4.32Å; I1178-I1227 HydrophobicContact CG2-CG2 3.91Å
1179	N	91.2	Very high	85.6	Confident	25 Å²	25	48.2 Å²	48.2	13%	0.134	23%	0.234	C	C	.	.	H	α-helix	trans	-62	-46.1	178.6	-173.4	67.5	0	0	0	111.8	L1175 Q1176 L1182 M1183 T1223 I1227	L1175-N1179 WeakPolarHBondContact O-CB 3.41Å; L1175-N1179 PolarHBondContact O-N 3.02Å; Q1176-N1179 PolarHBondContact O-N 2.89Å; N1179-L1182 PolarHBondContact O-N 3.42Å; N1179-M1183 WeakPolarHBondContact O-CB 3.35Å; N1179-M1183 VanDerWaalsContact O-CG 3.26Å; N1179-M1183 WeakPolarHBondContact O-CG 3.4Å; N1179-M1183 PolarHBondContact O-N 3.03Å; N1179-T1223 HydrophobicContact CB-CG2 3.5Å; N1179-I1227 HydrophobicContact CB-CD1 3.96Å; N1179-I1227 HydrophobicContact CB-CG1 3.8Å
1180	N	90.3	Very high	85.9	Confident	79 Å²	79	47.6 Å²	47.6	42%	0.422	23%	0.23	S	C	.	.	H	α-helix	trans	-63.2	-44	178.1	-69.5	-10.6	0	0	0	111.2	Q1176 L1182 M1183 E1184	Q1176-N1180 WeakPolarHBondContact O-CB 3.32Å; Q1176-N1180 PolarHBondContact O-N 2.81Å; Q1176-N1180 PolarHBondContact O-ND2 2.88Å; Q1176-N1180 PolarHBondContact O-OD1 3.03Å; N1180-L1182 VanDerWaalsContact C-N 3.27Å; N1180-L1182 PolarHBondContact O-N 3.08Å; N1180-M1183 PolarHBondContact O-N 3.14Å; N1180-M1183 VanDerWaalsContact O-N 3.13Å; N1180-E1184 WeakPolarHBondContact O-CG 3.23Å; N1180-E1184 PolarHBondContact O-N 3.2Å
1181	W	91.6	Very high	85.6	Confident	16 Å²	16	48.2 Å²	48.2	6%	0.061	24%	0.235	C	C	.	.	H	α-helix	trans	-60.3	-37.2	177	-173.2	93.5	0	0	0	112.5	L1095 L1098 A1099 L1177 I1178 R1185 L1190 Q1194 L1198	L1095-W1181 HydrophobicContact CB-CG 4.18Å; L1095-W1181 HydrophobicContact CD1-CB 4.13Å; L1095-W1181 HydrophobicContact CD1-CG 4.29Å; L1095-W1181 HydrophobicContact CD2-CD2 4.17Å; L1095-W1181 HydrophobicContact CD2-CG 4.1Å; L1095-W1181 HydrophobicContact CG-CG 4.43Å; L1095-W1181 PolarHBondContact O-NE1 3.38Å; L1098-W1181 HydrophobicContact CB-CZ2 4.12Å; A1099-W1181 HydrophobicContact CB-CZ2 4.33Å; L1177-W1181 VanDerWaalsContact O-CB 3.23Å; L1177-W1181 WeakPolarHBondContact O-CB 3.33Å; L1177-W1181 PolarHBondContact O-N 2.92Å; I1178-W1181 PolarHBondContact O-N 2.84Å; W1181-R1185 VanDerWaalsContact CD1-NH1 3.3Å; W1181-R1185 PolarHBondContact O-NH1 2.96Å; W1181-L1190 HydrophobicContact CH2-CD2 4.03Å; W1181-L1190 HydrophobicContact CZ3-CD2 3.79Å; W1181-Q1194 HydrophobicContact CH2-CG 4.34Å; W1181-L1198 HydrophobicContact CE3-CD1 3.98Å; W1181-L1198 HydrophobicContact CH2-CD1 4.18Å; W1181-L1198 HydrophobicContact CZ3-CD1 3.48Å; W1181-L1198 VanDerWaalsContact CZ3-CD1 3.48Å
1182	L	89.4	Confident	85.3	Confident	6 Å²	6	51.1 Å²	51.1	3%	0.031	26%	0.259	C	S	.	.	H	α-helix	trans	-71.7	-38.5	173.8	-73.1	171.2	0	0	0	112.6	I1178 N1179 N1180 R1185 H1186 L1190 L1198 I1227 R1230	I1178-L1182 HydrophobicContact CG2-CD1 4.03Å; I1178-L1182 WeakPolarHBondContact O-CB 3.46Å; I1178-L1182 WeakPolarHBondContact O-CG 3.22Å; I1178-L1182 PolarHBondContact O-N 2.78Å; N1179-L1182 PolarHBondContact O-N 3.42Å; N1180-L1182 VanDerWaalsContact C-N 3.27Å; N1180-L1182 PolarHBondContact O-N 3.08Å; L1182-R1185 CarbonylContact O-C 3.6Å; L1182-R1185 VanDerWaalsContact O-C 3.29Å; L1182-R1185 WeakPolarHBondContact O-CA 3.26Å; L1182-R1185 PolarHBondContact O-N 3.19Å; L1182-R1185 VanDerWaalsContact O-N 3.07Å; L1182-H1186 PolarHBondContact O-N 3.39Å; L1182-L1190 HydrophobicContact CD2-CD1 3.72Å; L1182-L1190 HydrophobicContact CD2-CD2 4.49Å; L1182-L1198 HydrophobicContact CD2-CD1 4.11Å; L1182-I1227 HydrophobicContact CD1-CB 4.31Å; L1182-I1227 HydrophobicContact CD1-CG1 4.28Å; L1182-I1227 HydrophobicContact CD1-CG2 3.69Å; L1182-R1230 HydrophobicContact CD1-CG 4.4Å; L1182-R1230 HydrophobicContact CD2-CG 4.35Å
1183	M	85.7	Confident	85.1	Confident	110 Å²	110	48.2 Å²	48.2	54%	0.542	25%	0.246	S	C	.	.	H	α-helix	trans	-66.9	-37.2	178.5	-75.7	-63.7	-59.8	0	0	112.6	N1179 N1180 R1185 H1186	N1179-M1183 WeakPolarHBondContact O-CB 3.35Å; N1179-M1183 VanDerWaalsContact O-CG 3.26Å; N1179-M1183 WeakPolarHBondContact O-CG 3.4Å; N1179-M1183 PolarHBondContact O-N 3.03Å; N1180-M1183 PolarHBondContact O-N 3.14Å; N1180-M1183 VanDerWaalsContact O-N 3.13Å; M1183-R1185 PolarHBondContact O-N 2.92Å; M1183-R1185 VanDerWaalsContact O-N 3.13Å; M1183-H1186 WeakPolarHBondContact O-CB 3.25Å; M1183-H1186 PolarHBondContact O-N 3.14Å; M1183-H1186 VanDerWaalsContact O-N 3.17Å; M1183-H1186 PolarHBondContact O-ND1 2.89Å
1184	E	84.9	Confident	85	Confident	136 Å²	136	48 Å²	48	64%	0.636	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-16	171.4	-73.5	176.2	-179.8	0	0	113	N1180	N1180-E1184 WeakPolarHBondContact O-CG 3.23Å; N1180-E1184 PolarHBondContact O-N 3.2Å
1185	R	84.9	Confident	84.7	Confident	22 Å²	22	48.9 Å²	48.9	8%	0.083	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	24.8	-179.8	-66.9	166.6	-179.8	66	13.4	111.8	D1102 W1181 L1182 M1183 D1187 R1188 R1230	D1102-R1185 VanDerWaalsContact CG-NE 3.32Å; D1102-R1185 IonicContact OD1-CZ 3.35Å; D1102-R1185 IonicContact OD1-NE 3.36Å; D1102-R1185 PolarHBondContact OD1-NE 3.36Å; D1102-R1185 IonicContact OD2-CZ 2.82Å; D1102-R1185 IonicContact OD2-NE 3.83Å; D1102-R1185 PolarHBondContact OD2-NE 3.2Å; D1102-R1185 IonicContact OD2-NH2 3.98Å; D1102-R1185 PolarHBondContact OD2-NH2 2.76Å; W1181-R1185 VanDerWaalsContact CD1-NH1 3.3Å; W1181-R1185 PolarHBondContact O-NH1 2.96Å; L1182-R1185 CarbonylContact O-C 3.6Å; L1182-R1185 VanDerWaalsContact O-C 3.29Å; L1182-R1185 WeakPolarHBondContact O-CA 3.26Å; L1182-R1185 PolarHBondContact O-N 3.19Å; L1182-R1185 VanDerWaalsContact O-N 3.07Å; M1183-R1185 PolarHBondContact O-N 2.92Å; M1183-R1185 VanDerWaalsContact O-N 3.13Å; R1185-D1187 PolarHBondContact O-N 3.19Å; R1185-D1187 VanDerWaalsContact O-N 3.11Å; R1185-R1188 PolarHBondContact O-N 2.89Å; R1185-R1188 VanDerWaalsContact O-N 3.15Å; R1185-R1230 PolarHBondContact O-NH2 2.88Å
1186	H	79.5	Confident	84.3	Confident	124 Å²	124	52.7 Å²	52.7	57%	0.574	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.6	-174.2	66.7	-79.2	0	0	0	113.2	L1182 M1183 R1230	L1182-H1186 PolarHBondContact O-N 3.39Å; M1183-H1186 WeakPolarHBondContact O-CB 3.25Å; M1183-H1186 PolarHBondContact O-N 3.14Å; M1183-H1186 VanDerWaalsContact O-N 3.17Å; M1183-H1186 PolarHBondContact O-ND1 2.89Å; H1186-R1230 VanDerWaalsContact CA-NH1 3.28Å; H1186-R1230 PolarHBondContact O-NH1 3.1Å; H1186-R1230 PolarHBondContact O-NH2 2.85Å
1187	D	79.4	Confident	84.2	Confident	108 Å²	108	50.2 Å²	50.2	58%	0.578	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-1.4	-178	63.9	-39.7	0	0	0	114.8	R1185	R1185-D1187 PolarHBondContact O-N 3.19Å; R1185-D1187 VanDerWaalsContact O-N 3.11Å
