A0A087XCM4_POEFO Loading...

procollagen-proline 3-dioxygenase

AlphaFold DB , UniProt , Accession A0A087XCM4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 829 aa.

						>A0A087XCM4_POEFO|A0A087XCM4
MGPRNALIWTCLWLTAGFCRPDSSLSNLTLVPYDFLFDAAVEAYYRGDWLAVILNMEKALRNKATVRNVKVQCRLRCDNQSALGEPLRGLEFPIPGAGSVEDLSFFQNILKRADCVNSCETEKLGSPTLHQVSEEVELEFGKRTPYNYLQVAYFKINKLDKAVAAAHTFSQANPDHLEMKQNLEYYRMMARVEEENFRDLEAKPHMAEFLLGKSFYSDDSFGLAAKHFENALEEYFTAYKECRALCEGGYRFDGYTYMEYSADLFQAMTDHYMQLLNCKQHCSVELASAAGRDAPFEDFLPSHFNYLQFSYYNSEKYEQAIECAKTFLLFHPEDEMMNQNLNYYSAVLGEEKAAAISARQVVKQYIQQSILEKELLYFGYEAFGITFVDPDTWTPEDVMPKKLRNKHKAERETAARITEEIGNLMKEIETLVEEKKKDSTDMAKIIAPQEGGAVLFDNIRVTMTSMQLNGSHRVLLDEVISDDDCRELQRLSNAAALKGDGYSGHPSPHTPSEMFQGVTVLKAIKLGQEGKVPLKSARMFFDLSEKVRKVLESYFRLDTPLYFSYSHLVCRSAIDEKQEDRKDLSHPVHVDNCVLVSDLNQCKKEPPAYTHRDYSAILYLNDDFEGGEFIFTELDAKTVTAEVHPRCGRVVGFGAGKENPHGVRAVTKGQRCAVALWFTLDPTHEEKERIQAQDMLNMFSTPVNEEFSQKESQDSGESGPAASQADQLATDKREKKPDTASAGKSADWPEGTTEKKRTTKPAAKAKAPAKAKNKPGDATKAAAGTKAAKQKVKQGSKKGAAPAVKKTIKGSSEKDSASASDNESGKDEL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.3	Very low	29.8	Very low	248 Å²	248	156.1 Å²	156.1	100%	1.222	84%	0.842	S	S	*	*				0	151.7	0	-72.5	168.3	169.6	0	0	108.3
2	G	33.6	Very low	29.7	Very low	71 Å²	71	156.8 Å²	156.8	73%	0.732	84%	0.844	S	S	*	*			trans	-77.2	-168.2	167.4	0	0	0	0	0	111.9
3	P	42.2	Very low	29.7	Very low	115 Å²	115	164.3 Å²	164.3	75%	0.747	85%	0.853	S	S	*	*			cis	-125.7	140.7	31.5	40.7	-26.5	0	0	0	115.1
4	R	30.6	Very low	29.4	Very low	226 Å²	226	163.8 Å²	163.8	85%	0.853	85%	0.851	S	S	*	*				76.1	113.9	102.1	-67.1	-179.6	162	179.7	-5.8	117.5
5	N	28.3	Very low	29.5	Very low	157 Å²	157	163 Å²	163	84%	0.84	86%	0.856	S	S	*	*				52.7	145.2	124.2	-60	23.5	0	0	0	121.5
6	A	26.7	Very low	29.6	Very low	74 Å²	74	157.3 Å²	157.3	61%	0.612	84%	0.839	S	S	*	*			cis	-173.5	174.5	-15	0	0	0	0	0	109.4
7	L	28.4	Very low	29.4	Very low	161 Å²	161	153 Å²	153	84%	0.843	84%	0.842	S	S	*	*			trans	63.9	95.3	159.6	-70.3	147.2	0	0	0	117.3
8	I	27.8	Very low	29.4	Very low	158 Å²	158	155.1 Å²	155.1	81%	0.81	84%	0.841	S	S	*	*				174	115.5	107.5	-83.3	151.9	0	0	0	106.6
9	W	27.1	Very low	29.2	Very low	248 Å²	248	153.2 Å²	153.2	94%	0.939	84%	0.839	S	S	*	*			trans	176.5	88.7	155.6	-113.9	55.5	0	0	0	110.7
10	T	26.4	Very low	29.1	Very low	135 Å²	135	156.3 Å²	156.3	83%	0.828	84%	0.838	S	S	*	*			trans	-156.6	158.5	165.5	32.2	0	0	0	0	110.1
11	C	25.4	Very low	29.3	Very low	124 Å²	124	154.7 Å²	154.7	84%	0.838	84%	0.836	S	S	*	*			trans	63.2	88.3	168.7	-60.4	0	0	0	0	117.7
12	L	28.3	Very low	29.1	Very low	165 Å²	165	149.2 Å²	149.2	86%	0.864	81%	0.812	S	S	*	*			trans	-148.2	34.4	157.7	-132.1	168.7	0	0	0	113.5
13	W	29.6	Very low	29.2	Very low	254 Å²	254	152 Å²	152	96%	0.962	82%	0.82	S	S	*	*			trans	-133	80.6	173	-91.3	61.3	0	0	0	109
14	L	26.3	Very low	28.8	Very low	157 Å²	157	150.8 Å²	150.8	82%	0.822	81%	0.814	S	S	*	*			trans	-159.2	68.7	176.9	-115.6	176	0	0	0	112
15	T	31	Very low	28.9	Very low	152 Å²	152	146 Å²	146	93%	0.933	81%	0.805	S	S	*	*			trans	-133.9	41.3	172	46.7	0	0	0	0	112.3
16	A	30.5	Very low	29.4	Very low	71 Å²	71	143.8 Å²	143.8	59%	0.587	80%	0.801	S	S	*	*	S	Bend	trans	-102.4	116.4	159.2	0	0	0	0	0	108	F18	A16-F18 VanDerWaalsContact C-N 3.34Å; A16-F18 PolarHBondContact O-N 3.45Å
17	G	26.5	Very low	30.1	Very low	85 Å²	85	147.9 Å²	147.9	88%	0.876	81%	0.813	S	S	*	*			trans	-75.4	74	-169.4	0	0	0	0	0	114.1	C19	G17-C19 PolarHBondContact O-N 3.4Å
18	F	29.1	Very low	31.4	Very low	191 Å²	191	147 Å²	147	84%	0.838	81%	0.809	S	S	*	*			trans	-63.9	98.6	162	-80.7	-83.3	0	0	0	109.3	A16 R20	A16-F18 VanDerWaalsContact C-N 3.34Å; A16-F18 PolarHBondContact O-N 3.45Å; F18-R20 PolarHBondContact O-N 3.5Å; F18-R20 VanDerWaalsContact O-N 3.09Å
19	C	25.4	Very low	33.8	Very low	118 Å²	118	144.5 Å²	144.5	80%	0.797	80%	0.801	S	S	*	*			trans	-63.1	112.1	166.9	-162.1	0	0	0	0	107.8	G17	G17-C19 PolarHBondContact O-N 3.4Å
20	R	26.8	Very low	36.8	Very low	215 Å²	215	134.6 Å²	134.6	81%	0.811	77%	0.766	S	S	*	*			trans	-60.4	147.2	166.7	-77.8	178.8	166.4	177	-5.3	108.4	F18 D22	F18-R20 PolarHBondContact O-N 3.5Å; F18-R20 VanDerWaalsContact O-N 3.09Å; R20-D22 PolarHBondContact O-N 2.97Å
21	P	33.9	Very low	40	Very low	123 Å²	123	130.2 Å²	130.2	80%	0.799	74%	0.739	S	S	*	*			trans	-65	117	161.4	28.5	-31.6	0	0	0	107.8	S23	P21-S23 PolarHBondContact O-N 3.49Å; P21-S23 VanDerWaalsContact O-N 3.12Å
22	D	26.7	Very low	43.3	Very low	134 Å²	134	125.5 Å²	125.5	72%	0.717	71%	0.707	S	S	*	*			trans	-66	111.4	175.3	-90	-39	0	0	0	109.6	R20 S24	R20-D22 PolarHBondContact O-N 2.97Å; D22-S24 PolarHBondContact O-N 3.29Å
23	S	35.3	Very low	46.5	Very low	129 Å²	129	118.2 Å²	118.2	90%	0.902	67%	0.668	S	S	*	*	S	Bend	trans	-78.3	49.6	177.4	63.7	0	0	0	0	111.5	P21	P21-S23 PolarHBondContact O-N 3.49Å; P21-S23 VanDerWaalsContact O-N 3.12Å
24	S	34	Very low	49.6	Very low	90 Å²	90	108 Å²	108	63%	0.629	63%	0.632	S	S	*	*			trans	-155	42.4	-173.2	55.3	0	0	0	0	113.4	D22	D22-S24 PolarHBondContact O-N 3.29Å
25	L	34.1	Very low	52.9	Low	126 Å²	126	106.8 Å²	106.8	66%	0.66	62%	0.62	S	S	*	*			trans	-134.6	53.3	171.6	-131.1	155.6	0	0	0	112.4	N27 L28	L25-N27 PolarHBondContact O-N 3.45Å; L25-L28 HydrophobicContact CD2-CB 3.86Å; L25-L28 HydrophobicContact CD2-CD1 4.24Å; L25-L28 HydrophobicContact CD2-CD2 4.47Å; L25-L28 HydrophobicContact CD2-CG 4.42Å
26	S	38.7	Very low	56	Low	109 Å²	109	99.8 Å²	99.8	76%	0.762	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	131.2	169.2	-45.4	0	0	0	0	110.5
27	N	40.9	Very low	59.2	Low	160 Å²	160	97.3 Å²	97.3	86%	0.856	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.8	50.3	173.8	-53.9	-5.2	0	0	0	116.5	L25	L25-N27 PolarHBondContact O-N 3.45Å
28	L	55.6	Low	62.5	Low	144 Å²	144	97.4 Å²	97.4	75%	0.754	53%	0.534	S	S	*	.			trans	-110.4	108.7	145.6	-125.8	77.1	0	0	0	109.2	L25 L30	L25-L28 HydrophobicContact CD2-CB 3.86Å; L25-L28 HydrophobicContact CD2-CD1 4.24Å; L25-L28 HydrophobicContact CD2-CD2 4.47Å; L25-L28 HydrophobicContact CD2-CG 4.42Å; L28-L30 PolarHBondContact O-N 3.14Å
29	T	77.3	Confident	65.7	Low	105 Å²	105	89.3 Å²	89.3	64%	0.644	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-59.9	133.9	176.8	-48.5	0	0	0	0	110.1	V31 L129	T29-V31 PolarHBondContact O-N 3.43Å; T29-L129 HydrophobicContact CG2-CD2 3.7Å
30	L	90.5	Very high	68.9	Low	40 Å²	40	83.7 Å²	83.7	21%	0.209	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-63.2	124.2	174.9	-170.3	67.4	0	0	0	108.7	L28 N62 T65 V66 L124 H130	L28-L30 PolarHBondContact O-N 3.14Å; L30-N62 HydrophobicContact CD1-CB 4.26Å; L30-N62 HydrophobicContact CG-CB 4.49Å; L30-T65 HydrophobicContact CD1-CG2 4.35Å; L30-T65 HydrophobicContact CD2-CG2 3.89Å; L30-V66 HydrophobicContact CD2-CG2 3.67Å; L30-L124 HydrophobicContact CD2-CD2 4.05Å; L30-H130 PolarHBondContact O-CE1 2.84Å; L30-H130 PolarHBondContact O-NE2 2.89Å
31	V	93.1	Very high	72.1	Confident	43 Å²	43	74.6 Å²	74.6	26%	0.261	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-74.3	135.3	-178.9	-174.8	0	0	0	0	109.2	T29 F35 L36 N62	T29-V31 PolarHBondContact O-N 3.43Å; V31-F35 HydrophobicContact CG1-CD1 3.85Å; V31-F35 HydrophobicContact CG1-CE1 4.49Å; V31-L36 HydrophobicContact CB-CD1 4.04Å; V31-L36 HydrophobicContact CB-CG 4.33Å; V31-L36 HydrophobicContact CG1-CD1 4.1Å; V31-L36 HydrophobicContact CG1-CD2 4.08Å; V31-L36 HydrophobicContact CG1-CG 3.84Å; V31-N62 PolarHBondContact O-ND2 2.8Å
32	P	94.9	Very high	74.9	Confident	25 Å²	25	73.9 Å²	73.9	16%	0.162	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-54.2	143.9	173.8	-25.9	36.3	0	0	0	112.3	D34 F35 L36 L129	P32-D34 VanDerWaalsContact C-OD1 3.26Å; P32-D34 WeakPolarHBondContact CB-OD1 3.17Å; P32-F35 HydrophobicContact CB-CB 4.31Å; P32-L36 WeakPolarHBondContact O-CG 3.39Å; P32-L36 PolarHBondContact O-N 3.38Å; P32-L129 HydrophobicContact CG-CD1 3.77Å; P32-L129 HydrophobicContact CG-CG 4.2Å; P32-L129 VanDerWaalsContact CG-O 3.3Å; P32-L129 WeakPolarHBondContact CG-O 3.44Å
33	Y	95.9	Very high	77.8	Confident	11 Å²	11	67.5 Å²	67.5	4%	0.043	39%	0.385	C	S	.	.	H	α-helix	trans	-90.4	-24.3	-168	73.6	-96.1	0	0	0	113.6	F37 A59 K63 V132 V136 F140	Y33-F37 WeakPolarHBondContact O-CB 3.44Å; Y33-F37 PolarHBondContact O-N 3.2Å; Y33-A59 WeakPolarHBondContact CB-O 3.41Å; Y33-A59 WeakPolarHBondContact O-CB 3.3Å; Y33-K63 HydrophobicContact CD1-CB 4.12Å; Y33-K63 HydrophobicContact CD1-CG 4.45Å; Y33-K63 HydrophobicContact CD2-CB 3.95Å; Y33-K63 HydrophobicContact CD2-CD 4.34Å; Y33-K63 HydrophobicContact CD2-CG 4.29Å; Y33-K63 HydrophobicContact CE1-CB 4.33Å; Y33-K63 HydrophobicContact CE1-CG 4.14Å; Y33-K63 HydrophobicContact CE2-CB 4.14Å; Y33-K63 HydrophobicContact CE2-CD 3.77Å; Y33-K63 HydrophobicContact CE2-CG 3.95Å; Y33-K63 HydrophobicContact CG-CB 3.92Å; Y33-V132 HydrophobicContact CD1-CG1 4.32Å; Y33-V132 HydrophobicContact CE1-CG1 3.79Å; Y33-V132 HydrophobicContact CE1-CG2 4.43Å; Y33-V132 HydrophobicContact CE2-CG1 4.44Å; Y33-V132 WeakPolarHBondContact OH-CG2 3.26Å; Y33-V136 HydrophobicContact CD2-CG1 4.42Å; Y33-V136 HydrophobicContact CE2-CG1 3.89Å; Y33-F140 HydrophobicContact CD2-CD2 4.35Å; Y33-F140 HydrophobicContact CD2-CE1 4.04Å; Y33-F140 AromaticContact CD2-CE2 3.84Å; Y33-F140 HydrophobicContact CD2-CE2 3.84Å; Y33-F140 AromaticContact CD2-CZ 3.67Å; Y33-F140 HydrophobicContact CD2-CZ 3.67Å; Y33-F140 HydrophobicContact CE2-CD1 4.49Å; Y33-F140 HydrophobicContact CE2-CD2 4.07Å; Y33-F140 HydrophobicContact CE2-CE1 4.42Å; Y33-F140 HydrophobicContact CE2-CE2 4.01Å; Y33-F140 HydrophobicContact CE2-CG 4.31Å; Y33-F140 HydrophobicContact CE2-CZ 4.2Å
34	D	95	Very high	80.3	Confident	41 Å²	41	64.3 Å²	64.3	22%	0.219	35%	0.353	C	S	.	.	H	α-helix	trans	-55.6	-56.7	159.1	53.2	-22.1	0	0	0	111.4	P32 L36 F37 D38 V132 V136	P32-D34 VanDerWaalsContact C-OD1 3.26Å; P32-D34 WeakPolarHBondContact CB-OD1 3.17Å; D34-L36 PolarHBondContact O-N 3.45Å; D34-L36 VanDerWaalsContact O-N 3.15Å; D34-F37 WeakPolarHBondContact O-CA 3.46Å; D34-F37 VanDerWaalsContact O-CB 3.32Å; D34-F37 WeakPolarHBondContact O-CB 3.5Å; D34-F37 PolarHBondContact O-N 2.99Å; D34-D38 PolarHBondContact O-N 3.47Å; D34-V132 HydrophobicContact CB-CB 4.5Å; D34-V132 HydrophobicContact CB-CG1 3.86Å; D34-V136 HydrophobicContact CB-CG1 4.12Å; D34-V136 HydrophobicContact CB-CG2 4.25Å
35	F	95.5	Very high	83	Confident	130 Å²	130	66.3 Å²	66.3	57%	0.57	35%	0.348	S	S	*	.	H	α-helix	trans	-57.8	-35.2	178.6	177.3	-94.1	0	0	0	112.7	V31 P32 A39	V31-F35 HydrophobicContact CG1-CD1 3.85Å; V31-F35 HydrophobicContact CG1-CE1 4.49Å; P32-F35 HydrophobicContact CB-CB 4.31Å; F35-A39 VanDerWaalsContact O-CB 3.25Å; F35-A39 WeakPolarHBondContact O-CB 3.43Å; F35-A39 PolarHBondContact O-N 3.01Å; F35-A39 VanDerWaalsContact O-N 3.1Å
36	L	97.4	Very high	85.7	Confident	5 Å²	5	67.9 Å²	67.9	3%	0.026	35%	0.345	C	S	.	.	H	α-helix	trans	-74.9	-30.7	174.6	-70.9	168.7	0	0	0	113.2	V31 P32 D34 A40 N55 K58 A59 N62	V31-L36 HydrophobicContact CB-CD1 4.04Å; V31-L36 HydrophobicContact CB-CG 4.33Å; V31-L36 HydrophobicContact CG1-CD1 4.1Å; V31-L36 HydrophobicContact CG1-CD2 4.08Å; V31-L36 HydrophobicContact CG1-CG 3.84Å; P32-L36 WeakPolarHBondContact O-CG 3.39Å; P32-L36 PolarHBondContact O-N 3.38Å; D34-L36 PolarHBondContact O-N 3.45Å; D34-L36 VanDerWaalsContact O-N 3.15Å; L36-A40 WeakPolarHBondContact O-CB 3.21Å; L36-A40 PolarHBondContact O-N 3.44Å; L36-A40 VanDerWaalsContact O-N 3.15Å; L36-N55 WeakPolarHBondContact O-CB 3.48Å; L36-K58 HydrophobicContact CD1-CB 4.16Å; L36-K58 HydrophobicContact CD1-CD 3.93Å; L36-K58 HydrophobicContact CD1-CG 3.7Å; L36-K58 HydrophobicContact CD2-CD 3.9Å; L36-K58 HydrophobicContact CD2-CG 4.44Å; L36-A59 HydrophobicContact CB-CB 3.73Å; L36-N62 HydrophobicContact CD1-CB 4.45Å; L36-N62 WeakPolarHBondContact CD1-ND2 3.37Å
37	F	97.2	Very high	88.1	Confident	20 Å²	20	64.1 Å²	64.1	9%	0.088	32%	0.323	C	S	.	.	H	α-helix	trans	-67.1	-50.9	172.8	178.4	-100.3	0	0	0	110	Y33 D34 A39 A40 V41 M56 E139 F140 P145 Y148	Y33-F37 WeakPolarHBondContact O-CB 3.44Å; Y33-F37 PolarHBondContact O-N 3.2Å; D34-F37 WeakPolarHBondContact O-CA 3.46Å; D34-F37 VanDerWaalsContact O-CB 3.32Å; D34-F37 WeakPolarHBondContact O-CB 3.5Å; D34-F37 PolarHBondContact O-N 2.99Å; F37-A39 PolarHBondContact O-N 3.36Å; F37-A40 CarbonylContact O-C 3.51Å; F37-A40 WeakPolarHBondContact O-CA 3.44Å; F37-A40 WeakPolarHBondContact O-CB 3.35Å; F37-A40 PolarHBondContact O-N 2.95Å; F37-V41 HydrophobicContact CD1-CG2 4.24Å; F37-V41 HydrophobicContact CE1-CG2 3.98Å; F37-V41 HydrophobicContact CE2-CG2 4.38Å; F37-V41 HydrophobicContact CZ-CG2 4.06Å; F37-V41 WeakPolarHBondContact O-CG2 3.13Å; F37-V41 PolarHBondContact O-N 2.93Å; F37-M56 HydrophobicContact CD2-CE 3.8Å; F37-M56 HydrophobicContact CD2-SD 3.52Å; F37-M56 VanDerWaalsContact CD2-SD 3.52Å; F37-M56 HydrophobicContact CE2-CE 3.94Å; F37-M56 HydrophobicContact CE2-SD 4.06Å; F37-M56 HydrophobicContact CG-SD 4.49Å; F37-E139 HydrophobicContact CZ-CB 4.24Å; F37-F140 HydrophobicContact CB-CE2 3.95Å; F37-F140 HydrophobicContact CB-CZ 4.13Å; F37-F140 AromaticContact CD2-CE2 3.68Å; F37-F140 HydrophobicContact CD2-CE2 3.68Å; F37-F140 HydrophobicContact CD2-CZ 4Å; F37-F140 HydrophobicContact CE2-CE2 4.36Å; F37-F140 AromaticContact CG-CE2 3.88Å; F37-F140 HydrophobicContact CG-CE2 3.88Å; F37-F140 HydrophobicContact CG-CZ 4.36Å; F37-P145 HydrophobicContact CD2-CG 4Å; F37-P145 HydrophobicContact CE2-CG 3.86Å; F37-Y148 HydrophobicContact CE2-CE2 4.45Å; F37-Y148 HydrophobicContact CZ-CE2 4.29Å
38	D	95.8	Very high	90.7	Very high	87 Å²	87	60.1 Å²	60.1	47%	0.465	30%	0.302	S	S	.	.	H	α-helix	trans	-57.9	-48.3	177.9	-62.6	-19.6	0	0	0	111.4	D34 A40 V41 E42	D34-D38 PolarHBondContact O-N 3.47Å; D38-A40 PolarHBondContact O-N 3.41Å; D38-V41 PolarHBondContact O-N 2.89Å; D38-V41 VanDerWaalsContact O-N 3.11Å; D38-E42 PolarHBondContact O-N 2.84Å
39	A	94.9	Very high	92.6	Very high	21 Å²	21	56.5 Å²	56.5	17%	0.174	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-20.7	176.7	0	0	0	0	0	113.7	F35 F37 A43 N55	F35-A39 VanDerWaalsContact O-CB 3.25Å; F35-A39 WeakPolarHBondContact O-CB 3.43Å; F35-A39 PolarHBondContact O-N 3.01Å; F35-A39 VanDerWaalsContact O-N 3.1Å; F37-A39 PolarHBondContact O-N 3.36Å; A39-A43 WeakPolarHBondContact O-CB 3.37Å; A39-N55 PolarHBondContact O-ND2 2.9Å
40	A	94.4	Very high	93.5	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-83.1	-39.8	170.7	0	0	0	0	0	112	L36 F37 D38 A43 Y44 N55 M56	L36-A40 WeakPolarHBondContact O-CB 3.21Å; L36-A40 PolarHBondContact O-N 3.44Å; L36-A40 VanDerWaalsContact O-N 3.15Å; F37-A40 CarbonylContact O-C 3.51Å; F37-A40 WeakPolarHBondContact O-CA 3.44Å; F37-A40 WeakPolarHBondContact O-CB 3.35Å; F37-A40 PolarHBondContact O-N 2.95Å; D38-A40 PolarHBondContact O-N 3.41Å; A40-A43 WeakPolarHBondContact O-CB 3.43Å; A40-A43 PolarHBondContact O-N 3.11Å; A40-Y44 PolarHBondContact O-N 3.04Å; A40-N55 HydrophobicContact CB-CB 3.71Å; A40-M56 HydrophobicContact CB-CB 3.91Å; A40-M56 HydrophobicContact CB-CE 3.54Å; A40-M56 HydrophobicContact CB-SD 4.04Å
41	V	93.3	Very high	93.8	Very high	24 Å²	24	56.1 Å²	56.1	15%	0.145	28%	0.275	C	S	.	.	H	α-helix	trans	-64.1	-44	176	173.2	0	0	0	0	110.7	F37 D38 A43 Y44 Y45 M56 Y148	F37-V41 HydrophobicContact CD1-CG2 4.24Å; F37-V41 HydrophobicContact CE1-CG2 3.98Å; F37-V41 HydrophobicContact CE2-CG2 4.38Å; F37-V41 HydrophobicContact CZ-CG2 4.06Å; F37-V41 WeakPolarHBondContact O-CG2 3.13Å; F37-V41 PolarHBondContact O-N 2.93Å; D38-V41 PolarHBondContact O-N 2.89Å; D38-V41 VanDerWaalsContact O-N 3.11Å; V41-A43 VanDerWaalsContact C-N 3.32Å; V41-A43 PolarHBondContact O-N 3.43Å; V41-Y44 WeakPolarHBondContact O-CB 3.44Å; V41-Y44 PolarHBondContact O-N 2.74Å; V41-Y45 HydrophobicContact CG1-CD2 4.08Å; V41-Y45 HydrophobicContact CG1-CE2 3.61Å; V41-Y45 WeakPolarHBondContact O-CD2 3.37Å; V41-Y45 PolarHBondContact O-N 3.24Å; V41-M56 HydrophobicContact CG2-CE 4.27Å; V41-Y148 HydrophobicContact CG2-CD2 4.34Å; V41-Y148 HydrophobicContact CG2-CE1 4.44Å; V41-Y148 HydrophobicContact CG2-CE2 3.78Å
42	E	92.3	Very high	94	Very high	107 Å²	107	54.1 Å²	54.1	50%	0.5	26%	0.263	S	S	.	.	H	α-helix	trans	-59.3	-42.6	171.8	-70.4	-167.9	167.8	0	0	112.6	D38 Y44 Y45 R46	D38-E42 PolarHBondContact O-N 2.84Å; E42-Y44 PolarHBondContact O-N 3.15Å; E42-Y45 PolarHBondContact O-N 3.02Å; E42-R46 VanDerWaalsContact CB-NH2 3.26Å; E42-R46 WeakPolarHBondContact O-CG 3.47Å; E42-R46 PolarHBondContact O-N 2.98Å; E42-R46 VanDerWaalsContact O-N 3.08Å; E42-R46 IonicContact OE2-CZ 2.75Å; E42-R46 VanDerWaalsContact OE2-CZ 3.27Å; E42-R46 IonicContact OE2-NH1 3.29Å; E42-R46 PolarHBondContact OE2-NH1 3.3Å; E42-R46 IonicContact OE2-NH2 3.29Å; E42-R46 PolarHBondContact OE2-NH2 3.2Å
43	A	87.9	Confident	94.2	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.008	26%	0.26	C	S	.	.	H	α-helix	trans	-63.5	-32.6	179.3	0	0	0	0	0	111.8	A39 A40 V41 R46 G47 D48 A51 V52	A39-A43 WeakPolarHBondContact O-CB 3.37Å; A40-A43 WeakPolarHBondContact O-CB 3.43Å; A40-A43 PolarHBondContact O-N 3.11Å; V41-A43 VanDerWaalsContact C-N 3.32Å; V41-A43 PolarHBondContact O-N 3.43Å; A43-R46 CarbonylContact O-C 3.6Å; A43-R46 PolarHBondContact O-N 2.8Å; A43-G47 PolarHBondContact O-N 2.81Å; A43-G47 VanDerWaalsContact O-N 3.09Å; A43-D48 HydrophobicContact CB-CB 4.48Å; A43-D48 PolarHBondContact O-N 2.95Å; A43-A51 HydrophobicContact CB-CB 3.74Å; A43-V52 HydrophobicContact CB-CG2 3.86Å
44	Y	88.6	Confident	94.3	Very high	62 Å²	62	58.4 Å²	58.4	24%	0.243	29%	0.285	C	S	.	.	H	α-helix	trans	-64.2	-48.1	176.1	-178.9	-95.9	0	0	0	111.5	A40 V41 E42 R46 G47 W49 V52 Y148 V151	A40-Y44 PolarHBondContact O-N 3.04Å; V41-Y44 WeakPolarHBondContact O-CB 3.44Å; V41-Y44 PolarHBondContact O-N 2.74Å; E42-Y44 PolarHBondContact O-N 3.15Å; Y44-R46 VanDerWaalsContact C-N 3.26Å; Y44-R46 PolarHBondContact O-N 3.05Å; Y44-G47 PolarHBondContact O-N 3.36Å; Y44-W49 HydrophobicContact CD2-CE3 4.42Å; Y44-W49 AromaticContact CD2-CZ3 3.76Å; Y44-W49 HydrophobicContact CD2-CZ3 3.76Å; Y44-W49 AromaticContact CE2-CZ3 3.78Å; Y44-W49 HydrophobicContact CE2-CZ3 3.78Å; Y44-V52 VanDerWaalsContact CA-CG2 3.42Å; Y44-V52 HydrophobicContact CD2-CG2 4.41Å; Y44-Y148 AromaticContact CD1-CD1 3.83Å; Y44-Y148 HydrophobicContact CD1-CD1 3.83Å; Y44-Y148 AromaticContact CD1-CE1 3.76Å; Y44-Y148 HydrophobicContact CD1-CE1 3.76Å; Y44-Y148 AromaticContact CD2-CD1 3.74Å; Y44-Y148 HydrophobicContact CD2-CD1 3.74Å; Y44-Y148 HydrophobicContact CD2-CE1 4.5Å; Y44-Y148 HydrophobicContact CE1-CD1 4.13Å; Y44-Y148 HydrophobicContact CE1-CE1 4.07Å; Y44-Y148 HydrophobicContact CE2-CD1 4.05Å; Y44-Y148 AromaticContact CG-CD1 3.62Å; Y44-Y148 HydrophobicContact CG-CD1 3.62Å; Y44-Y148 AromaticContact CG-CE1 3.99Å; Y44-Y148 HydrophobicContact CG-CE1 3.99Å; Y44-V151 HydrophobicContact CE2-CB 3.91Å; Y44-V151 HydrophobicContact CE2-CG1 3.84Å; Y44-V151 HydrophobicContact CE2-CG2 4.39Å
45	Y	88.9	Confident	94.4	Very high	131 Å²	131	58 Å²	58	51%	0.514	28%	0.283	S	S	.	.	H	α-helix	trans	-67.5	-24.5	175.9	-67.1	-66.5	0	0	0	113.4	V41 E42 G47 H505	V41-Y45 HydrophobicContact CG1-CD2 4.08Å; V41-Y45 HydrophobicContact CG1-CE2 3.61Å; V41-Y45 WeakPolarHBondContact O-CD2 3.37Å; V41-Y45 PolarHBondContact O-N 3.24Å; E42-Y45 PolarHBondContact O-N 3.02Å; Y45-G47 VanDerWaalsContact C-N 3.32Å; Y45-H505 AromaticContact CD2-NE2 3.79Å; Y45-H505 AromaticContact CE1-NE2 3.89Å; Y45-H505 AromaticContact CE2-CE1 3.73Å; Y45-H505 AromaticContact CE2-NE2 3.37Å; Y45-H505 WeakPolarHBondContact CE2-NE2 3.27Å; Y45-H505 AromaticContact CZ-CE1 3.87Å; Y45-H505 AromaticContact CZ-NE2 3.42Å
46	R	91.5	Very high	94.5	Very high	159 Å²	159	51.9 Å²	51.9	60%	0.6	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-9.2	169.2	-69.6	-174.6	-71.2	-106.9	-0.4	114.2	E42 A43 Y44 D48	E42-R46 VanDerWaalsContact CB-NH2 3.26Å; E42-R46 WeakPolarHBondContact O-CG 3.47Å; E42-R46 PolarHBondContact O-N 2.98Å; E42-R46 VanDerWaalsContact O-N 3.08Å; E42-R46 IonicContact OE2-CZ 2.75Å; E42-R46 VanDerWaalsContact OE2-CZ 3.27Å; E42-R46 IonicContact OE2-NH1 3.29Å; E42-R46 PolarHBondContact OE2-NH1 3.3Å; E42-R46 IonicContact OE2-NH2 3.29Å; E42-R46 PolarHBondContact OE2-NH2 3.2Å; A43-R46 CarbonylContact O-C 3.6Å; A43-R46 PolarHBondContact O-N 2.8Å; Y44-R46 VanDerWaalsContact C-N 3.26Å; Y44-R46 PolarHBondContact O-N 3.05Å; R46-D48 VanDerWaalsContact C-N 3.28Å; R46-D48 PolarHBondContact O-N 2.88Å
47	G	88.8	Confident	94.5	Very high	30 Å²	30	53.8 Å²	53.8	31%	0.309	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	15.5	-175	0	0	0	0	0	114.9	A43 Y44 Y45 W49	A43-G47 PolarHBondContact O-N 2.81Å; A43-G47 VanDerWaalsContact O-N 3.09Å; Y44-G47 PolarHBondContact O-N 3.36Å; Y45-G47 VanDerWaalsContact C-N 3.32Å; G47-W49 PolarHBondContact O-N 3.35Å; G47-W49 VanDerWaalsContact O-N 3.1Å; G47-W49 PolarHBondContact O-NE1 3.15Å
48	D	95.3	Very high	94.6	Very high	77 Å²	77	56.4 Å²	56.4	41%	0.412	28%	0.276	S	S	.	.			trans	-84.8	78.8	175.7	-174.1	-11.8	0	0	0	110.3	A43 R46 L50 A51 V52	A43-D48 HydrophobicContact CB-CB 4.48Å; A43-D48 PolarHBondContact O-N 2.95Å; R46-D48 VanDerWaalsContact C-N 3.28Å; R46-D48 PolarHBondContact O-N 2.88Å; D48-L50 PolarHBondContact O-N 3Å; D48-L50 VanDerWaalsContact O-N 3.12Å; D48-L50 PolarHBondContact OD1-N 3.4Å; D48-A51 HydrophobicContact CB-CB 4.08Å; D48-A51 PolarHBondContact O-N 3.34Å; D48-A51 VanDerWaalsContact O-N 3.15Å; D48-A51 PolarHBondContact OD1-N 2.94Å; D48-A51 VanDerWaalsContact OD2-CB 3.3Å; D48-A51 WeakPolarHBondContact OD2-CB 3.2Å; D48-V52 WeakPolarHBondContact O-CG2 3.34Å; D48-V52 PolarHBondContact O-N 3.46Å
49	W	95.6	Very high	94.7	Very high	68 Å²	68	52.3 Å²	52.3	26%	0.258	25%	0.254	S	S	.	.	H	α-helix	trans	-57.6	-26.4	-178.2	-43.8	113.7	0	0	0	113.4	Y44 G47 I53 V151 A152 K155 I156	Y44-W49 HydrophobicContact CD2-CE3 4.42Å; Y44-W49 AromaticContact CD2-CZ3 3.76Å; Y44-W49 HydrophobicContact CD2-CZ3 3.76Å; Y44-W49 AromaticContact CE2-CZ3 3.78Å; Y44-W49 HydrophobicContact CE2-CZ3 3.78Å; G47-W49 PolarHBondContact O-N 3.35Å; G47-W49 VanDerWaalsContact O-N 3.1Å; G47-W49 PolarHBondContact O-NE1 3.15Å; W49-I53 VanDerWaalsContact O-CD1 3.32Å; W49-I53 WeakPolarHBondContact O-CD1 3.27Å; W49-I53 VanDerWaalsContact O-CG1 3.25Å; W49-I53 WeakPolarHBondContact O-CG1 3.47Å; W49-I53 PolarHBondContact O-N 3Å; W49-I53 VanDerWaalsContact O-N 3.13Å; W49-V151 HydrophobicContact CZ3-CG1 4.16Å; W49-A152 HydrophobicContact CB-CB 4.25Å; W49-A152 HydrophobicContact CE3-CB 4.18Å; W49-K155 HydrophobicContact CB-CB 4.43Å; W49-K155 HydrophobicContact CD2-CB 3.66Å; W49-K155 HydrophobicContact CD2-CG 3.76Å; W49-K155 HydrophobicContact CE3-CB 4.31Å; W49-K155 HydrophobicContact CE3-CG 4.07Å; W49-K155 HydrophobicContact CG-CB 3.66Å; W49-K155 HydrophobicContact CG-CG 4.32Å; W49-K155 HydrophobicContact CH2-CD 4.48Å; W49-K155 HydrophobicContact CH2-CG 4.2Å; W49-K155 HydrophobicContact CZ2-CB 4.5Å; W49-K155 HydrophobicContact CZ2-CD 3.96Å; W49-K155 HydrophobicContact CZ2-CG 3.89Å; W49-K155 HydrophobicContact CZ3-CG 4.27Å; W49-I156 HydrophobicContact CB-CG2 3.83Å
50	L	97.3	Very high	94.8	Very high	115 Å²	115	52.5 Å²	52.5	60%	0.602	25%	0.252	S	S	*	.	H	α-helix	trans	-77.2	-42.3	178.2	-67.7	178	0	0	0	111.3	D48 I53 L54 I156	D48-L50 PolarHBondContact O-N 3Å; D48-L50 VanDerWaalsContact O-N 3.12Å; D48-L50 PolarHBondContact OD1-N 3.4Å; L50-I53 PolarHBondContact O-N 3.05Å; L50-L54 VanDerWaalsContact O-CB 3.31Å; L50-L54 WeakPolarHBondContact O-CB 3.07Å; L50-L54 PolarHBondContact O-N 3.47Å; L50-I156 HydrophobicContact CD2-CD1 4.23Å; L50-I156 HydrophobicContact CD2-CG2 4.4Å
51	A	96.8	Very high	94.9	Very high	22 Å²	22	58.4 Å²	58.4	18%	0.182	27%	0.274	C	S	.	.	H	α-helix	trans	-66.1	-37.3	172.5	0	0	0	0	0	112.2	A43 D48 L54 N55	A43-A51 HydrophobicContact CB-CB 3.74Å; D48-A51 HydrophobicContact CB-CB 4.08Å; D48-A51 PolarHBondContact O-N 3.34Å; D48-A51 VanDerWaalsContact O-N 3.15Å; D48-A51 PolarHBondContact OD1-N 2.94Å; D48-A51 VanDerWaalsContact OD2-CB 3.3Å; D48-A51 WeakPolarHBondContact OD2-CB 3.2Å; A51-L54 PolarHBondContact O-N 2.81Å; A51-N55 VanDerWaalsContact O-CB 3.32Å; A51-N55 WeakPolarHBondContact O-CB 3.09Å; A51-N55 PolarHBondContact O-N 3.46Å
52	V	97.2	Very high	95.1	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-54.8	-55.4	170.7	177	0	0	0	0	110.3	A43 Y44 D48 L54 M56 A152	A43-V52 HydrophobicContact CB-CG2 3.86Å; Y44-V52 VanDerWaalsContact CA-CG2 3.42Å; Y44-V52 HydrophobicContact CD2-CG2 4.41Å; D48-V52 WeakPolarHBondContact O-CG2 3.34Å; D48-V52 PolarHBondContact O-N 3.46Å; V52-L54 PolarHBondContact O-N 3.28Å; V52-M56 WeakPolarHBondContact O-CB 3.47Å; V52-M56 PolarHBondContact O-N 2.68Å; V52-A152 HydrophobicContact CB-CB 4.01Å; V52-A152 HydrophobicContact CG1-CB 3.72Å
53	I	98.1	Very high	95.2	Very high	19 Å²	19	56 Å²	56	10%	0.097	26%	0.26	C	S	.	.	H	α-helix	trans	-61.3	-45.7	-177.7	-71.7	162.8	0	0	0	111.2	W49 L50 E57 L149 A152 Y153 I156	W49-I53 VanDerWaalsContact O-CD1 3.32Å; W49-I53 WeakPolarHBondContact O-CD1 3.27Å; W49-I53 VanDerWaalsContact O-CG1 3.25Å; W49-I53 WeakPolarHBondContact O-CG1 3.47Å; W49-I53 PolarHBondContact O-N 3Å; W49-I53 VanDerWaalsContact O-N 3.13Å; L50-I53 PolarHBondContact O-N 3.05Å; I53-E57 HydrophobicContact CG2-CG 4.39Å; I53-E57 VanDerWaalsContact O-CB 3.32Å; I53-E57 WeakPolarHBondContact O-CB 3.45Å; I53-E57 WeakPolarHBondContact O-CG 3.27Å; I53-E57 PolarHBondContact O-N 2.91Å; I53-L149 HydrophobicContact CB-CD2 4.44Å; I53-L149 HydrophobicContact CG1-CD2 4.14Å; I53-A152 HydrophobicContact CD1-CB 4.09Å; I53-A152 HydrophobicContact CG1-CB 3.8Å; I53-Y153 HydrophobicContact CB-CE1 4.35Å; I53-Y153 HydrophobicContact CD1-CD1 3.48Å; I53-Y153 VanDerWaalsContact CD1-CD1 3.48Å; I53-Y153 HydrophobicContact CD1-CE1 3.56Å; I53-Y153 HydrophobicContact CD1-CG 4.27Å; I53-Y153 HydrophobicContact CG1-CD1 3.98Å; I53-Y153 HydrophobicContact CG1-CE1 3.72Å; I53-Y153 HydrophobicContact CG2-CE1 3.67Å; I53-I156 HydrophobicContact CD1-CD1 3.43Å; I53-I156 VanDerWaalsContact CD1-CD1 3.43Å; I53-I156 HydrophobicContact CD1-CG1 3.92Å
54	L	97.8	Very high	95.6	Very high	108 Å²	108	58.8 Å²	58.8	57%	0.565	28%	0.284	S	S	*	.	H	α-helix	trans	-61.4	-50.2	-178.3	179.5	63.1	0	0	0	111.9	L50 A51 V52 K58	L50-L54 VanDerWaalsContact O-CB 3.31Å; L50-L54 WeakPolarHBondContact O-CB 3.07Å; L50-L54 PolarHBondContact O-N 3.47Å; A51-L54 PolarHBondContact O-N 2.81Å; V52-L54 PolarHBondContact O-N 3.28Å; L54-K58 WeakPolarHBondContact O-CB 3.47Å; L54-K58 PolarHBondContact O-N 3.5Å
55	N	98.1	Very high	95.9	Very high	33 Å²	33	58.7 Å²	58.7	18%	0.176	29%	0.29	C	S	.	.	H	α-helix	trans	-73.3	-43.2	-177	-72.2	-21.8	0	0	0	111.2	L36 A39 A40 A51 K58 A59	L36-N55 WeakPolarHBondContact O-CB 3.48Å; A39-N55 PolarHBondContact O-ND2 2.9Å; A40-N55 HydrophobicContact CB-CB 3.71Å; A51-N55 VanDerWaalsContact O-CB 3.32Å; A51-N55 WeakPolarHBondContact O-CB 3.09Å; A51-N55 PolarHBondContact O-N 3.46Å; N55-K58 CarbonylContact O-C 3.58Å; N55-K58 PolarHBondContact O-N 2.85Å; N55-K58 VanDerWaalsContact O-N 3.17Å; N55-A59 WeakPolarHBondContact O-CB 3.36Å; N55-A59 PolarHBondContact O-N 3.29Å
56	M	97.9	Very high	96.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-71.4	-41.3	-176.5	-158.9	66	86	0	0	112.9	F37 A40 V41 V52 K58 A59 L60 P145 Y148 L149	F37-M56 HydrophobicContact CD2-CE 3.8Å; F37-M56 HydrophobicContact CD2-SD 3.52Å; F37-M56 VanDerWaalsContact CD2-SD 3.52Å; F37-M56 HydrophobicContact CE2-CE 3.94Å; F37-M56 HydrophobicContact CE2-SD 4.06Å; F37-M56 HydrophobicContact CG-SD 4.49Å; A40-M56 HydrophobicContact CB-CB 3.91Å; A40-M56 HydrophobicContact CB-CE 3.54Å; A40-M56 HydrophobicContact CB-SD 4.04Å; V41-M56 HydrophobicContact CG2-CE 4.27Å; V52-M56 WeakPolarHBondContact O-CB 3.47Å; V52-M56 PolarHBondContact O-N 2.68Å; M56-K58 VanDerWaalsContact C-N 3.25Å; M56-K58 PolarHBondContact O-N 3.08Å; M56-A59 PolarHBondContact O-N 2.97Å; M56-L60 WeakPolarHBondContact O-CG 3.34Å; M56-L60 PolarHBondContact O-N 3.07Å; M56-L60 VanDerWaalsContact O-N 3.17Å; M56-P145 HydrophobicContact CG-CB 3.8Å; M56-P145 HydrophobicContact SD-CB 3.65Å; M56-P145 HydrophobicContact SD-CG 4.13Å; M56-Y148 HydrophobicContact CE-CD2 3.69Å; M56-Y148 HydrophobicContact CE-CG 3.95Å; M56-L149 HydrophobicContact CB-CD1 4.44Å; M56-L149 HydrophobicContact CB-CD2 3.93Å; M56-L149 HydrophobicContact CB-CG 4.03Å; M56-L149 HydrophobicContact CG-CD1 4.08Å; M56-L149 HydrophobicContact CG-CD2 4.31Å; M56-L149 HydrophobicContact CG-CG 3.83Å
57	E	98	Very high	96.4	Very high	45 Å²	45	50 Å²	50	21%	0.21	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-35.7	169.8	-76.1	-163.8	157.4	0	0	111.4	I53 R61 Y153 K161	I53-E57 HydrophobicContact CG2-CG 4.39Å; I53-E57 VanDerWaalsContact O-CB 3.32Å; I53-E57 WeakPolarHBondContact O-CB 3.45Å; I53-E57 WeakPolarHBondContact O-CG 3.27Å; I53-E57 PolarHBondContact O-N 2.91Å; E57-R61 WeakPolarHBondContact O-CB 3.29Å; E57-R61 WeakPolarHBondContact O-CG 3.27Å; E57-R61 PolarHBondContact O-N 3.4Å; E57-R61 PolarHBondContact O-NE 2.76Å; E57-R61 IonicContact OE2-CZ 2.77Å; E57-R61 VanDerWaalsContact OE2-CZ 3.29Å; E57-R61 IonicContact OE2-NH1 2.72Å; E57-R61 PolarHBondContact OE2-NH1 3.28Å; E57-R61 IonicContact OE2-NH2 3.27Å; E57-R61 PolarHBondContact OE2-NH2 3.02Å; E57-Y153 WeakPolarHBondContact CG-OH 3.35Å; E57-Y153 PolarHBondContact OE1-OH 3.5Å; E57-K161 IonicContact OE1-NZ 2.73Å; E57-K161 PolarHBondContact OE1-NZ 3.38Å
58	K	97.7	Very high	96.7	Very high	76 Å²	76	52.1 Å²	52.1	33%	0.33	26%	0.261	S	S	.	.	H	α-helix	trans	-72	-35.8	179.3	-169.8	-177.5	169.6	-173.1	0	111.6	L36 L54 N55 M56 R61 N62	L36-K58 HydrophobicContact CD1-CB 4.16Å; L36-K58 HydrophobicContact CD1-CD 3.93Å; L36-K58 HydrophobicContact CD1-CG 3.7Å; L36-K58 HydrophobicContact CD2-CD 3.9Å; L36-K58 HydrophobicContact CD2-CG 4.44Å; L54-K58 WeakPolarHBondContact O-CB 3.47Å; L54-K58 PolarHBondContact O-N 3.5Å; N55-K58 CarbonylContact O-C 3.58Å; N55-K58 PolarHBondContact O-N 2.85Å; N55-K58 VanDerWaalsContact O-N 3.17Å; M56-K58 VanDerWaalsContact C-N 3.25Å; M56-K58 PolarHBondContact O-N 3.08Å; K58-R61 PolarHBondContact O-N 2.83Å; K58-N62 VanDerWaalsContact O-CB 3.25Å; K58-N62 WeakPolarHBondContact O-CB 3.47Å; K58-N62 PolarHBondContact O-N 3.04Å; K58-N62 PolarHBondContact O-OD1 3.02Å; K58-N62 VanDerWaalsContact O-OD1 3.14Å
59	A	97.8	Very high	96.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.5	-50.8	173.6	0	0	0	0	0	111.1	Y33 L36 N55 M56 R61 N62 K63 F140	Y33-A59 WeakPolarHBondContact CB-O 3.41Å; Y33-A59 WeakPolarHBondContact O-CB 3.3Å; L36-A59 HydrophobicContact CB-CB 3.73Å; N55-A59 WeakPolarHBondContact O-CB 3.36Å; N55-A59 PolarHBondContact O-N 3.29Å; M56-A59 PolarHBondContact O-N 2.97Å; A59-R61 PolarHBondContact O-N 2.89Å; A59-N62 PolarHBondContact O-N 3Å; A59-K63 PolarHBondContact O-N 3.07Å; A59-F140 HydrophobicContact CB-CE1 4.39Å; A59-F140 HydrophobicContact CB-CZ 3.95Å
60	L	97.9	Very high	96.7	Very high	25 Å²	25	48.4 Å²	48.4	13%	0.131	25%	0.245	C	C	.	.	H	α-helix	trans	-57.6	-48.8	175.6	-71	164.7	0	0	0	112.1	M56 N62 K63 A64 F140 P145 Y146 L149	M56-L60 WeakPolarHBondContact O-CG 3.34Å; M56-L60 PolarHBondContact O-N 3.07Å; M56-L60 VanDerWaalsContact O-N 3.17Å; L60-N62 PolarHBondContact O-N 3.07Å; L60-K63 PolarHBondContact O-N 3.14Å; L60-A64 PolarHBondContact O-N 2.9Å; L60-A64 VanDerWaalsContact O-N 3.11Å; L60-F140 HydrophobicContact CD2-CD1 3.96Å; L60-F140 HydrophobicContact CD2-CE1 3.87Å; L60-F140 HydrophobicContact CG-CE1 4.31Å; L60-P145 HydrophobicContact CD1-CB 4.12Å; L60-P145 HydrophobicContact CD2-CB 4Å; L60-P145 HydrophobicContact CD2-CG 4.25Å; L60-P145 HydrophobicContact CG-CB 4.13Å; L60-Y146 HydrophobicContact CD1-CE1 4.03Å; L60-Y146 HydrophobicContact CD1-CE2 3.88Å; L60-Y146 HydrophobicContact CD2-CE2 3.62Å; L60-Y146 HydrophobicContact CG-CE2 4.43Å; L60-L149 HydrophobicContact CD1-CD1 3.77Å
61	R	96.9	Very high	96.6	Very high	124 Å²	124	43.1 Å²	43.1	47%	0.468	22%	0.217	S	C	.	.	H	α-helix	trans	-59.2	-44.3	175.4	-76.7	-176.4	-71.6	-112.8	-1.2	112.2	E57 K58 A59 A64 T65	E57-R61 WeakPolarHBondContact O-CB 3.29Å; E57-R61 WeakPolarHBondContact O-CG 3.27Å; E57-R61 PolarHBondContact O-N 3.4Å; E57-R61 PolarHBondContact O-NE 2.76Å; E57-R61 IonicContact OE2-CZ 2.77Å; E57-R61 VanDerWaalsContact OE2-CZ 3.29Å; E57-R61 IonicContact OE2-NH1 2.72Å; E57-R61 PolarHBondContact OE2-NH1 3.28Å; E57-R61 IonicContact OE2-NH2 3.27Å; E57-R61 PolarHBondContact OE2-NH2 3.02Å; K58-R61 PolarHBondContact O-N 2.83Å; A59-R61 PolarHBondContact O-N 2.89Å; R61-A64 PolarHBondContact O-N 3.45Å; R61-T65 PolarHBondContact O-N 2.87Å; R61-T65 PolarHBondContact O-OG1 3.48Å; R61-T65 VanDerWaalsContact O-OG1 3.07Å
62	N	96.1	Very high	96.6	Very high	15 Å²	15	46.5 Å²	46.5	8%	0.08	23%	0.229	C	C	.	.	H	α-helix	trans	-68.6	-40	-178.5	-73.9	18.9	0	0	0	112	L30 V31 L36 K58 A59 L60 A64 T65 V66	L30-N62 HydrophobicContact CD1-CB 4.26Å; L30-N62 HydrophobicContact CG-CB 4.49Å; V31-N62 PolarHBondContact O-ND2 2.8Å; L36-N62 HydrophobicContact CD1-CB 4.45Å; L36-N62 WeakPolarHBondContact CD1-ND2 3.37Å; K58-N62 VanDerWaalsContact O-CB 3.25Å; K58-N62 WeakPolarHBondContact O-CB 3.47Å; K58-N62 PolarHBondContact O-N 3.04Å; K58-N62 PolarHBondContact O-OD1 3.02Å; K58-N62 VanDerWaalsContact O-OD1 3.14Å; A59-N62 PolarHBondContact O-N 3Å; L60-N62 PolarHBondContact O-N 3.07Å; N62-A64 VanDerWaalsContact C-N 3.34Å; N62-A64 PolarHBondContact O-N 2.9Å; N62-T65 PolarHBondContact O-N 3.4Å; N62-V66 WeakPolarHBondContact O-CG2 3.33Å; N62-V66 PolarHBondContact O-N 2.91Å
63	K	95.8	Very high	96.4	Very high	65 Å²	65	46.5 Å²	46.5	28%	0.283	23%	0.229	S	C	.	.	H	α-helix	trans	-57	-47.4	171.8	-175.2	179.2	-179.1	179.8	0	110.9	Y33 A59 L60 T65 V66 R67 F140	Y33-K63 HydrophobicContact CD1-CB 4.12Å; Y33-K63 HydrophobicContact CD1-CG 4.45Å; Y33-K63 HydrophobicContact CD2-CB 3.95Å; Y33-K63 HydrophobicContact CD2-CD 4.34Å; Y33-K63 HydrophobicContact CD2-CG 4.29Å; Y33-K63 HydrophobicContact CE1-CB 4.33Å; Y33-K63 HydrophobicContact CE1-CG 4.14Å; Y33-K63 HydrophobicContact CE2-CB 4.14Å; Y33-K63 HydrophobicContact CE2-CD 3.77Å; Y33-K63 HydrophobicContact CE2-CG 3.95Å; Y33-K63 HydrophobicContact CG-CB 3.92Å; A59-K63 PolarHBondContact O-N 3.07Å; L60-K63 PolarHBondContact O-N 3.14Å; K63-T65 PolarHBondContact O-N 2.98Å; K63-V66 PolarHBondContact O-N 2.68Å; K63-R67 PolarHBondContact O-N 2.95Å; K63-F140 HydrophobicContact CD-CB 4.08Å; K63-F140 HydrophobicContact CD-CD1 3.59Å; K63-F140 HydrophobicContact CD-CE1 4.27Å; K63-F140 HydrophobicContact CD-CG 3.98Å
64	A	95.4	Very high	96.3	Very high	60 Å²	60	46.6 Å²	46.6	50%	0.496	23%	0.229	S	C	.	.	H	α-helix	trans	-62.7	-40.3	176.8	0	0	0	0	0	112.6	L60 R61 N62 R67 N68	L60-A64 PolarHBondContact O-N 2.9Å; L60-A64 VanDerWaalsContact O-N 3.11Å; R61-A64 PolarHBondContact O-N 3.45Å; N62-A64 VanDerWaalsContact C-N 3.34Å; N62-A64 PolarHBondContact O-N 2.9Å; A64-R67 PolarHBondContact O-N 2.82Å; A64-N68 VanDerWaalsContact O-CB 3.31Å; A64-N68 WeakPolarHBondContact O-CB 3.29Å; A64-N68 PolarHBondContact O-N 3.48Å
65	T	95.7	Very high	96.1	Very high	61 Å²	61	44.1 Å²	44.1	37%	0.374	22%	0.216	S	C	.	.	H	α-helix	trans	-63.6	-45.7	175.1	-62.4	0	0	0	0	112.1	L30 R61 N62 K63 R67 N68 V69	L30-T65 HydrophobicContact CD1-CG2 4.35Å; L30-T65 HydrophobicContact CD2-CG2 3.89Å; R61-T65 PolarHBondContact O-N 2.87Å; R61-T65 PolarHBondContact O-OG1 3.48Å; R61-T65 VanDerWaalsContact O-OG1 3.07Å; N62-T65 PolarHBondContact O-N 3.4Å; K63-T65 PolarHBondContact O-N 2.98Å; T65-R67 PolarHBondContact O-N 3.23Å; T65-N68 PolarHBondContact O-N 3.18Å; T65-V69 HydrophobicContact CG2-CG2 4.38Å; T65-V69 WeakPolarHBondContact O-CB 3.5Å; T65-V69 WeakPolarHBondContact O-CG2 3.35Å; T65-V69 PolarHBondContact O-N 2.73Å
66	V	94.9	Very high	95.8	Very high	8 Å²	8	49.1 Å²	49.1	5%	0.048	23%	0.232	C	C	.	.	H	α-helix	trans	-58.5	-47.7	175.8	171.6	0	0	0	0	110.6	L30 N62 K63 N68 V69 K70 L124 H130	L30-V66 HydrophobicContact CD2-CG2 3.67Å; N62-V66 WeakPolarHBondContact O-CG2 3.33Å; N62-V66 PolarHBondContact O-N 2.91Å; K63-V66 PolarHBondContact O-N 2.68Å; V66-N68 PolarHBondContact O-N 3.21Å; V66-V69 PolarHBondContact O-N 3.47Å; V66-K70 HydrophobicContact CG1-CD 4.14Å; V66-K70 WeakPolarHBondContact O-CG 3.34Å; V66-K70 PolarHBondContact O-N 2.9Å; V66-L124 HydrophobicContact CG1-CD1 4.31Å; V66-L124 HydrophobicContact CG2-CD2 4.33Å; V66-H130 HydrophobicContact CG1-CB 4.14Å; V66-H130 HydrophobicContact CG2-CB 4.04Å
67	R	94.7	Very high	95.5	Very high	99 Å²	99	49.1 Å²	49.1	37%	0.374	23%	0.232	S	C	.	.	H	α-helix	trans	-58.8	-49.5	177	-174.2	-172.9	170.7	-76.4	-0.2	111.6	K63 A64 T65 V69 K70 V71 E241 L245	K63-R67 PolarHBondContact O-N 2.95Å; A64-R67 PolarHBondContact O-N 2.82Å; T65-R67 PolarHBondContact O-N 3.23Å; R67-V69 PolarHBondContact O-N 3.48Å; R67-K70 PolarHBondContact O-N 3.26Å; R67-V71 HydrophobicContact CG-CG2 4.49Å; R67-V71 WeakPolarHBondContact O-CG2 3.35Å; R67-V71 PolarHBondContact O-N 3.11Å; R67-E241 IonicContact CZ-OE2 2.76Å; R67-E241 IonicContact NH1-OE2 3.76Å; R67-E241 PolarHBondContact NH1-OE2 3.12Å; R67-E241 IonicContact NH2-OE2 3.73Å; R67-E241 PolarHBondContact NH2-OE2 3.45Å; R67-L245 HydrophobicContact CG-CD1 3.79Å; R67-L245 HydrophobicContact CG-CD2 4.24Å
68	N	95.9	Very high	94.9	Very high	75 Å²	75	50 Å²	50	40%	0.401	24%	0.238	S	C	.	.	H	α-helix	trans	-62.2	-42.9	-178.5	-171.2	-3.8	0	0	0	111.8	A64 T65 V66 K70 V71 Q72	A64-N68 VanDerWaalsContact O-CB 3.31Å; A64-N68 WeakPolarHBondContact O-CB 3.29Å; A64-N68 PolarHBondContact O-N 3.48Å; T65-N68 PolarHBondContact O-N 3.18Å; V66-N68 PolarHBondContact O-N 3.21Å; N68-K70 PolarHBondContact O-N 3.06Å; N68-V71 PolarHBondContact O-N 3.34Å; N68-Q72 WeakPolarHBondContact O-CB 3.33Å; N68-Q72 VanDerWaalsContact O-CG 3.29Å; N68-Q72 WeakPolarHBondContact O-CG 3.31Å; N68-Q72 PolarHBondContact O-N 3.39Å; N68-Q72 PolarHBondContact OD1-NE2 2.97Å
69	V	95.6	Very high	94	Very high	20 Å²	20	52.5 Å²	52.5	12%	0.121	26%	0.255	C	S	.	.	H	α-helix	trans	-61.9	-44.9	175.9	168.9	0	0	0	0	111.7	T65 V66 R67 Q72 C73 K123 L124	T65-V69 HydrophobicContact CG2-CG2 4.38Å; T65-V69 WeakPolarHBondContact O-CB 3.5Å; T65-V69 WeakPolarHBondContact O-CG2 3.35Å; T65-V69 PolarHBondContact O-N 2.73Å; V66-V69 PolarHBondContact O-N 3.47Å; R67-V69 PolarHBondContact O-N 3.48Å; V69-Q72 PolarHBondContact O-N 2.94Å; V69-C73 WeakPolarHBondContact O-CB 3.34Å; V69-C73 PolarHBondContact O-N 2.74Å; V69-C73 PolarHBondContact O-SG 3.31Å; V69-K123 HydrophobicContact CG1-CB 3.64Å; V69-K123 HydrophobicContact CG1-CD 3.62Å; V69-K123 HydrophobicContact CG1-CG 4.32Å; V69-K123 HydrophobicContact CG2-CD 4.47Å; V69-L124 HydrophobicContact CB-CD1 4.31Å; V69-L124 HydrophobicContact CB-CD2 4.06Å; V69-L124 HydrophobicContact CB-CG 4.3Å; V69-L124 HydrophobicContact CG1-CD1 3.84Å; V69-L124 HydrophobicContact CG1-CD2 3.91Å; V69-L124 HydrophobicContact CG1-CG 3.67Å; V69-L124 HydrophobicContact CG2-CD2 4.26Å
70	K	94.9	Very high	92.9	Very high	47 Å²	47	58.6 Å²	58.6	20%	0.204	28%	0.283	C	S	.	.	H	α-helix	trans	-59	-50.8	175.4	-74.1	-176.7	166.6	177.2	0	111.6	V66 R67 N68 Q72 C73 R74 E120 L124 L245	V66-K70 HydrophobicContact CG1-CD 4.14Å; V66-K70 WeakPolarHBondContact O-CG 3.34Å; V66-K70 PolarHBondContact O-N 2.9Å; R67-K70 PolarHBondContact O-N 3.26Å; N68-K70 PolarHBondContact O-N 3.06Å; K70-Q72 PolarHBondContact O-N 2.91Å; K70-C73 PolarHBondContact O-N 3.44Å; K70-R74 WeakPolarHBondContact O-CB 3.46Å; K70-R74 WeakPolarHBondContact O-CD 3.38Å; K70-R74 WeakPolarHBondContact O-CG 3.21Å; K70-R74 PolarHBondContact O-N 3.37Å; K70-E120 VanDerWaalsContact CE-OE2 3.29Å; K70-E120 WeakPolarHBondContact CE-OE2 3.43Å; K70-E120 HydrophobicContact CG-CG 4.34Å; K70-E120 WeakPolarHBondContact CG-OE2 3.46Å; K70-L124 HydrophobicContact CG-CD1 4.23Å; K70-L245 HydrophobicContact CB-CD2 3.91Å
71	V	95.9	Very high	91.2	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.018	28%	0.28	C	S	.	.	H	α-helix	trans	-53.4	-52.5	174.6	167.6	0	0	0	0	111.5	R67 N68 C73 R74 L75 E241 L245	R67-V71 HydrophobicContact CG-CG2 4.49Å; R67-V71 WeakPolarHBondContact O-CG2 3.35Å; R67-V71 PolarHBondContact O-N 3.11Å; N68-V71 PolarHBondContact O-N 3.34Å; V71-C73 PolarHBondContact O-N 2.96Å; V71-R74 PolarHBondContact O-N 3.12Å; V71-L75 HydrophobicContact CG1-CD1 3.64Å; V71-L75 HydrophobicContact CG1-CG 4.34Å; V71-L75 WeakPolarHBondContact O-CB 3.49Å; V71-L75 WeakPolarHBondContact O-CG 3.29Å; V71-L75 PolarHBondContact O-N 2.89Å; V71-E241 HydrophobicContact CG1-CB 4.05Å; V71-E241 HydrophobicContact CG1-CG 3.74Å; V71-E241 HydrophobicContact CG2-CB 4.02Å; V71-E241 HydrophobicContact CG2-CG 4.46Å; V71-L245 HydrophobicContact CG2-CD1 3.79Å; V71-L245 HydrophobicContact CG2-CD2 3.92Å; V71-L245 HydrophobicContact CG2-CG 3.66Å
72	Q	95.7	Very high	89.5	Confident	93 Å²	93	54.9 Å²	54.9	44%	0.435	28%	0.282	S	S	.	.	H	α-helix	trans	-61.1	-42.9	-178.4	-73.7	177.1	19.3	0	0	112.9	N68 V69 K70 R76	N68-Q72 WeakPolarHBondContact O-CB 3.33Å; N68-Q72 VanDerWaalsContact O-CG 3.29Å; N68-Q72 WeakPolarHBondContact O-CG 3.31Å; N68-Q72 PolarHBondContact O-N 3.39Å; N68-Q72 PolarHBondContact OD1-NE2 2.97Å; V69-Q72 PolarHBondContact O-N 2.94Å; K70-Q72 PolarHBondContact O-N 2.91Å; Q72-R76 WeakPolarHBondContact O-CB 3.17Å; Q72-R76 PolarHBondContact O-N 3.47Å
73	C	94.7	Very high	87.7	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66.5	-46.6	178.6	-76.2	0	0	0	0	111.5	V69 K70 V71 R76 C77 C119 E120	V69-C73 WeakPolarHBondContact O-CB 3.34Å; V69-C73 PolarHBondContact O-N 2.74Å; V69-C73 PolarHBondContact O-SG 3.31Å; K70-C73 PolarHBondContact O-N 3.44Å; V71-C73 PolarHBondContact O-N 2.96Å; C73-R76 PolarHBondContact O-N 3.1Å; C73-C77 WeakPolarHBondContact O-CB 3.31Å; C73-C77 PolarHBondContact O-N 3.32Å; C73-C77 PolarHBondContact O-SG 3.49Å; C73-C119 WeakPolarHBondContact CA-SG 3.39Å; C73-C119 HydrophobicContact CB-CB 3.63Å; C73-C119 WeakPolarHBondContact CB-SG 3.29Å; C73-C119 WeakPolarHBondContact SG-CB 3.42Å; C73-C119 PolarHBondContact SG-O 2.85Å; C73-C119 CovalentContact SG-SG 2.04Å; C73-C119 PolarHBondContact SG-SG 2.9Å; C73-E120 HydrophobicContact CB-CG 4.1Å
74	R	94.2	Very high	85.5	Confident	22 Å²	22	59 Å²	59	8%	0.083	32%	0.322	C	S	.	.	H	α-helix	trans	-64.8	-46.4	-178.7	-66.1	164	-161.8	-155.6	-9.4	111.6	K70 V71 R76 C77 D78 V116 E120 A244 L245 E247	K70-R74 WeakPolarHBondContact O-CB 3.46Å; K70-R74 WeakPolarHBondContact O-CD 3.38Å; K70-R74 WeakPolarHBondContact O-CG 3.21Å; K70-R74 PolarHBondContact O-N 3.37Å; V71-R74 PolarHBondContact O-N 3.12Å; R74-R76 PolarHBondContact O-N 2.77Å; R74-C77 PolarHBondContact O-N 3.03Å; R74-D78 VanDerWaalsContact O-CB 3.28Å; R74-D78 WeakPolarHBondContact O-CB 3.3Å; R74-D78 PolarHBondContact O-N 3.38Å; R74-V116 HydrophobicContact CG-CG1 3.87Å; R74-V116 HydrophobicContact CG-CG2 4.16Å; R74-E120 IonicContact CZ-OE1 3.4Å; R74-E120 IonicContact NE-OE1 3.31Å; R74-E120 PolarHBondContact NE-OE1 2.68Å; R74-E120 IonicContact NH2-OE1 3.03Å; R74-E120 PolarHBondContact NH2-OE1 3.28Å; R74-E120 IonicContact NH2-OE2 3.39Å; R74-E120 PolarHBondContact NH2-OE2 3.23Å; R74-A244 HydrophobicContact CB-CB 4.05Å; R74-A244 WeakPolarHBondContact CD-O 3.47Å; R74-L245 PolarHBondContact NH1-O 3.3Å; R74-E247 HydrophobicContact CG-CB 4.18Å; R74-E247 PolarHBondContact NE-O 3.08Å; R74-E247 PolarHBondContact NH1-O 3.31Å
75	L	93.6	Very high	82.9	Confident	56 Å²	56	61.8 Å²	61.8	29%	0.293	33%	0.325	S	S	.	.	H	α-helix	trans	-62.8	-38.5	173.7	-70.1	174.8	0	0	0	112.9	V71 N79 A244	V71-L75 HydrophobicContact CG1-CD1 3.64Å; V71-L75 HydrophobicContact CG1-CG 4.34Å; V71-L75 WeakPolarHBondContact O-CB 3.49Å; V71-L75 WeakPolarHBondContact O-CG 3.29Å; V71-L75 PolarHBondContact O-N 2.89Å; L75-N79 PolarHBondContact O-N 3.15Å; L75-N79 PolarHBondContact O-ND2 2.86Å; L75-A244 HydrophobicContact CD2-CB 3.76Å; L75-A244 HydrophobicContact CG-CB 3.81Å
76	R	92.8	Very high	80.4	Confident	137 Å²	137	64 Å²	64	52%	0.517	34%	0.34	S	S	.	.	H	α-helix	trans	-64.5	-45	176.5	-179.2	-176	-179.3	-155.8	2.3	111.7	Q72 C73 R74 Q80	Q72-R76 WeakPolarHBondContact O-CB 3.17Å; Q72-R76 PolarHBondContact O-N 3.47Å; C73-R76 PolarHBondContact O-N 3.1Å; R74-R76 PolarHBondContact O-N 2.77Å; R76-Q80 WeakPolarHBondContact O-CG 3.4Å; R76-Q80 PolarHBondContact O-N 3.42Å