1188	R	79	Confident	84.2	Confident	118 Å²	118	48.1 Å²	48.1	45%	0.445	25%	0.249	S	C	.	.	S	Bend	trans	-121	142.4	-175.1	-55.9	179.5	-169.2	-176.8	0.6	111.6	R1185 R1230	R1185-R1188 PolarHBondContact O-N 2.89Å; R1185-R1188 VanDerWaalsContact O-N 3.15Å; R1188-R1230 PolarHBondContact O-NH2 2.98Å; R1188-R1230 VanDerWaalsContact O-NH2 3.13Å
1189	S	79.9	Confident	83.9	Confident	47 Å²	47	49.3 Å²	49.3	33%	0.329	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-72.3	139.7	168.2	35.7	0	0	0	0	110.8	E1103	E1103-S1189 PolarHBondContact OE1-OG 2.81Å; E1103-S1189 PolarHBondContact OE2-OG 2.9Å
1190	L	82.1	Confident	83.8	Confident	7 Å²	7	50.6 Å²	50.6	4%	0.037	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-80.4	138.6	175.1	-63.2	178.6	0	0	0	110.2	W1181 L1182 Q1194 M1195 L1198 M1231 E1234	W1181-L1190 HydrophobicContact CH2-CD2 4.03Å; W1181-L1190 HydrophobicContact CZ3-CD2 3.79Å; L1182-L1190 HydrophobicContact CD2-CD1 3.72Å; L1182-L1190 HydrophobicContact CD2-CD2 4.49Å; L1190-Q1194 HydrophobicContact CB-CB 4.45Å; L1190-M1195 HydrophobicContact CB-CG 3.61Å; L1190-M1195 HydrophobicContact CB-SD 4.4Å; L1190-M1195 HydrophobicContact CD1-CG 4.17Å; L1190-M1195 WeakPolarHBondContact O-CE 3.2Å; L1190-L1198 HydrophobicContact CD1-CD1 4.46Å; L1190-M1231 HydrophobicContact CD1-SD 4.36Å; L1190-E1234 HydrophobicContact CD1-CB 4.43Å; L1190-E1234 HydrophobicContact CD1-CG 3.9Å; L1190-E1234 HydrophobicContact CG-CG 4.14Å; L1190-E1234 PolarHBondContact N-OE2 2.96Å; L1190-E1234 VanDerWaalsContact N-OE2 3.16Å
1191	S	78.6	Confident	83.7	Confident	14 Å²	14	46.8 Å²	46.8	10%	0.098	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-64	152.9	171.6	65.9	0	0	0	0	111.2	Y1193 Q1194 M1195	S1191-Y1193 PolarHBondContact O-N 2.81Å; S1191-Y1193 VanDerWaalsContact O-N 3.12Å; S1191-Q1194 PolarHBondContact O-N 2.86Å; S1191-Q1194 WeakPolarHBondContact OG-CB 3.45Å; S1191-Q1194 VanDerWaalsContact OG-CD 3.24Å; S1191-Q1194 WeakPolarHBondContact OG-CG 3.21Å; S1191-Q1194 PolarHBondContact OG-N 3.46Å; S1191-Q1194 PolarHBondContact OG-OE1 2.98Å; S1191-M1195 PolarHBondContact O-N 3.34Å
1192	A	76.9	Confident	83.6	Confident	64 Å²	64	46.1 Å²	46.1	53%	0.529	24%	0.238	S	C	.	.	H	α-helix	trans	-52.4	-37.4	177.1	0	0	0	0	0	113	M1195 T1196	A1192-M1195 HydrophobicContact CB-CE 4.4Å; A1192-T1196 WeakPolarHBondContact O-CB 3.35Å; A1192-T1196 PolarHBondContact O-N 3.08Å; A1192-T1196 PolarHBondContact O-OG1 3.37Å
1193	Y	78.9	Confident	83.5	Confident	34 Å²	34	52.3 Å²	52.3	13%	0.133	26%	0.264	C	S	.	.	H	α-helix	trans	-69.3	-42.6	178.4	-175.6	-109.3	0	0	0	112.7	L1098 Y1101 V1115 L1137 S1191 T1196 C1197	L1098-Y1193 HydrophobicContact CD2-CD1 4.3Å; L1098-Y1193 HydrophobicContact CD2-CE1 4.09Å; Y1101-Y1193 AromaticContact CD1-CD1 3.9Å; Y1101-Y1193 HydrophobicContact CD1-CD1 3.9Å; Y1101-Y1193 AromaticContact CD2-CD1 3.87Å; Y1101-Y1193 HydrophobicContact CD2-CD1 3.87Å; Y1101-Y1193 HydrophobicContact CD2-CE1 4.17Å; Y1101-Y1193 AromaticContact CE1-CD1 3.69Å; Y1101-Y1193 HydrophobicContact CE1-CD1 3.69Å; Y1101-Y1193 HydrophobicContact CE1-CE1 4.1Å; Y1101-Y1193 HydrophobicContact CE1-CG 4.37Å; Y1101-Y1193 AromaticContact CE2-CD1 3.66Å; Y1101-Y1193 HydrophobicContact CE2-CD1 3.66Å; Y1101-Y1193 AromaticContact CE2-CE1 3.55Å; Y1101-Y1193 HydrophobicContact CE2-CE1 3.55Å; Y1101-Y1193 AromaticContact CG-CD1 3.99Å; Y1101-Y1193 HydrophobicContact CG-CD1 3.99Å; Y1101-Y1193 AromaticContact CZ-CD1 3.56Å; Y1101-Y1193 AromaticContact CZ-CE1 3.5Å; V1115-Y1193 HydrophobicContact CG1-CD2 4.03Å; V1115-Y1193 HydrophobicContact CG1-CG 4.45Å; L1137-Y1193 HydrophobicContact CD1-CE1 3.97Å; L1137-Y1193 PolarHBondContact N-OH 2.97Å; S1191-Y1193 PolarHBondContact O-N 2.81Å; S1191-Y1193 VanDerWaalsContact O-N 3.12Å; Y1193-T1196 PolarHBondContact O-N 2.93Å; Y1193-C1197 WeakPolarHBondContact O-CB 3.49Å; Y1193-C1197 PolarHBondContact O-N 3.43Å; Y1193-C1197 PolarHBondContact O-SG 2.9Å; Y1193-C1197 VanDerWaalsContact O-SG 3.37Å
1194	Q	85.6	Confident	83.6	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.8	-46.6	174.8	-72.7	167.1	-36.9	0	0	111.5	L1098 D1102 W1181 L1190 S1191 T1196 C1197 L1198	L1098-Q1194 HydrophobicContact CB-CG 4.41Å; L1098-Q1194 HydrophobicContact CD2-CG 4.46Å; L1098-Q1194 PolarHBondContact O-NE2 2.99Å; D1102-Q1194 PolarHBondContact OD1-NE2 3.41Å; W1181-Q1194 HydrophobicContact CH2-CG 4.34Å; L1190-Q1194 HydrophobicContact CB-CB 4.45Å; S1191-Q1194 PolarHBondContact O-N 2.86Å; S1191-Q1194 WeakPolarHBondContact OG-CB 3.45Å; S1191-Q1194 VanDerWaalsContact OG-CD 3.24Å; S1191-Q1194 WeakPolarHBondContact OG-CG 3.21Å; S1191-Q1194 PolarHBondContact OG-N 3.46Å; S1191-Q1194 PolarHBondContact OG-OE1 2.98Å; Q1194-T1196 PolarHBondContact O-N 3.15Å; Q1194-C1197 PolarHBondContact O-N 3.47Å; Q1194-L1198 WeakPolarHBondContact O-CB 3.49Å; Q1194-L1198 WeakPolarHBondContact O-CG 3.23Å; Q1194-L1198 PolarHBondContact O-N 2.96Å
1195	M	82.9	Confident	83.7	Confident	21 Å²	21	43.8 Å²	43.8	10%	0.103	22%	0.222	C	C	.	.	H	α-helix	trans	-59.8	-46.1	178.2	-72	-175.5	-69.1	0	0	111.8	L1190 S1191 A1192 C1197 L1198 S1199 M1231 E1234 A1238	L1190-M1195 HydrophobicContact CB-CG 3.61Å; L1190-M1195 HydrophobicContact CB-SD 4.4Å; L1190-M1195 HydrophobicContact CD1-CG 4.17Å; L1190-M1195 WeakPolarHBondContact O-CE 3.2Å; S1191-M1195 PolarHBondContact O-N 3.34Å; A1192-M1195 HydrophobicContact CB-CE 4.4Å; M1195-C1197 PolarHBondContact O-N 3.39Å; M1195-L1198 PolarHBondContact O-N 3.29Å; M1195-S1199 WeakPolarHBondContact O-CB 3.29Å; M1195-S1199 PolarHBondContact O-N 2.87Å; M1195-M1231 HydrophobicContact CB-CE 4.41Å; M1195-M1231 WeakPolarHBondContact O-CE 3.49Å; M1195-E1234 HydrophobicContact CG-CB 4.34Å; M1195-E1234 HydrophobicContact SD-CB 3.76Å; M1195-A1238 HydrophobicContact CE-CB 3.53Å; M1195-A1238 HydrophobicContact SD-CB 4.01Å
1196	T	82.3	Confident	83.6	Confident	80 Å²	80	44.8 Å²	44.8	49%	0.491	23%	0.227	S	C	.	.	H	α-helix	trans	-62.8	-43.6	179.7	-49	0	0	0	0	111	H1136 A1192 Y1193 Q1194 Y1200	H1136-T1196 VanDerWaalsContact CE1-C 3.49Å; H1136-T1196 PolarHBondContact CE1-O 3.49Å; H1136-T1196 VanDerWaalsContact NE2-CG2 3.25Å; H1136-T1196 WeakPolarHBondContact NE2-CG2 3.27Å; A1192-T1196 WeakPolarHBondContact O-CB 3.35Å; A1192-T1196 PolarHBondContact O-N 3.08Å; A1192-T1196 PolarHBondContact O-OG1 3.37Å; Y1193-T1196 PolarHBondContact O-N 2.93Å; Q1194-T1196 PolarHBondContact O-N 3.15Å; T1196-Y1200 VanDerWaalsContact O-CB 3.31Å; T1196-Y1200 WeakPolarHBondContact O-CB 3.49Å; T1196-Y1200 PolarHBondContact O-N 3.27Å