77	C	91.3	Very high	78	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-74	-32.1	-178.4	-65.8	0	0	0	0	112.8	C73 R74 Q80 S81 C115 V116	C73-C77 WeakPolarHBondContact O-CB 3.31Å; C73-C77 PolarHBondContact O-N 3.32Å; C73-C77 PolarHBondContact O-SG 3.49Å; R74-C77 PolarHBondContact O-N 3.03Å; C77-Q80 PolarHBondContact O-N 3.29Å; C77-S81 VanDerWaalsContact O-CB 3.28Å; C77-S81 WeakPolarHBondContact O-CB 3.34Å; C77-S81 PolarHBondContact O-N 3.06Å; C77-S81 PolarHBondContact O-OG 3.41Å; C77-C115 VanDerWaalsContact CA-SG 3.54Å; C77-C115 HydrophobicContact CB-CB 3.71Å; C77-C115 WeakPolarHBondContact CB-SG 3.48Å; C77-C115 WeakPolarHBondContact SG-CB 3.47Å; C77-C115 PolarHBondContact SG-O 2.87Å; C77-C115 VanDerWaalsContact SG-O 3.4Å; C77-C115 CovalentContact SG-SG 2.04Å; C77-C115 PolarHBondContact SG-SG 3.02Å; C77-V116 HydrophobicContact CB-CG2 3.63Å; C77-V116 PolarHBondContact SG-N 2.87Å; C77-V116 VanDerWaalsContact SG-N 3.38Å
78	D	85.8	Confident	75.7	Confident	64 Å²	64	73 Å²	73	34%	0.342	38%	0.379	S	S	.	.	H	α-helix	trans	-56.6	-52.4	171.2	-177.4	60.4	0	0	0	111.5	R74 Q80 S81 A82 R112	R74-D78 VanDerWaalsContact O-CB 3.28Å; R74-D78 WeakPolarHBondContact O-CB 3.3Å; R74-D78 PolarHBondContact O-N 3.38Å; D78-Q80 PolarHBondContact O-N 3.06Å; D78-S81 CarbonylContact O-C 3.54Å; D78-S81 PolarHBondContact O-N 2.9Å; D78-A82 PolarHBondContact O-N 2.84Å; D78-R112 IonicContact OD1-CZ 3.14Å; D78-R112 IonicContact OD1-NH1 2.8Å; D78-R112 PolarHBondContact OD1-NH1 3.41Å; D78-R112 IonicContact OD1-NH2 3.34Å; D78-R112 PolarHBondContact OD1-NH2 2.94Å
79	N	78.9	Confident	73.4	Confident	128 Å²	128	72.9 Å²	72.9	68%	0.684	40%	0.396	S	S	*	.	H	α-helix	trans	-62.2	-22.4	176.8	-77.2	-77.7	0	0	0	114.2	L75	L75-N79 PolarHBondContact O-N 3.15Å; L75-N79 PolarHBondContact O-ND2 2.86Å
80	Q	74.1	Confident	70.9	Confident	128 Å²	128	77.1 Å²	77.1	60%	0.598	42%	0.417	S	S	*	.	H	α-helix	trans	-91	-15	176.6	-69.7	-179.4	-2.9	0	0	113.5	R76 C77 D78	R76-Q80 WeakPolarHBondContact O-CG 3.4Å; R76-Q80 PolarHBondContact O-N 3.42Å; C77-Q80 PolarHBondContact O-N 3.29Å; D78-Q80 PolarHBondContact O-N 3.06Å
81	S	62.8	Low	68.2	Low	10 Å²	10	83.2 Å²	83.2	7%	0.07	45%	0.446	C	S	.	.	S	Bend	trans	-121.9	26.6	-170.9	-43.3	0	0	0	0	112.1	C77 D78 L83	C77-S81 VanDerWaalsContact O-CB 3.28Å; C77-S81 WeakPolarHBondContact O-CB 3.34Å; C77-S81 PolarHBondContact O-N 3.06Å; C77-S81 PolarHBondContact O-OG 3.41Å; D78-S81 CarbonylContact O-C 3.54Å; D78-S81 PolarHBondContact O-N 2.9Å; S81-L83 PolarHBondContact O-N 3.14Å
82	A	61.6	Low	65.5	Low	61 Å²	61	90.9 Å²	90.9	50%	0.504	48%	0.48	S	S	.	.			trans	-55.3	121.5	-173.5	0	0	0	0	0	111.7	D78 G84	D78-A82 PolarHBondContact O-N 2.84Å; A82-G84 VanDerWaalsContact C-N 3.31Å; A82-G84 PolarHBondContact O-N 3.04Å
83	L	58.2	Low	62.8	Low	101 Å²	101	92 Å²	92	53%	0.529	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	85	-179.9	-66.4	171.3	0	0	0	109.7	S81 F105 N108	S81-L83 PolarHBondContact O-N 3.14Å; L83-F105 HydrophobicContact CD1-CE2 4.23Å; L83-F105 HydrophobicContact CD2-CD2 3.98Å; L83-F105 HydrophobicContact CD2-CE2 4.42Å; L83-N108 HydrophobicContact CD2-CB 3.91Å
84	G	48.5	Very low	60.4	Low	65 Å²	65	96.8 Å²	96.8	67%	0.67	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	171.3	-16.7	-179.1	0	0	0	0	0	117.6	A82 P86	A82-G84 VanDerWaalsContact C-N 3.31Å; A82-G84 PolarHBondContact O-N 3.04Å; G84-P86 WeakPolarHBondContact O-CD 3.34Å
85	E	41.3	Very low	57.6	Low	120 Å²	120	102.2 Å²	102.2	56%	0.561	56%	0.557	S	S	*	*			trans	-69.3	124.3	169.6	-87.5	-125.6	148.9	0	0	110	R88	E85-R88 IonicContact OE1-NH2 2.97Å; E85-R88 PolarHBondContact OE1-NH2 3.15Å; E85-R88 IonicContact OE2-NE 3.93Å; E85-R88 PolarHBondContact OE2-NE 3.25Å; E85-R88 IonicContact OE2-NH2 2.87Å
86	P	43.2	Very low	55.5	Low	107 Å²	107	103.3 Å²	103.3	70%	0.695	58%	0.582	S	S	*	*			trans	-66	152.9	169.4	-18.5	32.7	0	0	0	111.5	G84 R88	G84-P86 WeakPolarHBondContact O-CD 3.34Å; P86-R88 PolarHBondContact O-N 3.48Å
87	L	45.2	Very low	53.4	Low	77 Å²	77	97.6 Å²	97.6	40%	0.403	56%	0.564	S	S	.	*			trans	-57.6	110.3	173.1	-75.8	168.5	0	0	0	111.1	G89 L90	L87-G89 VanDerWaalsContact C-N 3.32Å; L87-G89 PolarHBondContact O-N 3.08Å; L87-L90 HydrophobicContact CB-CD1 4.45Å; L87-L90 HydrophobicContact CD1-CD1 4.13Å; L87-L90 PolarHBondContact O-N 2.84Å
88	R	45.6	Very low	51.7	Low	219 Å²	219	99 Å²	99	83%	0.826	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	89.8	172.2	-67.8	-173.9	-176.2	-149.3	-1.7	110.4	E85 P86	E85-R88 IonicContact OE1-NH2 2.97Å; E85-R88 PolarHBondContact OE1-NH2 3.15Å; E85-R88 IonicContact OE2-NE 3.93Å; E85-R88 PolarHBondContact OE2-NE 3.25Å; E85-R88 IonicContact OE2-NH2 2.87Å; P86-R88 PolarHBondContact O-N 3.48Å
89	G	47	Very low	50.3	Low	73 Å²	73	100 Å²	100	75%	0.753	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	155.2	-11.9	-179	0	0	0	0	0	115.5	L87	L87-G89 VanDerWaalsContact C-N 3.32Å; L87-G89 PolarHBondContact O-N 3.08Å
90	L	44.4	Very low	49.3	Very low	108 Å²	108	97.5 Å²	97.5	57%	0.565	58%	0.58	S	S	*	*			trans	-114	85	179	-78.4	160.9	0	0	0	111.4	L87 F92	L87-L90 HydrophobicContact CB-CD1 4.45Å; L87-L90 HydrophobicContact CD1-CD1 4.13Å; L87-L90 PolarHBondContact O-N 2.84Å; L90-F92 PolarHBondContact O-N 3.39Å
91	E	37.7	Very low	48.6	Very low	176 Å²	176	96.8 Å²	96.8	82%	0.822	58%	0.577	S	S	*	*			trans	-75.4	2	179.3	-65.4	-171.8	131.5	0	0	114.5
92	F	39.2	Very low	48.6	Very low	164 Å²	164	100.6 Å²	100.6	72%	0.719	60%	0.596	S	S	*	*	S	Bend	trans	-135.7	123.4	-178.1	-64.4	-79.1	0	0	0	111.6	L90 I94	L90-F92 PolarHBondContact O-N 3.39Å; F92-I94 PolarHBondContact O-N 3.41Å
93	P	39.4	Very low	49.1	Very low	115 Å²	115	102.7 Å²	102.7	75%	0.747	60%	0.598	S	S	*	*			trans	-64.7	120.4	167.4	-16.1	29.8	0	0	0	109.4	P95	P93-P95 WeakPolarHBondContact O-CD 3.47Å
94	I	44.8	Very low	49.7	Very low	102 Å²	102	98.8 Å²	98.8	52%	0.523	58%	0.58	S	S	.	*			trans	-88.1	116.5	177.6	-63.1	174.6	0	0	0	107.8	F92 G96 A97	F92-I94 PolarHBondContact O-N 3.41Å; I94-G96 PolarHBondContact O-N 2.94Å; I94-A97 HydrophobicContact CB-CB 3.78Å; I94-A97 HydrophobicContact CG2-CB 4.13Å; I94-A97 VanDerWaalsContact O-CB 3.27Å; I94-A97 WeakPolarHBondContact O-CB 3.2Å; I94-A97 PolarHBondContact O-N 3.31Å
95	P	35.3	Very low	50.9	Low	136 Å²	136	99.9 Å²	99.9	88%	0.883	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	113	-177.8	-24.1	35.4	0	0	0	111.6	P93	P93-P95 WeakPolarHBondContact O-CD 3.47Å
96	G	49.3	Very low	52.5	Low	79 Å²	79	96 Å²	96	81%	0.814	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.6	7.1	-175.6	0	0	0	0	0	115.6	I94 G98	I94-G96 PolarHBondContact O-N 2.94Å; G96-G98 PolarHBondContact O-N 3.44Å
97	A	47.9	Very low	54.2	Low	16 Å²	16	95.4 Å²	95.4	13%	0.132	54%	0.535	C	S	.	.			trans	-89	17.2	-178.2	0	0	0	0	0	116	I94 S99 V100 E101	I94-A97 HydrophobicContact CB-CB 3.78Å; I94-A97 HydrophobicContact CG2-CB 4.13Å; I94-A97 VanDerWaalsContact O-CB 3.27Å; I94-A97 WeakPolarHBondContact O-CB 3.2Å; I94-A97 PolarHBondContact O-N 3.31Å; A97-S99 PolarHBondContact O-N 2.97Å; A97-V100 WeakPolarHBondContact O-CA 3.43Å; A97-V100 WeakPolarHBondContact O-CB 3.49Å; A97-V100 PolarHBondContact O-N 3.22Å; A97-E101 PolarHBondContact O-N 2.58Å
98	G	54.5	Low	55.8	Low	31 Å²	31	92.8 Å²	92.8	32%	0.32	52%	0.522	S	S	.	.	H	α-helix	trans	-51.9	-42.1	179.2	0	0	0	0	0	113.2	G96 V100 E101 D102	G96-G98 PolarHBondContact O-N 3.44Å; G98-V100 PolarHBondContact O-N 3.35Å; G98-E101 WeakPolarHBondContact O-CB 3.37Å; G98-E101 PolarHBondContact O-N 2.74Å; G98-D102 PolarHBondContact O-N 3.49Å
99	S	56.7	Low	57.4	Low	85 Å²	85	83.1 Å²	83.1	59%	0.594	49%	0.486	S	S	*	.	H	α-helix	trans	-67.4	-4.2	176	57.7	0	0	0	0	115.6	A97 L103	A97-S99 PolarHBondContact O-N 2.97Å; S99-L103 WeakPolarHBondContact O-CG 3.46Å
100	V	58.2	Low	59.1	Low	75 Å²	75	85.4 Å²	85.4	46%	0.455	48%	0.481	S	S	.	.	H	α-helix	trans	-105.6	-31.9	171.5	-174.8	0	0	0	0	110.5	A97 G98 D102 L103	A97-V100 WeakPolarHBondContact O-CA 3.43Å; A97-V100 WeakPolarHBondContact O-CB 3.49Å; A97-V100 PolarHBondContact O-N 3.22Å; G98-V100 PolarHBondContact O-N 3.35Å; V100-D102 VanDerWaalsContact C-N 3.34Å; V100-L103 WeakPolarHBondContact O-CB 3.44Å; V100-L103 PolarHBondContact O-N 3.39Å
101	E	59.8	Low	61.1	Low	112 Å²	112	84.9 Å²	84.9	52%	0.523	47%	0.474	S	S	.	.	H	α-helix	trans	-65.3	-39.4	171	-68.3	156.6	179.6	0	0	110.3	A97 G98 L103 S104	A97-E101 PolarHBondContact O-N 2.58Å; G98-E101 WeakPolarHBondContact O-CB 3.37Å; G98-E101 PolarHBondContact O-N 2.74Å; E101-L103 VanDerWaalsContact C-N 3.26Å; E101-L103 PolarHBondContact O-N 2.97Å; E101-S104 VanDerWaalsContact O-CB 3.26Å; E101-S104 WeakPolarHBondContact O-CB 3.48Å; E101-S104 PolarHBondContact O-N 2.86Å
102	D	63.8	Low	63.4	Low	91 Å²	91	77.7 Å²	77.7	49%	0.487	44%	0.439	S	S	.	.	H	α-helix	trans	-56	-35.9	169.8	-65.3	-31.5	0	0	0	112.7	G98 V100 S104 F105 F106	G98-D102 PolarHBondContact O-N 3.49Å; V100-D102 VanDerWaalsContact C-N 3.34Å; D102-S104 PolarHBondContact O-N 3.05Å; D102-F105 WeakPolarHBondContact O-CB 3.31Å; D102-F105 PolarHBondContact O-N 3.43Å; D102-F105 VanDerWaalsContact O-N 3.11Å; D102-F106 HydrophobicContact CB-CE2 4.08Å; D102-F106 WeakPolarHBondContact O-CD2 3.03Å; D102-F106 PolarHBondContact O-N 2.72Å
103	L	70.7	Confident	65.7	Low	104 Å²	104	72.6 Å²	72.6	55%	0.545	43%	0.427	S	S	.	.	H	α-helix	trans	-65.5	-25.3	176.5	-59.9	175.4	0	0	0	112.2	S99 V100 E101 F106 Q107	S99-L103 WeakPolarHBondContact O-CG 3.46Å; V100-L103 WeakPolarHBondContact O-CB 3.44Å; V100-L103 PolarHBondContact O-N 3.39Å; E101-L103 VanDerWaalsContact C-N 3.26Å; E101-L103 PolarHBondContact O-N 2.97Å; L103-F106 HydrophobicContact CD2-CD2 4.38Å; L103-Q107 VanDerWaalsContact O-CB 3.25Å; L103-Q107 WeakPolarHBondContact O-CB 3.35Å; L103-Q107 PolarHBondContact O-N 3.19Å
104	S	71.5	Confident	68.1	Low	19 Å²	19	72.1 Å²	72.1	13%	0.133	42%	0.419	C	S	.	.	H	α-helix	trans	-72.1	-34.6	173.5	-165.5	0	0	0	0	112	E101 D102 N108	E101-S104 VanDerWaalsContact O-CB 3.26Å; E101-S104 WeakPolarHBondContact O-CB 3.48Å; E101-S104 PolarHBondContact O-N 2.86Å; D102-S104 PolarHBondContact O-N 3.05Å; S104-N108 VanDerWaalsContact O-CG 3.29Å; S104-N108 PolarHBondContact O-N 3.4Å; S104-N108 VanDerWaalsContact O-N 3.15Å; S104-N108 PolarHBondContact O-ND2 2.97Å
105	F	74.3	Confident	70.3	Confident	88 Å²	88	68.5 Å²	68.5	39%	0.386	40%	0.402	S	S	.	.	H	α-helix	trans	-63.2	-53.8	171.2	169.7	-98.7	0	0	0	109.9	L83 D102 Q107 N108 I109	L83-F105 HydrophobicContact CD1-CE2 4.23Å; L83-F105 HydrophobicContact CD2-CD2 3.98Å; L83-F105 HydrophobicContact CD2-CE2 4.42Å; D102-F105 WeakPolarHBondContact O-CB 3.31Å; D102-F105 PolarHBondContact O-N 3.43Å; D102-F105 VanDerWaalsContact O-N 3.11Å; F105-Q107 VanDerWaalsContact C-N 3.33Å; F105-Q107 PolarHBondContact O-N 2.73Å; F105-N108 PolarHBondContact O-N 3.29Å; F105-N108 VanDerWaalsContact O-N 3.12Å; F105-I109 HydrophobicContact CD1-CD1 3.79Å; F105-I109 HydrophobicContact CD2-CD1 4.38Å; F105-I109 HydrophobicContact CE1-CD1 3.4Å; F105-I109 HydrophobicContact CE2-CD1 4.04Å; F105-I109 HydrophobicContact CG-CD1 4.27Å; F105-I109 HydrophobicContact CZ-CD1 3.55Å; F105-I109 WeakPolarHBondContact O-CG1 3.41Å; F105-I109 PolarHBondContact O-N 3.21Å; F105-I109 VanDerWaalsContact O-N 3.12Å
106	F	74.8	Confident	73	Confident	40 Å²	40	63 Å²	63	18%	0.175	37%	0.365	C	S	.	.	H	α-helix	trans	-59.5	-39.4	177.6	-60.9	-52.7	0	0	0	113.1	D102 L103 N108 I109 L110 F265 M268	D102-F106 HydrophobicContact CB-CE2 4.08Å; D102-F106 WeakPolarHBondContact O-CD2 3.03Å; D102-F106 PolarHBondContact O-N 2.72Å; L103-F106 HydrophobicContact CD2-CD2 4.38Å; F106-N108 VanDerWaalsContact C-N 3.34Å; F106-N108 PolarHBondContact O-N 3.21Å; F106-I109 PolarHBondContact O-N 2.63Å; F106-L110 WeakPolarHBondContact O-CG 3.41Å; F106-L110 PolarHBondContact O-N 2.95Å; F106-F265 HydrophobicContact CE2-CE1 4.04Å; F106-F265 HydrophobicContact CZ-CD1 4.14Å; F106-F265 AromaticContact CZ-CE1 3.81Å; F106-F265 HydrophobicContact CZ-CE1 3.81Å; F106-M268 HydrophobicContact CD1-CE 3.63Å; F106-M268 HydrophobicContact CD1-SD 3.46Å; F106-M268 WeakPolarHBondContact CD1-SD 3.18Å; F106-M268 HydrophobicContact CE1-CE 4.02Å; F106-M268 HydrophobicContact CE1-SD 3.68Å; F106-M268 HydrophobicContact CG-SD 4.49Å
107	Q	78.1	Confident	75	Confident	94 Å²	94	63.2 Å²	63.2	44%	0.439	35%	0.348	S	S	.	.	H	α-helix	trans	-63.1	-39.3	176.5	-164	-166.7	59	0	0	112.2	L103 F105 L110 K111	L103-Q107 VanDerWaalsContact O-CB 3.25Å; L103-Q107 WeakPolarHBondContact O-CB 3.35Å; L103-Q107 PolarHBondContact O-N 3.19Å; F105-Q107 VanDerWaalsContact C-N 3.33Å; F105-Q107 PolarHBondContact O-N 2.73Å; Q107-L110 PolarHBondContact O-N 3.06Å; Q107-K111 VanDerWaalsContact O-CG 3.28Å; Q107-K111 WeakPolarHBondContact O-CG 3.49Å; Q107-K111 PolarHBondContact O-N 2.95Å; Q107-K111 VanDerWaalsContact OE1-CE 3.3Å
108	N	78.8	Confident	77.1	Confident	21 Å²	21	65.4 Å²	65.4	11%	0.112	36%	0.362	C	S	.	.	H	α-helix	trans	-70.7	-32.3	178.9	-71.6	-15.6	0	0	0	112.3	L83 S104 F105 F106 K111 R112	L83-N108 HydrophobicContact CD2-CB 3.91Å; S104-N108 VanDerWaalsContact O-CG 3.29Å; S104-N108 PolarHBondContact O-N 3.4Å; S104-N108 VanDerWaalsContact O-N 3.15Å; S104-N108 PolarHBondContact O-ND2 2.97Å; F105-N108 PolarHBondContact O-N 3.29Å; F105-N108 VanDerWaalsContact O-N 3.12Å; F106-N108 VanDerWaalsContact C-N 3.34Å; F106-N108 PolarHBondContact O-N 3.21Å; N108-K111 PolarHBondContact OD1-NZ 2.87Å; N108-R112 WeakPolarHBondContact O-CB 3.29Å; N108-R112 PolarHBondContact O-N 2.79Å
109	I	79.6	Confident	79	Confident	16 Å²	16	64.1 Å²	64.1	8%	0.082	35%	0.349	C	S	.	.	H	α-helix	trans	-64.8	-47.1	171.9	-62.9	172.3	0	0	0	110.9	F105 F106 K111 R112 A113 M268 Y272	F105-I109 HydrophobicContact CD1-CD1 3.79Å; F105-I109 HydrophobicContact CD2-CD1 4.38Å; F105-I109 HydrophobicContact CE1-CD1 3.4Å; F105-I109 HydrophobicContact CE2-CD1 4.04Å; F105-I109 HydrophobicContact CG-CD1 4.27Å; F105-I109 HydrophobicContact CZ-CD1 3.55Å; F105-I109 WeakPolarHBondContact O-CG1 3.41Å; F105-I109 PolarHBondContact O-N 3.21Å; F105-I109 VanDerWaalsContact O-N 3.12Å; F106-I109 PolarHBondContact O-N 2.63Å; I109-K111 PolarHBondContact O-N 3.28Å; I109-R112 WeakPolarHBondContact O-CB 3.45Å; I109-R112 PolarHBondContact O-N 3.23Å; I109-A113 PolarHBondContact O-N 3.31Å; I109-M268 HydrophobicContact CB-CE 4.29Å; I109-M268 HydrophobicContact CD1-CE 3.54Å; I109-M268 HydrophobicContact CG2-CE 3.87Å; I109-Y272 HydrophobicContact CD1-CE2 3.75Å; I109-Y272 HydrophobicContact CG1-CE2 4.4Å; I109-Y272 WeakPolarHBondContact CG1-OH 3.5Å; I109-Y272 HydrophobicContact CG2-CE2 4.07Å
110	L	82.7	Confident	80.8	Confident	122 Å²	122	61.4 Å²	61.4	64%	0.639	33%	0.327	S	S	*	.	H	α-helix	trans	-65.1	-39.8	179	-67	172.3	0	0	0	112.2	F106 Q107 A113 D114	F106-L110 WeakPolarHBondContact O-CG 3.41Å; F106-L110 PolarHBondContact O-N 2.95Å; Q107-L110 PolarHBondContact O-N 3.06Å; L110-A113 PolarHBondContact O-N 2.84Å; L110-D114 WeakPolarHBondContact O-CB 3.49Å; L110-D114 PolarHBondContact O-N 3.28Å
111	K	85.3	Confident	82.4	Confident	96 Å²	96	60.5 Å²	60.5	42%	0.417	32%	0.321	S	S	.	.	H	α-helix	trans	-60.3	-43.2	171.5	-72.4	169.1	-169.4	154	0	112.3	Q107 N108 I109 D114 C115	Q107-K111 VanDerWaalsContact O-CG 3.28Å; Q107-K111 WeakPolarHBondContact O-CG 3.49Å; Q107-K111 PolarHBondContact O-N 2.95Å; Q107-K111 VanDerWaalsContact OE1-CE 3.3Å; N108-K111 PolarHBondContact OD1-NZ 2.87Å; I109-K111 PolarHBondContact O-N 3.28Å; K111-D114 PolarHBondContact O-N 2.88Å; K111-C115 VanDerWaalsContact O-CB 3.26Å; K111-C115 WeakPolarHBondContact O-CB 3.22Å; K111-C115 PolarHBondContact O-N 3.27Å
112	R	86.6	Confident	84	Confident	26 Å²	26	62.6 Å²	62.6	10%	0.098	33%	0.331	C	S	.	.	H	α-helix	trans	-60.6	-48.8	177.6	-176.4	-165.6	-171.2	87	0.2	110.6	D78 N108 I109 C115 V116 E247	D78-R112 IonicContact OD1-CZ 3.14Å; D78-R112 IonicContact OD1-NH1 2.8Å; D78-R112 PolarHBondContact OD1-NH1 3.41Å; D78-R112 IonicContact OD1-NH2 3.34Å; D78-R112 PolarHBondContact OD1-NH2 2.94Å; N108-R112 WeakPolarHBondContact O-CB 3.29Å; N108-R112 PolarHBondContact O-N 2.79Å; I109-R112 WeakPolarHBondContact O-CB 3.45Å; I109-R112 PolarHBondContact O-N 3.23Å; R112-C115 PolarHBondContact O-N 2.79Å; R112-V116 WeakPolarHBondContact O-CG2 3.28Å; R112-V116 PolarHBondContact O-N 3.36Å; R112-E247 IonicContact CZ-OE1 3.52Å; R112-E247 IonicContact CZ-OE2 3.38Å; R112-E247 IonicContact NE-OE1 3.69Å; R112-E247 IonicContact NE-OE2 3.08Å; R112-E247 PolarHBondContact NE-OE2 3.16Å; R112-E247 IonicContact NH2-OE1 3.65Å; R112-E247 PolarHBondContact NH2-OE1 3.36Å; R112-E247 IonicContact NH2-OE2 2.84Å; R112-E247 PolarHBondContact NH2-OE2 3.04Å
113	A	87.1	Confident	85.4	Confident	57 Å²	57	62.4 Å²	62.4	47%	0.471	33%	0.326	S	S	.	.	H	α-helix	trans	-62.2	-45.7	178.8	0	0	0	0	0	112.2	I109 L110 V116 N117	I109-A113 PolarHBondContact O-N 3.31Å; L110-A113 PolarHBondContact O-N 2.84Å; A113-V116 PolarHBondContact O-N 3.27Å; A113-N117 VanDerWaalsContact O-CB 3.26Å; A113-N117 WeakPolarHBondContact O-CB 3.33Å; A113-N117 PolarHBondContact O-N 2.83Å
114	D	89.7	Confident	86.4	Confident	105 Å²	105	58.1 Å²	58.1	56%	0.561	30%	0.303	S	S	*	.	H	α-helix	trans	-62.1	-42.8	176.6	-177.7	54	0	0	0	112.4	L110 K111 S118	L110-D114 WeakPolarHBondContact O-CB 3.49Å; L110-D114 PolarHBondContact O-N 3.28Å; K111-D114 PolarHBondContact O-N 2.88Å; D114-S118 WeakPolarHBondContact O-CB 3.16Å; D114-S118 PolarHBondContact O-N 3.26Å; D114-S118 PolarHBondContact O-OG 2.84Å
115	C	92.4	Very high	87.4	Confident	26 Å²	26	58.6 Å²	58.6	18%	0.176	31%	0.312	C	S	.	.	H	α-helix	trans	-60.9	-47.1	174.2	178.6	0	0	0	0	112.2	C77 K111 R112 C119	C77-C115 VanDerWaalsContact CA-SG 3.54Å; C77-C115 HydrophobicContact CB-CB 3.71Å; C77-C115 WeakPolarHBondContact CB-SG 3.48Å; C77-C115 WeakPolarHBondContact SG-CB 3.47Å; C77-C115 PolarHBondContact SG-O 2.87Å; C77-C115 VanDerWaalsContact SG-O 3.4Å; C77-C115 CovalentContact SG-SG 2.04Å; C77-C115 PolarHBondContact SG-SG 3.02Å; K111-C115 VanDerWaalsContact O-CB 3.26Å; K111-C115 WeakPolarHBondContact O-CB 3.22Å; K111-C115 PolarHBondContact O-N 3.27Å; R112-C115 PolarHBondContact O-N 2.79Å; C115-C119 VanDerWaalsContact O-CB 3.23Å; C115-C119 WeakPolarHBondContact O-CB 3.45Å; C115-C119 PolarHBondContact O-N 2.88Å
116	V	91.6	Very high	88	Confident	19 Å²	19	57.4 Å²	57.4	12%	0.115	31%	0.314	C	S	.	.	H	α-helix	trans	-65.1	-49	179.8	170.4	0	0	0	0	110.5	R74 C77 R112 A113 S118 C119 E120	R74-V116 HydrophobicContact CG-CG1 3.87Å; R74-V116 HydrophobicContact CG-CG2 4.16Å; C77-V116 HydrophobicContact CB-CG2 3.63Å; C77-V116 PolarHBondContact SG-N 2.87Å; C77-V116 VanDerWaalsContact SG-N 3.38Å; R112-V116 WeakPolarHBondContact O-CG2 3.28Å; R112-V116 PolarHBondContact O-N 3.36Å; A113-V116 PolarHBondContact O-N 3.27Å; V116-S118 VanDerWaalsContact C-N 3.35Å; V116-S118 PolarHBondContact O-N 3.22Å; V116-C119 PolarHBondContact O-N 2.99Å; V116-E120 WeakPolarHBondContact CG1-OE1 3.42Å; V116-E120 WeakPolarHBondContact O-CB 3.38Å; V116-E120 PolarHBondContact O-N 3.49Å
117	N	91.1	Very high	88.2	Confident	85 Å²	85	59.3 Å²	59.3	46%	0.455	33%	0.33	S	S	.	.	H	α-helix	trans	-59.7	-44.1	178.6	-178.4	62.7	0	0	0	111.8	A113 T121	A113-N117 VanDerWaalsContact O-CB 3.26Å; A113-N117 WeakPolarHBondContact O-CB 3.33Å; A113-N117 PolarHBondContact O-N 2.83Å; N117-T121 WeakPolarHBondContact O-CB 3.31Å; N117-T121 PolarHBondContact O-N 2.84Å; N117-T121 PolarHBondContact O-OG1 3.13Å
118	S	93	Very high	88.5	Confident	61 Å²	61	59.2 Å²	59.2	43%	0.427	34%	0.336	S	S	.	.	H	α-helix	trans	-63.6	-46.8	176.4	-65	0	0	0	0	112.2	D114 V116 T121 E122	D114-S118 WeakPolarHBondContact O-CB 3.16Å; D114-S118 PolarHBondContact O-N 3.26Å; D114-S118 PolarHBondContact O-OG 2.84Å; V116-S118 VanDerWaalsContact C-N 3.35Å; V116-S118 PolarHBondContact O-N 3.22Å; S118-T121 PolarHBondContact O-N 2.78Å; S118-E122 VanDerWaalsContact O-CB 3.31Å; S118-E122 WeakPolarHBondContact O-CB 3.48Å; S118-E122 PolarHBondContact O-N 3.45Å
119	C	94.1	Very high	89	Confident	5 Å²	5	61 Å²	61	3%	0.034	35%	0.346	C	S	.	.	H	α-helix	trans	-68.2	-38.2	-178.5	-176.9	0	0	0	0	113	C73 C115 V116 K123	C73-C119 WeakPolarHBondContact CA-SG 3.39Å; C73-C119 HydrophobicContact CB-CB 3.63Å; C73-C119 WeakPolarHBondContact CB-SG 3.29Å; C73-C119 WeakPolarHBondContact SG-CB 3.42Å; C73-C119 PolarHBondContact SG-O 2.85Å; C73-C119 CovalentContact SG-SG 2.04Å; C73-C119 PolarHBondContact SG-SG 2.9Å; C115-C119 VanDerWaalsContact O-CB 3.23Å; C115-C119 WeakPolarHBondContact O-CB 3.45Å; C115-C119 PolarHBondContact O-N 2.88Å; V116-C119 PolarHBondContact O-N 2.99Å; C119-K123 WeakPolarHBondContact O-CG 3.43Å; C119-K123 PolarHBondContact O-N 3.28Å
120	E	93.4	Very high	89.5	Confident	28 Å²	28	60.8 Å²	60.8	13%	0.131	34%	0.344	C	S	.	.	H	α-helix	trans	-69.4	-43.9	173.1	-74.4	-177.2	-147.2	0	0	110.8	K70 C73 R74 V116 E122 K123 L124	K70-E120 VanDerWaalsContact CE-OE2 3.29Å; K70-E120 WeakPolarHBondContact CE-OE2 3.43Å; K70-E120 HydrophobicContact CG-CG 4.34Å; K70-E120 WeakPolarHBondContact CG-OE2 3.46Å; C73-E120 HydrophobicContact CB-CG 4.1Å; R74-E120 IonicContact CZ-OE1 3.4Å; R74-E120 IonicContact NE-OE1 3.31Å; R74-E120 PolarHBondContact NE-OE1 2.68Å; R74-E120 IonicContact NH2-OE1 3.03Å; R74-E120 PolarHBondContact NH2-OE1 3.28Å; R74-E120 IonicContact NH2-OE2 3.39Å; R74-E120 PolarHBondContact NH2-OE2 3.23Å; V116-E120 WeakPolarHBondContact CG1-OE1 3.42Å; V116-E120 WeakPolarHBondContact O-CB 3.38Å; V116-E120 PolarHBondContact O-N 3.49Å; E120-E122 PolarHBondContact O-N 3.27Å; E120-K123 PolarHBondContact O-N 3.29Å; E120-L124 VanDerWaalsContact O-CB 3.29Å; E120-L124 WeakPolarHBondContact O-CB 3.39Å; E120-L124 PolarHBondContact O-N 3.26Å
121	T	92.6	Very high	89.7	Confident	56 Å²	56	61.7 Å²	61.7	34%	0.344	35%	0.345	S	S	.	.	H	α-helix	trans	-64.2	-39.9	179.9	-57	0	0	0	0	112.5	N117 S118 K123 G125	N117-T121 WeakPolarHBondContact O-CB 3.31Å; N117-T121 PolarHBondContact O-N 2.84Å; N117-T121 PolarHBondContact O-OG1 3.13Å; S118-T121 PolarHBondContact O-N 2.78Å; T121-K123 VanDerWaalsContact C-N 3.28Å; T121-K123 PolarHBondContact O-N 2.88Å; T121-G125 WeakPolarHBondContact CA-O 3.3Å; T121-G125 WeakPolarHBondContact O-CA 3.4Å; T121-G125 PolarHBondContact O-N 2.92Å
122	E	93.3	Very high	89.9	Confident	155 Å²	155	58.4 Å²	58.4	72%	0.724	33%	0.333	S	S	*	.	H	α-helix	trans	-58.1	-38.3	175.4	-176	-172.7	-175.9	0	0	112.3	S118 E120	S118-E122 VanDerWaalsContact O-CB 3.31Å; S118-E122 WeakPolarHBondContact O-CB 3.48Å; S118-E122 PolarHBondContact O-N 3.45Å; E120-E122 PolarHBondContact O-N 3.27Å
123	K	92.9	Very high	89.9	Confident	88 Å²	88	60 Å²	60	38%	0.383	35%	0.348	S	S	.	.	H	α-helix	trans	-100.2	-25.9	-171.4	-68.1	178.8	176.1	-177.5	0	114.9	V69 C119 E120 T121	V69-K123 HydrophobicContact CG1-CB 3.64Å; V69-K123 HydrophobicContact CG1-CD 3.62Å; V69-K123 HydrophobicContact CG1-CG 4.32Å; V69-K123 HydrophobicContact CG2-CD 4.47Å; C119-K123 WeakPolarHBondContact O-CG 3.43Å; C119-K123 PolarHBondContact O-N 3.28Å; E120-K123 PolarHBondContact O-N 3.29Å; T121-K123 VanDerWaalsContact C-N 3.28Å; T121-K123 PolarHBondContact O-N 2.88Å
124	L	92.7	Very high	89.7	Confident	13 Å²	13	63.1 Å²	63.1	7%	0.068	35%	0.353	C	S	.	.	H	α-helix	trans	-120.6	-7.2	-172.6	-60.5	-179.8	0	0	0	113.5	L30 V66 V69 K70 E120	L30-L124 HydrophobicContact CD2-CD2 4.05Å; V66-L124 HydrophobicContact CG1-CD1 4.31Å; V66-L124 HydrophobicContact CG2-CD2 4.33Å; V69-L124 HydrophobicContact CB-CD1 4.31Å; V69-L124 HydrophobicContact CB-CD2 4.06Å; V69-L124 HydrophobicContact CB-CG 4.3Å; V69-L124 HydrophobicContact CG1-CD1 3.84Å; V69-L124 HydrophobicContact CG1-CD2 3.91Å; V69-L124 HydrophobicContact CG1-CG 3.67Å; V69-L124 HydrophobicContact CG2-CD2 4.26Å; K70-L124 HydrophobicContact CG-CD1 4.23Å; E120-L124 VanDerWaalsContact O-CB 3.29Å; E120-L124 WeakPolarHBondContact O-CB 3.39Å; E120-L124 PolarHBondContact O-N 3.26Å
125	G	90.5	Very high	89.6	Confident	30 Å²	30	65.1 Å²	65.1	31%	0.309	36%	0.359	S	S	.	.	S	Bend	trans	76.5	-146.2	-174.1	0	0	0	0	0	112.3	T121	T121-G125 WeakPolarHBondContact CA-O 3.3Å; T121-G125 WeakPolarHBondContact O-CA 3.4Å; T121-G125 PolarHBondContact O-N 2.92Å
126	S	87.4	Confident	89.5	Confident	63 Å²	63	64.8 Å²	64.8	44%	0.441	36%	0.356	S	S	.	.	S	Bend	trans	-56.2	135.7	-178	-175.1	0	0	0	0	111.4	T128 L129	S126-T128 PolarHBondContact O-N 3.45Å; S126-T128 PolarHBondContact OG-OG1 3.44Å; S126-L129 VanDerWaalsContact O-CB 3.26Å; S126-L129 WeakPolarHBondContact O-CB 3.15Å; S126-L129 PolarHBondContact O-N 3.29Å
127	P	79.3	Confident	89.4	Confident	79 Å²	79	68.6 Å²	68.6	51%	0.513	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-29.6	174.9	-29.4	36.1	0	0	0	114.1
128	T	84.6	Confident	89.4	Confident	92 Å²	92	69.1 Å²	69.1	56%	0.564	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-16.7	176.6	53.6	0	0	0	0	114.8	S126 H130 Q131	S126-T128 PolarHBondContact O-N 3.45Å; S126-T128 PolarHBondContact OG-OG1 3.44Å; T128-H130 VanDerWaalsContact C-N 3.25Å; T128-H130 PolarHBondContact O-N 3.15Å; T128-Q131 PolarHBondContact O-N 2.92Å
129	L	88.7	Confident	89.4	Confident	59 Å²	59	68.3 Å²	68.3	31%	0.309	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-27.7	-174.1	-178	61.6	0	0	0	112.9	T29 P32 S126	T29-L129 HydrophobicContact CG2-CD2 3.7Å; P32-L129 HydrophobicContact CG-CD1 3.77Å; P32-L129 HydrophobicContact CG-CG 4.2Å; P32-L129 VanDerWaalsContact CG-O 3.3Å; P32-L129 WeakPolarHBondContact CG-O 3.44Å; S126-L129 VanDerWaalsContact O-CB 3.26Å; S126-L129 WeakPolarHBondContact O-CB 3.15Å; S126-L129 PolarHBondContact O-N 3.29Å
130	H	90.3	Very high	89.4	Confident	12 Å²	12	68.3 Å²	68.3	6%	0.056	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	29.6	178.8	-64	-67.2	0	0	0	112	L30 V66 T128	L30-H130 PolarHBondContact O-CE1 2.84Å; L30-H130 PolarHBondContact O-NE2 2.89Å; V66-H130 HydrophobicContact CG1-CB 4.14Å; V66-H130 HydrophobicContact CG2-CB 4.04Å; T128-H130 VanDerWaalsContact C-N 3.25Å; T128-H130 PolarHBondContact O-N 3.15Å
131	Q	87.6	Confident	89.3	Confident	140 Å²	140	69.6 Å²	69.6	65%	0.654	39%	0.385	S	S	*	.			trans	-94.4	125.1	167.3	-177.2	175.6	1.5	0	0	108.1	T128	T128-Q131 PolarHBondContact O-N 2.92Å
132	V	88.9	Confident	89.3	Confident	27 Å²	27	70.6 Å²	70.6	16%	0.164	38%	0.384	C	S	.	.			trans	-117.6	173.2	-178.2	-57.4	0	0	0	0	110.5	Y33 D34 V136 E137	Y33-V132 HydrophobicContact CD1-CG1 4.32Å; Y33-V132 HydrophobicContact CE1-CG1 3.79Å; Y33-V132 HydrophobicContact CE1-CG2 4.43Å; Y33-V132 HydrophobicContact CE2-CG1 4.44Å; Y33-V132 WeakPolarHBondContact OH-CG2 3.26Å; D34-V132 HydrophobicContact CB-CB 4.5Å; D34-V132 HydrophobicContact CB-CG1 3.86Å; V132-V136 HydrophobicContact CB-CB 4.21Å; V132-V136 HydrophobicContact CB-CG1 4.25Å; V132-V136 HydrophobicContact CG2-CB 4.33Å; V132-V136 HydrophobicContact CG2-CG1 4.32Å; V132-E137 HydrophobicContact CG2-CG 3.5Å; V132-E137 VanDerWaalsContact CG2-CG 3.5Å
133	S	86.3	Confident	89.4	Confident	60 Å²	60	64 Å²	64	42%	0.42	35%	0.353	S	S	.	.			trans	-77.8	154.8	171.1	63.9	0	0	0	0	112	E135 V136 E137	S133-E135 PolarHBondContact O-N 3.43Å; S133-V136 PolarHBondContact O-N 3.39Å; S133-V136 PolarHBondContact OG-N 3.43Å; S133-E137 PolarHBondContact O-N 3.15Å; S133-E137 VanDerWaalsContact O-N 3.08Å
134	E	84.3	Confident	89.6	Confident	123 Å²	123	60.6 Å²	60.6	58%	0.575	34%	0.339	S	S	*	.	H	α-helix	trans	-61.3	-25.1	174.3	-59.3	-169.6	137.6	0	0	112.3	E137 L138 R251	E134-E137 PolarHBondContact O-N 3.28Å; E134-L138 VanDerWaalsContact O-CB 3.22Å; E134-L138 WeakPolarHBondContact O-CB 3.28Å; E134-L138 PolarHBondContact O-N 3.45Å; E134-R251 IonicContact OE1-CZ 2.88Å; E134-R251 IonicContact OE1-NH1 3.96Å; E134-R251 PolarHBondContact OE1-NH1 3.17Å; E134-R251 IonicContact OE1-NH2 3.85Å; E134-R251 PolarHBondContact OE1-NH2 3.22Å
135	E	85.9	Confident	89.8	Confident	146 Å²	146	60 Å²	60	68%	0.682	34%	0.336	S	S	*	.	H	α-helix	trans	-62.8	-45.6	171	-177.1	174.7	-159.1	0	0	112	S133 L138 E139	S133-E135 PolarHBondContact O-N 3.43Å; E135-L138 PolarHBondContact O-N 2.74Å; E135-E139 WeakPolarHBondContact O-CG 3.4Å; E135-E139 PolarHBondContact O-N 2.73Å
136	V	90.8	Very high	90.2	Very high	19 Å²	19	59.5 Å²	59.5	12%	0.115	33%	0.325	C	S	.	.	H	α-helix	trans	-68.4	-38.1	175.1	174.2	0	0	0	0	111.1	Y33 D34 V132 S133 L138 E139 F140	Y33-V136 HydrophobicContact CD2-CG1 4.42Å; Y33-V136 HydrophobicContact CE2-CG1 3.89Å; D34-V136 HydrophobicContact CB-CG1 4.12Å; D34-V136 HydrophobicContact CB-CG2 4.25Å; V132-V136 HydrophobicContact CB-CB 4.21Å; V132-V136 HydrophobicContact CB-CG1 4.25Å; V132-V136 HydrophobicContact CG2-CB 4.33Å; V132-V136 HydrophobicContact CG2-CG1 4.32Å; S133-V136 PolarHBondContact O-N 3.39Å; S133-V136 PolarHBondContact OG-N 3.43Å; V136-L138 VanDerWaalsContact C-N 3.3Å; V136-L138 PolarHBondContact O-N 2.86Å; V136-E139 PolarHBondContact O-N 3.38Å; V136-F140 HydrophobicContact CG1-CD2 4.04Å; V136-F140 HydrophobicContact CG1-CE2 4.05Å; V136-F140 WeakPolarHBondContact O-CD2 3.32Å; V136-F140 PolarHBondContact O-N 3.45Å; V136-F140 VanDerWaalsContact O-N 3.14Å
137	E	90.5	Very high	90.6	Very high	100 Å²	100	58.5 Å²	58.5	47%	0.467	32%	0.315	S	S	.	.	H	α-helix	trans	-62	-40.9	174.5	-59.2	-152.8	138.1	0	0	111.4	V132 S133 E134 G141	V132-E137 HydrophobicContact CG2-CG 3.5Å; V132-E137 VanDerWaalsContact CG2-CG 3.5Å; S133-E137 PolarHBondContact O-N 3.15Å; S133-E137 VanDerWaalsContact O-N 3.08Å; E134-E137 PolarHBondContact O-N 3.28Å; E137-G141 PolarHBondContact O-N 3.41Å
138	L	90.1	Very high	91.3	Very high	96 Å²	96	56.8 Å²	56.8	50%	0.503	30%	0.298	S	S	.	.	H	α-helix	trans	-65.2	-44	175.9	178.6	62.9	0	0	0	112.7	E134 E135 V136 F140 G141 K142	E134-L138 VanDerWaalsContact O-CB 3.22Å; E134-L138 WeakPolarHBondContact O-CB 3.28Å; E134-L138 PolarHBondContact O-N 3.45Å; E135-L138 PolarHBondContact O-N 2.74Å; V136-L138 VanDerWaalsContact C-N 3.3Å; V136-L138 PolarHBondContact O-N 2.86Å; L138-F140 VanDerWaalsContact C-N 3.33Å; L138-F140 PolarHBondContact O-N 2.97Å; L138-G141 CarbonylContact O-C 3.59Å; L138-G141 WeakPolarHBondContact O-CA 3.38Å; L138-G141 PolarHBondContact O-N 3.49Å; L138-K142 HydrophobicContact CD1-CG 4.31Å; L138-K142 HydrophobicContact CG-CD 4.39Å; L138-K142 WeakPolarHBondContact O-CG 3.48Å; L138-K142 PolarHBondContact O-N 2.91Å
139	E	92.9	Very high	92	Very high	44 Å²	44	52.6 Å²	52.6	21%	0.206	27%	0.272	C	S	.	.	H	α-helix	trans	-66.3	-34	178.7	-73.5	-52.2	119.3	0	0	112.8	F37 E135 V136 K142 R143 T144	F37-E139 HydrophobicContact CZ-CB 4.24Å; E135-E139 WeakPolarHBondContact O-CG 3.4Å; E135-E139 PolarHBondContact O-N 2.73Å; V136-E139 PolarHBondContact O-N 3.38Å; E139-K142 WeakPolarHBondContact OE1-CD 3.35Å; E139-K142 IonicContact OE1-NZ 3.61Å; E139-K142 PolarHBondContact OE1-NZ 2.71Å; E139-R143 PolarHBondContact O-N 3.4Å; E139-T144 WeakPolarHBondContact O-CB 3.46Å; E139-T144 PolarHBondContact O-N 3.08Å; E139-T144 PolarHBondContact O-OG1 2.94Å; E139-T144 WeakPolarHBondContact OE2-CB 3.3Å; E139-T144 VanDerWaalsContact OE2-CG2 3.31Å; E139-T144 WeakPolarHBondContact OE2-CG2 3.35Å; E139-T144 PolarHBondContact OE2-OG1 3.43Å
140	F	95.2	Very high	92.3	Very high	5 Å²	5	50 Å²	50	2%	0.022	26%	0.259	C	S	.	.	H	α-helix	trans	-73.9	-31	168.5	-79.5	-108.1	0	0	0	112.3	Y33 F37 A59 L60 K63 V136 L138 R143 P145	Y33-F140 HydrophobicContact CD2-CD2 4.35Å; Y33-F140 HydrophobicContact CD2-CE1 4.04Å; Y33-F140 AromaticContact CD2-CE2 3.84Å; Y33-F140 HydrophobicContact CD2-CE2 3.84Å; Y33-F140 AromaticContact CD2-CZ 3.67Å; Y33-F140 HydrophobicContact CD2-CZ 3.67Å; Y33-F140 HydrophobicContact CE2-CD1 4.49Å; Y33-F140 HydrophobicContact CE2-CD2 4.07Å; Y33-F140 HydrophobicContact CE2-CE1 4.42Å; Y33-F140 HydrophobicContact CE2-CE2 4.01Å; Y33-F140 HydrophobicContact CE2-CG 4.31Å; Y33-F140 HydrophobicContact CE2-CZ 4.2Å; F37-F140 HydrophobicContact CB-CE2 3.95Å; F37-F140 HydrophobicContact CB-CZ 4.13Å; F37-F140 AromaticContact CD2-CE2 3.68Å; F37-F140 HydrophobicContact CD2-CE2 3.68Å; F37-F140 HydrophobicContact CD2-CZ 4Å; F37-F140 HydrophobicContact CE2-CE2 4.36Å; F37-F140 AromaticContact CG-CE2 3.88Å; F37-F140 HydrophobicContact CG-CE2 3.88Å; F37-F140 HydrophobicContact CG-CZ 4.36Å; A59-F140 HydrophobicContact CB-CE1 4.39Å; A59-F140 HydrophobicContact CB-CZ 3.95Å; L60-F140 HydrophobicContact CD2-CD1 3.96Å; L60-F140 HydrophobicContact CD2-CE1 3.87Å; L60-F140 HydrophobicContact CG-CE1 4.31Å; K63-F140 HydrophobicContact CD-CB 4.08Å; K63-F140 HydrophobicContact CD-CD1 3.59Å; K63-F140 HydrophobicContact CD-CE1 4.27Å; K63-F140 HydrophobicContact CD-CG 3.98Å; V136-F140 HydrophobicContact CG1-CD2 4.04Å; V136-F140 HydrophobicContact CG1-CE2 4.05Å; V136-F140 WeakPolarHBondContact O-CD2 3.32Å; V136-F140 PolarHBondContact O-N 3.45Å; V136-F140 VanDerWaalsContact O-N 3.14Å; L138-F140 VanDerWaalsContact C-N 3.33Å; L138-F140 PolarHBondContact O-N 2.97Å; F140-R143 WeakPolarHBondContact O-CA 3.49Å; F140-R143 PolarHBondContact O-N 3.49Å; F140-P145 HydrophobicContact CD1-CG 3.82Å; F140-P145 HydrophobicContact CD2-CG 4.17Å; F140-P145 HydrophobicContact CE1-CG 3.73Å; F140-P145 HydrophobicContact CE2-CG 4.09Å; F140-P145 HydrophobicContact CG-CG 4.05Å; F140-P145 HydrophobicContact CZ-CG 3.86Å
141	G	91.4	Very high	92.4	Very high	55 Å²	55	50.6 Å²	50.6	57%	0.567	26%	0.263	S	S	*	.	H	α-helix	trans	-65.3	-40.3	174	0	0	0	0	0	113.2	E137 L138 R143	E137-G141 PolarHBondContact O-N 3.41Å; L138-G141 CarbonylContact O-C 3.59Å; L138-G141 WeakPolarHBondContact O-CA 3.38Å; L138-G141 PolarHBondContact O-N 3.49Å; G141-R143 PolarHBondContact O-N 3.08Å
142	K	91.6	Very high	92.7	Very high	76 Å²	76	43.9 Å²	43.9	33%	0.33	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-2.6	167.3	-65.6	173	-171.9	161.1	0	113.2	L138 E139 T144 F169 N173	L138-K142 HydrophobicContact CD1-CG 4.31Å; L138-K142 HydrophobicContact CG-CD 4.39Å; L138-K142 WeakPolarHBondContact O-CG 3.48Å; L138-K142 PolarHBondContact O-N 2.91Å; E139-K142 WeakPolarHBondContact OE1-CD 3.35Å; E139-K142 IonicContact OE1-NZ 3.61Å; E139-K142 PolarHBondContact OE1-NZ 2.71Å; K142-T144 PolarHBondContact O-N 3.14Å; K142-T144 VanDerWaalsContact O-N 3.17Å; K142-F169 WeakPolarHBondContact O-CD2 3.42Å; K142-F169 WeakPolarHBondContact O-CE2 3.27Å; K142-N173 PolarHBondContact O-ND2 3.29Å
143	R	96.1	Very high	93	Very high	18 Å²	18	43 Å²	43	7%	0.068	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	24.2	-175.1	-59.5	-177.3	170	168.9	-4.5	114.2	E139 F140 G141 P145 Y146 T168 F169 A172 D199 E201	E139-R143 PolarHBondContact O-N 3.4Å; F140-R143 WeakPolarHBondContact O-CA 3.49Å; F140-R143 PolarHBondContact O-N 3.49Å; G141-R143 PolarHBondContact O-N 3.08Å; R143-P145 VanDerWaalsContact C-N 3.29Å; R143-P145 VanDerWaalsContact O-N 3.13Å; R143-Y146 HydrophobicContact CB-CD2 3.94Å; R143-Y146 WeakPolarHBondContact O-CB 3.48Å; R143-Y146 WeakPolarHBondContact O-CD2 2.77Å; R143-Y146 PolarHBondContact O-N 3.04Å; R143-T168 WeakPolarHBondContact CD-O 3.28Å; R143-T168 PolarHBondContact NH1-O 2.98Å; R143-F169 HydrophobicContact CB-CD2 4.45Å; R143-F169 WeakPolarHBondContact O-CD2 3.46Å; R143-A172 HydrophobicContact CB-CB 4.19Å; R143-A172 HydrophobicContact CG-CB 3.9Å; R143-D199 IonicContact CZ-OD1 3.9Å; R143-D199 IonicContact CZ-OD2 3.15Å; R143-D199 VanDerWaalsContact CZ-OD2 3.31Å; R143-D199 IonicContact NH1-OD1 3.55Å; R143-D199 PolarHBondContact NH1-OD1 3.24Å; R143-D199 IonicContact NH1-OD2 2.77Å; R143-D199 PolarHBondContact NH1-OD2 2.94Å; R143-D199 IonicContact NH2-OD1 2.98Å; R143-D199 PolarHBondContact NH2-OD1 2.98Å; R143-D199 IonicContact NH2-OD2 3.6Å; R143-D199 PolarHBondContact NH2-OD2 3.48Å; R143-E201 WeakPolarHBondContact CD-OE2 2.71Å; R143-E201 WeakPolarHBondContact CG-OE2 3.27Å; R143-E201 IonicContact CZ-OE2 3.73Å; R143-E201 IonicContact NE-OE2 3.4Å; R143-E201 PolarHBondContact NE-OE2 3.36Å; R143-E201 VanDerWaalsContact NH2-CB 3.33Å; R143-E201 PolarHBondContact NH2-O 3.36Å
144	T	95.9	Very high	93.4	Very high	15 Å²	15	43.5 Å²	43.5	9%	0.092	22%	0.221	C	C	.	.	H	α-helix	trans	-50.4	-35.3	-179.8	-54.4	0	0	0	0	115	E139 K142 Y146 N147 Y148	E139-T144 WeakPolarHBondContact O-CB 3.46Å; E139-T144 PolarHBondContact O-N 3.08Å; E139-T144 PolarHBondContact O-OG1 2.94Å; E139-T144 WeakPolarHBondContact OE2-CB 3.3Å; E139-T144 VanDerWaalsContact OE2-CG2 3.31Å; E139-T144 WeakPolarHBondContact OE2-CG2 3.35Å; E139-T144 PolarHBondContact OE2-OG1 3.43Å; K142-T144 PolarHBondContact O-N 3.14Å; K142-T144 VanDerWaalsContact O-N 3.17Å; T144-Y146 PolarHBondContact O-N 3.15Å; T144-N147 WeakPolarHBondContact O-CB 3.43Å; T144-N147 PolarHBondContact O-N 2.81Å; T144-Y148 HydrophobicContact CG2-CD2 4.16Å; T144-Y148 HydrophobicContact CG2-CE2 3.77Å; T144-Y148 PolarHBondContact O-N 3.38Å
145	P	98	Very high	93.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-46	-34.7	169.6	-34.1	37.7	0	0	0	115.1	F37 M56 L60 F140 R143 L149	F37-P145 HydrophobicContact CD2-CG 4Å; F37-P145 HydrophobicContact CE2-CG 3.86Å; M56-P145 HydrophobicContact CG-CB 3.8Å; M56-P145 HydrophobicContact SD-CB 3.65Å; M56-P145 HydrophobicContact SD-CG 4.13Å; L60-P145 HydrophobicContact CD1-CB 4.12Å; L60-P145 HydrophobicContact CD2-CB 4Å; L60-P145 HydrophobicContact CD2-CG 4.25Å; L60-P145 HydrophobicContact CG-CB 4.13Å; F140-P145 HydrophobicContact CD1-CG 3.82Å; F140-P145 HydrophobicContact CD2-CG 4.17Å; F140-P145 HydrophobicContact CE1-CG 3.73Å; F140-P145 HydrophobicContact CE2-CG 4.09Å; F140-P145 HydrophobicContact CG-CG 4.05Å; F140-P145 HydrophobicContact CZ-CG 3.86Å; R143-P145 VanDerWaalsContact C-N 3.29Å; R143-P145 VanDerWaalsContact O-N 3.13Å; P145-L149 WeakPolarHBondContact O-CB 3.17Å; P145-L149 WeakPolarHBondContact O-CG 3.31Å; P145-L149 PolarHBondContact O-N 3.26Å
146	Y	97.9	Very high	94.1	Very high	20 Å²	20	38.7 Å²	38.7	8%	0.078	20%	0.197	C	C	.	.	H	α-helix	trans	-77.1	-25.8	-179.2	-65.5	-88.6	0	0	0	113.4	L60 R143 T144 L149 Q150 A165 T168 L200 E201	L60-Y146 HydrophobicContact CD1-CE1 4.03Å; L60-Y146 HydrophobicContact CD1-CE2 3.88Å; L60-Y146 HydrophobicContact CD2-CE2 3.62Å; L60-Y146 HydrophobicContact CG-CE2 4.43Å; R143-Y146 HydrophobicContact CB-CD2 3.94Å; R143-Y146 WeakPolarHBondContact O-CB 3.48Å; R143-Y146 WeakPolarHBondContact O-CD2 2.77Å; R143-Y146 PolarHBondContact O-N 3.04Å; T144-Y146 PolarHBondContact O-N 3.15Å; Y146-L149 HydrophobicContact CD1-CD1 4.35Å; Y146-L149 PolarHBondContact O-N 2.68Å; Y146-Q150 PolarHBondContact O-N 3.38Å; Y146-A165 WeakPolarHBondContact CB-O 3.37Å; Y146-A165 HydrophobicContact CD1-CB 4.11Å; Y146-T168 HydrophobicContact CD1-CG2 3.64Å; Y146-T168 HydrophobicContact CD2-CG2 3.71Å; Y146-T168 HydrophobicContact CE1-CG2 3.74Å; Y146-T168 HydrophobicContact CE2-CG2 3.82Å; Y146-T168 HydrophobicContact CG-CG2 3.62Å; Y146-L200 HydrophobicContact CD1-CD1 4.16Å; Y146-L200 HydrophobicContact CE1-CB 3.94Å; Y146-L200 HydrophobicContact CE1-CD1 3.77Å; Y146-L200 HydrophobicContact CE1-CG 4.49Å; Y146-E201 HydrophobicContact CE2-CG 3.99Å; Y146-E201 WeakPolarHBondContact CE2-OE1 3.5Å; Y146-E201 WeakPolarHBondContact OH-CG 3.48Å
147	N	95.6	Very high	94.1	Very high	42 Å²	42	42.8 Å²	42.8	23%	0.225	22%	0.219	C	C	.	.	H	α-helix	trans	-68.5	-38.7	172.6	-165.9	13.1	0	0	0	111.6	T144 Q150 F169 M179	T144-N147 WeakPolarHBondContact O-CB 3.43Å; T144-N147 PolarHBondContact O-N 2.81Å; N147-Q150 WeakPolarHBondContact O-CG 3.25Å; N147-F169 HydrophobicContact CB-CD1 4.01Å; N147-F169 HydrophobicContact CB-CD2 3.92Å; N147-F169 HydrophobicContact CB-CE1 3.93Å; N147-F169 HydrophobicContact CB-CE2 3.88Å; N147-F169 HydrophobicContact CB-CG 3.96Å; N147-F169 HydrophobicContact CB-CZ 3.87Å; N147-M179 HydrophobicContact CB-CE 4.4Å; N147-M179 WeakPolarHBondContact OD1-CE 3.31Å
148	Y	95.4	Very high	94.3	Very high	43 Å²	43	42.7 Å²	42.7	17%	0.169	22%	0.217	C	C	.	.	H	α-helix	trans	-68.8	-42.8	171	-69	-70.8	0	0	0	112.2	F37 V41 Y44 M56 T144 Q150 A152	F37-Y148 HydrophobicContact CE2-CE2 4.45Å; F37-Y148 HydrophobicContact CZ-CE2 4.29Å; V41-Y148 HydrophobicContact CG2-CD2 4.34Å; V41-Y148 HydrophobicContact CG2-CE1 4.44Å; V41-Y148 HydrophobicContact CG2-CE2 3.78Å; Y44-Y148 AromaticContact CD1-CD1 3.83Å; Y44-Y148 HydrophobicContact CD1-CD1 3.83Å; Y44-Y148 AromaticContact CD1-CE1 3.76Å; Y44-Y148 HydrophobicContact CD1-CE1 3.76Å; Y44-Y148 AromaticContact CD2-CD1 3.74Å; Y44-Y148 HydrophobicContact CD2-CD1 3.74Å; Y44-Y148 HydrophobicContact CD2-CE1 4.5Å; Y44-Y148 HydrophobicContact CE1-CD1 4.13Å; Y44-Y148 HydrophobicContact CE1-CE1 4.07Å; Y44-Y148 HydrophobicContact CE2-CD1 4.05Å; Y44-Y148 AromaticContact CG-CD1 3.62Å; Y44-Y148 HydrophobicContact CG-CD1 3.62Å; Y44-Y148 AromaticContact CG-CE1 3.99Å; Y44-Y148 HydrophobicContact CG-CE1 3.99Å; M56-Y148 HydrophobicContact CE-CD2 3.69Å; M56-Y148 HydrophobicContact CE-CG 3.95Å; T144-Y148 HydrophobicContact CG2-CD2 4.16Å; T144-Y148 HydrophobicContact CG2-CE2 3.77Å; T144-Y148 PolarHBondContact O-N 3.38Å; Y148-Q150 PolarHBondContact O-N 3.36Å; Y148-A152 PolarHBondContact O-N 2.74Å; Y148-A152 VanDerWaalsContact O-N 3.12Å
149	L	97.9	Very high	94.4	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-63	-40.8	179.2	-79	170.8	0	0	0	113	I53 M56 L60 P145 Y146 V151 A152 Y153 A165	I53-L149 HydrophobicContact CB-CD2 4.44Å; I53-L149 HydrophobicContact CG1-CD2 4.14Å; M56-L149 HydrophobicContact CB-CD1 4.44Å; M56-L149 HydrophobicContact CB-CD2 3.93Å; M56-L149 HydrophobicContact CB-CG 4.03Å; M56-L149 HydrophobicContact CG-CD1 4.08Å; M56-L149 HydrophobicContact CG-CD2 4.31Å; M56-L149 HydrophobicContact CG-CG 3.83Å; L60-L149 HydrophobicContact CD1-CD1 3.77Å; P145-L149 WeakPolarHBondContact O-CB 3.17Å; P145-L149 WeakPolarHBondContact O-CG 3.31Å; P145-L149 PolarHBondContact O-N 3.26Å; Y146-L149 HydrophobicContact CD1-CD1 4.35Å; Y146-L149 PolarHBondContact O-N 2.68Å; L149-V151 PolarHBondContact O-N 3.18Å; L149-A152 PolarHBondContact O-N 2.81Å; L149-Y153 HydrophobicContact CB-CD2 4.07Å; L149-Y153 HydrophobicContact CB-CE2 3.9Å; L149-Y153 HydrophobicContact CD2-CD2 4.49Å; L149-Y153 HydrophobicContact CD2-CE2 3.76Å; L149-Y153 HydrophobicContact CG-CE2 4.28Å; L149-Y153 WeakPolarHBondContact O-CB 3.43Å; L149-Y153 WeakPolarHBondContact O-CD2 3.35Å; L149-Y153 PolarHBondContact O-N 3.37Å; L149-A165 HydrophobicContact CB-CB 4.12Å
150	Q	95.5	Very high	94.5	Very high	4 Å²	4	40 Å²	40	2%	0.019	20%	0.204	C	C	.	.	H	α-helix	trans	-63.1	-42.5	-177.5	69.1	83.7	14.7	0	0	112.2	Y146 N147 Y148 F154 A162 A165 A166 M179 Y186	Y146-Q150 PolarHBondContact O-N 3.38Å; N147-Q150 WeakPolarHBondContact O-CG 3.25Å; Y148-Q150 PolarHBondContact O-N 3.36Å; Q150-F154 WeakPolarHBondContact O-CB 3.36Å; Q150-F154 PolarHBondContact O-N 2.71Å; Q150-A162 VanDerWaalsContact CB-O 3.27Å; Q150-A162 WeakPolarHBondContact CB-O 3.19Å; Q150-A165 HydrophobicContact CB-CB 3.86Å; Q150-A166 HydrophobicContact CB-CB 3.91Å; Q150-A166 HydrophobicContact CG-CB 4.03Å; Q150-M179 HydrophobicContact CG-CE 3.85Å; Q150-M179 HydrophobicContact CG-SD 4.46Å; Q150-Y186 PolarHBondContact OE1-OH 3.41Å
151	V	92.1	Very high	94.5	Very high	25 Å²	25	43.1 Å²	43.1	15%	0.152	22%	0.218	C	C	.	.	H	α-helix	trans	-62.9	-48.9	173.5	-178.8	0	0	0	0	110.8	Y44 W49 L149 Y153 F154 K155	Y44-V151 HydrophobicContact CE2-CB 3.91Å; Y44-V151 HydrophobicContact CE2-CG1 3.84Å; Y44-V151 HydrophobicContact CE2-CG2 4.39Å; W49-V151 HydrophobicContact CZ3-CG1 4.16Å; L149-V151 PolarHBondContact O-N 3.18Å; V151-Y153 VanDerWaalsContact C-N 3.33Å; V151-Y153 PolarHBondContact O-N 3.13Å; V151-F154 PolarHBondContact O-N 3.07Å; V151-K155 HydrophobicContact CG1-CG 4.16Å; V151-K155 WeakPolarHBondContact O-CG 3.24Å; V151-K155 PolarHBondContact O-N 3.11Å
152	A	94.1	Very high	94.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.8	-40.3	-178.2	0	0	0	0	0	112.4	W49 V52 I53 Y148 L149 K155 I156	W49-A152 HydrophobicContact CB-CB 4.25Å; W49-A152 HydrophobicContact CE3-CB 4.18Å; V52-A152 HydrophobicContact CB-CB 4.01Å; V52-A152 HydrophobicContact CG1-CB 3.72Å; I53-A152 HydrophobicContact CD1-CB 4.09Å; I53-A152 HydrophobicContact CG1-CB 3.8Å; Y148-A152 PolarHBondContact O-N 2.74Å; Y148-A152 VanDerWaalsContact O-N 3.12Å; L149-A152 PolarHBondContact O-N 2.81Å; A152-K155 PolarHBondContact O-N 2.79Å; A152-I156 PolarHBondContact O-N 3.44Å