1197	C	85.7	Confident	83.8	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-52.7	175.8	-73.4	0	0	0	0	112.6	L1098 H1136 Y1193 Q1194 M1195 Y1200 I1201	L1098-C1197 HydrophobicContact CD1-CB 4.08Å; L1098-C1197 HydrophobicContact CD2-CB 3.7Å; H1136-C1197 WeakPolarHBondContact CE1-CA 3.34Å; H1136-C1197 PolarHBondContact CE1-N 3.16Å; H1136-C1197 VanDerWaalsContact CE1-SG 3.52Å; H1136-C1197 PolarHBondContact NE2-N 3.29Å; H1136-C1197 PolarHBondContact NE2-SG 3.4Å; H1136-C1197 VanDerWaalsContact NE2-SG 3.4Å; Y1193-C1197 WeakPolarHBondContact O-CB 3.49Å; Y1193-C1197 PolarHBondContact O-N 3.43Å; Y1193-C1197 PolarHBondContact O-SG 2.9Å; Y1193-C1197 VanDerWaalsContact O-SG 3.37Å; Q1194-C1197 PolarHBondContact O-N 3.47Å; M1195-C1197 PolarHBondContact O-N 3.39Å; C1197-Y1200 PolarHBondContact O-N 3.49Å; C1197-I1201 VanDerWaalsContact O-CG1 3.27Å; C1197-I1201 WeakPolarHBondContact O-CG1 3.31Å; C1197-I1201 PolarHBondContact O-N 3.39Å
1198	L	88.9	Confident	84	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-68.5	-40.4	-177.1	-69.3	172.7	0	0	0	112.2	L1095 L1098 I1178 W1181 L1182 L1190 Q1194 M1195 Y1200 I1201 M1202 M1231	L1095-L1198 HydrophobicContact CD2-CD2 3.72Å; L1098-L1198 HydrophobicContact CD1-CD2 4.13Å; L1098-L1198 HydrophobicContact CD1-CG 4.33Å; I1178-L1198 HydrophobicContact CG2-CD2 4.4Å; W1181-L1198 HydrophobicContact CE3-CD1 3.98Å; W1181-L1198 HydrophobicContact CH2-CD1 4.18Å; W1181-L1198 HydrophobicContact CZ3-CD1 3.48Å; W1181-L1198 VanDerWaalsContact CZ3-CD1 3.48Å; L1182-L1198 HydrophobicContact CD2-CD1 4.11Å; L1190-L1198 HydrophobicContact CD1-CD1 4.46Å; Q1194-L1198 WeakPolarHBondContact O-CB 3.49Å; Q1194-L1198 WeakPolarHBondContact O-CG 3.23Å; Q1194-L1198 PolarHBondContact O-N 2.96Å; M1195-L1198 PolarHBondContact O-N 3.29Å; L1198-Y1200 VanDerWaalsContact C-N 3.31Å; L1198-Y1200 PolarHBondContact O-N 3.21Å; L1198-I1201 PolarHBondContact O-N 2.85Å; L1198-M1202 WeakPolarHBondContact O-CB 3.47Å; L1198-M1202 VanDerWaalsContact O-CG 3.28Å; L1198-M1202 WeakPolarHBondContact O-CG 3.09Å; L1198-M1202 PolarHBondContact O-N 3.14Å; L1198-M1231 HydrophobicContact CB-CE 3.89Å; L1198-M1231 HydrophobicContact CB-SD 3.89Å; L1198-M1231 HydrophobicContact CD1-SD 4.4Å
1199	S	85.1	Confident	84.2	Confident	25 Å²	25	30.8 Å²	30.8	18%	0.175	17%	0.167	C	C	.	.	H	α-helix	trans	-60.9	-42.7	176	-175.2	0	0	0	0	111	M1195 K1203	M1195-S1199 WeakPolarHBondContact O-CB 3.29Å; M1195-S1199 PolarHBondContact O-N 2.87Å; S1199-K1203 WeakPolarHBondContact O-CB 3.34Å; S1199-K1203 VanDerWaalsContact O-CG 3.32Å; S1199-K1203 WeakPolarHBondContact O-CG 3.31Å; S1199-K1203 PolarHBondContact O-N 2.81Å
1200	Y	87.6	Confident	84.2	Confident	51 Å²	51	32.7 Å²	32.7	20%	0.2	17%	0.171	C	C	.	.	H	α-helix	trans	-63.1	-49.2	175.4	-174.3	-95.7	0	0	0	112.1	H1139 V1142 T1196 C1197 L1198 M1202 K1203 K1204	H1139-Y1200 HydrophobicContact CB-CE1 4.33Å; H1139-Y1200 AromaticContact CE1-CE1 3.95Å; H1139-Y1200 AromaticContact CE1-CE2 3.42Å; H1139-Y1200 VanDerWaalsContact CE1-CE2 3.42Å; H1139-Y1200 WeakPolarHBondContact CE1-CE2 3.37Å; H1139-Y1200 AromaticContact CE1-CZ 3.29Å; H1139-Y1200 PolarHBondContact CE1-OH 2.73Å; H1139-Y1200 AromaticContact CG-CE1 3.77Å; H1139-Y1200 AromaticContact CG-CZ 3.89Å; H1139-Y1200 AromaticContact ND1-CE1 3.69Å; H1139-Y1200 AromaticContact ND1-CE2 3.98Å; H1139-Y1200 AromaticContact ND1-CZ 3.36Å; H1139-Y1200 PolarHBondContact ND1-OH 2.72Å; H1139-Y1200 AromaticContact NE2-CD2 3.92Å; H1139-Y1200 AromaticContact NE2-CE2 3.64Å; H1139-Y1200 AromaticContact NE2-CZ 3.78Å; V1142-Y1200 HydrophobicContact CB-CE1 4Å; V1142-Y1200 HydrophobicContact CG1-CE1 4.37Å; V1142-Y1200 HydrophobicContact CG2-CD1 3.99Å; V1142-Y1200 HydrophobicContact CG2-CE1 3.79Å; T1196-Y1200 VanDerWaalsContact O-CB 3.31Å; T1196-Y1200 WeakPolarHBondContact O-CB 3.49Å; T1196-Y1200 PolarHBondContact O-N 3.27Å; C1197-Y1200 PolarHBondContact O-N 3.49Å; L1198-Y1200 VanDerWaalsContact C-N 3.31Å; L1198-Y1200 PolarHBondContact O-N 3.21Å; Y1200-M1202 PolarHBondContact O-N 2.88Å; Y1200-K1203 PolarHBondContact O-N 2.78Å; Y1200-K1204 HydrophobicContact CD1-CG 4.25Å; Y1200-K1204 HydrophobicContact CE1-CG 3.82Å; Y1200-K1204 HydrophobicContact CE2-CG 4.17Å; Y1200-K1204 WeakPolarHBondContact O-CB 3.22Å; Y1200-K1204 WeakPolarHBondContact O-CG 3.42Å; Y1200-K1204 PolarHBondContact O-N 2.96Å
1201	I	89.9	Confident	84.2	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-56.5	-49.9	177.4	-68.8	167.7	0	0	0	110.1	Y1141 V1142 I1178 C1197 L1198 K1203 K1204 I1205	Y1141-I1201 HydrophobicContact CD1-CD1 4.14Å; Y1141-I1201 HydrophobicContact CD1-CG1 4.04Å; Y1141-I1201 HydrophobicContact CD1-CG2 4.04Å; Y1141-I1201 HydrophobicContact CE1-CG2 4.06Å; V1142-I1201 HydrophobicContact CG2-CG1 4.4Å; I1178-I1201 HydrophobicContact CD1-CG2 3.97Å; C1197-I1201 VanDerWaalsContact O-CG1 3.27Å; C1197-I1201 WeakPolarHBondContact O-CG1 3.31Å; C1197-I1201 PolarHBondContact O-N 3.39Å; L1198-I1201 PolarHBondContact O-N 2.85Å; I1201-K1203 PolarHBondContact O-N 3.19Å; I1201-K1204 PolarHBondContact O-N 3.3Å; I1201-I1205 HydrophobicContact CG2-CD1 3.5Å; I1201-I1205 HydrophobicContact CG2-CG1 4.07Å; I1201-I1205 WeakPolarHBondContact O-CB 3.41Å; I1201-I1205 VanDerWaalsContact O-CG1 3.28Å; I1201-I1205 WeakPolarHBondContact O-CG1 3.23Å; I1201-I1205 PolarHBondContact O-N 3.28Å
1202	M	89	Confident	84	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-63.7	-43.3	-177.4	-72.3	-59.3	-61.3	0	0	113	L1175 I1178 L1198 Y1200 K1204 I1205 Y1206 Y1224 I1227 I1228	L1175-M1202 HydrophobicContact CD2-CE 3.71Å; L1175-M1202 HydrophobicContact CD2-SD 4.21Å; I1178-M1202 HydrophobicContact CD1-SD 3.68Å; I1178-M1202 HydrophobicContact CG2-SD 4.09Å; L1198-M1202 WeakPolarHBondContact O-CB 3.47Å; L1198-M1202 VanDerWaalsContact O-CG 3.28Å; L1198-M1202 WeakPolarHBondContact O-CG 3.09Å; L1198-M1202 PolarHBondContact O-N 3.14Å; Y1200-M1202 PolarHBondContact O-N 2.88Å; M1202-K1204 VanDerWaalsContact C-N 3.28Å; M1202-K1204 PolarHBondContact O-N 3.07Å; M1202-I1205 HydrophobicContact SD-CD1 4.47Å; M1202-Y1206 PolarHBondContact O-N 3.38Å; M1202-Y1224 HydrophobicContact CE-CD2 3.34Å; M1202-Y1224 HydrophobicContact CE-CE2 3.48Å; M1202-Y1224 VanDerWaalsContact CE-CE2 3.48Å; M1202-Y1224 HydrophobicContact CE-CG 4.38Å; M1202-I1227 HydrophobicContact CE-CB 3.94Å; M1202-I1227 HydrophobicContact CE-CD1 3.88Å; M1202-I1227 HydrophobicContact CE-CG2 3.58Å; M1202-I1227 HydrophobicContact CG-CG2 3.88Å; M1202-I1227 HydrophobicContact SD-CD1 4.18Å; M1202-I1227 HydrophobicContact SD-CG2 3.77Å; M1202-I1228 HydrophobicContact CB-CD1 4.22Å; M1202-I1228 HydrophobicContact CE-CD1 4.36Å