153	Y	96.8	Very high	95	Very high	8 Å²	8	36.9 Å²	36.9	3%	0.031	18%	0.175	C	C	.	.	H	α-helix	trans	-66.6	-41	174.6	-74.9	-50.5	0	0	0	113	I53 E57 L149 V151 I156 N157 K158 K161	I53-Y153 HydrophobicContact CB-CE1 4.35Å; I53-Y153 HydrophobicContact CD1-CD1 3.48Å; I53-Y153 VanDerWaalsContact CD1-CD1 3.48Å; I53-Y153 HydrophobicContact CD1-CE1 3.56Å; I53-Y153 HydrophobicContact CD1-CG 4.27Å; I53-Y153 HydrophobicContact CG1-CD1 3.98Å; I53-Y153 HydrophobicContact CG1-CE1 3.72Å; I53-Y153 HydrophobicContact CG2-CE1 3.67Å; E57-Y153 WeakPolarHBondContact CG-OH 3.35Å; E57-Y153 PolarHBondContact OE1-OH 3.5Å; L149-Y153 HydrophobicContact CB-CD2 4.07Å; L149-Y153 HydrophobicContact CB-CE2 3.9Å; L149-Y153 HydrophobicContact CD2-CD2 4.49Å; L149-Y153 HydrophobicContact CD2-CE2 3.76Å; L149-Y153 HydrophobicContact CG-CE2 4.28Å; L149-Y153 WeakPolarHBondContact O-CB 3.43Å; L149-Y153 WeakPolarHBondContact O-CD2 3.35Å; L149-Y153 PolarHBondContact O-N 3.37Å; V151-Y153 VanDerWaalsContact C-N 3.33Å; V151-Y153 PolarHBondContact O-N 3.13Å; Y153-I156 HydrophobicContact CD1-CD1 4.45Å; Y153-I156 CarbonylContact O-C 3.55Å; Y153-I156 PolarHBondContact O-N 3.08Å; Y153-N157 PolarHBondContact O-N 3.29Å; Y153-N157 VanDerWaalsContact O-N 3.14Å; Y153-K158 HydrophobicContact CD1-CB 4.14Å; Y153-K158 HydrophobicContact CD1-CD 4.36Å; Y153-K158 PolarHBondContact O-N 2.84Å; Y153-K161 HydrophobicContact CD1-CB 3.79Å; Y153-K161 HydrophobicContact CD1-CD 3.95Å; Y153-K161 HydrophobicContact CD2-CB 3.58Å; Y153-K161 HydrophobicContact CD2-CD 4.44Å; Y153-K161 HydrophobicContact CE1-CB 4.02Å; Y153-K161 HydrophobicContact CE1-CD 3.36Å; Y153-K161 HydrophobicContact CE1-CG 4.34Å; Y153-K161 HydrophobicContact CE2-CB 3.81Å; Y153-K161 HydrophobicContact CE2-CD 3.91Å; Y153-K161 HydrophobicContact CG-CB 3.59Å; Y153-K161 HydrophobicContact CG-CD 4.47Å; Y153-K161 WeakPolarHBondContact OH-CD 3.47Å; Y153-K161 PolarHBondContact OH-NZ 2.8Å
154	F	93.2	Very high	95	Very high	71 Å²	71	36.1 Å²	36.1	31%	0.311	17%	0.172	S	C	.	.	H	α-helix	trans	-60.8	-45.2	174.4	-179.5	-109.9	0	0	0	111.5	Q150 V151 I156 N157 L159 A162 Y185 Y186 M189	Q150-F154 WeakPolarHBondContact O-CB 3.36Å; Q150-F154 PolarHBondContact O-N 2.71Å; V151-F154 PolarHBondContact O-N 3.07Å; F154-I156 PolarHBondContact O-N 3.45Å; F154-N157 PolarHBondContact O-N 3.33Å; F154-L159 HydrophobicContact CD2-CD2 3.67Å; F154-L159 HydrophobicContact CE2-CD2 4.03Å; F154-A162 HydrophobicContact CB-CB 4.19Å; F154-Y185 HydrophobicContact CE2-CE1 4.1Å; F154-Y185 HydrophobicContact CZ-CE1 4.05Å; F154-Y186 AromaticContact CD2-CE1 3.69Å; F154-Y186 HydrophobicContact CD2-CE1 3.69Å; F154-Y186 HydrophobicContact CE2-CE1 4.12Å; F154-Y186 HydrophobicContact CG-CE1 4.38Å; F154-M189 HydrophobicContact CE2-CE 4.23Å; F154-M189 HydrophobicContact CE2-SD 4.11Å
155	K	91	Very high	95.1	Very high	120 Å²	120	35.4 Å²	35.4	52%	0.522	17%	0.168	S	C	.	.	H	α-helix	trans	-62.5	-25.5	177.8	-65.2	-74.8	-178.6	-176	0	113.6	W49 V151 A152	W49-K155 HydrophobicContact CB-CB 4.43Å; W49-K155 HydrophobicContact CD2-CB 3.66Å; W49-K155 HydrophobicContact CD2-CG 3.76Å; W49-K155 HydrophobicContact CE3-CB 4.31Å; W49-K155 HydrophobicContact CE3-CG 4.07Å; W49-K155 HydrophobicContact CG-CB 3.66Å; W49-K155 HydrophobicContact CG-CG 4.32Å; W49-K155 HydrophobicContact CH2-CD 4.48Å; W49-K155 HydrophobicContact CH2-CG 4.2Å; W49-K155 HydrophobicContact CZ2-CB 4.5Å; W49-K155 HydrophobicContact CZ2-CD 3.96Å; W49-K155 HydrophobicContact CZ2-CG 3.89Å; W49-K155 HydrophobicContact CZ3-CG 4.27Å; V151-K155 HydrophobicContact CG1-CG 4.16Å; V151-K155 WeakPolarHBondContact O-CG 3.24Å; V151-K155 PolarHBondContact O-N 3.11Å; A152-K155 PolarHBondContact O-N 2.79Å
156	I	93.6	Very high	95	Very high	47 Å²	47	35.4 Å²	35.4	24%	0.241	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	17.1	172.2	71.7	159.7	0	0	0	114.2	W49 L50 I53 A152 Y153 F154 K158	W49-I156 HydrophobicContact CB-CG2 3.83Å; L50-I156 HydrophobicContact CD2-CD1 4.23Å; L50-I156 HydrophobicContact CD2-CG2 4.4Å; I53-I156 HydrophobicContact CD1-CD1 3.43Å; I53-I156 VanDerWaalsContact CD1-CD1 3.43Å; I53-I156 HydrophobicContact CD1-CG1 3.92Å; A152-I156 PolarHBondContact O-N 3.44Å; Y153-I156 HydrophobicContact CD1-CD1 4.45Å; Y153-I156 CarbonylContact O-C 3.55Å; Y153-I156 PolarHBondContact O-N 3.08Å; F154-I156 PolarHBondContact O-N 3.45Å; I156-K158 VanDerWaalsContact C-N 3.32Å; I156-K158 HydrophobicContact CD1-CD 3.77Å; I156-K158 HydrophobicContact CD1-CG 4.1Å; I156-K158 HydrophobicContact CG1-CB 4.46Å; I156-K158 HydrophobicContact CG1-CD 4.33Å; I156-K158 HydrophobicContact CG1-CG 4.13Å; I156-K158 PolarHBondContact O-N 3.03Å
157	N	92.3	Very high	94.9	Very high	106 Å²	106	36 Å²	36	57%	0.567	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	34.4	175.9	-162	20.6	0	0	0	114.9	Y153 F154	Y153-N157 PolarHBondContact O-N 3.29Å; Y153-N157 VanDerWaalsContact O-N 3.14Å; F154-N157 PolarHBondContact O-N 3.33Å
158	K	94.4	Very high	95	Very high	98 Å²	98	34 Å²	34	43%	0.426	16%	0.161	S	C	.	.			trans	-103.1	71.7	171.6	-67.2	-169.8	-175.5	175.7	0	110.3	Y153 I156 D160 K161 A162	Y153-K158 HydrophobicContact CD1-CB 4.14Å; Y153-K158 HydrophobicContact CD1-CD 4.36Å; Y153-K158 PolarHBondContact O-N 2.84Å; I156-K158 VanDerWaalsContact C-N 3.32Å; I156-K158 HydrophobicContact CD1-CD 3.77Å; I156-K158 HydrophobicContact CD1-CG 4.1Å; I156-K158 HydrophobicContact CG1-CB 4.46Å; I156-K158 HydrophobicContact CG1-CD 4.33Å; I156-K158 HydrophobicContact CG1-CG 4.13Å; I156-K158 PolarHBondContact O-N 3.03Å; K158-D160 VanDerWaalsContact C-N 3.3Å; K158-D160 PolarHBondContact O-N 2.81Å; K158-K161 HydrophobicContact CB-CB 4.43Å; K158-K161 PolarHBondContact O-N 3.04Å; K158-A162 PolarHBondContact O-N 3.48Å
159	L	92.4	Very high	95	Very high	11 Å²	11	32.1 Å²	32.1	6%	0.058	15%	0.154	C	C	.	.	H	α-helix	trans	-60.9	-38	-172.9	-58.2	177.8	0	0	0	112.4	F154 K161 A162 V163 M189 R191 V192	F154-L159 HydrophobicContact CD2-CD2 3.67Å; F154-L159 HydrophobicContact CE2-CD2 4.03Å; L159-K161 VanDerWaalsContact C-N 3.31Å; L159-K161 PolarHBondContact O-N 2.77Å; L159-A162 PolarHBondContact O-N 2.74Å; L159-A162 VanDerWaalsContact O-N 3.16Å; L159-V163 WeakPolarHBondContact O-CB 3.47Å; L159-V163 WeakPolarHBondContact O-CG2 3.45Å; L159-V163 PolarHBondContact O-N 3.33Å; L159-M189 HydrophobicContact CD1-CE 3.74Å; L159-M189 HydrophobicContact CD1-SD 4.36Å; L159-M189 HydrophobicContact CD2-CE 3.95Å; L159-M189 HydrophobicContact CD2-SD 4.1Å; L159-R191 HydrophobicContact CD1-CB 3.86Å; L159-V192 HydrophobicContact CB-CG2 4.2Å
160	D	94	Very high	94.9	Very high	73 Å²	73	32.9 Å²	32.9	39%	0.39	16%	0.159	S	C	.	.	H	α-helix	trans	-53	-45.2	174.9	69.4	-52.9	0	0	0	112.8	K158 A164	K158-D160 VanDerWaalsContact C-N 3.3Å; K158-D160 PolarHBondContact O-N 2.81Å; D160-A164 WeakPolarHBondContact O-CB 3.49Å; D160-A164 PolarHBondContact O-N 2.86Å
161	K	96	Very high	94.8	Very high	70 Å²	70	36.3 Å²	36.3	30%	0.304	18%	0.175	S	C	.	.	H	α-helix	trans	-80.4	-32.6	177.6	-74.1	-155.1	171.8	-168.2	0	112.6	E57 Y153 K158 L159 A165	E57-K161 IonicContact OE1-NZ 2.73Å; E57-K161 PolarHBondContact OE1-NZ 3.38Å; Y153-K161 HydrophobicContact CD1-CB 3.79Å; Y153-K161 HydrophobicContact CD1-CD 3.95Å; Y153-K161 HydrophobicContact CD2-CB 3.58Å; Y153-K161 HydrophobicContact CD2-CD 4.44Å; Y153-K161 HydrophobicContact CE1-CB 4.02Å; Y153-K161 HydrophobicContact CE1-CD 3.36Å; Y153-K161 HydrophobicContact CE1-CG 4.34Å; Y153-K161 HydrophobicContact CE2-CB 3.81Å; Y153-K161 HydrophobicContact CE2-CD 3.91Å; Y153-K161 HydrophobicContact CG-CB 3.59Å; Y153-K161 HydrophobicContact CG-CD 4.47Å; Y153-K161 WeakPolarHBondContact OH-CD 3.47Å; Y153-K161 PolarHBondContact OH-NZ 2.8Å; K158-K161 HydrophobicContact CB-CB 4.43Å; K158-K161 PolarHBondContact O-N 3.04Å; L159-K161 VanDerWaalsContact C-N 3.31Å; L159-K161 PolarHBondContact O-N 2.77Å; K161-A165 VanDerWaalsContact O-CB 3.31Å; K161-A165 WeakPolarHBondContact O-CB 3.38Å; K161-A165 PolarHBondContact O-N 3.28Å
162	A	95.4	Very high	94.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.9	-49	176.5	0	0	0	0	0	111.1	Q150 F154 K158 L159 A165 A166 Y186	Q150-A162 VanDerWaalsContact CB-O 3.27Å; Q150-A162 WeakPolarHBondContact CB-O 3.19Å; F154-A162 HydrophobicContact CB-CB 4.19Å; K158-A162 PolarHBondContact O-N 3.48Å; L159-A162 PolarHBondContact O-N 2.74Å; L159-A162 VanDerWaalsContact O-N 3.16Å; A162-A165 PolarHBondContact O-N 3.23Å; A162-A166 WeakPolarHBondContact O-CB 3.29Å; A162-A166 PolarHBondContact O-N 2.88Å; A162-Y186 HydrophobicContact CB-CE1 4.44Å
163	V	96.8	Very high	94.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.4	-48.1	178.7	177.5	0	0	0	0	111.1	L159 A165 A166 H167 Y186 V192 N196 F197	L159-V163 WeakPolarHBondContact O-CB 3.47Å; L159-V163 WeakPolarHBondContact O-CG2 3.45Å; L159-V163 PolarHBondContact O-N 3.33Å; V163-A165 VanDerWaalsContact C-N 3.31Å; V163-A165 PolarHBondContact O-N 3.32Å; V163-A166 PolarHBondContact O-N 2.85Å; V163-H167 VanDerWaalsContact O-CB 3.3Å; V163-H167 WeakPolarHBondContact O-CB 3.49Å; V163-H167 PolarHBondContact O-N 3.25Å; V163-Y186 HydrophobicContact CG2-CD1 4.21Å; V163-Y186 HydrophobicContact CG2-CD2 4.2Å; V163-Y186 HydrophobicContact CG2-CG 3.85Å; V163-V192 HydrophobicContact CG1-CG1 4.22Å; V163-V192 HydrophobicContact CG2-CB 4.39Å; V163-V192 HydrophobicContact CG2-CG1 3.66Å; V163-V192 HydrophobicContact CG2-CG2 3.75Å; V163-N196 HydrophobicContact CB-CB 3.98Å; V163-N196 HydrophobicContact CG1-CB 3.81Å; V163-F197 HydrophobicContact CG1-CB 4.45Å; V163-F197 HydrophobicContact CG1-CD1 3.56Å; V163-F197 HydrophobicContact CG1-CD2 3.75Å; V163-F197 HydrophobicContact CG1-CE1 3.58Å; V163-F197 HydrophobicContact CG1-CE2 3.78Å; V163-F197 HydrophobicContact CG1-CG 3.64Å; V163-F197 HydrophobicContact CG1-CZ 3.68Å
164	A	97.4	Very high	94	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-60.9	-39.3	178.7	0	0	0	0	0	112.2	D160 T168 N196 R198 L200	D160-A164 WeakPolarHBondContact O-CB 3.49Å; D160-A164 PolarHBondContact O-N 2.86Å; A164-T168 VanDerWaalsContact O-CB 3.31Å; A164-T168 WeakPolarHBondContact O-CB 3.29Å; A164-T168 PolarHBondContact O-N 2.91Å; A164-T168 PolarHBondContact O-OG1 3.45Å; A164-N196 WeakPolarHBondContact CA-O 2.96Å; A164-N196 PolarHBondContact N-O 3.39Å; A164-R198 HydrophobicContact CB-CG 3.88Å; A164-L200 HydrophobicContact CB-CD1 3.96Å; A164-L200 HydrophobicContact CB-CD2 4.19Å; A164-L200 HydrophobicContact CB-CG 4.13Å
165	A	97.5	Very high	93.5	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-70	-44.6	175.6	0	0	0	0	0	112.4	Y146 L149 Q150 K161 A162 V163 H167 T168 F169	Y146-A165 WeakPolarHBondContact CB-O 3.37Å; Y146-A165 HydrophobicContact CD1-CB 4.11Å; L149-A165 HydrophobicContact CB-CB 4.12Å; Q150-A165 HydrophobicContact CB-CB 3.86Å; K161-A165 VanDerWaalsContact O-CB 3.31Å; K161-A165 WeakPolarHBondContact O-CB 3.38Å; K161-A165 PolarHBondContact O-N 3.28Å; A162-A165 PolarHBondContact O-N 3.23Å; V163-A165 VanDerWaalsContact C-N 3.31Å; V163-A165 PolarHBondContact O-N 3.32Å; A165-H167 VanDerWaalsContact C-N 3.3Å; A165-H167 PolarHBondContact O-N 2.87Å; A165-T168 PolarHBondContact O-N 2.75Å; A165-F169 PolarHBondContact O-N 3.05Å
166	A	96.3	Very high	93.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.5	-44.4	175.7	0	0	0	0	0	111.7	Q150 A162 V163 F169 S170 M179 L183 Y186	Q150-A166 HydrophobicContact CB-CB 3.91Å; Q150-A166 HydrophobicContact CG-CB 4.03Å; A162-A166 WeakPolarHBondContact O-CB 3.29Å; A162-A166 PolarHBondContact O-N 2.88Å; V163-A166 PolarHBondContact O-N 2.85Å; A166-F169 PolarHBondContact O-N 3.25Å; A166-S170 PolarHBondContact O-N 3.04Å; A166-M179 HydrophobicContact CB-SD 3.56Å; A166-M179 VanDerWaalsContact CB-SD 3.56Å; A166-L183 HydrophobicContact CB-CD2 3.76Å; A166-L183 HydrophobicContact CB-CG 4.31Å; A166-Y186 HydrophobicContact CB-CD2 4.19Å; A166-Y186 HydrophobicContact CB-CE2 3.79Å
167	H	96.1	Very high	92.7	Very high	31 Å²	31	41.2 Å²	41.2	14%	0.144	21%	0.214	C	C	.	.	H	α-helix	trans	-66.4	-45.3	177.2	-177.3	-101.9	0	0	0	111.9	V163 A165 F169 S170 Q171 L183 F197 R198 D199	V163-H167 VanDerWaalsContact O-CB 3.3Å; V163-H167 WeakPolarHBondContact O-CB 3.49Å; V163-H167 PolarHBondContact O-N 3.25Å; A165-H167 VanDerWaalsContact C-N 3.3Å; A165-H167 PolarHBondContact O-N 2.87Å; H167-F169 VanDerWaalsContact C-N 3.25Å; H167-F169 PolarHBondContact O-N 3.18Å; H167-S170 WeakPolarHBondContact CA-OG 3.37Å; H167-S170 PolarHBondContact O-N 3.28Å; H167-S170 PolarHBondContact O-OG 2.93Å; H167-Q171 PolarHBondContact CE1-NE2 3.47Å; H167-Q171 VanDerWaalsContact CE1-NE2 3.33Å; H167-Q171 PolarHBondContact NE2-NE2 2.77Å; H167-Q171 WeakPolarHBondContact O-CG 3.37Å; H167-Q171 PolarHBondContact O-N 2.84Å; H167-L183 HydrophobicContact CB-CD2 4.21Å; H167-F197 PolarHBondContact CE1-O 3.49Å; H167-F197 VanDerWaalsContact CE1-O 3.25Å; H167-F197 PolarHBondContact ND1-O 2.95Å; H167-R198 PolarHBondContact ND1-O 3.38Å; H167-D199 PolarHBondContact ND1-N 3.3Å
168	T	96.6	Very high	92.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-54.8	-41.7	175.5	-60.7	0	0	0	0	111.9	R143 Y146 A164 A165 D199 L200 E201	R143-T168 WeakPolarHBondContact CD-O 3.28Å; R143-T168 PolarHBondContact NH1-O 2.98Å; Y146-T168 HydrophobicContact CD1-CG2 3.64Å; Y146-T168 HydrophobicContact CD2-CG2 3.71Å; Y146-T168 HydrophobicContact CE1-CG2 3.74Å; Y146-T168 HydrophobicContact CE2-CG2 3.82Å; Y146-T168 HydrophobicContact CG-CG2 3.62Å; A164-T168 VanDerWaalsContact O-CB 3.31Å; A164-T168 WeakPolarHBondContact O-CB 3.29Å; A164-T168 PolarHBondContact O-N 2.91Å; A164-T168 PolarHBondContact O-OG1 3.45Å; A165-T168 PolarHBondContact O-N 2.75Å; T168-D199 WeakPolarHBondContact CG2-OD1 3.38Å; T168-L200 HydrophobicContact CG2-CB 4.2Å; T168-L200 WeakPolarHBondContact OG1-CB 3.42Å; T168-L200 WeakPolarHBondContact OG1-CG 3.13Å; T168-L200 PolarHBondContact OG1-N 2.88Å; T168-E201 HydrophobicContact CG2-CB 4.5Å; T168-E201 HydrophobicContact CG2-CG 4.38Å
169	F	96.1	Very high	91.9	Very high	5 Å²	5	35.3 Å²	35.3	2%	0.022	19%	0.185	C	C	.	.	H	α-helix	trans	-71.1	-43.3	176.1	-179.7	-109.1	0	0	0	113.1	K142 R143 N147 A165 A166 H167 Q171 A172 N173 H176 M179	K142-F169 WeakPolarHBondContact O-CD2 3.42Å; K142-F169 WeakPolarHBondContact O-CE2 3.27Å; R143-F169 HydrophobicContact CB-CD2 4.45Å; R143-F169 WeakPolarHBondContact O-CD2 3.46Å; N147-F169 HydrophobicContact CB-CD1 4.01Å; N147-F169 HydrophobicContact CB-CD2 3.92Å; N147-F169 HydrophobicContact CB-CE1 3.93Å; N147-F169 HydrophobicContact CB-CE2 3.88Å; N147-F169 HydrophobicContact CB-CG 3.96Å; N147-F169 HydrophobicContact CB-CZ 3.87Å; A165-F169 PolarHBondContact O-N 3.05Å; A166-F169 PolarHBondContact O-N 3.25Å; H167-F169 VanDerWaalsContact C-N 3.25Å; H167-F169 PolarHBondContact O-N 3.18Å; F169-Q171 VanDerWaalsContact C-N 3.25Å; F169-Q171 PolarHBondContact O-N 2.87Å; F169-A172 PolarHBondContact O-N 2.99Å; F169-A172 VanDerWaalsContact O-N 3.09Å; F169-N173 VanDerWaalsContact CD2-ND2 3.29Å; F169-N173 WeakPolarHBondContact CD2-ND2 3.21Å; F169-N173 HydrophobicContact CE1-CB 4.35Å; F169-N173 WeakPolarHBondContact CE2-ND2 3.48Å; F169-N173 HydrophobicContact CZ-CB 4.31Å; F169-N173 PolarHBondContact O-N 3.33Å; F169-N173 PolarHBondContact O-ND2 3Å; F169-H176 AromaticContact CE1-CD2 3.26Å; F169-H176 WeakPolarHBondContact CE1-CD2 3.35Å; F169-H176 AromaticContact CE1-NE2 3.68Å; F169-H176 AromaticContact CZ-CD2 3.45Å; F169-H176 VanDerWaalsContact CZ-CD2 3.45Å; F169-H176 WeakPolarHBondContact CZ-CD2 3.36Å; F169-H176 AromaticContact CZ-NE2 3.81Å; F169-M179 HydrophobicContact CB-CE 4.43Å; F169-M179 HydrophobicContact CD1-CB 4.25Å; F169-M179 HydrophobicContact CD1-CE 3.36Å; F169-M179 HydrophobicContact CD1-CG 3.95Å; F169-M179 HydrophobicContact CD1-SD 4.41Å; F169-M179 HydrophobicContact CE1-CB 4.44Å; F169-M179 HydrophobicContact CE1-CE 3.91Å; F169-M179 HydrophobicContact CG-CE 4.24Å
170	S	94.6	Very high	91.5	Very high	20 Å²	20	39.1 Å²	39.1	14%	0.14	20%	0.201	C	C	.	.	H	α-helix	trans	-64.2	-29.8	179.1	65	0	0	0	0	113.2	A166 H167 A172 N173 P174 L183	A166-S170 PolarHBondContact O-N 3.04Å; H167-S170 WeakPolarHBondContact CA-OG 3.37Å; H167-S170 PolarHBondContact O-N 3.28Å; H167-S170 PolarHBondContact O-OG 2.93Å; S170-A172 VanDerWaalsContact C-N 3.25Å; S170-A172 PolarHBondContact O-N 3.47Å; S170-N173 CarbonylContact O-C 3.52Å; S170-N173 VanDerWaalsContact O-C 3.23Å; S170-N173 PolarHBondContact O-N 3.04Å; S170-P174 WeakPolarHBondContact O-CA 3.41Å; S170-L183 VanDerWaalsContact OG-CD1 3.27Å; S170-L183 WeakPolarHBondContact OG-CD1 3.45Å
171	Q	93.3	Very high	90.9	Very high	75 Å²	75	42 Å²	42	35%	0.35	21%	0.212	S	C	.	.	H	α-helix	trans	-61.5	-32.6	173.9	-70.9	-63.9	-29.6	0	0	112.1	H167 F169 D199 A290 G291	H167-Q171 PolarHBondContact CE1-NE2 3.47Å; H167-Q171 VanDerWaalsContact CE1-NE2 3.33Å; H167-Q171 PolarHBondContact NE2-NE2 2.77Å; H167-Q171 WeakPolarHBondContact O-CG 3.37Å; H167-Q171 PolarHBondContact O-N 2.84Å; F169-Q171 VanDerWaalsContact C-N 3.25Å; F169-Q171 PolarHBondContact O-N 2.87Å; Q171-D199 HydrophobicContact CG-CB 4.26Å; Q171-A290 HydrophobicContact CB-CB 4.34Å; Q171-A290 CarbonylContact O-C 3.55Å; Q171-A290 WeakPolarHBondContact O-CB 3.23Å; Q171-G291 WeakPolarHBondContact O-CA 3.25Å; Q171-G291 PolarHBondContact O-N 3.14Å
172	A	90.8	Very high	90.3	Very high	23 Å²	23	41.3 Å²	41.3	19%	0.19	21%	0.212	C	C	.	.	H	α-helix	trans	-88.5	-22.8	173.4	0	0	0	0	0	113.7	R143 F169 S170 P174 A290	R143-A172 HydrophobicContact CB-CB 4.19Å; R143-A172 HydrophobicContact CG-CB 3.9Å; F169-A172 PolarHBondContact O-N 2.99Å; F169-A172 VanDerWaalsContact O-N 3.09Å; S170-A172 VanDerWaalsContact C-N 3.25Å; S170-A172 PolarHBondContact O-N 3.47Å; A172-P174 VanDerWaalsContact C-CD 3.48Å; A172-P174 WeakPolarHBondContact O-CD 3.4Å; A172-A290 HydrophobicContact CB-CB 4.48Å
173	N	90.1	Very high	90	Very high	35 Å²	35	41.8 Å²	41.8	19%	0.187	21%	0.214	C	C	.	.			trans	-125.5	66.9	-175.2	-53.7	-96.7	0	0	0	110	K142 F169 S170 D175 H176	K142-N173 PolarHBondContact O-ND2 3.29Å; F169-N173 VanDerWaalsContact CD2-ND2 3.29Å; F169-N173 WeakPolarHBondContact CD2-ND2 3.21Å; F169-N173 HydrophobicContact CE1-CB 4.35Å; F169-N173 WeakPolarHBondContact CE2-ND2 3.48Å; F169-N173 HydrophobicContact CZ-CB 4.31Å; F169-N173 PolarHBondContact O-N 3.33Å; F169-N173 PolarHBondContact O-ND2 3Å; S170-N173 CarbonylContact O-C 3.52Å; S170-N173 VanDerWaalsContact O-C 3.23Å; S170-N173 PolarHBondContact O-N 3.04Å; N173-D175 PolarHBondContact O-N 2.97Å; N173-H176 HydrophobicContact CB-CB 4.04Å; N173-H176 PolarHBondContact O-N 3.29Å
174	P	86.1	Confident	89.6	Confident	58 Å²	58	46.4 Å²	46.4	38%	0.377	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-11.4	-169.4	29.9	-39.4	0	0	0	113.6	S170 A172 K180	S170-P174 WeakPolarHBondContact O-CA 3.41Å; A172-P174 VanDerWaalsContact C-CD 3.48Å; A172-P174 WeakPolarHBondContact O-CD 3.4Å; P174-K180 WeakPolarHBondContact O-CE 3.46Å; P174-K180 PolarHBondContact O-NZ 3.45Å
175	D	83.8	Confident	89	Confident	120 Å²	120	52 Å²	52	64%	0.642	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	4.1	178.9	-73.2	-48.7	0	0	0	116.4	N173 L177 K180	N173-D175 PolarHBondContact O-N 2.97Å; D175-L177 PolarHBondContact O-N 3.48Å; D175-K180 IonicContact OD1-NZ 3.64Å; D175-K180 PolarHBondContact OD1-NZ 2.95Å
176	H	84.2	Confident	88.6	Confident	61 Å²	61	52.2 Å²	52.2	28%	0.282	26%	0.258	S	S	.	.			trans	-69	103.9	175.5	-159.6	-37.8	0	0	0	110.9	F169 N173 E178 M179 K180	F169-H176 AromaticContact CE1-CD2 3.26Å; F169-H176 WeakPolarHBondContact CE1-CD2 3.35Å; F169-H176 AromaticContact CE1-NE2 3.68Å; F169-H176 AromaticContact CZ-CD2 3.45Å; F169-H176 VanDerWaalsContact CZ-CD2 3.45Å; F169-H176 WeakPolarHBondContact CZ-CD2 3.36Å; F169-H176 AromaticContact CZ-NE2 3.81Å; N173-H176 HydrophobicContact CB-CB 4.04Å; N173-H176 PolarHBondContact O-N 3.29Å; H176-E178 IonicContact CE1-OE2 3.14Å; H176-E178 PolarHBondContact CE1-OE2 2.94Å; H176-E178 IonicContact CG-OE2 3.15Å; H176-E178 IonicContact ND1-OE2 3.39Å; H176-E178 PolarHBondContact ND1-OE2 2.9Å; H176-E178 PolarHBondContact O-N 3.4Å; H176-M179 HydrophobicContact CB-CB 4.21Å; H176-M179 PolarHBondContact O-N 3.25Å; H176-M179 VanDerWaalsContact O-N 3.11Å; H176-K180 PolarHBondContact O-N 3.33Å
177	L	83.1	Confident	88.3	Confident	78 Å²	78	58.1 Å²	58.1	41%	0.408	28%	0.28	S	S	.	.	H	α-helix	trans	-63.7	-41.2	-168.5	-61.1	-179.9	0	0	0	112.8	D175 M179 K180 Q181 P606	D175-L177 PolarHBondContact O-N 3.48Å; L177-M179 VanDerWaalsContact C-N 3.28Å; L177-M179 PolarHBondContact O-N 2.9Å; L177-K180 HydrophobicContact CD2-CD 4.42Å; L177-K180 WeakPolarHBondContact O-CB 3.23Å; L177-K180 PolarHBondContact O-N 3.09Å; L177-Q181 WeakPolarHBondContact O-CG 3.34Å; L177-Q181 PolarHBondContact O-N 2.96Å; L177-P606 HydrophobicContact CD1-CB 3.95Å; L177-P606 HydrophobicContact CD1-CG 3.71Å
178	E	80.9	Confident	87.9	Confident	79 Å²	79	63.6 Å²	63.6	37%	0.369	31%	0.308	S	S	.	.	H	α-helix	trans	-61.8	-37.1	176.1	-57.4	78	-177.8	0	0	110.9	H176 Q181 N182	H176-E178 IonicContact CE1-OE2 3.14Å; H176-E178 PolarHBondContact CE1-OE2 2.94Å; H176-E178 IonicContact CG-OE2 3.15Å; H176-E178 IonicContact ND1-OE2 3.39Å; H176-E178 PolarHBondContact ND1-OE2 2.9Å; H176-E178 PolarHBondContact O-N 3.4Å; E178-Q181 PolarHBondContact O-N 3.31Å; E178-N182 WeakPolarHBondContact O-CB 3.42Å; E178-N182 PolarHBondContact O-N 3.33Å; E178-N182 PolarHBondContact O-ND2 3.26Å