1203	K	86.2	Confident	83.8	Confident	136 Å²	136	41.5 Å²	41.5	59%	0.591	22%	0.221	S	C	*	.	H	α-helix	trans	-60.1	-40.5	175.3	-76.2	175.2	-177.3	174.7	0	111.6	S1199 Y1200 I1201 S1207	S1199-K1203 WeakPolarHBondContact O-CB 3.34Å; S1199-K1203 VanDerWaalsContact O-CG 3.32Å; S1199-K1203 WeakPolarHBondContact O-CG 3.31Å; S1199-K1203 PolarHBondContact O-N 2.81Å; Y1200-K1203 PolarHBondContact O-N 2.78Å; I1201-K1203 PolarHBondContact O-N 3.19Å; K1203-S1207 PolarHBondContact O-N 3.35Å; K1203-S1207 PolarHBondContact O-OG 2.86Å
1204	K	88.1	Confident	83.6	Confident	61 Å²	61	40.4 Å²	40.4	27%	0.265	22%	0.218	S	C	.	.	H	α-helix	trans	-77.4	-37.8	-178.7	-68.5	-59.3	-171.7	-173.2	0	113.6	V1142 Y1200 I1201 M1202 Y1206 S1207 D1208	V1142-K1204 HydrophobicContact CB-CB 4.34Å; V1142-K1204 HydrophobicContact CG1-CB 3.7Å; V1142-K1204 HydrophobicContact CG1-CG 3.93Å; V1142-K1204 HydrophobicContact CG2-CB 3.64Å; V1142-K1204 HydrophobicContact CG2-CG 4.1Å; Y1200-K1204 HydrophobicContact CD1-CG 4.25Å; Y1200-K1204 HydrophobicContact CE1-CG 3.82Å; Y1200-K1204 HydrophobicContact CE2-CG 4.17Å; Y1200-K1204 WeakPolarHBondContact O-CB 3.22Å; Y1200-K1204 WeakPolarHBondContact O-CG 3.42Å; Y1200-K1204 PolarHBondContact O-N 2.96Å; I1201-K1204 PolarHBondContact O-N 3.3Å; M1202-K1204 VanDerWaalsContact C-N 3.28Å; M1202-K1204 PolarHBondContact O-N 3.07Å; K1204-Y1206 VanDerWaalsContact C-N 3.32Å; K1204-Y1206 PolarHBondContact O-N 2.86Å; K1204-S1207 PolarHBondContact O-N 3.3Å; K1204-S1207 PolarHBondContact O-OG 2.85Å; K1204-D1208 WeakPolarHBondContact O-CB 3.46Å; K1204-D1208 PolarHBondContact O-N 2.73Å
1205	I	86.4	Confident	83.1	Confident	7 Å²	7	45.4 Å²	45.4	4%	0.036	25%	0.245	C	C	.	.	H	α-helix	trans	-52.6	-53	171.7	-75	173.6	0	0	0	109.3	L1171 Q1174 L1175 I1178 I1201 M1202 S1207 D1208 F1209	L1171-I1205 HydrophobicContact CD1-CG2 3.69Å; Q1174-I1205 HydrophobicContact CB-CD1 4.23Å; L1175-I1205 HydrophobicContact CD2-CG2 4.48Å; I1178-I1205 HydrophobicContact CD1-CD1 3.88Å; I1201-I1205 HydrophobicContact CG2-CD1 3.5Å; I1201-I1205 HydrophobicContact CG2-CG1 4.07Å; I1201-I1205 WeakPolarHBondContact O-CB 3.41Å; I1201-I1205 VanDerWaalsContact O-CG1 3.28Å; I1201-I1205 WeakPolarHBondContact O-CG1 3.23Å; I1201-I1205 PolarHBondContact O-N 3.28Å; M1202-I1205 HydrophobicContact SD-CD1 4.47Å; I1205-S1207 PolarHBondContact O-N 2.86Å; I1205-D1208 PolarHBondContact O-N 2.86Å; I1205-F1209 HydrophobicContact CG2-CD2 3.83Å; I1205-F1209 HydrophobicContact CG2-CE2 4.07Å; I1205-F1209 WeakPolarHBondContact O-CD2 3.36Å; I1205-F1209 PolarHBondContact O-N 2.72Å
1206	Y	82.9	Confident	82.8	Confident	43 Å²	43	49.6 Å²	49.6	17%	0.169	26%	0.264	C	S	.	.	H	α-helix	trans	-58.1	-54.4	-178.5	-167.5	-81.3	0	0	0	112.1	M1202 K1204 D1208 E1210 L1219 N1220 Y1224	M1202-Y1206 PolarHBondContact O-N 3.38Å; K1204-Y1206 VanDerWaalsContact C-N 3.32Å; K1204-Y1206 PolarHBondContact O-N 2.86Å; Y1206-D1208 VanDerWaalsContact C-N 3.33Å; Y1206-D1208 PolarHBondContact O-N 3.01Å; Y1206-E1210 WeakPolarHBondContact O-CB 3.44Å; Y1206-E1210 PolarHBondContact O-N 3.33Å; Y1206-L1219 HydrophobicContact CD2-CB 4.04Å; Y1206-L1219 HydrophobicContact CE1-CD1 4.24Å; Y1206-L1219 HydrophobicContact CE2-CB 3.63Å; Y1206-L1219 HydrophobicContact CE2-CD1 4.33Å; Y1206-N1220 PolarHBondContact OH-ND2 2.83Å; Y1206-Y1224 HydrophobicContact CD2-CD1 4.4Å; Y1206-Y1224 AromaticContact CD2-CE1 3.68Å; Y1206-Y1224 HydrophobicContact CD2-CE1 3.68Å; Y1206-Y1224 AromaticContact CD2-CE2 3.92Å; Y1206-Y1224 HydrophobicContact CD2-CE2 3.92Å; Y1206-Y1224 AromaticContact CD2-CZ 3.41Å; Y1206-Y1224 VanDerWaalsContact CD2-CZ 3.41Å; Y1206-Y1224 WeakPolarHBondContact CD2-OH 3.48Å; Y1206-Y1224 HydrophobicContact CE2-CE1 4.02Å
1207	S	84.2	Confident	82.5	Confident	33 Å²	33	53.8 Å²	53.8	23%	0.231	28%	0.278	C	S	.	.	H	α-helix	trans	-63.9	-36.8	-177.3	64.9	0	0	0	0	113.4	K1203 K1204 I1205 L1211	K1203-S1207 PolarHBondContact O-N 3.35Å; K1203-S1207 PolarHBondContact O-OG 2.86Å; K1204-S1207 PolarHBondContact O-N 3.3Å; K1204-S1207 PolarHBondContact O-OG 2.85Å; I1205-S1207 PolarHBondContact O-N 2.86Å; S1207-L1211 WeakPolarHBondContact O-CB 3.27Å; S1207-L1211 WeakPolarHBondContact O-CD1 3.13Å; S1207-L1211 VanDerWaalsContact O-CG 3.28Å; S1207-L1211 WeakPolarHBondContact O-CG 3.33Å; S1207-L1211 PolarHBondContact O-N 3.09Å; S1207-L1211 VanDerWaalsContact O-N 3.09Å
1208	D	83.3	Confident	81.9	Confident	20 Å²	20	58.6 Å²	58.6	11%	0.107	30%	0.299	C	S	.	.	H	α-helix	trans	-74	-41.9	-175.7	-67.4	-9.6	0	0	0	110.8	R1146 K1204 I1205 Y1206 L1211 Q1212	R1146-D1208 WeakPolarHBondContact CG-OD2 3.42Å; R1146-D1208 IonicContact CZ-OD1 3.95Å; R1146-D1208 IonicContact CZ-OD2 3.46Å; R1146-D1208 VanDerWaalsContact NE-CG 3.33Å; R1146-D1208 IonicContact NE-OD1 2.68Å; R1146-D1208 PolarHBondContact NE-OD1 3.29Å; R1146-D1208 IonicContact NE-OD2 3.09Å; R1146-D1208 PolarHBondContact NE-OD2 2.86Å; R1146-D1208 IonicContact NH2-OD1 3.93Å; R1146-D1208 PolarHBondContact NH2-OD1 2.82Å; R1146-D1208 IonicContact NH2-OD2 2.69Å; K1204-D1208 WeakPolarHBondContact O-CB 3.46Å; K1204-D1208 PolarHBondContact O-N 2.73Å; I1205-D1208 PolarHBondContact O-N 2.86Å; Y1206-D1208 VanDerWaalsContact C-N 3.33Å; Y1206-D1208 PolarHBondContact O-N 3.01Å; D1208-L1211 PolarHBondContact O-N 3.12Å; D1208-Q1212 VanDerWaalsContact O-CG 3.27Å; D1208-Q1212 WeakPolarHBondContact O-CG 3.39Å; D1208-Q1212 PolarHBondContact O-N 3.01Å; D1208-Q1212 VanDerWaalsContact O-N 3.15Å
1209	F	83.5	Confident	81.1	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.009	30%	0.299	C	S	.	.	H	α-helix	trans	-73.1	-31	177.6	-77.3	-74	0	0	0	112.4	I1149 L1166 I1170 L1171 I1205 Q1212 I1214 L1219	I1149-F1209 HydrophobicContact CD1-CE1 3.97Å; I1149-F1209 HydrophobicContact CD1-CZ 3.91Å; L1166-F1209 WeakPolarHBondContact O-CE1 3.46Å; I1170-F1209 HydrophobicContact CB-CZ 4.38Å; I1170-F1209 HydrophobicContact CG2-CZ 4.09Å; L1171-F1209 HydrophobicContact CB-CD1 4.14Å; L1171-F1209 HydrophobicContact CB-CD2 4.36Å; L1171-F1209 HydrophobicContact CB-CE1 4.04Å; L1171-F1209 HydrophobicContact CB-CE2 4.33Å; L1171-F1209 HydrophobicContact CB-CG 4.29Å; L1171-F1209 HydrophobicContact CB-CZ 4.16Å; L1171-F1209 HydrophobicContact CD1-CB 4.38Å; L1171-F1209 HydrophobicContact CD1-CD2 3.68Å; L1171-F1209 HydrophobicContact CD1-CE2 4.12Å; L1171-F1209 HydrophobicContact CD1-CG 4.01Å; I1205-F1209 HydrophobicContact CG2-CD2 3.83Å; I1205-F1209 HydrophobicContact CG2-CE2 4.07Å; I1205-F1209 WeakPolarHBondContact O-CD2 3.36Å; I1205-F1209 PolarHBondContact O-N 2.72Å; F1209-Q1212 PolarHBondContact O-N 3.32Å; F1209-I1214 HydrophobicContact CB-CD1 3.83Å; F1209-I1214 HydrophobicContact CD1-CD1 3.47Å; F1209-I1214 VanDerWaalsContact CD1-CD1 3.47Å; F1209-I1214 HydrophobicContact CE1-CD1 4.46Å; F1209-I1214 HydrophobicContact CG-CD1 4.06Å; F1209-I1214 WeakPolarHBondContact O-CB 3.2Å; F1209-I1214 PolarHBondContact O-N 3.22Å; F1209-L1219 HydrophobicContact CB-CD2 3.61Å
1210	E	81.2	Confident	80.7	Confident	88 Å²	88	61.1 Å²	61.1	41%	0.411	31%	0.31	S	S	.	.	H	α-helix	trans	-59.5	-47.3	168.1	-174.3	-177	-164.4	0	0	111.6	Y1206 Q1212 G1213 L1219	Y1206-E1210 WeakPolarHBondContact O-CB 3.44Å; Y1206-E1210 PolarHBondContact O-N 3.33Å; E1210-Q1212 PolarHBondContact O-N 3.04Å; E1210-G1213 PolarHBondContact O-N 2.99Å; E1210-L1219 HydrophobicContact CB-CD1 3.71Å; E1210-L1219 HydrophobicContact CG-CD1 4.27Å
1211	L	81.2	Confident	80.3	Confident	143 Å²	143	61.4 Å²	61.4	75%	0.749	32%	0.315	S	S	*	.	H	α-helix	trans	-62.1	-24.6	174.9	-75.7	167.2	0	0	0	113.3	S1207 D1208 G1213	S1207-L1211 WeakPolarHBondContact O-CB 3.27Å; S1207-L1211 WeakPolarHBondContact O-CD1 3.13Å; S1207-L1211 VanDerWaalsContact O-CG 3.28Å; S1207-L1211 WeakPolarHBondContact O-CG 3.33Å; S1207-L1211 PolarHBondContact O-N 3.09Å; S1207-L1211 VanDerWaalsContact O-N 3.09Å; D1208-L1211 PolarHBondContact O-N 3.12Å; L1211-G1213 PolarHBondContact O-N 2.9Å
1212	Q	74.3	Confident	80	Confident	58 Å²	58	70.7 Å²	70.7	27%	0.271	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	5.7	173.6	-63.4	-66.9	-25	0	0	113.1	I1149 D1208 F1209 E1210	I1149-Q1212 HydrophobicContact CG2-CG 4.12Å; D1208-Q1212 VanDerWaalsContact O-CG 3.27Å; D1208-Q1212 WeakPolarHBondContact O-CG 3.39Å; D1208-Q1212 PolarHBondContact O-N 3.01Å; D1208-Q1212 VanDerWaalsContact O-N 3.15Å; F1209-Q1212 PolarHBondContact O-N 3.32Å; E1210-Q1212 PolarHBondContact O-N 3.04Å
1213	G	73.2	Confident	79.9	Confident	68 Å²	68	71.8 Å²	71.8	70%	0.701	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	20.9	175.4	0	0	0	0	0	114.2	E1210 L1211	E1210-G1213 PolarHBondContact O-N 2.99Å; L1211-G1213 PolarHBondContact O-N 2.9Å
1214	I	73.5	Confident	79.8	Confident	11 Å²	11	66.9 Å²	66.9	6%	0.056	34%	0.34	C	S	.	.			trans	-81.6	127	176.1	-66.9	170.7	0	0	0	109.6	L1167 L1171 F1209 K1218 L1219	L1167-I1214 HydrophobicContact CB-CD1 4.1Å; L1167-I1214 HydrophobicContact CB-CG1 4.22Å; L1167-I1214 HydrophobicContact CD1-CB 3.76Å; L1167-I1214 HydrophobicContact CD1-CD1 3.83Å; L1167-I1214 HydrophobicContact CD1-CG1 3.46Å; L1167-I1214 VanDerWaalsContact CD1-CG1 3.46Å; L1167-I1214 HydrophobicContact CD1-CG2 3.11Å; L1167-I1214 HydrophobicContact CG-CG1 4.47Å; L1171-I1214 HydrophobicContact CD2-CD1 4.47Å; L1171-I1214 HydrophobicContact CD2-CG2 4.32Å; F1209-I1214 HydrophobicContact CB-CD1 3.83Å; F1209-I1214 HydrophobicContact CD1-CD1 3.47Å; F1209-I1214 VanDerWaalsContact CD1-CD1 3.47Å; F1209-I1214 HydrophobicContact CE1-CD1 4.46Å; F1209-I1214 HydrophobicContact CG-CD1 4.06Å; F1209-I1214 WeakPolarHBondContact O-CB 3.2Å; F1209-I1214 PolarHBondContact O-N 3.22Å; I1214-K1218 HydrophobicContact CG2-CB 4.09Å; I1214-L1219 HydrophobicContact CB-CD2 4.33Å; I1214-L1219 HydrophobicContact CG2-CD2 3.83Å; I1214-L1219 HydrophobicContact CG2-CG 3.89Å
1215	D	76.3	Confident	79.7	Confident	106 Å²	106	66.7 Å²	66.7	57%	0.567	34%	0.344	S	S	*	.			trans	-55.7	137.8	-179.4	-136.5	-18.6	0	0	0	112.7	E1217 K1218 L1219	D1215-E1217 PolarHBondContact O-N 2.91Å; D1215-E1217 VanDerWaalsContact O-N 3.17Å; D1215-K1218 WeakPolarHBondContact O-CA 3.19Å; D1215-K1218 WeakPolarHBondContact O-CB 3.29Å; D1215-K1218 PolarHBondContact O-N 3.23Å; D1215-L1219 PolarHBondContact O-N 2.81Å
1216	E	75.6	Confident	79.7	Confident	109 Å²	109	68.9 Å²	68.9	51%	0.509	36%	0.36	S	S	.	.	H	α-helix	trans	-58	-33.6	-176.6	-77.9	-167.2	147.7	0	0	112.6	K1218 L1219 N1220	E1216-K1218 PolarHBondContact O-N 2.83Å; E1216-L1219 PolarHBondContact O-N 2.93Å; E1216-N1220 WeakPolarHBondContact O-CB 3.43Å; E1216-N1220 PolarHBondContact O-N 2.84Å; E1216-N1220 PolarHBondContact O-ND2 2.92Å; E1216-N1220 VanDerWaalsContact O-ND2 3.08Å
1217	E	76.4	Confident	80	Confident	167 Å²	167	66.8 Å²	66.8	78%	0.78	35%	0.352	S	S	*	.	H	α-helix	trans	-60.8	-32.9	175.7	-68.9	-168	166.6	0	0	112.3	D1215	D1215-E1217 PolarHBondContact O-N 2.91Å; D1215-E1217 VanDerWaalsContact O-N 3.17Å
1218	K	72.8	Confident	80.2	Confident	101 Å²	101	67.4 Å²	67.4	44%	0.439	35%	0.352	S	S	.	.	H	α-helix	trans	-85.8	-22.8	178.7	-64.5	-176.1	-176.7	165.8	0	112.7	L1167 I1214 D1215 E1216 L1221	L1167-K1218 HydrophobicContact CD1-CB 4.11Å; L1167-K1218 HydrophobicContact CD1-CD 3.63Å; L1167-K1218 HydrophobicContact CD2-CD 3.77Å; L1167-K1218 HydrophobicContact CG-CD 4.14Å; I1214-K1218 HydrophobicContact CG2-CB 4.09Å; D1215-K1218 WeakPolarHBondContact O-CA 3.19Å; D1215-K1218 WeakPolarHBondContact O-CB 3.29Å; D1215-K1218 PolarHBondContact O-N 3.23Å; E1216-K1218 PolarHBondContact O-N 2.83Å; K1218-L1221 WeakPolarHBondContact O-CG 3.33Å
1219	L	72.7	Confident	80.4	Confident	2 Å²	2	73 Å²	73	1%	0.01	38%	0.375	C	S	.	.	H	α-helix	trans	-73.3	-39.1	170.3	-65.4	171.2	0	0	0	111.2	L1171 Y1206 F1209 E1210 I1214 D1215 E1216 L1221	L1171-L1219 HydrophobicContact CD1-CD2 4.4Å; L1171-L1219 HydrophobicContact CD2-CD2 3.78Å; Y1206-L1219 HydrophobicContact CD2-CB 4.04Å; Y1206-L1219 HydrophobicContact CE1-CD1 4.24Å; Y1206-L1219 HydrophobicContact CE2-CB 3.63Å; Y1206-L1219 HydrophobicContact CE2-CD1 4.33Å; F1209-L1219 HydrophobicContact CB-CD2 3.61Å; E1210-L1219 HydrophobicContact CB-CD1 3.71Å; E1210-L1219 HydrophobicContact CG-CD1 4.27Å; I1214-L1219 HydrophobicContact CB-CD2 4.33Å; I1214-L1219 HydrophobicContact CG2-CD2 3.83Å; I1214-L1219 HydrophobicContact CG2-CG 3.89Å; D1215-L1219 PolarHBondContact O-N 2.81Å; E1216-L1219 PolarHBondContact O-N 2.93Å; L1219-L1221 PolarHBondContact O-N 2.83Å
1220	N	76.7	Confident	80.5	Confident	77 Å²	77	75.5 Å²	75.5	41%	0.412	39%	0.385	S	S	.	.	S	Bend	trans	-81.8	45.1	-177.5	-73.3	-52.5	0	0	0	113.8	Y1206 E1216	Y1206-N1220 PolarHBondContact OH-ND2 2.83Å; E1216-N1220 WeakPolarHBondContact O-CB 3.43Å; E1216-N1220 PolarHBondContact O-N 2.84Å; E1216-N1220 PolarHBondContact O-ND2 2.92Å; E1216-N1220 VanDerWaalsContact O-ND2 3.08Å