179	M	87.8	Confident	87.4	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-73.5	-36.5	176.1	-164.3	58	69.9	0	0	112.1	N147 Q150 A166 F169 H176 L177 Q181 N182 L183	N147-M179 HydrophobicContact CB-CE 4.4Å; N147-M179 WeakPolarHBondContact OD1-CE 3.31Å; Q150-M179 HydrophobicContact CG-CE 3.85Å; Q150-M179 HydrophobicContact CG-SD 4.46Å; A166-M179 HydrophobicContact CB-SD 3.56Å; A166-M179 VanDerWaalsContact CB-SD 3.56Å; F169-M179 HydrophobicContact CB-CE 4.43Å; F169-M179 HydrophobicContact CD1-CB 4.25Å; F169-M179 HydrophobicContact CD1-CE 3.36Å; F169-M179 HydrophobicContact CD1-CG 3.95Å; F169-M179 HydrophobicContact CD1-SD 4.41Å; F169-M179 HydrophobicContact CE1-CB 4.44Å; F169-M179 HydrophobicContact CE1-CE 3.91Å; F169-M179 HydrophobicContact CG-CE 4.24Å; H176-M179 HydrophobicContact CB-CB 4.21Å; H176-M179 PolarHBondContact O-N 3.25Å; H176-M179 VanDerWaalsContact O-N 3.11Å; L177-M179 VanDerWaalsContact C-N 3.28Å; L177-M179 PolarHBondContact O-N 2.9Å; M179-Q181 VanDerWaalsContact C-N 3.29Å; M179-Q181 PolarHBondContact O-N 3.35Å; M179-N182 PolarHBondContact O-N 3Å; M179-N182 HydrophobicContact SD-CB 4.08Å; M179-L183 HydrophobicContact CG-CD1 4.11Å; M179-L183 HydrophobicContact CG-CG 4.45Å; M179-L183 WeakPolarHBondContact O-CB 3.37Å; M179-L183 VanDerWaalsContact O-CG 3.32Å; M179-L183 WeakPolarHBondContact O-CG 3.38Å; M179-L183 PolarHBondContact O-N 2.99Å
180	K	84.8	Confident	86.8	Confident	91 Å²	91	71 Å²	71	40%	0.396	36%	0.363	S	S	.	.	H	α-helix	trans	-56.8	-44.7	169.9	-67	176.4	-178.2	173.7	0	110.7	P174 D175 H176 L177 E184	P174-K180 WeakPolarHBondContact O-CE 3.46Å; P174-K180 PolarHBondContact O-NZ 3.45Å; D175-K180 IonicContact OD1-NZ 3.64Å; D175-K180 PolarHBondContact OD1-NZ 2.95Å; H176-K180 PolarHBondContact O-N 3.33Å; L177-K180 HydrophobicContact CD2-CD 4.42Å; L177-K180 WeakPolarHBondContact O-CB 3.23Å; L177-K180 PolarHBondContact O-N 3.09Å; K180-E184 PolarHBondContact O-N 3.18Å; K180-E184 VanDerWaalsContact O-N 3.09Å
181	Q	81.4	Confident	86.2	Confident	134 Å²	134	79 Å²	79	63%	0.626	39%	0.39	S	S	*	.	H	α-helix	trans	-65.7	-44.6	176.9	-69.6	172.8	0.9	0	0	112.7	L177 E178 M179 L183 E184 Y185	L177-Q181 WeakPolarHBondContact O-CG 3.34Å; L177-Q181 PolarHBondContact O-N 2.96Å; E178-Q181 PolarHBondContact O-N 3.31Å; M179-Q181 VanDerWaalsContact C-N 3.29Å; M179-Q181 PolarHBondContact O-N 3.35Å; Q181-L183 VanDerWaalsContact C-N 3.34Å; Q181-L183 PolarHBondContact O-N 3.36Å; Q181-E184 PolarHBondContact O-N 3.34Å; Q181-Y185 WeakPolarHBondContact O-CB 3.39Å; Q181-Y185 PolarHBondContact O-N 2.86Å
182	N	83.8	Confident	86	Confident	55 Å²	55	76.5 Å²	76.5	29%	0.294	38%	0.379	S	S	.	.	H	α-helix	trans	-60.2	-43.3	176.7	-70.7	-27.1	0	0	0	111.7	E178 M179 Y185 Y186	E178-N182 WeakPolarHBondContact O-CB 3.42Å; E178-N182 PolarHBondContact O-N 3.33Å; E178-N182 PolarHBondContact O-ND2 3.26Å; M179-N182 PolarHBondContact O-N 3Å; M179-N182 HydrophobicContact SD-CB 4.08Å; N182-Y185 PolarHBondContact O-N 2.96Å; N182-Y186 HydrophobicContact CB-CE2 4.27Å; N182-Y186 WeakPolarHBondContact O-CD2 3.32Å; N182-Y186 VanDerWaalsContact O-CG 3.27Å; N182-Y186 PolarHBondContact O-N 3.4Å
183	L	88.8	Confident	86	Confident	10 Å²	10	81.6 Å²	81.6	5%	0.052	40%	0.399	C	S	.	.	H	α-helix	trans	-65.8	-40.5	178	-72.7	165.7	0	0	0	112.5	A166 H167 S170 M179 Q181 Y186 R187 F197	A166-L183 HydrophobicContact CB-CD2 3.76Å; A166-L183 HydrophobicContact CB-CG 4.31Å; H167-L183 HydrophobicContact CB-CD2 4.21Å; S170-L183 VanDerWaalsContact OG-CD1 3.27Å; S170-L183 WeakPolarHBondContact OG-CD1 3.45Å; M179-L183 HydrophobicContact CG-CD1 4.11Å; M179-L183 HydrophobicContact CG-CG 4.45Å; M179-L183 WeakPolarHBondContact O-CB 3.37Å; M179-L183 VanDerWaalsContact O-CG 3.32Å; M179-L183 WeakPolarHBondContact O-CG 3.38Å; M179-L183 PolarHBondContact O-N 2.99Å; Q181-L183 VanDerWaalsContact C-N 3.34Å; Q181-L183 PolarHBondContact O-N 3.36Å; L183-Y186 PolarHBondContact O-N 3.22Å; L183-R187 WeakPolarHBondContact O-CG 3.21Å; L183-R187 PolarHBondContact O-N 3.03Å; L183-F197 HydrophobicContact CB-CE1 4.47Å; L183-F197 HydrophobicContact CD2-CD1 3.91Å; L183-F197 HydrophobicContact CD2-CE1 3.69Å
184	E	88.8	Confident	85.9	Confident	96 Å²	96	86.6 Å²	86.6	45%	0.449	42%	0.422	S	S	.	.	H	α-helix	trans	-68.2	-38.5	175.8	-165.3	62.1	-165.7	0	0	112	K180 Q181 Y186 R187 M188	K180-E184 PolarHBondContact O-N 3.18Å; K180-E184 VanDerWaalsContact O-N 3.09Å; Q181-E184 PolarHBondContact O-N 3.34Å; E184-Y186 VanDerWaalsContact C-N 3.34Å; E184-Y186 PolarHBondContact O-N 3.06Å; E184-R187 PolarHBondContact O-N 3.25Å; E184-R187 WeakPolarHBondContact OE2-CD 3.43Å; E184-R187 IonicContact OE2-CZ 3.5Å; E184-R187 IonicContact OE2-NH1 2.74Å; E184-R187 PolarHBondContact OE2-NH1 3Å; E184-M188 PolarHBondContact O-N 3.41Å
185	Y	84.9	Confident	86.2	Confident	118 Å²	118	91.8 Å²	91.8	46%	0.463	44%	0.441	S	S	.	.	H	α-helix	trans	-59.2	-44.8	170.3	176.5	-97.5	0	0	0	111.4	F154 Q181 N182 R187 M188 M189	F154-Y185 HydrophobicContact CE2-CE1 4.1Å; F154-Y185 HydrophobicContact CZ-CE1 4.05Å; Q181-Y185 WeakPolarHBondContact O-CB 3.39Å; Q181-Y185 PolarHBondContact O-N 2.86Å; N182-Y185 PolarHBondContact O-N 2.96Å; Y185-R187 PolarHBondContact O-N 2.84Å; Y185-M188 PolarHBondContact O-N 2.97Å; Y185-M189 HydrophobicContact CD1-SD 4.25Å; Y185-M189 HydrophobicContact CE1-CG 4.19Å; Y185-M189 HydrophobicContact CE1-SD 3.67Å
186	Y	88.3	Confident	86.6	Confident	7 Å²	7	87.2 Å²	87.2	3%	0.027	42%	0.416	C	S	.	.	H	α-helix	trans	-61.8	-39.6	176	-70.2	-43.4	0	0	0	112.9	Q150 F154 A162 V163 A166 N182 L183 E184 M188 M189 V192	Q150-Y186 PolarHBondContact OE1-OH 3.41Å; F154-Y186 AromaticContact CD2-CE1 3.69Å; F154-Y186 HydrophobicContact CD2-CE1 3.69Å; F154-Y186 HydrophobicContact CE2-CE1 4.12Å; F154-Y186 HydrophobicContact CG-CE1 4.38Å; A162-Y186 HydrophobicContact CB-CE1 4.44Å; V163-Y186 HydrophobicContact CG2-CD1 4.21Å; V163-Y186 HydrophobicContact CG2-CD2 4.2Å; V163-Y186 HydrophobicContact CG2-CG 3.85Å; A166-Y186 HydrophobicContact CB-CD2 4.19Å; A166-Y186 HydrophobicContact CB-CE2 3.79Å; N182-Y186 HydrophobicContact CB-CE2 4.27Å; N182-Y186 WeakPolarHBondContact O-CD2 3.32Å; N182-Y186 VanDerWaalsContact O-CG 3.27Å; N182-Y186 PolarHBondContact O-N 3.4Å; L183-Y186 PolarHBondContact O-N 3.22Å; E184-Y186 VanDerWaalsContact C-N 3.34Å; E184-Y186 PolarHBondContact O-N 3.06Å; Y186-M188 PolarHBondContact O-N 2.9Å; Y186-M189 HydrophobicContact CD1-SD 3.94Å; Y186-M189 HydrophobicContact CE1-SD 4.48Å; Y186-M189 WeakPolarHBondContact O-CB 3.27Å; Y186-M189 PolarHBondContact O-N 3.02Å; Y186-V192 WeakPolarHBondContact O-CB 3.49Å
187	R	90.2	Very high	87.1	Confident	123 Å²	123	85.4 Å²	85.4	46%	0.464	41%	0.408	S	S	.	.	H	α-helix	trans	-59	-30.4	174.7	-72.9	-177.3	-173.7	111.5	7.1	113.4	L183 E184 Y185 M189 F197	L183-R187 WeakPolarHBondContact O-CG 3.21Å; L183-R187 PolarHBondContact O-N 3.03Å; E184-R187 PolarHBondContact O-N 3.25Å; E184-R187 WeakPolarHBondContact OE2-CD 3.43Å; E184-R187 IonicContact OE2-CZ 3.5Å; E184-R187 IonicContact OE2-NH1 2.74Å; E184-R187 PolarHBondContact OE2-NH1 3Å; Y185-R187 PolarHBondContact O-N 2.84Å; R187-M189 VanDerWaalsContact C-N 3.34Å; R187-F197 HydrophobicContact CB-CZ 4.44Å; R187-F197 HydrophobicContact CG-CE1 4.1Å; R187-F197 HydrophobicContact CG-CE2 4.08Å; R187-F197 HydrophobicContact CG-CZ 3.46Å; R187-F197 VanDerWaalsContact CG-CZ 3.46Å
188	M	88.2	Confident	87.6	Confident	147 Å²	147	88.1 Å²	88.1	72%	0.724	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-3.6	177.7	-64.3	-160.8	-62	0	0	114	E184 Y185 Y186	E184-M188 PolarHBondContact O-N 3.41Å; Y185-M188 PolarHBondContact O-N 2.97Å; Y186-M188 PolarHBondContact O-N 2.9Å
189	M	86.6	Confident	88.3	Confident	46 Å²	46	86.2 Å²	86.2	23%	0.227	41%	0.405	C	S	.	.	S	Bend	trans	-83.5	120.3	178.2	-63.7	-168.3	75.5	0	0	111.5	F154 L159 Y185 Y186 R187 R191 V192	F154-M189 HydrophobicContact CE2-CE 4.23Å; F154-M189 HydrophobicContact CE2-SD 4.11Å; L159-M189 HydrophobicContact CD1-CE 3.74Å; L159-M189 HydrophobicContact CD1-SD 4.36Å; L159-M189 HydrophobicContact CD2-CE 3.95Å; L159-M189 HydrophobicContact CD2-SD 4.1Å; Y185-M189 HydrophobicContact CD1-SD 4.25Å; Y185-M189 HydrophobicContact CE1-CG 4.19Å; Y185-M189 HydrophobicContact CE1-SD 3.67Å; Y186-M189 HydrophobicContact CD1-SD 3.94Å; Y186-M189 HydrophobicContact CE1-SD 4.48Å; Y186-M189 WeakPolarHBondContact O-CB 3.27Å; Y186-M189 PolarHBondContact O-N 3.02Å; R187-M189 VanDerWaalsContact C-N 3.34Å; M189-R191 PolarHBondContact O-N 2.79Å; M189-V192 HydrophobicContact CB-CB 4.46Å; M189-V192 HydrophobicContact CB-CG2 3.9Å; M189-V192 PolarHBondContact O-N 3Å
190	A	81.8	Confident	88.6	Confident	114 Å²	114	90 Å²	90	94%	0.942	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	23.4	179.4	0	0	0	0	0	116.2
191	R	82.3	Confident	89.1	Confident	188 Å²	188	89 Å²	89	71%	0.709	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.3	13.1	172.8	-68.4	-172.5	179	-171.1	-0.3	112.2	L159 M189	L159-R191 HydrophobicContact CD1-CB 3.86Å; M189-R191 PolarHBondContact O-N 2.79Å
192	V	89.1	Confident	89.7	Confident	22 Å²	22	85 Å²	85	13%	0.133	41%	0.411	C	S	.	.			trans	-113.6	132.8	175.9	174.7	0	0	0	0	107.5	L159 V163 Y186 M189 N196 F197	L159-V192 HydrophobicContact CB-CG2 4.2Å; V163-V192 HydrophobicContact CG1-CG1 4.22Å; V163-V192 HydrophobicContact CG2-CB 4.39Å; V163-V192 HydrophobicContact CG2-CG1 3.66Å; V163-V192 HydrophobicContact CG2-CG2 3.75Å; Y186-V192 WeakPolarHBondContact O-CB 3.49Å; M189-V192 HydrophobicContact CB-CB 4.46Å; M189-V192 HydrophobicContact CB-CG2 3.9Å; M189-V192 PolarHBondContact O-N 3Å; V192-N196 WeakPolarHBondContact CA-OD1 3.32Å; V192-N196 HydrophobicContact CG1-CB 4.43Å; V192-F197 HydrophobicContact CG1-CD2 4.46Å; V192-F197 HydrophobicContact CG1-CE2 3.55Å; V192-F197 HydrophobicContact CG1-CZ 3.97Å
193	E	91.4	Very high	90.2	Very high	130 Å²	130	85.7 Å²	85.7	61%	0.607	41%	0.412	S	S	*	.			trans	-115.6	154.9	178.4	-65.5	171.8	154.2	0	0	109.1	E195 N196	E193-E195 PolarHBondContact O-N 3.03Å; E193-E195 VanDerWaalsContact O-N 3.14Å; E193-N196 PolarHBondContact N-OD1 3.02Å; E193-N196 WeakPolarHBondContact O-CB 3.44Å; E193-N196 VanDerWaalsContact O-CG 3.25Å; E193-N196 PolarHBondContact O-N 3.06Å
194	E	88.7	Confident	90.6	Very high	140 Å²	140	88.6 Å²	88.6	65%	0.654	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-57.7	-32.8	-178.3	-163.8	65.6	-167.4	0	0	111.7	N196 F197	E194-N196 PolarHBondContact O-N 2.84Å; E194-F197 PolarHBondContact O-N 3.36Å
195	E	91.3	Very high	91	Very high	168 Å²	168	84.2 Å²	84.2	79%	0.785	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-60.3	-13.8	174.4	-58.4	-175.8	-161.1	0	0	114.1	E193	E193-E195 PolarHBondContact O-N 3.03Å; E193-E195 VanDerWaalsContact O-N 3.14Å
196	N	92.7	Very high	91.5	Very high	23 Å²	23	79.2 Å²	79.2	12%	0.123	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-81.3	-23	175.4	-52.2	168.1	0	0	0	112	V163 A164 V192 E193 E194 R198	V163-N196 HydrophobicContact CB-CB 3.98Å; V163-N196 HydrophobicContact CG1-CB 3.81Å; A164-N196 WeakPolarHBondContact CA-O 2.96Å; A164-N196 PolarHBondContact N-O 3.39Å; V192-N196 WeakPolarHBondContact CA-OD1 3.32Å; V192-N196 HydrophobicContact CG1-CB 4.43Å; E193-N196 PolarHBondContact N-OD1 3.02Å; E193-N196 WeakPolarHBondContact O-CB 3.44Å; E193-N196 VanDerWaalsContact O-CG 3.25Å; E193-N196 PolarHBondContact O-N 3.06Å; E194-N196 PolarHBondContact O-N 2.84Å; N196-R198 PolarHBondContact O-N 3.05Å
197	F	94.2	Very high	91.8	Very high	23 Å²	23	81 Å²	81	10%	0.101	41%	0.408	C	S	.	.			trans	-81.2	57.7	179.9	-65.6	-93.9	0	0	0	112	V163 H167 L183 R187 V192 E194	V163-F197 HydrophobicContact CG1-CB 4.45Å; V163-F197 HydrophobicContact CG1-CD1 3.56Å; V163-F197 HydrophobicContact CG1-CD2 3.75Å; V163-F197 HydrophobicContact CG1-CE1 3.58Å; V163-F197 HydrophobicContact CG1-CE2 3.78Å; V163-F197 HydrophobicContact CG1-CG 3.64Å; V163-F197 HydrophobicContact CG1-CZ 3.68Å; H167-F197 PolarHBondContact CE1-O 3.49Å; H167-F197 VanDerWaalsContact CE1-O 3.25Å; H167-F197 PolarHBondContact ND1-O 2.95Å; L183-F197 HydrophobicContact CB-CE1 4.47Å; L183-F197 HydrophobicContact CD2-CD1 3.91Å; L183-F197 HydrophobicContact CD2-CE1 3.69Å; R187-F197 HydrophobicContact CB-CZ 4.44Å; R187-F197 HydrophobicContact CG-CE1 4.1Å; R187-F197 HydrophobicContact CG-CE2 4.08Å; R187-F197 HydrophobicContact CG-CZ 3.46Å; R187-F197 VanDerWaalsContact CG-CZ 3.46Å; V192-F197 HydrophobicContact CG1-CD2 4.46Å; V192-F197 HydrophobicContact CG1-CE2 3.55Å; V192-F197 HydrophobicContact CG1-CZ 3.97Å; E194-F197 PolarHBondContact O-N 3.36Å
198	R	93.6	Very high	92.1	Very high	136 Å²	136	77.2 Å²	77.2	51%	0.513	40%	0.395	S	S	.	.			trans	-100	143.7	177.2	60.7	-176.2	170.9	-173.9	-7.2	111.8	A164 H167 N196 L200	A164-R198 HydrophobicContact CB-CG 3.88Å; H167-R198 PolarHBondContact ND1-O 3.38Å; N196-R198 PolarHBondContact O-N 3.05Å; R198-L200 HydrophobicContact CG-CD2 4.17Å
199	D	94.8	Very high	92.5	Very high	39 Å²	39	70.2 Å²	70.2	21%	0.209	36%	0.361	C	S	.	.			trans	-81.4	121.1	166.7	-176.6	1.1	0	0	0	109.1	R143 H167 T168 Q171 E201 A202	R143-D199 IonicContact CZ-OD1 3.9Å; R143-D199 IonicContact CZ-OD2 3.15Å; R143-D199 VanDerWaalsContact CZ-OD2 3.31Å; R143-D199 IonicContact NH1-OD1 3.55Å; R143-D199 PolarHBondContact NH1-OD1 3.24Å; R143-D199 IonicContact NH1-OD2 2.77Å; R143-D199 PolarHBondContact NH1-OD2 2.94Å; R143-D199 IonicContact NH2-OD1 2.98Å; R143-D199 PolarHBondContact NH2-OD1 2.98Å; R143-D199 IonicContact NH2-OD2 3.6Å; R143-D199 PolarHBondContact NH2-OD2 3.48Å; H167-D199 PolarHBondContact ND1-N 3.3Å; T168-D199 WeakPolarHBondContact CG2-OD1 3.38Å; Q171-D199 HydrophobicContact CG-CB 4.26Å; D199-E201 VanDerWaalsContact C-N 3.29Å; D199-E201 PolarHBondContact OD1-N 2.86Å; D199-A202 HydrophobicContact CB-CB 4.16Å
200	L	95.7	Very high	92.9	Very high	81 Å²	81	72 Å²	72	42%	0.424	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-9	-179.8	-60.9	171.9	0	0	0	112.9	Y146 A164 T168 R198	Y146-L200 HydrophobicContact CD1-CD1 4.16Å; Y146-L200 HydrophobicContact CE1-CB 3.94Å; Y146-L200 HydrophobicContact CE1-CD1 3.77Å; Y146-L200 HydrophobicContact CE1-CG 4.49Å; A164-L200 HydrophobicContact CB-CD1 3.96Å; A164-L200 HydrophobicContact CB-CD2 4.19Å; A164-L200 HydrophobicContact CB-CG 4.13Å; T168-L200 HydrophobicContact CG2-CB 4.2Å; T168-L200 WeakPolarHBondContact OG1-CB 3.42Å; T168-L200 WeakPolarHBondContact OG1-CG 3.13Å; T168-L200 PolarHBondContact OG1-N 2.88Å; R198-L200 HydrophobicContact CG-CD2 4.17Å
201	E	94.8	Very high	93.5	Very high	69 Å²	69	69.9 Å²	69.9	32%	0.322	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	28.5	174.3	-67.4	-167.3	160.8	0	0	112.2	R143 Y146 T168 D199 K203	R143-E201 WeakPolarHBondContact CD-OE2 2.71Å; R143-E201 WeakPolarHBondContact CG-OE2 3.27Å; R143-E201 IonicContact CZ-OE2 3.73Å; R143-E201 IonicContact NE-OE2 3.4Å; R143-E201 PolarHBondContact NE-OE2 3.36Å; R143-E201 VanDerWaalsContact NH2-CB 3.33Å; R143-E201 PolarHBondContact NH2-O 3.36Å; Y146-E201 HydrophobicContact CE2-CG 3.99Å; Y146-E201 WeakPolarHBondContact CE2-OE1 3.5Å; Y146-E201 WeakPolarHBondContact OH-CG 3.48Å; T168-E201 HydrophobicContact CG2-CB 4.5Å; T168-E201 HydrophobicContact CG2-CG 4.38Å; D199-E201 VanDerWaalsContact C-N 3.29Å; D199-E201 PolarHBondContact OD1-N 2.86Å; E201-K203 PolarHBondContact O-N 3.25Å
202	A	93.6	Very high	94.1	Very high	50 Å²	50	61 Å²	61	41%	0.413	31%	0.31	S	S	.	.			trans	-59.5	119.1	172.9	0	0	0	0	0	110.9	D199 P204	D199-A202 HydrophobicContact CB-CB 4.16Å; A202-P204 WeakPolarHBondContact O-CD 3.39Å
203	K	94.5	Very high	94.4	Very high	70 Å²	70	62.6 Å²	62.6	30%	0.304	32%	0.315	S	S	.	.			trans	-65.4	121.8	173	-62.9	-172.2	177.2	-167.6	0	108.9	E201 H205 M206 A207 E285	E201-K203 PolarHBondContact O-N 3.25Å; K203-H205 PolarHBondContact O-N 3.03Å; K203-M206 HydrophobicContact CB-CB 4.16Å; K203-M206 PolarHBondContact O-N 2.78Å; K203-A207 PolarHBondContact O-N 2.73Å; K203-E285 PolarHBondContact NZ-O 2.83Å; K203-E285 IonicContact NZ-OE1 2.71Å; K203-E285 PolarHBondContact NZ-OE1 3.36Å
204	P	96.2	Very high	94.5	Very high	71 Å²	71	59.2 Å²	59.2	46%	0.461	31%	0.306	S	S	.	.	H	α-helix	trans	-54.3	-44.9	-171.6	-30.2	36.1	0	0	0	114.5	A202 M206 A207 E208 E234	A202-P204 WeakPolarHBondContact O-CD 3.39Å; P204-M206 VanDerWaalsContact C-N 3.3Å; P204-M206 PolarHBondContact O-N 2.96Å; P204-A207 PolarHBondContact O-N 3.06Å; P204-E208 PolarHBondContact O-N 2.73Å; P204-E234 HydrophobicContact CB-CB 4.3Å; P204-E234 HydrophobicContact CB-CG 3.95Å
205	H	97.4	Very high	94.8	Very high	4 Å²	4	55 Å²	55	2%	0.019	29%	0.285	C	S	.	.	H	α-helix	trans	-62	-36.8	178.9	71.4	-89.3	0	0	0	112.9	K203 F209 E234 L286 F299	K203-H205 PolarHBondContact O-N 3.03Å; H205-F209 VanDerWaalsContact O-CB 3.24Å; H205-F209 WeakPolarHBondContact O-CB 3.46Å; H205-F209 PolarHBondContact O-N 3.35Å; H205-E234 HydrophobicContact CB-CB 3.67Å; H205-L286 PolarHBondContact NE2-O 2.93Å; H205-F299 AromaticContact CD2-CE1 3.69Å; H205-F299 AromaticContact CD2-CZ 3.84Å
206	M	95.6	Very high	94.8	Very high	12 Å²	12	49.7 Å²	49.7	6%	0.059	26%	0.258	C	S	.	.	H	α-helix	trans	-74.8	-38.1	178.5	-172.7	62.6	69.1	0	0	111.1	K203 P204 F209 L210 L286 A289 F296 F299	K203-M206 HydrophobicContact CB-CB 4.16Å; K203-M206 PolarHBondContact O-N 2.78Å; P204-M206 VanDerWaalsContact C-N 3.3Å; P204-M206 PolarHBondContact O-N 2.96Å; M206-F209 PolarHBondContact O-N 3.41Å; M206-F209 HydrophobicContact SD-CD1 4.3Å; M206-L210 HydrophobicContact CG-CD1 4.07Å; M206-L210 HydrophobicContact CG-CG 4.45Å; M206-L210 WeakPolarHBondContact O-CB 3.24Å; M206-L210 VanDerWaalsContact O-CG 3.25Å; M206-L210 WeakPolarHBondContact O-CG 3.4Å; M206-L210 PolarHBondContact O-N 3.48Å; M206-L210 HydrophobicContact SD-CD1 4.41Å; M206-L210 HydrophobicContact SD-CG 4.33Å; M206-L286 WeakPolarHBondContact CE-O 3.41Å; M206-A289 HydrophobicContact CE-CB 4.29Å; M206-A289 HydrophobicContact CG-CB 4.43Å; M206-A289 HydrophobicContact SD-CB 4.39Å; M206-F296 HydrophobicContact CE-CD2 3.99Å; M206-F296 HydrophobicContact CE-CE2 4.23Å; M206-F296 HydrophobicContact SD-CD2 4.19Å; M206-F296 HydrophobicContact SD-CE2 3.89Å; M206-F299 HydrophobicContact CE-CD2 4.39Å; M206-F299 HydrophobicContact CE-CE1 4.3Å; M206-F299 HydrophobicContact CE-CE2 3.56Å; M206-F299 HydrophobicContact CE-CZ 3.52Å; M206-F299 HydrophobicContact SD-CE2 3.84Å; M206-F299 HydrophobicContact SD-CZ 4Å
207	A	94.5	Very high	94.8	Very high	44 Å²	44	52.9 Å²	52.9	36%	0.364	28%	0.283	S	S	.	.	H	α-helix	trans	-62.7	-48.9	175.9	0	0	0	0	0	111.6	K203 P204 F209 L210 L211	K203-A207 PolarHBondContact O-N 2.73Å; P204-A207 PolarHBondContact O-N 3.06Å; A207-F209 PolarHBondContact O-N 2.91Å; A207-L210 PolarHBondContact O-N 3.24Å; A207-L211 WeakPolarHBondContact O-CB 3.48Å; A207-L211 PolarHBondContact O-N 3.34Å
208	E	97.6	Very high	94.8	Very high	44 Å²	44	56.2 Å²	56.2	21%	0.206	30%	0.302	C	S	.	.	H	α-helix	trans	-64.4	-38.5	176.3	-72	-69.2	115.8	0	0	111.9	P204 L211 G212 H227 N230 A231	P204-E208 PolarHBondContact O-N 2.73Å; E208-L211 PolarHBondContact O-N 2.84Å; E208-G212 PolarHBondContact O-N 3.12Å; E208-H227 IonicContact OE1-CE1 2.73Å; E208-H227 IonicContact OE1-ND1 3.48Å; E208-H227 PolarHBondContact OE1-ND1 2.9Å; E208-H227 IonicContact OE2-CE1 3.99Å; E208-H227 IonicContact OE2-CG 3.28Å; E208-H227 IonicContact OE2-ND1 2.84Å; E208-H227 PolarHBondContact OE2-ND1 3.38Å; E208-N230 HydrophobicContact CB-CB 4.29Å; E208-N230 HydrophobicContact CG-CB 4.02Å; E208-N230 WeakPolarHBondContact OE2-CB 3.46Å; E208-N230 PolarHBondContact OE2-ND2 3.28Å; E208-A231 HydrophobicContact CB-CB 3.85Å
209	F	96.6	Very high	94.8	Very high	1 Å²	1	55.6 Å²	55.6	0%	0.004	31%	0.309	C	S	.	.	H	α-helix	trans	-63.5	-45.3	175.5	176.3	-102.1	0	0	0	112.7	H205 M206 A207 G212 K213 F228 A231 F296 F299 S302 H303 Y306	H205-F209 VanDerWaalsContact O-CB 3.24Å; H205-F209 WeakPolarHBondContact O-CB 3.46Å; H205-F209 PolarHBondContact O-N 3.35Å; M206-F209 PolarHBondContact O-N 3.41Å; M206-F209 HydrophobicContact SD-CD1 4.3Å; A207-F209 PolarHBondContact O-N 2.91Å; F209-G212 PolarHBondContact O-N 2.91Å; F209-K213 HydrophobicContact CD1-CD 4.07Å; F209-K213 HydrophobicContact CE1-CD 3.52Å; F209-K213 HydrophobicContact CE1-CG 4.47Å; F209-K213 HydrophobicContact CE2-CD 4.43Å; F209-K213 HydrophobicContact CZ-CD 3.74Å; F209-K213 HydrophobicContact CZ-CG 4.5Å; F209-K213 WeakPolarHBondContact O-CG 3.12Å; F209-K213 PolarHBondContact O-N 2.75Å; F209-F228 AromaticContact CD2-CD1 3.84Å; F209-F228 HydrophobicContact CD2-CD1 3.84Å; F209-F228 AromaticContact CD2-CE1 3.66Å; F209-F228 HydrophobicContact CD2-CE1 3.66Å; F209-F228 HydrophobicContact CE2-CD1 4.35Å; F209-F228 AromaticContact CE2-CE1 3.92Å; F209-F228 HydrophobicContact CE2-CE1 3.92Å; F209-F228 HydrophobicContact CG-CE1 4.4Å; F209-F228 WeakPolarHBondContact O-CE1 3.41Å; F209-A231 HydrophobicContact CB-CB 4.03Å; F209-F296 HydrophobicContact CE1-CD1 4.46Å; F209-F296 HydrophobicContact CE1-CE1 4.39Å; F209-F299 HydrophobicContact CB-CZ 4.43Å; F209-F299 HydrophobicContact CD1-CD2 4.44Å; F209-F299 AromaticContact CD1-CE2 3.54Å; F209-F299 HydrophobicContact CD1-CE2 3.54Å; F209-F299 HydrophobicContact CD1-CZ 4.26Å; F209-F299 HydrophobicContact CD2-CE2 4.26Å; F209-F299 HydrophobicContact CE1-CD2 4.07Å; F209-F299 AromaticContact CE1-CE2 3.61Å; F209-F299 HydrophobicContact CE1-CE2 3.61Å; F209-F299 HydrophobicContact CE2-CE2 4.33Å; F209-F299 AromaticContact CG-CE2 3.87Å; F209-F299 HydrophobicContact CG-CE2 3.87Å; F209-F299 HydrophobicContact CG-CZ 4.23Å; F209-F299 HydrophobicContact CZ-CD2 4.15Å; F209-F299 HydrophobicContact CZ-CE2 4.01Å; F209-S302 WeakPolarHBondContact CE2-OG 3.3Å; F209-S302 WeakPolarHBondContact CZ-OG 3.43Å; F209-H303 AromaticContact CD2-CD2 3.79Å; F209-H303 AromaticContact CD2-CE1 3.35Å; F209-H303 WeakPolarHBondContact CD2-CE1 3.36Å; F209-H303 AromaticContact CD2-ND1 3.76Å; F209-H303 AromaticContact CD2-NE2 3.36Å; F209-H303 WeakPolarHBondContact CD2-NE2 3.29Å; F209-H303 AromaticContact CE2-CE1 3.7Å; F209-H303 AromaticContact CE2-ND1 3.72Å; F209-Y306 HydrophobicContact CE2-CD2 4.17Å; F209-Y306 HydrophobicContact CE2-CE2 4.18Å; F209-Y306 HydrophobicContact CZ-CE2 4.09Å