1221	L	79.6	Confident	80.7	Confident	57 Å²	57	72 Å²	72	30%	0.298	37%	0.368	S	S	.	.			trans	-61.6	147.1	173.5	-72.2	163.9	0	0	0	111	F1172 L1175 K1218 L1219 T1223 Y1224 T1225	F1172-L1221 HydrophobicContact CD2-CD1 4.1Å; L1175-L1221 HydrophobicContact CD1-CD1 4Å; K1218-L1221 WeakPolarHBondContact O-CG 3.33Å; L1219-L1221 PolarHBondContact O-N 2.83Å; L1221-T1223 PolarHBondContact O-N 2.87Å; L1221-Y1224 WeakPolarHBondContact O-CA 3.23Å; L1221-Y1224 WeakPolarHBondContact O-CB 3.48Å; L1221-Y1224 PolarHBondContact O-N 2.81Å; L1221-T1225 PolarHBondContact O-N 2.86Å; L1221-T1225 VanDerWaalsContact O-N 3.14Å; L1221-T1225 PolarHBondContact O-OG1 3.5Å
1222	K	83.9	Confident	80.8	Confident	195 Å²	195	70.4 Å²	70.4	85%	0.848	36%	0.357	S	S	*	.	H	α-helix	trans	-50.2	-36	175.1	-68.8	-177.2	179.6	178.1	0	112.6	S1226	K1222-S1226 WeakPolarHBondContact O-CB 3.42Å; K1222-S1226 PolarHBondContact O-N 2.78Å
1223	T	85	Confident	81.2	Confident	23 Å²	23	73 Å²	73	14%	0.141	37%	0.372	C	S	.	.	H	α-helix	trans	-62.9	-44.7	175.2	-46.1	0	0	0	0	112.1	L1175 Q1176 N1179 L1221 S1226 I1227	L1175-T1223 HydrophobicContact CB-CG2 4.21Å; Q1176-T1223 PolarHBondContact NE2-OG1 2.87Å; N1179-T1223 HydrophobicContact CB-CG2 3.5Å; L1221-T1223 PolarHBondContact O-N 2.87Å; T1223-S1226 WeakPolarHBondContact O-CB 3.41Å; T1223-S1226 PolarHBondContact O-N 2.77Å; T1223-I1227 HydrophobicContact CG2-CD1 4.27Å; T1223-I1227 VanDerWaalsContact O-CG1 3.28Å; T1223-I1227 WeakPolarHBondContact O-CG1 3.38Å; T1223-I1227 PolarHBondContact O-N 2.74Å
1224	Y	85	Confident	81.5	Confident	34 Å²	34	70.6 Å²	70.6	13%	0.133	34%	0.343	C	S	.	.	H	α-helix	trans	-60.6	-49.1	176.3	177.3	-98.7	0	0	0	110.9	L1175 M1202 Y1206 L1221 S1226 I1227 I1228	L1175-Y1224 HydrophobicContact CD2-CD2 3.8Å; M1202-Y1224 HydrophobicContact CE-CD2 3.34Å; M1202-Y1224 HydrophobicContact CE-CE2 3.48Å; M1202-Y1224 VanDerWaalsContact CE-CE2 3.48Å; M1202-Y1224 HydrophobicContact CE-CG 4.38Å; Y1206-Y1224 HydrophobicContact CD2-CD1 4.4Å; Y1206-Y1224 AromaticContact CD2-CE1 3.68Å; Y1206-Y1224 HydrophobicContact CD2-CE1 3.68Å; Y1206-Y1224 AromaticContact CD2-CE2 3.92Å; Y1206-Y1224 HydrophobicContact CD2-CE2 3.92Å; Y1206-Y1224 AromaticContact CD2-CZ 3.41Å; Y1206-Y1224 VanDerWaalsContact CD2-CZ 3.41Å; Y1206-Y1224 WeakPolarHBondContact CD2-OH 3.48Å; Y1206-Y1224 HydrophobicContact CE2-CE1 4.02Å; L1221-Y1224 WeakPolarHBondContact O-CA 3.23Å; L1221-Y1224 WeakPolarHBondContact O-CB 3.48Å; L1221-Y1224 PolarHBondContact O-N 2.81Å; Y1224-S1226 VanDerWaalsContact C-N 3.27Å; Y1224-S1226 PolarHBondContact O-N 2.96Å; Y1224-I1227 PolarHBondContact O-N 3.38Å; Y1224-I1228 HydrophobicContact CD1-CG1 4.22Å; Y1224-I1228 HydrophobicContact CD2-CG1 4.47Å; Y1224-I1228 HydrophobicContact CE1-CG1 3.8Å; Y1224-I1228 HydrophobicContact CE2-CD1 4.24Å; Y1224-I1228 HydrophobicContact CE2-CG1 4.07Å; Y1224-I1228 WeakPolarHBondContact O-CG1 3.38Å; Y1224-I1228 PolarHBondContact O-N 2.89Å
1225	T	85.9	Confident	81.7	Confident	57 Å²	57	75 Å²	75	35%	0.35	36%	0.363	S	S	.	.	H	α-helix	trans	-60.4	-37.8	177.2	-42.6	0	0	0	0	112.1	L1221 K1229	L1221-T1225 PolarHBondContact O-N 2.86Å; L1221-T1225 VanDerWaalsContact O-N 3.14Å; L1221-T1225 PolarHBondContact O-OG1 3.5Å; T1225-K1229 HydrophobicContact CG2-CD 4.41Å; T1225-K1229 WeakPolarHBondContact O-CB 3.34Å; T1225-K1229 VanDerWaalsContact O-CG 3.28Å; T1225-K1229 WeakPolarHBondContact O-CG 3.26Å; T1225-K1229 PolarHBondContact O-N 2.88Å
1226	S	87	Confident	81.7	Confident	52 Å²	52	73.5 Å²	73.5	36%	0.364	36%	0.358	S	S	.	.	H	α-helix	trans	-61.8	-48.4	176	-176.4	0	0	0	0	111.9	K1222 T1223 Y1224 K1229 R1230	K1222-S1226 WeakPolarHBondContact O-CB 3.42Å; K1222-S1226 PolarHBondContact O-N 2.78Å; T1223-S1226 WeakPolarHBondContact O-CB 3.41Å; T1223-S1226 PolarHBondContact O-N 2.77Å; Y1224-S1226 VanDerWaalsContact C-N 3.27Å; Y1224-S1226 PolarHBondContact O-N 2.96Å; S1226-K1229 PolarHBondContact O-N 2.85Å; S1226-R1230 PolarHBondContact O-N 2.95Å
1227	I	88.6	Confident	81.6	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-60.8	-49.6	177.3	-64.6	160.6	0	0	0	110.6	L1175 I1178 N1179 L1182 M1202 T1223 Y1224 K1229 R1230 M1231	L1175-I1227 HydrophobicContact CB-CD1 4.35Å; L1175-I1227 HydrophobicContact CD2-CD1 4.06Å; L1175-I1227 WeakPolarHBondContact O-CD1 3.37Å; I1178-I1227 HydrophobicContact CB-CD1 4.18Å; I1178-I1227 HydrophobicContact CG2-CD1 4.05Å; I1178-I1227 HydrophobicContact CG2-CG1 4.32Å; I1178-I1227 HydrophobicContact CG2-CG2 3.91Å; N1179-I1227 HydrophobicContact CB-CD1 3.96Å; N1179-I1227 HydrophobicContact CB-CG1 3.8Å; L1182-I1227 HydrophobicContact CD1-CB 4.31Å; L1182-I1227 HydrophobicContact CD1-CG1 4.28Å; L1182-I1227 HydrophobicContact CD1-CG2 3.69Å; M1202-I1227 HydrophobicContact CE-CB 3.94Å; M1202-I1227 HydrophobicContact CE-CD1 3.88Å; M1202-I1227 HydrophobicContact CE-CG2 3.58Å; M1202-I1227 HydrophobicContact CG-CG2 3.88Å; M1202-I1227 HydrophobicContact SD-CD1 4.18Å; M1202-I1227 HydrophobicContact SD-CG2 3.77Å; T1223-I1227 HydrophobicContact CG2-CD1 4.27Å; T1223-I1227 VanDerWaalsContact O-CG1 3.28Å; T1223-I1227 WeakPolarHBondContact O-CG1 3.38Å; T1223-I1227 PolarHBondContact O-N 2.74Å; Y1224-I1227 PolarHBondContact O-N 3.38Å; I1227-K1229 VanDerWaalsContact C-N 3.31Å; I1227-K1229 PolarHBondContact O-N 2.77Å; I1227-R1230 PolarHBondContact O-N 2.7Å; I1227-R1230 VanDerWaalsContact O-N 3.14Å; I1227-M1231 HydrophobicContact CG2-CG 4.15Å; I1227-M1231 VanDerWaalsContact O-CG 3.31Å; I1227-M1231 WeakPolarHBondContact O-CG 3.48Å; I1227-M1231 PolarHBondContact O-N 3.32Å
1228	I	87.7	Confident	81.3	Confident	45 Å²	45	65.1 Å²	65.1	23%	0.231	33%	0.328	C	S	.	.	H	α-helix	trans	-61	-40.6	-179.2	-67.7	-64.1	0	0	0	111.4	M1202 Y1224 M1231 H1232	M1202-I1228 HydrophobicContact CB-CD1 4.22Å; M1202-I1228 HydrophobicContact CE-CD1 4.36Å; Y1224-I1228 HydrophobicContact CD1-CG1 4.22Å; Y1224-I1228 HydrophobicContact CD2-CG1 4.47Å; Y1224-I1228 HydrophobicContact CE1-CG1 3.8Å; Y1224-I1228 HydrophobicContact CE2-CD1 4.24Å; Y1224-I1228 HydrophobicContact CE2-CG1 4.07Å; Y1224-I1228 WeakPolarHBondContact O-CG1 3.38Å; Y1224-I1228 PolarHBondContact O-N 2.89Å; I1228-M1231 PolarHBondContact O-N 3.5Å; I1228-H1232 WeakPolarHBondContact O-CB 3.49Å; I1228-H1232 PolarHBondContact O-N 3.1Å
1229	K	87.4	Confident	81	Confident	139 Å²	139	63.5 Å²	63.5	60%	0.604	33%	0.329	S	S	*	.	H	α-helix	trans	-61	-44.7	174	-78.3	176.9	177.8	-178.7	0	112.1	T1225 S1226 I1227 H1232 L1233	T1225-K1229 HydrophobicContact CG2-CD 4.41Å; T1225-K1229 WeakPolarHBondContact O-CB 3.34Å; T1225-K1229 VanDerWaalsContact O-CG 3.28Å; T1225-K1229 WeakPolarHBondContact O-CG 3.26Å; T1225-K1229 PolarHBondContact O-N 2.88Å; S1226-K1229 PolarHBondContact O-N 2.85Å; I1227-K1229 VanDerWaalsContact C-N 3.31Å; I1227-K1229 PolarHBondContact O-N 2.77Å; K1229-H1232 PolarHBondContact O-N 2.9Å; K1229-L1233 PolarHBondContact O-N 2.81Å
1230	R	86	Confident	80.7	Confident	54 Å²	54	68.4 Å²	68.4	20%	0.204	36%	0.355	C	S	.	.	H	α-helix	trans	-62.6	-44.9	175.9	176.7	56.5	-177.4	-123.7	-3.2	111.3	L1182 R1185 H1186 R1188 S1226 I1227 H1232 L1233 E1234	L1182-R1230 HydrophobicContact CD1-CG 4.4Å; L1182-R1230 HydrophobicContact CD2-CG 4.35Å; R1185-R1230 PolarHBondContact O-NH2 2.88Å; H1186-R1230 VanDerWaalsContact CA-NH1 3.28Å; H1186-R1230 PolarHBondContact O-NH1 3.1Å; H1186-R1230 PolarHBondContact O-NH2 2.85Å; R1188-R1230 PolarHBondContact O-NH2 2.98Å; R1188-R1230 VanDerWaalsContact O-NH2 3.13Å; S1226-R1230 PolarHBondContact O-N 2.95Å; I1227-R1230 PolarHBondContact O-N 2.7Å; I1227-R1230 VanDerWaalsContact O-N 3.14Å; R1230-H1232 PolarHBondContact O-N 2.86Å; R1230-L1233 WeakPolarHBondContact O-CB 3.48Å; R1230-L1233 PolarHBondContact O-N 2.81Å; R1230-E1234 IonicContact CZ-OE1 2.85Å; R1230-E1234 IonicContact NE-OE1 3.98Å; R1230-E1234 PolarHBondContact NE-OE1 3.4Å; R1230-E1234 IonicContact NH2-OE1 2.93Å; R1230-E1234 PolarHBondContact NH2-OE1 2.84Å; R1230-E1234 WeakPolarHBondContact O-CG 3.37Å; R1230-E1234 PolarHBondContact O-N 2.56Å
1231	M	85.1	Confident	79.8	Confident	14 Å²	14	68 Å²	68	7%	0.069	36%	0.358	C	S	.	.	H	α-helix	trans	-61.6	-42.1	178.3	-71.1	-62	-55.5	0	0	112.2	L1190 M1195 L1198 I1227 I1228 E1234 E1235	L1190-M1231 HydrophobicContact CD1-SD 4.36Å; M1195-M1231 HydrophobicContact CB-CE 4.41Å; M1195-M1231 WeakPolarHBondContact O-CE 3.49Å; L1198-M1231 HydrophobicContact CB-CE 3.89Å; L1198-M1231 HydrophobicContact CB-SD 3.89Å; L1198-M1231 HydrophobicContact CD1-SD 4.4Å; I1227-M1231 HydrophobicContact CG2-CG 4.15Å; I1227-M1231 VanDerWaalsContact O-CG 3.31Å; I1227-M1231 WeakPolarHBondContact O-CG 3.48Å; I1227-M1231 PolarHBondContact O-N 3.32Å; I1228-M1231 PolarHBondContact O-N 3.5Å; M1231-E1234 PolarHBondContact O-N 2.9Å; M1231-E1235 WeakPolarHBondContact O-CB 3.2Å; M1231-E1235 PolarHBondContact O-N 2.87Å
1232	H	84.2	Confident	78.6	Confident	109 Å²	109	71.5 Å²	71.5	51%	0.505	37%	0.373	S	S	.	.	H	α-helix	trans	-65.7	-39.7	175.4	-89.3	-51	0	0	0	113	I1228 K1229 R1230 E1235 T1236	I1228-H1232 WeakPolarHBondContact O-CB 3.49Å; I1228-H1232 PolarHBondContact O-N 3.1Å; K1229-H1232 PolarHBondContact O-N 2.9Å; R1230-H1232 PolarHBondContact O-N 2.86Å; H1232-E1235 IonicContact ND1-OE2 3.75Å; H1232-E1235 PolarHBondContact O-N 2.92Å; H1232-T1236 WeakPolarHBondContact O-CB 3.47Å; H1232-T1236 PolarHBondContact O-N 2.83Å; H1232-T1236 PolarHBondContact O-OG1 3.12Å
1233	L	83.4	Confident	77	Confident	114 Å²	114	65.4 Å²	65.4	60%	0.597	36%	0.355	S	S	*	.	H	α-helix	trans	-60.2	-46.2	174.2	-92.8	155.7	0	0	0	111.2	K1229 R1230 T1236 T1237	K1229-L1233 PolarHBondContact O-N 2.81Å; R1230-L1233 WeakPolarHBondContact O-CB 3.48Å; R1230-L1233 PolarHBondContact O-N 2.81Å; L1233-T1236 PolarHBondContact O-N 3.45Å; L1233-T1237 PolarHBondContact O-N 2.71Å; L1233-T1237 PolarHBondContact O-OG1 2.82Å; L1233-T1237 VanDerWaalsContact O-OG1 3.04Å
1234	E	79.4	Confident	75.2	Confident	17 Å²	17	67.6 Å²	67.6	8%	0.079	37%	0.371	C	S	.	.	H	α-helix	trans	-64.1	-44	177.3	-69.2	-72.2	170.6	0	0	112.2	L1190 M1195 R1230 M1231 T1236 T1237 A1238	L1190-E1234 HydrophobicContact CD1-CB 4.43Å; L1190-E1234 HydrophobicContact CD1-CG 3.9Å; L1190-E1234 HydrophobicContact CG-CG 4.14Å; L1190-E1234 PolarHBondContact N-OE2 2.96Å; L1190-E1234 VanDerWaalsContact N-OE2 3.16Å; M1195-E1234 HydrophobicContact CG-CB 4.34Å; M1195-E1234 HydrophobicContact SD-CB 3.76Å; R1230-E1234 IonicContact CZ-OE1 2.85Å; R1230-E1234 IonicContact NE-OE1 3.98Å; R1230-E1234 PolarHBondContact NE-OE1 3.4Å; R1230-E1234 IonicContact NH2-OE1 2.93Å; R1230-E1234 PolarHBondContact NH2-OE1 2.84Å; R1230-E1234 WeakPolarHBondContact O-CG 3.37Å; R1230-E1234 PolarHBondContact O-N 2.56Å; M1231-E1234 PolarHBondContact O-N 2.9Å; E1234-T1236 VanDerWaalsContact C-N 3.29Å; E1234-T1236 PolarHBondContact O-N 3.32Å; E1234-T1237 PolarHBondContact O-N 2.86Å; E1234-A1238 VanDerWaalsContact O-CB 3.26Å; E1234-A1238 WeakPolarHBondContact O-CB 3.35Å; E1234-A1238 PolarHBondContact O-N 3.05Å
1235	E	76.3	Confident	73.4	Confident	102 Å²	102	68.8 Å²	68.8	48%	0.477	39%	0.385	S	S	.	.	H	α-helix	trans	-62.7	-36.9	176.9	-168.1	172.7	-152.5	0	0	111.8	M1231 H1232 S1239	M1231-E1235 WeakPolarHBondContact O-CB 3.2Å; M1231-E1235 PolarHBondContact O-N 2.87Å; H1232-E1235 IonicContact ND1-OE2 3.75Å; H1232-E1235 PolarHBondContact O-N 2.92Å; E1235-S1239 WeakPolarHBondContact O-CB 3.36Å; E1235-S1239 PolarHBondContact O-N 2.78Å; E1235-S1239 PolarHBondContact O-OG 3.03Å
1236	T	77.5	Confident	71.4	Confident	75 Å²	75	76 Å²	76	46%	0.46	41%	0.406	S	S	.	.	H	α-helix	trans	-68.1	-45	173.7	-51.6	0	0	0	0	111.3	H1232 L1233 E1234 S1239 L1240	H1232-T1236 WeakPolarHBondContact O-CB 3.47Å; H1232-T1236 PolarHBondContact O-N 2.83Å; H1232-T1236 PolarHBondContact O-OG1 3.12Å; L1233-T1236 PolarHBondContact O-N 3.45Å; E1234-T1236 VanDerWaalsContact C-N 3.29Å; E1234-T1236 PolarHBondContact O-N 3.32Å; T1236-S1239 WeakPolarHBondContact CA-OG 3.48Å; T1236-S1239 PolarHBondContact O-OG 3.19Å; T1236-L1240 HydrophobicContact CG2-CD1 4.19Å; T1236-L1240 WeakPolarHBondContact O-CB 3.42Å; T1236-L1240 VanDerWaalsContact O-CG 3.22Å; T1236-L1240 WeakPolarHBondContact O-CG 3.17Å; T1236-L1240 PolarHBondContact O-N 2.92Å
1237	T	74	Confident	69.3	Low	75 Å²	75	77.1 Å²	77.1	46%	0.46	41%	0.413	S	S	.	.	H	α-helix	trans	-63.8	-42.3	176.6	-60.3	0	0	0	0	111.7	L1233 E1234 L1240 S1241	L1233-T1237 PolarHBondContact O-N 2.71Å; L1233-T1237 PolarHBondContact O-OG1 2.82Å; L1233-T1237 VanDerWaalsContact O-OG1 3.04Å; E1234-T1237 PolarHBondContact O-N 2.86Å; T1237-L1240 PolarHBondContact O-N 3.26Å; T1237-S1241 PolarHBondContact O-N 2.88Å
1238	A	68.3	Low	67.1	Low	26 Å²	26	86.6 Å²	86.6	22%	0.215	45%	0.449	C	S	.	.	H	α-helix	trans	-62.4	-47.1	178.4	0	0	0	0	0	111.9	M1195 E1234 L1240 S1241 E1242	M1195-A1238 HydrophobicContact CE-CB 3.53Å; M1195-A1238 HydrophobicContact SD-CB 4.01Å; E1234-A1238 VanDerWaalsContact O-CB 3.26Å; E1234-A1238 WeakPolarHBondContact O-CB 3.35Å; E1234-A1238 PolarHBondContact O-N 3.05Å; A1238-L1240 VanDerWaalsContact C-N 3.33Å; A1238-L1240 PolarHBondContact O-N 3.45Å; A1238-S1241 PolarHBondContact O-N 2.89Å; A1238-S1241 VanDerWaalsContact O-N 3.1Å; A1238-S1241 PolarHBondContact O-OG 2.81Å; A1238-E1242 PolarHBondContact O-N 3.42Å