210	L	93.9	Very high	94.9	Very high	84 Å²	84	56 Å²	56	44%	0.44	31%	0.314	S	S	.	.	H	α-helix	trans	-67.1	-38.4	178.2	-69.2	173.1	0	0	0	111.7	M206 A207 K213 S214 F296	M206-L210 HydrophobicContact CG-CD1 4.07Å; M206-L210 HydrophobicContact CG-CG 4.45Å; M206-L210 WeakPolarHBondContact O-CB 3.24Å; M206-L210 VanDerWaalsContact O-CG 3.25Å; M206-L210 WeakPolarHBondContact O-CG 3.4Å; M206-L210 PolarHBondContact O-N 3.48Å; M206-L210 HydrophobicContact SD-CD1 4.41Å; M206-L210 HydrophobicContact SD-CG 4.33Å; A207-L210 PolarHBondContact O-N 3.24Å; L210-K213 WeakPolarHBondContact O-CB 3.43Å; L210-K213 PolarHBondContact O-N 2.81Å; L210-S214 PolarHBondContact O-N 2.91Å; L210-F296 HydrophobicContact CD2-CZ 4.25Å
211	L	94.6	Very high	94.8	Very high	69 Å²	69	53.5 Å²	53.5	36%	0.361	30%	0.3	S	S	.	.	H	α-helix	trans	-66.9	-40.4	174.5	-176.5	54.6	0	0	0	112	A207 E208 K213 S214 F215 H227	A207-L211 WeakPolarHBondContact O-CB 3.48Å; A207-L211 PolarHBondContact O-N 3.34Å; E208-L211 PolarHBondContact O-N 2.84Å; L211-K213 VanDerWaalsContact C-N 3.29Å; L211-K213 PolarHBondContact O-N 3.25Å; L211-S214 WeakPolarHBondContact O-CB 3.43Å; L211-S214 PolarHBondContact O-N 3.1Å; L211-S214 VanDerWaalsContact O-N 3.15Å; L211-F215 HydrophobicContact CD1-CD2 4.03Å; L211-F215 HydrophobicContact CD1-CE2 3.57Å; L211-F215 HydrophobicContact CD1-CZ 4.29Å; L211-F215 HydrophobicContact CD2-CE2 4.39Å; L211-F215 HydrophobicContact CG-CD2 4.09Å; L211-F215 HydrophobicContact CG-CE2 3.78Å; L211-F215 WeakPolarHBondContact O-CD2 3.23Å; L211-F215 PolarHBondContact O-N 2.96Å; L211-F215 VanDerWaalsContact O-N 3.08Å; L211-H227 VanDerWaalsContact CD2-CE1 3.43Å; L211-H227 WeakPolarHBondContact CD2-CE1 3.43Å
212	G	95.6	Very high	94.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-57.9	-40.3	170.4	0	0	0	0	0	112.4	E208 F209 F215 Y216 F228	E208-G212 PolarHBondContact O-N 3.12Å; F209-G212 PolarHBondContact O-N 2.91Å; G212-F215 PolarHBondContact O-N 3.11Å; G212-Y216 VanDerWaalsContact O-CB 3.31Å; G212-Y216 WeakPolarHBondContact O-CB 3.2Å; G212-Y216 PolarHBondContact O-N 3.38Å; G212-F228 WeakPolarHBondContact O-CE2 3.34Å
213	K	94.5	Very high	95.1	Very high	56 Å²	56	53.8 Å²	53.8	24%	0.243	31%	0.307	C	S	.	.	H	α-helix	trans	-67.3	-32.5	174.1	-75.3	-178.9	61.1	170.6	0	113.8	F209 L210 L211 S217 F228 Y306	F209-K213 HydrophobicContact CD1-CD 4.07Å; F209-K213 HydrophobicContact CE1-CD 3.52Å; F209-K213 HydrophobicContact CE1-CG 4.47Å; F209-K213 HydrophobicContact CE2-CD 4.43Å; F209-K213 HydrophobicContact CZ-CD 3.74Å; F209-K213 HydrophobicContact CZ-CG 4.5Å; F209-K213 WeakPolarHBondContact O-CG 3.12Å; F209-K213 PolarHBondContact O-N 2.75Å; L210-K213 WeakPolarHBondContact O-CB 3.43Å; L210-K213 PolarHBondContact O-N 2.81Å; L211-K213 VanDerWaalsContact C-N 3.29Å; L211-K213 PolarHBondContact O-N 3.25Å; K213-S217 PolarHBondContact O-N 3.42Å; K213-S217 VanDerWaalsContact O-N 3.14Å; K213-S217 PolarHBondContact O-OG 3.39Å; K213-F228 HydrophobicContact CB-CZ 4.4Å; K213-F228 HydrophobicContact CG-CE1 3.89Å; K213-F228 HydrophobicContact CG-CZ 3.7Å; K213-Y306 HydrophobicContact CD-CE2 3.94Å; K213-Y306 WeakPolarHBondContact CE-OH 3.42Å; K213-Y306 HydrophobicContact CG-CD2 4.47Å; K213-Y306 HydrophobicContact CG-CE2 3.95Å
214	S	93.5	Very high	95.2	Very high	59 Å²	59	50.5 Å²	50.5	41%	0.413	29%	0.292	S	S	.	.	H	α-helix	trans	-62.5	-59.6	170.6	-165.5	0	0	0	0	109.7	L210 L211 Y216 S217 D218	L210-S214 PolarHBondContact O-N 2.91Å; L211-S214 WeakPolarHBondContact O-CB 3.43Å; L211-S214 PolarHBondContact O-N 3.1Å; L211-S214 VanDerWaalsContact O-N 3.15Å; S214-Y216 PolarHBondContact O-N 3.22Å; S214-S217 CarbonylContact O-C 3.58Å; S214-S217 WeakPolarHBondContact O-CA 3.34Å; S214-S217 WeakPolarHBondContact O-CB 3.42Å; S214-S217 PolarHBondContact O-N 2.76Å; S214-D218 VanDerWaalsContact O-CG 3.29Å; S214-D218 PolarHBondContact O-N 3.27Å; S214-D218 PolarHBondContact OG-OD2 2.91Å; S214-D218 VanDerWaalsContact OG-OD2 3.07Å
215	F	95.4	Very high	95.3	Very high	52 Å²	52	47.2 Å²	47.2	23%	0.228	27%	0.272	C	S	.	.	H	α-helix	trans	-58.6	-28.1	-179.9	-71.9	-59.3	0	0	0	113.8	L211 G212 S220 L223 A224 H227	L211-F215 HydrophobicContact CD1-CD2 4.03Å; L211-F215 HydrophobicContact CD1-CE2 3.57Å; L211-F215 HydrophobicContact CD1-CZ 4.29Å; L211-F215 HydrophobicContact CD2-CE2 4.39Å; L211-F215 HydrophobicContact CG-CD2 4.09Å; L211-F215 HydrophobicContact CG-CE2 3.78Å; L211-F215 WeakPolarHBondContact O-CD2 3.23Å; L211-F215 PolarHBondContact O-N 2.96Å; L211-F215 VanDerWaalsContact O-N 3.08Å; G212-F215 PolarHBondContact O-N 3.11Å; F215-S220 CarbonylContact O-C 3.55Å; F215-S220 WeakPolarHBondContact O-CA 3.47Å; F215-S220 WeakPolarHBondContact O-CB 3.05Å; F215-S220 PolarHBondContact O-N 2.97Å; F215-L223 HydrophobicContact CB-CB 4.12Å; F215-L223 HydrophobicContact CD1-CB 3.98Å; F215-L223 HydrophobicContact CD1-CD1 3.85Å; F215-L223 HydrophobicContact CD2-CB 4.03Å; F215-L223 HydrophobicContact CE1-CB 4.4Å; F215-L223 HydrophobicContact CE1-CD1 3.65Å; F215-L223 HydrophobicContact CE2-CB 4.43Å; F215-L223 HydrophobicContact CG-CB 3.79Å; F215-L223 HydrophobicContact CG-CD1 4.49Å; F215-L223 HydrophobicContact CZ-CD1 4.11Å; F215-A224 HydrophobicContact CB-CB 3.95Å; F215-H227 AromaticContact CD2-CD2 3.55Å; F215-H227 AromaticContact CE2-CD2 3.57Å; F215-H227 AromaticContact CE2-NE2 3.57Å
216	Y	92.1	Very high	95.3	Very high	56 Å²	56	52.7 Å²	52.7	22%	0.22	30%	0.295	C	S	.	.	H	α-helix	trans	-67.8	-37.5	171.7	-174.1	-84.2	0	0	0	112.6	G212 S214 D218 F221 F228 Y306 F309 S310	G212-Y216 VanDerWaalsContact O-CB 3.31Å; G212-Y216 WeakPolarHBondContact O-CB 3.2Å; G212-Y216 PolarHBondContact O-N 3.38Å; S214-Y216 PolarHBondContact O-N 3.22Å; Y216-D218 VanDerWaalsContact C-N 3.35Å; Y216-F221 HydrophobicContact CD2-CD1 4.27Å; Y216-F221 HydrophobicContact CD2-CE1 4.27Å; Y216-F221 HydrophobicContact CE2-CD1 4.45Å; Y216-F221 HydrophobicContact CE2-CE1 4.26Å; Y216-F228 HydrophobicContact CD2-CE2 4.35Å; Y216-Y306 HydrophobicContact CD1-CD1 4Å; Y216-Y306 HydrophobicContact CD1-CE1 4.06Å; Y216-Y306 AromaticContact CD2-CD1 3.75Å; Y216-Y306 HydrophobicContact CD2-CD1 3.75Å; Y216-Y306 AromaticContact CE1-CD1 3.99Å; Y216-Y306 HydrophobicContact CE1-CD1 3.99Å; Y216-Y306 HydrophobicContact CE1-CE1 4.07Å; Y216-Y306 AromaticContact CE2-CD1 3.71Å; Y216-Y306 HydrophobicContact CE2-CD1 3.71Å; Y216-Y306 AromaticContact CG-CD1 3.89Å; Y216-Y306 HydrophobicContact CG-CD1 3.89Å; Y216-Y306 HydrophobicContact CG-CE1 4.33Å; Y216-Y306 AromaticContact CZ-CD1 3.84Å; Y216-F309 HydrophobicContact CE2-CB 4.16Å; Y216-F309 AromaticContact CE2-CD1 3.66Å; Y216-F309 HydrophobicContact CE2-CD1 3.66Å; Y216-F309 HydrophobicContact CE2-CG 4.32Å; Y216-F309 AromaticContact CZ-CD1 3.6Å; Y216-F309 WeakPolarHBondContact OH-CD1 3.4Å; Y216-F309 WeakPolarHBondContact OH-CG 3.19Å; Y216-S310 WeakPolarHBondContact CD2-OG 3.36Å
217	S	92.1	Very high	95.4	Very high	91 Å²	91	53.3 Å²	53.3	64%	0.636	30%	0.298	S	S	*	.	H	α-helix	trans	-76	-26.4	177.3	-51.2	0	0	0	0	112	K213 S214 D219	K213-S217 PolarHBondContact O-N 3.42Å; K213-S217 VanDerWaalsContact O-N 3.14Å; K213-S217 PolarHBondContact O-OG 3.39Å; S214-S217 CarbonylContact O-C 3.58Å; S214-S217 WeakPolarHBondContact O-CA 3.34Å; S214-S217 WeakPolarHBondContact O-CB 3.42Å; S214-S217 PolarHBondContact O-N 2.76Å; S217-D219 VanDerWaalsContact C-N 3.27Å; S217-D219 PolarHBondContact O-N 3.47Å
218	D	94.1	Very high	95.6	Very high	93 Å²	93	51.2 Å²	51.2	50%	0.497	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	21.6	175.7	-55.9	-48.9	0	0	0	113	S214 Y216 S220	S214-D218 VanDerWaalsContact O-CG 3.29Å; S214-D218 PolarHBondContact O-N 3.27Å; S214-D218 PolarHBondContact OG-OD2 2.91Å; S214-D218 VanDerWaalsContact OG-OD2 3.07Å; Y216-D218 VanDerWaalsContact C-N 3.35Å; D218-S220 PolarHBondContact O-N 3.32Å; D218-S220 PolarHBondContact O-OG 2.86Å
219	D	93.3	Very high	95.7	Very high	123 Å²	123	51.1 Å²	51.1	66%	0.658	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	16.7	-174.7	-72.9	-37.2	0	0	0	115.2	S217 F221	S217-D219 VanDerWaalsContact C-N 3.27Å; S217-D219 PolarHBondContact O-N 3.47Å; D219-F221 HydrophobicContact CB-CE2 4Å; D219-F221 HydrophobicContact CB-CZ 4.22Å; D219-F221 WeakPolarHBondContact O-CD2 3.42Å; D219-F221 WeakPolarHBondContact O-CE2 3.49Å; D219-F221 PolarHBondContact O-N 3.47Å; D219-F221 WeakPolarHBondContact OD1-CZ 3.4Å
220	S	96.4	Very high	95.8	Very high	47 Å²	47	53.7 Å²	53.7	33%	0.329	29%	0.294	S	S	.	.			trans	-91.3	51	-170.9	-66.8	0	0	0	0	111	F215 D218 G222 L223 A224	F215-S220 CarbonylContact O-C 3.55Å; F215-S220 WeakPolarHBondContact O-CA 3.47Å; F215-S220 WeakPolarHBondContact O-CB 3.05Å; F215-S220 PolarHBondContact O-N 2.97Å; D218-S220 PolarHBondContact O-N 3.32Å; D218-S220 PolarHBondContact O-OG 2.86Å; S220-G222 PolarHBondContact O-N 2.8Å; S220-L223 WeakPolarHBondContact O-CA 3.29Å; S220-L223 PolarHBondContact O-N 2.87Å; S220-A224 PolarHBondContact O-N 3Å
221	F	95.2	Very high	96	Very high	28 Å²	28	49.7 Å²	49.7	12%	0.123	27%	0.273	C	S	.	.	H	α-helix	trans	-52	-34.1	-167.8	-59.5	-63.1	0	0	0	115.2	Y216 D219 L223 A224 A225 F309 N313	Y216-F221 HydrophobicContact CD2-CD1 4.27Å; Y216-F221 HydrophobicContact CD2-CE1 4.27Å; Y216-F221 HydrophobicContact CE2-CD1 4.45Å; Y216-F221 HydrophobicContact CE2-CE1 4.26Å; D219-F221 HydrophobicContact CB-CE2 4Å; D219-F221 HydrophobicContact CB-CZ 4.22Å; D219-F221 WeakPolarHBondContact O-CD2 3.42Å; D219-F221 WeakPolarHBondContact O-CE2 3.49Å; D219-F221 PolarHBondContact O-N 3.47Å; D219-F221 WeakPolarHBondContact OD1-CZ 3.4Å; F221-L223 VanDerWaalsContact C-N 3.34Å; F221-L223 PolarHBondContact O-N 2.78Å; F221-A224 PolarHBondContact O-N 3.46Å; F221-A225 WeakPolarHBondContact O-CB 3.46Å; F221-A225 PolarHBondContact O-N 3.43Å; F221-F309 HydrophobicContact CD1-CD1 4.32Å; F221-F309 AromaticContact CE1-CD1 3.84Å; F221-F309 HydrophobicContact CE1-CD1 3.84Å; F221-F309 AromaticContact CE1-CE1 3.69Å; F221-F309 HydrophobicContact CE1-CE1 3.69Å; F221-F309 HydrophobicContact CZ-CD1 4.44Å; F221-F309 AromaticContact CZ-CE1 3.86Å; F221-F309 HydrophobicContact CZ-CE1 3.86Å; F221-N313 HydrophobicContact CB-CB 4.18Å; F221-N313 HydrophobicContact CD1-CB 4.39Å; F221-N313 HydrophobicContact CD2-CB 3.39Å; F221-N313 HydrophobicContact CE2-CB 3.85Å; F221-N313 HydrophobicContact CG-CB 3.71Å
222	G	96.5	Very high	96.2	Very high	43 Å²	43	46.8 Å²	46.8	44%	0.443	26%	0.258	S	S	.	.	H	α-helix	trans	-67.4	-30.5	176.3	0	0	0	0	0	114.2	S220	S220-G222 PolarHBondContact O-N 2.8Å
223	L	97	Very high	96.3	Very high	83 Å²	83	53.6 Å²	53.6	44%	0.435	29%	0.289	S	S	.	.	H	α-helix	trans	-83.7	-41.2	172.5	-65.1	176.9	0	0	0	110.9	F215 S220 F221 A225 K226 H227	F215-L223 HydrophobicContact CB-CB 4.12Å; F215-L223 HydrophobicContact CD1-CB 3.98Å; F215-L223 HydrophobicContact CD1-CD1 3.85Å; F215-L223 HydrophobicContact CD2-CB 4.03Å; F215-L223 HydrophobicContact CE1-CB 4.4Å; F215-L223 HydrophobicContact CE1-CD1 3.65Å; F215-L223 HydrophobicContact CE2-CB 4.43Å; F215-L223 HydrophobicContact CG-CB 3.79Å; F215-L223 HydrophobicContact CG-CD1 4.49Å; F215-L223 HydrophobicContact CZ-CD1 4.11Å; S220-L223 WeakPolarHBondContact O-CA 3.29Å; S220-L223 PolarHBondContact O-N 2.87Å; F221-L223 VanDerWaalsContact C-N 3.34Å; F221-L223 PolarHBondContact O-N 2.78Å; L223-A225 VanDerWaalsContact C-N 3.34Å; L223-A225 PolarHBondContact O-N 3.05Å; L223-K226 WeakPolarHBondContact O-CB 3.44Å; L223-K226 PolarHBondContact O-N 3.01Å; L223-K226 VanDerWaalsContact O-N 3.14Å; L223-H227 PolarHBondContact O-CD2 3.35Å; L223-H227 VanDerWaalsContact O-CD2 3.29Å; L223-H227 PolarHBondContact O-N 3.23Å
224	A	96.6	Very high	96.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-53.4	-51.5	174.8	0	0	0	0	0	111.2	F215 S220 F221 K226 H227 F228	F215-A224 HydrophobicContact CB-CB 3.95Å; S220-A224 PolarHBondContact O-N 3Å; F221-A224 PolarHBondContact O-N 3.46Å; A224-K226 VanDerWaalsContact C-N 3.33Å; A224-K226 PolarHBondContact O-N 3.06Å; A224-H227 PolarHBondContact O-N 3.42Å; A224-F228 HydrophobicContact CB-CD2 4.37Å; A224-F228 HydrophobicContact CB-CE2 4.13Å; A224-F228 WeakPolarHBondContact O-CD2 3.32Å; A224-F228 PolarHBondContact O-N 3.16Å
225	A	98.1	Very high	96.7	Very high	3 Å²	3	52.1 Å²	52.1	3%	0.025	28%	0.277	C	S	.	.	H	α-helix	trans	-56	-45.3	176.9	0	0	0	0	0	112.3	F221 L223 H227 F228 E229 L307 Y311	F221-A225 WeakPolarHBondContact O-CB 3.46Å; F221-A225 PolarHBondContact O-N 3.43Å; L223-A225 VanDerWaalsContact C-N 3.34Å; L223-A225 PolarHBondContact O-N 3.05Å; A225-H227 PolarHBondContact O-N 3.32Å; A225-F228 PolarHBondContact O-N 2.88Å; A225-E229 WeakPolarHBondContact O-CG 3.44Å; A225-E229 PolarHBondContact O-N 2.82Å; A225-L307 HydrophobicContact CB-CD2 4.29Å; A225-L307 WeakPolarHBondContact O-CD2 3.23Å; A225-Y311 HydrophobicContact CB-CD1 4.41Å; A225-Y311 HydrophobicContact CB-CE1 4.15Å
226	K	98.4	Very high	96.8	Very high	119 Å²	119	50.8 Å²	50.8	52%	0.517	27%	0.271	S	S	.	.	H	α-helix	trans	-58.3	-47.9	178.4	-174.8	-163.7	171.1	-158.3	0	111.7	L223 A224 E229 N230	L223-K226 WeakPolarHBondContact O-CB 3.44Å; L223-K226 PolarHBondContact O-N 3.01Å; L223-K226 VanDerWaalsContact O-N 3.14Å; A224-K226 VanDerWaalsContact C-N 3.33Å; A224-K226 PolarHBondContact O-N 3.06Å; K226-E229 PolarHBondContact O-N 3.14Å; K226-N230 VanDerWaalsContact O-CG 3.31Å; K226-N230 PolarHBondContact O-N 2.91Å; K226-N230 VanDerWaalsContact O-N 3.08Å; K226-N230 PolarHBondContact O-OD1 3.2Å
227	H	98.5	Very high	97	Very high	24 Å²	24	51.3 Å²	51.3	11%	0.111	28%	0.28	C	S	.	.	H	α-helix	trans	-69.9	-33.4	-179.5	-75.3	-70.6	0	0	0	112.5	E208 L211 F215 L223 A224 A225 N230 A231	E208-H227 IonicContact OE1-CE1 2.73Å; E208-H227 IonicContact OE1-ND1 3.48Å; E208-H227 PolarHBondContact OE1-ND1 2.9Å; E208-H227 IonicContact OE2-CE1 3.99Å; E208-H227 IonicContact OE2-CG 3.28Å; E208-H227 IonicContact OE2-ND1 2.84Å; E208-H227 PolarHBondContact OE2-ND1 3.38Å; L211-H227 VanDerWaalsContact CD2-CE1 3.43Å; L211-H227 WeakPolarHBondContact CD2-CE1 3.43Å; F215-H227 AromaticContact CD2-CD2 3.55Å; F215-H227 AromaticContact CE2-CD2 3.57Å; F215-H227 AromaticContact CE2-NE2 3.57Å; L223-H227 PolarHBondContact O-CD2 3.35Å; L223-H227 VanDerWaalsContact O-CD2 3.29Å; L223-H227 PolarHBondContact O-N 3.23Å; A224-H227 PolarHBondContact O-N 3.42Å; A225-H227 PolarHBondContact O-N 3.32Å; H227-N230 PolarHBondContact O-N 3.13Å; H227-A231 VanDerWaalsContact O-CB 3.31Å; H227-A231 WeakPolarHBondContact O-CB 3.34Å; H227-A231 PolarHBondContact O-N 3.2Å
228	F	98.5	Very high	97.3	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-69.9	-31.7	172.3	-70.2	-57.4	0	0	0	113.9	F209 G212 K213 Y216 A224 A225 L232 Y306 L307	F209-F228 AromaticContact CD2-CD1 3.84Å; F209-F228 HydrophobicContact CD2-CD1 3.84Å; F209-F228 AromaticContact CD2-CE1 3.66Å; F209-F228 HydrophobicContact CD2-CE1 3.66Å; F209-F228 HydrophobicContact CE2-CD1 4.35Å; F209-F228 AromaticContact CE2-CE1 3.92Å; F209-F228 HydrophobicContact CE2-CE1 3.92Å; F209-F228 HydrophobicContact CG-CE1 4.4Å; F209-F228 WeakPolarHBondContact O-CE1 3.41Å; G212-F228 WeakPolarHBondContact O-CE2 3.34Å; K213-F228 HydrophobicContact CB-CZ 4.4Å; K213-F228 HydrophobicContact CG-CE1 3.89Å; K213-F228 HydrophobicContact CG-CZ 3.7Å; Y216-F228 HydrophobicContact CD2-CE2 4.35Å; A224-F228 HydrophobicContact CB-CD2 4.37Å; A224-F228 HydrophobicContact CB-CE2 4.13Å; A224-F228 WeakPolarHBondContact O-CD2 3.32Å; A224-F228 PolarHBondContact O-N 3.16Å; A225-F228 PolarHBondContact O-N 2.88Å; F228-L232 WeakPolarHBondContact O-CG 3.31Å; F228-L232 PolarHBondContact O-N 2.87Å; F228-L232 VanDerWaalsContact O-N 3.15Å; F228-Y306 AromaticContact CE1-CD2 3.81Å; F228-Y306 HydrophobicContact CE1-CD2 3.81Å; F228-Y306 HydrophobicContact CE1-CG 4.07Å; F228-Y306 VanDerWaalsContact CE2-CB 3.4Å; F228-Y306 HydrophobicContact CE2-CD1 4.41Å; F228-Y306 HydrophobicContact CE2-CD2 4.47Å; F228-Y306 AromaticContact CE2-CG 3.9Å; F228-Y306 HydrophobicContact CE2-CG 3.9Å; F228-Y306 HydrophobicContact CZ-CD1 4.11Å; F228-Y306 AromaticContact CZ-CD2 3.71Å; F228-Y306 HydrophobicContact CZ-CD2 3.71Å; F228-Y306 HydrophobicContact CZ-CE2 4.43Å; F228-Y306 AromaticContact CZ-CG 3.53Å; F228-Y306 HydrophobicContact CZ-CG 3.53Å; F228-L307 HydrophobicContact CB-CD1 4.24Å; F228-L307 HydrophobicContact CB-CD2 3.63Å; F228-L307 HydrophobicContact CB-CG 3.7Å
229	E	98.4	Very high	97.4	Very high	43 Å²	43	44.2 Å²	44.2	20%	0.201	24%	0.237	C	C	.	.	H	α-helix	trans	-68.7	-45.3	171.8	-65.4	-67.4	-169.7	0	0	111.5	A225 K226 A231 L232 E233 L307 Y311 R359	A225-E229 WeakPolarHBondContact O-CG 3.44Å; A225-E229 PolarHBondContact O-N 2.82Å; K226-E229 PolarHBondContact O-N 3.14Å; E229-A231 VanDerWaalsContact C-N 3.3Å; E229-A231 PolarHBondContact O-N 3.34Å; E229-L232 PolarHBondContact O-N 3.33Å; E229-L232 VanDerWaalsContact O-N 3.14Å; E229-E233 PolarHBondContact O-N 3.37Å; E229-E233 VanDerWaalsContact O-N 3.08Å; E229-L307 HydrophobicContact CG-CD2 3.91Å; E229-Y311 WeakPolarHBondContact CG-OH 3.35Å; E229-Y311 VanDerWaalsContact OE1-CE2 3.29Å; E229-Y311 WeakPolarHBondContact OE1-CE2 3.37Å; E229-Y311 PolarHBondContact OE1-OH 3.14Å; E229-R359 IonicContact OE1-CZ 3.19Å; E229-R359 IonicContact OE1-NH1 2.72Å; E229-R359 IonicContact OE1-NH2 3.06Å; E229-R359 PolarHBondContact OE1-NH2 3.36Å; E229-R359 IonicContact OE2-CZ 3.56Å; E229-R359 IonicContact OE2-NH1 3.61Å; E229-R359 PolarHBondContact OE2-NH1 2.95Å; E229-R359 IonicContact OE2-NH2 3.34Å; E229-R359 PolarHBondContact OE2-NH2 3.37Å
230	N	98.6	Very high	97.6	Very high	54 Å²	54	44.2 Å²	44.2	29%	0.289	23%	0.231	S	C	.	.	H	α-helix	trans	-56	-45.4	172.8	-68.9	-5.3	0	0	0	111.3	E208 K226 H227 L232 E233 E234	E208-N230 HydrophobicContact CB-CB 4.29Å; E208-N230 HydrophobicContact CG-CB 4.02Å; E208-N230 WeakPolarHBondContact OE2-CB 3.46Å; E208-N230 PolarHBondContact OE2-ND2 3.28Å; K226-N230 VanDerWaalsContact O-CG 3.31Å; K226-N230 PolarHBondContact O-N 2.91Å; K226-N230 VanDerWaalsContact O-N 3.08Å; K226-N230 PolarHBondContact O-OD1 3.2Å; H227-N230 PolarHBondContact O-N 3.13Å; N230-L232 VanDerWaalsContact C-N 3.28Å; N230-L232 PolarHBondContact O-N 2.65Å; N230-E233 PolarHBondContact O-N 3.36Å; N230-E234 PolarHBondContact O-N 2.87Å
231	A	98.4	Very high	97.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.8	-36.2	178	0	0	0	0	0	112.7	E208 F209 H227 E229 Y235	E208-A231 HydrophobicContact CB-CB 3.85Å; F209-A231 HydrophobicContact CB-CB 4.03Å; H227-A231 VanDerWaalsContact O-CB 3.31Å; H227-A231 WeakPolarHBondContact O-CB 3.34Å; H227-A231 PolarHBondContact O-N 3.2Å; E229-A231 VanDerWaalsContact C-N 3.3Å; E229-A231 PolarHBondContact O-N 3.34Å; A231-Y235 WeakPolarHBondContact O-CB 3.38Å; A231-Y235 PolarHBondContact O-N 3.41Å
232	L	98.4	Very high	97.6	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-70.3	-39.2	174.4	-75.8	175.6	0	0	0	113.1	F228 E229 N230 Y235 F236 L300 H303 F304 L307	F228-L232 WeakPolarHBondContact O-CG 3.31Å; F228-L232 PolarHBondContact O-N 2.87Å; F228-L232 VanDerWaalsContact O-N 3.15Å; E229-L232 PolarHBondContact O-N 3.33Å; E229-L232 VanDerWaalsContact O-N 3.14Å; N230-L232 VanDerWaalsContact C-N 3.28Å; N230-L232 PolarHBondContact O-N 2.65Å; L232-Y235 PolarHBondContact O-N 3.02Å; L232-F236 HydrophobicContact CD2-CE2 4.36Å; L232-F236 VanDerWaalsContact O-CD2 3.27Å; L232-F236 WeakPolarHBondContact O-CD2 3.5Å; L232-F236 PolarHBondContact O-N 3.43Å; L232-L300 HydrophobicContact CD2-CD1 3.65Å; L232-H303 HydrophobicContact CD1-CB 4.3Å; L232-H303 HydrophobicContact CD2-CB 3.72Å; L232-H303 HydrophobicContact CG-CB 4.01Å; L232-F304 HydrophobicContact CD1-CD1 4.23Å; L232-F304 HydrophobicContact CD1-CE1 3.41Å; L232-F304 VanDerWaalsContact CD1-CE1 3.41Å; L232-F304 HydrophobicContact CD1-CZ 3.69Å; L232-F304 HydrophobicContact CD2-CE1 4.35Å; L232-F304 HydrophobicContact CD2-CE2 4.26Å; L232-F304 HydrophobicContact CD2-CZ 3.77Å; L232-F304 HydrophobicContact CG-CZ 4.42Å; L232-L307 HydrophobicContact CD1-CD1 3.55Å
233	E	98	Very high	97.5	Very high	143 Å²	143	42.7 Å²	42.7	67%	0.668	21%	0.208	S	C	*	.	H	α-helix	trans	-64.5	-45.5	176.9	-175.8	166	-162.5	0	0	111.3	E229 N230 T237	E229-E233 PolarHBondContact O-N 3.37Å; E229-E233 VanDerWaalsContact O-N 3.08Å; N230-E233 PolarHBondContact O-N 3.36Å; E233-T237 WeakPolarHBondContact O-CB 3.49Å; E233-T237 PolarHBondContact O-N 3.26Å; E233-T237 VanDerWaalsContact O-N 3.17Å; E233-T237 PolarHBondContact O-OG1 2.97Å
234	E	98.3	Very high	97.4	Very high	82 Å²	82	39 Å²	39	38%	0.383	19%	0.19	S	C	.	.	H	α-helix	trans	-65.2	-41.3	173.2	-70.2	-66.5	166.2	0	0	111.7	P204 H205 N230 T237 A238	P204-E234 HydrophobicContact CB-CB 4.3Å; P204-E234 HydrophobicContact CB-CG 3.95Å; H205-E234 HydrophobicContact CB-CB 3.67Å; N230-E234 PolarHBondContact O-N 2.87Å; E234-T237 WeakPolarHBondContact O-CB 3.4Å; E234-T237 PolarHBondContact O-N 3.27Å; E234-T237 VanDerWaalsContact O-N 3.16Å; E234-A238 WeakPolarHBondContact O-CB 3.47Å; E234-A238 PolarHBondContact O-N 2.88Å
235	Y	98.3	Very high	97.3	Very high	3 Å²	3	41.3 Å²	41.3	1%	0.012	20%	0.202	C	C	.	.	H	α-helix	trans	-59.3	-51.5	177.1	174.7	-89.1	0	0	0	111.5	A231 L232 T237 A238 Y239 L286 F299 L300 Y365	A231-Y235 WeakPolarHBondContact O-CB 3.38Å; A231-Y235 PolarHBondContact O-N 3.41Å; L232-Y235 PolarHBondContact O-N 3.02Å; Y235-T237 PolarHBondContact O-N 3.01Å; Y235-A238 PolarHBondContact O-N 3.39Å; Y235-Y239 HydrophobicContact CE1-CG 4.49Å; Y235-Y239 WeakPolarHBondContact O-CB 3.06Å; Y235-Y239 PolarHBondContact O-N 2.97Å; Y235-L286 HydrophobicContact CD2-CB 4.1Å; Y235-L286 HydrophobicContact CD2-CD2 3.42Å; Y235-L286 VanDerWaalsContact CD2-CD2 3.42Å; Y235-L286 HydrophobicContact CD2-CG 4.41Å; Y235-L286 HydrophobicContact CE2-CB 3.71Å; Y235-L286 HydrophobicContact CE2-CD2 3.55Å; Y235-L286 HydrophobicContact CE2-CG 4.3Å; Y235-L286 HydrophobicContact CG-CD2 4.04Å; Y235-L286 WeakPolarHBondContact O-CD2 3.21Å; Y235-F299 HydrophobicContact CD2-CD1 4.13Å; Y235-F299 AromaticContact CD2-CE1 3.84Å; Y235-F299 HydrophobicContact CD2-CE1 3.84Å; Y235-F299 AromaticContact CE2-CD1 3.94Å; Y235-F299 HydrophobicContact CE2-CD1 3.94Å; Y235-F299 HydrophobicContact CE2-CE1 4.1Å; Y235-L300 HydrophobicContact CD1-CD1 3.92Å; Y235-L300 HydrophobicContact CE1-CB 4.29Å; Y235-L300 HydrophobicContact CE1-CD1 3.77Å; Y235-L300 HydrophobicContact CE1-CD2 3.83Å; Y235-L300 HydrophobicContact CE1-CG 4.17Å; Y235-Y365 HydrophobicContact CE1-CE2 4.46Å