1239	S	66.9	Low	64.7	Low	66 Å²	66	92.6 Å²	92.6	46%	0.462	47%	0.474	S	S	.	.	H	α-helix	trans	-64.7	-33.6	176.2	50.7	0	0	0	0	113.2	E1235 T1236 S1243	E1235-S1239 WeakPolarHBondContact O-CB 3.36Å; E1235-S1239 PolarHBondContact O-N 2.78Å; E1235-S1239 PolarHBondContact O-OG 3.03Å; T1236-S1239 WeakPolarHBondContact CA-OG 3.48Å; T1236-S1239 PolarHBondContact O-OG 3.19Å; S1239-S1243 WeakPolarHBondContact O-CB 3.31Å; S1239-S1243 PolarHBondContact O-N 3.25Å; S1239-S1243 PolarHBondContact O-OG 2.94Å
1240	L	66.2	Low	62.4	Low	106 Å²	106	90 Å²	90	56%	0.555	47%	0.473	S	S	*	.	H	α-helix	trans	-67.6	-34.2	170.5	-70.6	169.3	0	0	0	112.7	T1236 T1237 A1238 S1243 S1244	T1236-L1240 HydrophobicContact CG2-CD1 4.19Å; T1236-L1240 WeakPolarHBondContact O-CB 3.42Å; T1236-L1240 VanDerWaalsContact O-CG 3.22Å; T1236-L1240 WeakPolarHBondContact O-CG 3.17Å; T1236-L1240 PolarHBondContact O-N 2.92Å; T1237-L1240 PolarHBondContact O-N 3.26Å; A1238-L1240 VanDerWaalsContact C-N 3.33Å; A1238-L1240 PolarHBondContact O-N 3.45Å; L1240-S1243 WeakPolarHBondContact CA-OG 3.08Å; L1240-S1243 PolarHBondContact O-OG 3.22Å; L1240-S1244 PolarHBondContact O-N 3.11Å; L1240-S1244 PolarHBondContact O-OG 3.16Å
1241	S	59.5	Low	60.2	Low	68 Å²	68	94.4 Å²	94.4	48%	0.476	50%	0.5	S	S	.	.	H	α-helix	trans	-75.4	-38.3	176.2	78.9	0	0	0	0	113.2	T1237 A1238 S1244 S1245	T1237-S1241 PolarHBondContact O-N 2.88Å; A1238-S1241 PolarHBondContact O-N 2.89Å; A1238-S1241 VanDerWaalsContact O-N 3.1Å; A1238-S1241 PolarHBondContact O-OG 2.81Å; S1241-S1244 PolarHBondContact O-N 3.05Å; S1241-S1245 PolarHBondContact O-N 3.49Å; S1241-S1245 PolarHBondContact O-OG 3.37Å
1242	E	54.5	Low	57.8	Low	131 Å²	131	102.7 Å²	102.7	61%	0.612	54%	0.536	S	S	*	.	H	α-helix	trans	-66.6	-39.5	174.1	-83.3	-166	161.9	0	0	111.5	A1238 S1244 S1245 R1246	A1238-E1242 PolarHBondContact O-N 3.42Å; E1242-S1244 VanDerWaalsContact C-N 3.31Å; E1242-S1244 PolarHBondContact O-N 3.31Å; E1242-S1245 WeakPolarHBondContact CA-OG 3.43Å; E1242-S1245 PolarHBondContact O-N 3.33Å; E1242-S1245 PolarHBondContact O-OG 3.39Å; E1242-R1246 PolarHBondContact O-N 2.94Å
1243	S	49.8	Very low	55.3	Low	66 Å²	66	104.5 Å²	104.5	46%	0.462	55%	0.549	S	S	.	.	H	α-helix	trans	-65.2	-34.3	173.3	52.5	0	0	0	0	112.4	S1239 L1240 S1247	S1239-S1243 WeakPolarHBondContact O-CB 3.31Å; S1239-S1243 PolarHBondContact O-N 3.25Å; S1239-S1243 PolarHBondContact O-OG 2.94Å; L1240-S1243 WeakPolarHBondContact CA-OG 3.08Å; L1240-S1243 PolarHBondContact O-OG 3.22Å; S1243-S1247 PolarHBondContact O-N 3.48Å; S1243-S1247 VanDerWaalsContact O-N 3.13Å
1244	S	47.1	Very low	52.8	Low	69 Å²	69	102.2 Å²	102.2	48%	0.483	55%	0.553	S	S	.	*	H	α-helix	trans	-72.7	-27.7	174.2	-62.5	0	0	0	0	114.1	L1240 S1241 E1242 S1247	L1240-S1244 PolarHBondContact O-N 3.11Å; L1240-S1244 PolarHBondContact O-OG 3.16Å; S1241-S1244 PolarHBondContact O-N 3.05Å; E1242-S1244 VanDerWaalsContact C-N 3.31Å; E1242-S1244 PolarHBondContact O-N 3.31Å; S1244-S1247 PolarHBondContact O-OG 3.12Å; S1244-S1247 VanDerWaalsContact O-OG 3.07Å
1245	S	46.5	Very low	51	Low	59 Å²	59	107.8 Å²	107.8	41%	0.413	59%	0.591	S	S	.	*	H	α-helix	trans	-82.8	-32.5	174.2	53.6	0	0	0	0	112.2	S1241 E1242 S1247 R1248 F1249	S1241-S1245 PolarHBondContact O-N 3.49Å; S1241-S1245 PolarHBondContact O-OG 3.37Å; E1242-S1245 WeakPolarHBondContact CA-OG 3.43Å; E1242-S1245 PolarHBondContact O-N 3.33Å; E1242-S1245 PolarHBondContact O-OG 3.39Å; S1245-S1247 VanDerWaalsContact C-N 3.34Å; S1245-S1247 PolarHBondContact O-N 2.91Å; S1245-R1248 PolarHBondContact O-N 2.94Å; S1245-F1249 PolarHBondContact O-N 2.59Å
1246	R	43.6	Very low	49	Very low	210 Å²	210	107.7 Å²	107.7	79%	0.792	61%	0.607	S	S	*	*	H	α-helix	trans	-65.2	-31.6	168.7	-94.7	-177.8	170	176	-1.3	113.4	E1242 R1248 F1249 S1250	E1242-R1246 PolarHBondContact O-N 2.94Å; R1246-R1248 PolarHBondContact O-N 3.08Å; R1246-F1249 PolarHBondContact O-N 2.84Å; R1246-S1250 PolarHBondContact O-N 3.17Å
1247	S	43.5	Very low	46.7	Very low	75 Å²	75	113.7 Å²	113.7	52%	0.524	63%	0.627	S	S	.	*	H	α-helix	trans	-69.8	-20.1	174.5	79.8	0	0	0	0	113.4	S1243 S1244 S1245 S1250	S1243-S1247 PolarHBondContact O-N 3.48Å; S1243-S1247 VanDerWaalsContact O-N 3.13Å; S1244-S1247 PolarHBondContact O-OG 3.12Å; S1244-S1247 VanDerWaalsContact O-OG 3.07Å; S1245-S1247 VanDerWaalsContact C-N 3.34Å; S1245-S1247 PolarHBondContact O-N 2.91Å; S1247-S1250 PolarHBondContact O-OG 2.91Å
1248	R	42	Very low	44.6	Very low	199 Å²	199	121.4 Å²	121.4	75%	0.751	67%	0.666	S	S	*	*	H	α-helix	trans	-84.1	-23.3	174.5	-114.1	-174.4	-76.2	177.2	-4	113.8	S1245 R1246	S1245-R1248 PolarHBondContact O-N 2.94Å; R1246-R1248 PolarHBondContact O-N 3.08Å
1249	F	38.5	Very low	43.4	Very low	171 Å²	171	126.2 Å²	126.2	75%	0.75	69%	0.688	S	S	*	*	H	α-helix	trans	-89.6	-6.2	176.4	-86.5	-81.2	0	0	0	114.4	S1245 R1246 L1251	S1245-F1249 PolarHBondContact O-N 2.59Å; R1246-F1249 PolarHBondContact O-N 2.84Å; F1249-L1251 VanDerWaalsContact C-N 3.25Å; F1249-L1251 PolarHBondContact O-N 2.67Å
1250	S	38.5	Very low	42.2	Very low	84 Å²	84	129.4 Å²	129.4	59%	0.587	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-77.1	-5.8	173.3	65.2	0	0	0	0	114.3	R1246 S1247	R1246-S1250 PolarHBondContact O-N 3.17Å; S1247-S1250 PolarHBondContact O-OG 2.91Å
1251	L	38.5	Very low	40.9	Very low	147 Å²	147	130.7 Å²	130.7	77%	0.77	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-87.2	-1.3	177.1	-85.5	162.6	0	0	0	114.8	F1249	F1249-L1251 VanDerWaalsContact C-N 3.25Å; F1249-L1251 PolarHBondContact O-N 2.67Å
1252	F	36.3	Very low	39.8	Very low	188 Å²	188	134.4 Å²	134.4	83%	0.825	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-119.2	25.5	177	-91.3	-76.5	0	0	0	114.8
1253	N	31.1	Very low	38.8	Very low	147 Å²	147	134.6 Å²	134.6	79%	0.786	73%	0.729	S	S	*	*			trans	-119.8	85.6	163.1	-84.1	-16.5	0	0	0	110.1
1254	G	30.4	Very low	38.1	Very low	65 Å²	65	139.1 Å²	139.1	67%	0.67	75%	0.746	S	S	*	*			trans	-62.3	156.4	153.2	0	0	0	0	0	110.3	A1256	G1254-A1256 PolarHBondContact O-N 2.92Å
1255	P	41.6	Very low	37.5	Very low	135 Å²	135	144.1 Å²	144.1	88%	0.877	77%	0.765	S	S	*	*			trans	-78.2	118.9	-147.8	30.7	-33.8	0	0	0	112.3
1256	A	33.9	Very low	36.8	Very low	100 Å²	100	150.7 Å²	150.7	83%	0.826	79%	0.792	S	S	*	*			trans	-85.9	113.2	162.1	0	0	0	0	0	108.7	G1254 N1258	G1254-A1256 PolarHBondContact O-N 2.92Å; A1256-N1258 PolarHBondContact O-N 3.37Å
1257	K	29.8	Very low	36.2	Very low	201 Å²	201	145.8 Å²	145.8	87%	0.874	79%	0.792	S	S	*	*			trans	-61.6	109.4	164.4	-77.3	177.3	172.5	178	0	109.4
1258	N	30.4	Very low	35.5	Very low	237 Å²	237	152.2 Å²	152.2	100%	1.267	82%	0.817	S	S	*	*			trans	163.7	0	135.9	-89	-10.7	0	0	0	109.4	A1256	A1256-N1258 PolarHBondContact O-N 3.37Å

Retrieved 1,258 of 1,258 residues in 499.6 ms (Link to these results)

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