236	F	97.9	Very high	97	Very high	23 Å²	23	41.7 Å²	41.7	10%	0.101	20%	0.204	C	C	.	.	H	α-helix	trans	-69.2	-15.8	179.5	-78.5	-63.4	0	0	0	113.2	L232 K240 L300 V361 V362 Y365	L232-F236 HydrophobicContact CD2-CE2 4.36Å; L232-F236 VanDerWaalsContact O-CD2 3.27Å; L232-F236 WeakPolarHBondContact O-CD2 3.5Å; L232-F236 PolarHBondContact O-N 3.43Å; F236-K240 VanDerWaalsContact O-CD 3.24Å; F236-K240 WeakPolarHBondContact O-CD 3.44Å; F236-K240 VanDerWaalsContact O-CE 3.31Å; F236-K240 WeakPolarHBondContact O-CE 3.15Å; F236-K240 VanDerWaalsContact O-CG 3.26Å; F236-K240 WeakPolarHBondContact O-CG 3.4Å; F236-L300 HydrophobicContact CE2-CD1 4.28Å; F236-L300 HydrophobicContact CZ-CD1 4.04Å; F236-L300 HydrophobicContact CZ-CD2 4.27Å; F236-V361 HydrophobicContact CD1-CG2 4.1Å; F236-V361 HydrophobicContact CD2-CG1 4.47Å; F236-V361 HydrophobicContact CD2-CG2 4.34Å; F236-V361 HydrophobicContact CE1-CG2 4.08Å; F236-V361 HydrophobicContact CE2-CG1 4.01Å; F236-V361 HydrophobicContact CE2-CG2 4.33Å; F236-V361 HydrophobicContact CG-CG2 4.24Å; F236-V361 HydrophobicContact CZ-CG1 4.27Å; F236-V361 HydrophobicContact CZ-CG2 4.2Å; F236-V362 HydrophobicContact CE2-CG2 4.5Å; F236-V362 HydrophobicContact CZ-CG2 4.15Å; F236-Y365 AromaticContact CE1-CD2 3.92Å; F236-Y365 HydrophobicContact CE1-CD2 3.92Å; F236-Y365 HydrophobicContact CE1-CG 4.41Å
237	T	96.9	Very high	96.4	Very high	68 Å²	68	36.8 Å²	36.8	42%	0.417	18%	0.183	S	C	.	.	H	α-helix	trans	-79.1	-56.9	170.6	-60.5	0	0	0	0	110.2	E233 E234 Y235 Y239 K240 E241	E233-T237 WeakPolarHBondContact O-CB 3.49Å; E233-T237 PolarHBondContact O-N 3.26Å; E233-T237 VanDerWaalsContact O-N 3.17Å; E233-T237 PolarHBondContact O-OG1 2.97Å; E234-T237 WeakPolarHBondContact O-CB 3.4Å; E234-T237 PolarHBondContact O-N 3.27Å; E234-T237 VanDerWaalsContact O-N 3.16Å; Y235-T237 PolarHBondContact O-N 3.01Å; T237-Y239 VanDerWaalsContact C-N 3.27Å; T237-Y239 PolarHBondContact O-N 3.18Å; T237-K240 PolarHBondContact O-N 2.93Å; T237-K240 VanDerWaalsContact O-N 3.12Å; T237-E241 PolarHBondContact O-N 3.38Å; T237-E241 VanDerWaalsContact O-N 3.14Å
238	A	97.4	Very high	95.4	Very high	22 Å²	22	37.5 Å²	37.5	18%	0.182	20%	0.197	C	C	.	.	H	α-helix	trans	-58.9	-34.5	177.3	0	0	0	0	0	113.2	E234 Y235 K240 E241 C242 L286	E234-A238 WeakPolarHBondContact O-CB 3.47Å; E234-A238 PolarHBondContact O-N 2.88Å; Y235-A238 PolarHBondContact O-N 3.39Å; A238-K240 PolarHBondContact O-N 3.03Å; A238-E241 PolarHBondContact O-N 2.88Å; A238-C242 PolarHBondContact O-N 3.08Å; A238-L286 HydrophobicContact CB-CD2 3.79Å; A238-L286 HydrophobicContact CB-CG 4.32Å
239	Y	97.1	Very high	94.3	Very high	13 Å²	13	40.5 Å²	40.5	5%	0.051	23%	0.228	C	C	.	.	H	α-helix	trans	-65.2	-38.7	177.7	-177.3	-108.5	0	0	0	111.9	Y235 T237 R243 C282 Y365	Y235-Y239 HydrophobicContact CE1-CG 4.49Å; Y235-Y239 WeakPolarHBondContact O-CB 3.06Å; Y235-Y239 PolarHBondContact O-N 2.97Å; T237-Y239 VanDerWaalsContact C-N 3.27Å; T237-Y239 PolarHBondContact O-N 3.18Å; Y239-R243 HydrophobicContact CE2-CG 4.47Å; Y239-R243 WeakPolarHBondContact O-CB 3.36Å; Y239-R243 WeakPolarHBondContact O-CG 3.31Å; Y239-R243 PolarHBondContact O-N 3.11Å; Y239-R243 PolarHBondContact OH-NH1 3.15Å; Y239-C282 HydrophobicContact CD2-CB 4.02Å; Y239-C282 HydrophobicContact CE2-CB 3.92Å; Y239-Y365 HydrophobicContact CD1-CD2 4.21Å; Y239-Y365 HydrophobicContact CD1-CE2 4.13Å; Y239-Y365 HydrophobicContact CD2-CE2 4.31Å; Y239-Y365 AromaticContact CE1-CD2 3.56Å; Y239-Y365 HydrophobicContact CE1-CD2 3.56Å; Y239-Y365 AromaticContact CE1-CE2 3.49Å; Y239-Y365 HydrophobicContact CE1-CE2 3.49Å; Y239-Y365 VanDerWaalsContact CE1-CE2 3.49Å; Y239-Y365 AromaticContact CE2-CE2 3.72Å; Y239-Y365 HydrophobicContact CE2-CE2 3.72Å; Y239-Y365 AromaticContact CZ-CD2 3.8Å; Y239-Y365 AromaticContact CZ-CE2 3.25Å; Y239-Y365 WeakPolarHBondContact OH-CE2 3.23Å
240	K	95.8	Very high	93.1	Very high	122 Å²	122	42.2 Å²	42.2	53%	0.53	23%	0.233	S	C	.	.	H	α-helix	trans	-68.3	-39.4	173.8	-68.9	167.3	-167.7	166.7	0	111.4	F236 T237 A238 A244	F236-K240 VanDerWaalsContact O-CD 3.24Å; F236-K240 WeakPolarHBondContact O-CD 3.44Å; F236-K240 VanDerWaalsContact O-CE 3.31Å; F236-K240 WeakPolarHBondContact O-CE 3.15Å; F236-K240 VanDerWaalsContact O-CG 3.26Å; F236-K240 WeakPolarHBondContact O-CG 3.4Å; T237-K240 PolarHBondContact O-N 2.93Å; T237-K240 VanDerWaalsContact O-N 3.12Å; A238-K240 PolarHBondContact O-N 3.03Å; K240-A244 WeakPolarHBondContact O-CB 3.3Å; K240-A244 PolarHBondContact O-N 3.28Å
241	E	96.4	Very high	91.7	Very high	52 Å²	52	45.2 Å²	45.2	24%	0.243	24%	0.24	C	C	.	.	H	α-helix	trans	-63.8	-46	175.5	-61.6	-159	146.4	0	0	112.4	R67 V71 T237 A238 A244 L245	R67-E241 IonicContact CZ-OE2 2.76Å; R67-E241 IonicContact NH1-OE2 3.76Å; R67-E241 PolarHBondContact NH1-OE2 3.12Å; R67-E241 IonicContact NH2-OE2 3.73Å; R67-E241 PolarHBondContact NH2-OE2 3.45Å; V71-E241 HydrophobicContact CG1-CB 4.05Å; V71-E241 HydrophobicContact CG1-CG 3.74Å; V71-E241 HydrophobicContact CG2-CB 4.02Å; V71-E241 HydrophobicContact CG2-CG 4.46Å; T237-E241 PolarHBondContact O-N 3.38Å; T237-E241 VanDerWaalsContact O-N 3.14Å; A238-E241 PolarHBondContact O-N 2.88Å; E241-A244 WeakPolarHBondContact O-CB 3.45Å; E241-A244 PolarHBondContact O-N 3.12Å; E241-L245 WeakPolarHBondContact O-CG 3.22Å; E241-L245 PolarHBondContact O-N 2.92Å
242	C	96.6	Very high	90.2	Very high	10 Å²	10	48.7 Å²	48.7	7%	0.068	26%	0.256	C	S	.	.	H	α-helix	trans	-58.4	-49.3	176.4	177.1	0	0	0	0	111	A238 A244 L245 C246 C282 L286	A238-C242 PolarHBondContact O-N 3.08Å; C242-A244 VanDerWaalsContact C-N 3.25Å; C242-A244 PolarHBondContact O-N 3.24Å; C242-L245 WeakPolarHBondContact O-CA 3.41Å; C242-L245 WeakPolarHBondContact O-CB 3.07Å; C242-L245 PolarHBondContact O-N 2.88Å; C242-C246 PolarHBondContact O-N 2.93Å; C242-C282 HydrophobicContact CB-CB 3.83Å; C242-C282 WeakPolarHBondContact CB-SG 3.32Å; C242-C282 WeakPolarHBondContact SG-CA 3.34Å; C242-C282 WeakPolarHBondContact SG-CB 3.22Å; C242-C282 CovalentContact SG-SG 2.04Å; C242-C282 PolarHBondContact SG-SG 3.23Å; C242-L286 HydrophobicContact CB-CD1 4.08Å
243	R	94.8	Very high	88.1	Confident	24 Å²	24	53.4 Å²	53.4	9%	0.091	28%	0.281	C	S	.	.	H	α-helix	trans	-66.4	-26.4	179.8	-71.7	175.3	57.7	93.5	5.8	113.6	Y239 K279 C282 E372	Y239-R243 HydrophobicContact CE2-CG 4.47Å; Y239-R243 WeakPolarHBondContact O-CB 3.36Å; Y239-R243 WeakPolarHBondContact O-CG 3.31Å; Y239-R243 PolarHBondContact O-N 3.11Å; Y239-R243 PolarHBondContact OH-NH1 3.15Å; R243-K279 HydrophobicContact CB-CG 4.14Å; R243-K279 HydrophobicContact CG-CB 4.28Å; R243-K279 HydrophobicContact CG-CG 4.13Å; R243-K279 PolarHBondContact NH1-O 3.19Å; R243-K279 WeakPolarHBondContact O-CE 3.41Å; R243-C282 HydrophobicContact CG-CB 4.01Å; R243-C282 PolarHBondContact N-SG 3.41Å; R243-C282 VanDerWaalsContact N-SG 3.43Å; R243-E372 IonicContact CZ-OE1 3.33Å; R243-E372 IonicContact CZ-OE2 2.77Å; R243-E372 VanDerWaalsContact CZ-OE2 3.31Å; R243-E372 IonicContact NH1-OE2 3.75Å; R243-E372 PolarHBondContact NH1-OE2 3.38Å; R243-E372 IonicContact NH2-OE1 3.84Å; R243-E372 PolarHBondContact NH2-OE1 3.09Å; R243-E372 IonicContact NH2-OE2 2.77Å; R243-E372 PolarHBondContact NH2-OE2 3.32Å
244	A	94.4	Very high	85.6	Confident	7 Å²	7	50.3 Å²	50.3	6%	0.058	29%	0.287	C	S	.	.	H	α-helix	trans	-72.3	-38.8	168.8	0	0	0	0	0	111.7	R74 L75 K240 E241 C242 C246 E247	R74-A244 HydrophobicContact CB-CB 4.05Å; R74-A244 WeakPolarHBondContact CD-O 3.47Å; L75-A244 HydrophobicContact CD2-CB 3.76Å; L75-A244 HydrophobicContact CG-CB 3.81Å; K240-A244 WeakPolarHBondContact O-CB 3.3Å; K240-A244 PolarHBondContact O-N 3.28Å; E241-A244 WeakPolarHBondContact O-CB 3.45Å; E241-A244 PolarHBondContact O-N 3.12Å; C242-A244 VanDerWaalsContact C-N 3.25Å; C242-A244 PolarHBondContact O-N 3.24Å; A244-C246 VanDerWaalsContact C-N 3.25Å; A244-C246 PolarHBondContact O-N 2.92Å; A244-E247 WeakPolarHBondContact O-CB 3.47Å; A244-E247 WeakPolarHBondContact O-CG 3.46Å; A244-E247 PolarHBondContact O-N 3.02Å; A244-E247 VanDerWaalsContact O-N 3.16Å
245	L	93.3	Very high	83.2	Confident	48 Å²	48	54.6 Å²	54.6	25%	0.251	30%	0.301	S	S	.	.	H	α-helix	trans	-65.7	-24.1	178.2	-75.7	164.6	0	0	0	113.8	R67 K70 V71 R74 E241 C242 E247	R67-L245 HydrophobicContact CG-CD1 3.79Å; R67-L245 HydrophobicContact CG-CD2 4.24Å; K70-L245 HydrophobicContact CB-CD2 3.91Å; V71-L245 HydrophobicContact CG2-CD1 3.79Å; V71-L245 HydrophobicContact CG2-CD2 3.92Å; V71-L245 HydrophobicContact CG2-CG 3.66Å; R74-L245 PolarHBondContact NH1-O 3.3Å; E241-L245 WeakPolarHBondContact O-CG 3.22Å; E241-L245 PolarHBondContact O-N 2.92Å; C242-L245 WeakPolarHBondContact O-CA 3.41Å; C242-L245 WeakPolarHBondContact O-CB 3.07Å; C242-L245 PolarHBondContact O-N 2.88Å; L245-E247 PolarHBondContact O-N 2.8Å
246	C	92.4	Very high	80.9	Confident	10 Å²	10	58.2 Å²	58.2	7%	0.068	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.3	171.6	-65.1	0	0	0	0	114.5	C242 A244 G248 L275 C278 K279	C242-C246 PolarHBondContact O-N 2.93Å; A244-C246 VanDerWaalsContact C-N 3.25Å; A244-C246 PolarHBondContact O-N 2.92Å; C246-G248 PolarHBondContact O-N 2.96Å; C246-L275 VanDerWaalsContact C-CD1 3.47Å; C246-L275 HydrophobicContact CB-CD1 3.96Å; C246-L275 WeakPolarHBondContact O-CD1 3.19Å; C246-C278 WeakPolarHBondContact CA-SG 3.2Å; C246-C278 HydrophobicContact CB-CB 3.7Å; C246-C278 WeakPolarHBondContact CB-SG 3.42Å; C246-C278 WeakPolarHBondContact SG-CB 3.48Å; C246-C278 PolarHBondContact SG-O 3.2Å; C246-C278 CovalentContact SG-SG 2.04Å; C246-C278 PolarHBondContact SG-SG 2.83Å; C246-K279 HydrophobicContact CB-CG 3.89Å; C246-K279 PolarHBondContact SG-N 2.85Å
247	E	86.2	Confident	78.7	Confident	16 Å²	16	65.1 Å²	65.1	8%	0.075	35%	0.35	C	S	.	.			trans	-70	119.1	175.7	-54.2	-77.7	156.9	0	0	110	R74 R112 A244 L245 L275 K279	R74-E247 HydrophobicContact CG-CB 4.18Å; R74-E247 PolarHBondContact NE-O 3.08Å; R74-E247 PolarHBondContact NH1-O 3.31Å; R112-E247 IonicContact CZ-OE1 3.52Å; R112-E247 IonicContact CZ-OE2 3.38Å; R112-E247 IonicContact NE-OE1 3.69Å; R112-E247 IonicContact NE-OE2 3.08Å; R112-E247 PolarHBondContact NE-OE2 3.16Å; R112-E247 IonicContact NH2-OE1 3.65Å; R112-E247 PolarHBondContact NH2-OE1 3.36Å; R112-E247 IonicContact NH2-OE2 2.84Å; R112-E247 PolarHBondContact NH2-OE2 3.04Å; A244-E247 WeakPolarHBondContact O-CB 3.47Å; A244-E247 WeakPolarHBondContact O-CG 3.46Å; A244-E247 PolarHBondContact O-N 3.02Å; A244-E247 VanDerWaalsContact O-N 3.16Å; L245-E247 PolarHBondContact O-N 2.8Å; E247-L275 HydrophobicContact CG-CD1 4.4Å; E247-K279 VanDerWaalsContact OE1-CE 3.29Å; E247-K279 WeakPolarHBondContact OE1-CE 3.46Å; E247-K279 IonicContact OE1-NZ 3.24Å; E247-K279 PolarHBondContact OE1-NZ 3.48Å
248	G	77.6	Confident	76.7	Confident	39 Å²	39	70.4 Å²	70.4	40%	0.402	37%	0.372	S	S	.	.	S	Bend	trans	-178.1	-162.7	-176.7	0	0	0	0	0	114.2	C246 H271	C246-G248 PolarHBondContact O-N 2.96Å; G248-H271 PolarHBondContact O-CE1 3.25Å
249	G	75.3	Confident	74.9	Confident	64 Å²	64	75.2 Å²	75.2	66%	0.66	39%	0.391	S	S	*	.	S	Bend	trans	-68.2	155.9	170.3	0	0	0	0	0	112	Q274	G249-Q274 PolarHBondContact O-NE2 2.92Å
250	Y	72.8	Confident	73.3	Confident	79 Å²	79	77.7 Å²	77.7	31%	0.31	40%	0.401	S	S	.	.			trans	-67.3	135.6	169.8	-171.9	-107.1	0	0	0	110.5	F252 D270 H271 Q274	Y250-F252 AromaticContact CD1-CD1 3.67Å; Y250-F252 HydrophobicContact CD1-CD1 3.67Å; Y250-F252 HydrophobicContact CD1-CD2 4.11Å; Y250-F252 AromaticContact CD1-CE1 3.52Å; Y250-F252 HydrophobicContact CD1-CE1 3.52Å; Y250-F252 AromaticContact CD1-CE2 3.97Å; Y250-F252 HydrophobicContact CD1-CE2 3.97Å; Y250-F252 AromaticContact CD1-CG 3.96Å; Y250-F252 HydrophobicContact CD1-CG 3.96Å; Y250-F252 AromaticContact CD1-CZ 3.66Å; Y250-F252 HydrophobicContact CD1-CZ 3.66Å; Y250-F252 AromaticContact CE1-CD1 3.8Å; Y250-F252 HydrophobicContact CE1-CD1 3.8Å; Y250-F252 AromaticContact CE1-CE1 3.95Å; Y250-F252 HydrophobicContact CE1-CE1 3.95Å; Y250-F252 HydrophobicContact CE1-CG 4.27Å; Y250-F252 HydrophobicContact CG-CZ 4.49Å; Y250-D270 HydrophobicContact CE2-CB 3.92Å; Y250-H271 HydrophobicContact CD2-CB 4.14Å; Y250-Q274 HydrophobicContact CD2-CB 4.39Å; Y250-Q274 HydrophobicContact CE2-CB 4.2Å
251	R	70.3	Confident	72	Confident	116 Å²	116	77.6 Å²	77.6	44%	0.438	42%	0.415	S	S	.	.			trans	-92.2	115.3	172.3	-79.5	-174.7	56.3	119.7	10.6	108.4	E134 D253	E134-R251 IonicContact OE1-CZ 2.88Å; E134-R251 IonicContact OE1-NH1 3.96Å; E134-R251 PolarHBondContact OE1-NH1 3.17Å; E134-R251 IonicContact OE1-NH2 3.85Å; E134-R251 PolarHBondContact OE1-NH2 3.22Å; R251-D253 IonicContact CZ-OD1 2.8Å; R251-D253 IonicContact NE-OD1 3.91Å; R251-D253 PolarHBondContact NE-OD1 2.82Å; R251-D253 VanDerWaalsContact NE-OD1 3.15Å; R251-D253 IonicContact NE-OD2 2.79Å; R251-D253 IonicContact NH2-OD1 2.72Å; R251-D253 PolarHBondContact NH2-OD1 3.21Å; R251-D253 IonicContact NH2-OD2 3.14Å; R251-D253 PolarHBondContact O-N 2.85Å
252	F	65.7	Low	70.9	Confident	73 Å²	73	76.8 Å²	76.8	32%	0.32	42%	0.418	S	S	.	.			trans	-82.2	68	175.1	-58.6	-91.1	0	0	0	109.8	Y250 G254 Y255 Y257 Y260	Y250-F252 AromaticContact CD1-CD1 3.67Å; Y250-F252 HydrophobicContact CD1-CD1 3.67Å; Y250-F252 HydrophobicContact CD1-CD2 4.11Å; Y250-F252 AromaticContact CD1-CE1 3.52Å; Y250-F252 HydrophobicContact CD1-CE1 3.52Å; Y250-F252 AromaticContact CD1-CE2 3.97Å; Y250-F252 HydrophobicContact CD1-CE2 3.97Å; Y250-F252 AromaticContact CD1-CG 3.96Å; Y250-F252 HydrophobicContact CD1-CG 3.96Å; Y250-F252 AromaticContact CD1-CZ 3.66Å; Y250-F252 HydrophobicContact CD1-CZ 3.66Å; Y250-F252 AromaticContact CE1-CD1 3.8Å; Y250-F252 HydrophobicContact CE1-CD1 3.8Å; Y250-F252 AromaticContact CE1-CE1 3.95Å; Y250-F252 HydrophobicContact CE1-CE1 3.95Å; Y250-F252 HydrophobicContact CE1-CG 4.27Å; Y250-F252 HydrophobicContact CG-CZ 4.49Å; F252-G254 PolarHBondContact O-N 2.79Å; F252-Y255 VanDerWaalsContact CB-O 3.3Å; F252-Y255 WeakPolarHBondContact CB-O 3.44Å; F252-Y255 VanDerWaalsContact O-O 3.11Å; F252-Y257 AromaticContact CE1-CD2 3.92Å; F252-Y257 HydrophobicContact CE1-CD2 3.92Å; F252-Y257 HydrophobicContact CE2-CD2 4.06Å; F252-Y257 AromaticContact CZ-CD2 3.52Å; F252-Y257 HydrophobicContact CZ-CD2 3.52Å; F252-Y257 HydrophobicContact CZ-CE2 4.28Å; F252-Y257 HydrophobicContact CZ-CG 4.44Å; F252-Y260 HydrophobicContact CD1-CG 4.23Å; F252-Y260 AromaticContact CE1-CD1 3.8Å; F252-Y260 HydrophobicContact CE1-CD1 3.8Å; F252-Y260 HydrophobicContact CE1-CD2 4.42Å; F252-Y260 HydrophobicContact CE1-CE1 4.41Å; F252-Y260 AromaticContact CE1-CG 3.8Å; F252-Y260 HydrophobicContact CE1-CG 3.8Å
253	D	54.5	Low	70.3	Confident	108 Å²	108	80.3 Å²	80.3	58%	0.578	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	119.3	176.5	-66.9	-22.4	0	0	0	109	R251	R251-D253 IonicContact CZ-OD1 2.8Å; R251-D253 IonicContact NE-OD1 3.91Å; R251-D253 PolarHBondContact NE-OD1 2.82Å; R251-D253 VanDerWaalsContact NE-OD1 3.15Å; R251-D253 IonicContact NE-OD2 2.79Å; R251-D253 IonicContact NH2-OD1 2.72Å; R251-D253 PolarHBondContact NH2-OD1 3.21Å; R251-D253 IonicContact NH2-OD2 3.14Å; R251-D253 PolarHBondContact O-N 2.85Å
254	G	46.7	Very low	69.4	Low	77 Å²	77	84.6 Å²	84.6	79%	0.794	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	-9.3	175.7	0	0	0	0	0	117.3	F252	F252-G254 PolarHBondContact O-N 2.79Å
255	Y	47.7	Very low	68.6	Low	173 Å²	173	90.6 Å²	90.6	68%	0.678	49%	0.485	S	S	*	.	S	Bend	trans	-142.4	156.5	-179.9	-61	-80.8	0	0	0	111.8	F252	F252-Y255 VanDerWaalsContact CB-O 3.3Å; F252-Y255 WeakPolarHBondContact CB-O 3.44Å; F252-Y255 VanDerWaalsContact O-O 3.11Å
256	T	49.3	Very low	68	Low	79 Å²	79	93 Å²	93	49%	0.485	50%	0.495	S	S	.	.			trans	-83.3	147.1	174.5	-40.6	0	0	0	0	110.6	M258 E259 Y260	T256-M258 HydrophobicContact CG2-CB 4.38Å; T256-M258 PolarHBondContact O-N 2.72Å; T256-E259 WeakPolarHBondContact CA-OE2 3.45Å; T256-E259 WeakPolarHBondContact CB-OE2 3.24Å; T256-E259 PolarHBondContact N-OE2 2.94Å; T256-E259 WeakPolarHBondContact O-CB 3.26Å; T256-E259 PolarHBondContact O-N 3.14Å; T256-E259 PolarHBondContact OG1-OE2 3.17Å; T256-Y260 PolarHBondContact O-N 3.19Å
257	Y	51.6	Low	67.4	Low	168 Å²	168	94.2 Å²	94.2	66%	0.659	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-50.9	-32.3	171.2	172.1	-110.8	0	0	0	113.6	F252 E259 Y260	F252-Y257 AromaticContact CE1-CD2 3.92Å; F252-Y257 HydrophobicContact CE1-CD2 3.92Å; F252-Y257 HydrophobicContact CE2-CD2 4.06Å; F252-Y257 AromaticContact CZ-CD2 3.52Å; F252-Y257 HydrophobicContact CZ-CD2 3.52Å; F252-Y257 HydrophobicContact CZ-CE2 4.28Å; F252-Y257 HydrophobicContact CZ-CG 4.44Å; Y257-E259 VanDerWaalsContact C-N 3.25Å; Y257-E259 PolarHBondContact O-N 3.19Å; Y257-Y260 PolarHBondContact O-N 2.76Å
258	M	55.5	Low	67	Low	178 Å²	178	95.1 Å²	95.1	88%	0.877	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-71.5	-15.9	177.8	-62.8	-175.7	-175	0	0	114.2	T256	T256-M258 HydrophobicContact CG2-CB 4.38Å; T256-M258 PolarHBondContact O-N 2.72Å
259	E	58.4	Low	67.3	Low	123 Å²	123	95.2 Å²	95.2	58%	0.575	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-98.2	-11.1	179.9	-60.7	168.2	126.1	0	0	111.6	T256 Y257 S261	T256-E259 WeakPolarHBondContact CA-OE2 3.45Å; T256-E259 WeakPolarHBondContact CB-OE2 3.24Å; T256-E259 PolarHBondContact N-OE2 2.94Å; T256-E259 WeakPolarHBondContact O-CB 3.26Å; T256-E259 PolarHBondContact O-N 3.14Å; T256-E259 PolarHBondContact OG1-OE2 3.17Å; Y257-E259 VanDerWaalsContact C-N 3.25Å; Y257-E259 PolarHBondContact O-N 3.19Å; E259-S261 PolarHBondContact O-N 3.26Å; E259-S261 VanDerWaalsContact O-N 3.1Å
260	Y	64.6	Low	67.6	Low	65 Å²	65	93.8 Å²	93.8	26%	0.255	48%	0.48	S	S	.	.			trans	-83.9	82.5	-175	-172.4	-105.1	0	0	0	112.5	F252 T256 Y257 A262 A267 D270	F252-Y260 HydrophobicContact CD1-CG 4.23Å; F252-Y260 AromaticContact CE1-CD1 3.8Å; F252-Y260 HydrophobicContact CE1-CD1 3.8Å; F252-Y260 HydrophobicContact CE1-CD2 4.42Å; F252-Y260 HydrophobicContact CE1-CE1 4.41Å; F252-Y260 AromaticContact CE1-CG 3.8Å; F252-Y260 HydrophobicContact CE1-CG 3.8Å; T256-Y260 PolarHBondContact O-N 3.19Å; Y257-Y260 PolarHBondContact O-N 2.76Å; Y260-A262 HydrophobicContact CD1-CB 4.1Å; Y260-A262 HydrophobicContact CE1-CB 3.43Å; Y260-A262 VanDerWaalsContact CE1-CB 3.43Å; Y260-A262 HydrophobicContact CE2-CB 4.13Å; Y260-A262 VanDerWaalsContact CZ-CB 3.44Å; Y260-A262 PolarHBondContact O-N 2.79Å; Y260-A262 WeakPolarHBondContact OH-CB 3.31Å; Y260-A267 HydrophobicContact CE1-CB 4.33Å; Y260-A267 WeakPolarHBondContact OH-CA 3.47Å; Y260-D270 WeakPolarHBondContact CE2-OD2 3.35Å; Y260-D270 PolarHBondContact OH-OD2 3.48Å
261	S	67.6	Low	68.2	Low	120 Å²	120	92 Å²	92	84%	0.839	48%	0.475	S	S	*	.			trans	-91.5	75.4	176.7	66.8	0	0	0	0	112.6	E259	E259-S261 PolarHBondContact O-N 3.26Å; E259-S261 VanDerWaalsContact O-N 3.1Å
262	A	74.1	Confident	69	Low	36 Å²	36	88.6 Å²	88.6	30%	0.298	46%	0.462	S	S	.	.			trans	-103.9	148.1	177.5	0	0	0	0	0	112.8	Y260 Q266 A267	Y260-A262 HydrophobicContact CD1-CB 4.1Å; Y260-A262 HydrophobicContact CE1-CB 3.43Å; Y260-A262 VanDerWaalsContact CE1-CB 3.43Å; Y260-A262 HydrophobicContact CE2-CB 4.13Å; Y260-A262 VanDerWaalsContact CZ-CB 3.44Å; Y260-A262 PolarHBondContact O-N 2.79Å; Y260-A262 WeakPolarHBondContact OH-CB 3.31Å; A262-Q266 HydrophobicContact CB-CB 3.84Å; A262-A267 HydrophobicContact CB-CB 4.23Å
263	D	82.6	Confident	70.1	Confident	83 Å²	83	85.7 Å²	85.7	44%	0.444	45%	0.45	S	S	.	.			trans	-75.7	173.3	163.2	78.8	46.1	0	0	0	112	F265 Q266 A267	D263-F265 VanDerWaalsContact C-N 3.32Å; D263-F265 PolarHBondContact O-N 2.83Å; D263-F265 WeakPolarHBondContact OD1-CA 3.48Å; D263-F265 WeakPolarHBondContact OD1-CB 3.26Å; D263-F265 PolarHBondContact OD1-N 2.93Å; D263-Q266 PolarHBondContact O-N 2.01Å; D263-Q266 PolarHBondContact OD1-N 3.15Å; D263-A267 VanDerWaalsContact O-CB 3.3Å; D263-A267 WeakPolarHBondContact O-CB 3.43Å; D263-A267 PolarHBondContact O-N 3.2Å
264	L	77.1	Confident	71.7	Confident	115 Å²	115	82.9 Å²	82.9	60%	0.602	43%	0.434	S	S	*	.	H	α-helix	trans	-60	-38.4	-177.5	179.2	62.5	0	0	0	113.3	M268	L264-M268 HydrophobicContact CD1-CG 4.23Å; L264-M268 HydrophobicContact CD1-SD 4.19Å; L264-M268 WeakPolarHBondContact O-CB 3.39Å; L264-M268 VanDerWaalsContact O-CG 3.28Å; L264-M268 WeakPolarHBondContact O-CG 3.18Å; L264-M268 PolarHBondContact O-N 3.06Å
265	F	77.6	Confident	73.8	Confident	133 Å²	133	79.3 Å²	79.3	58%	0.583	40%	0.396	S	S	*	.	H	α-helix	trans	-75.7	-36	-179.8	-63.9	-82.5	0	0	0	111.4	F106 D263 T269	F106-F265 HydrophobicContact CE2-CE1 4.04Å; F106-F265 HydrophobicContact CZ-CD1 4.14Å; F106-F265 AromaticContact CZ-CE1 3.81Å; F106-F265 HydrophobicContact CZ-CE1 3.81Å; D263-F265 VanDerWaalsContact C-N 3.32Å; D263-F265 PolarHBondContact O-N 2.83Å; D263-F265 WeakPolarHBondContact OD1-CA 3.48Å; D263-F265 WeakPolarHBondContact OD1-CB 3.26Å; D263-F265 PolarHBondContact OD1-N 2.93Å; F265-T269 VanDerWaalsContact O-CB 3.25Å; F265-T269 WeakPolarHBondContact O-CB 3.42Å; F265-T269 PolarHBondContact O-N 3.15Å; F265-T269 PolarHBondContact O-OG1 3.01Å
266	Q	79.6	Confident	76	Confident	97 Å²	97	72 Å²	72	45%	0.453	37%	0.369	S	S	.	.	H	α-helix	trans	-63.3	-52.9	171.3	-68.3	176.3	-39.6	0	0	110.8	A262 D263 M268 T269 D270	A262-Q266 HydrophobicContact CB-CB 3.84Å; D263-Q266 PolarHBondContact O-N 2.01Å; D263-Q266 PolarHBondContact OD1-N 3.15Å; Q266-M268 VanDerWaalsContact C-N 3.27Å; Q266-M268 PolarHBondContact O-N 3.01Å; Q266-T269 WeakPolarHBondContact O-CB 3.29Å; Q266-T269 PolarHBondContact O-N 2.99Å; Q266-D270 PolarHBondContact O-N 3.38Å
267	A	80.7	Confident	78	Confident	36 Å²	36	71.6 Å²	71.6	30%	0.298	36%	0.363	S	S	.	.	H	α-helix	trans	-58	-37.1	179.1	0	0	0	0	0	113.3	Y260 A262 D263 H271	Y260-A267 HydrophobicContact CE1-CB 4.33Å; Y260-A267 WeakPolarHBondContact OH-CA 3.47Å; A262-A267 HydrophobicContact CB-CB 4.23Å; D263-A267 VanDerWaalsContact O-CB 3.3Å; D263-A267 WeakPolarHBondContact O-CB 3.43Å; D263-A267 PolarHBondContact O-N 3.2Å; A267-H271 VanDerWaalsContact O-CB 3.31Å; A267-H271 WeakPolarHBondContact O-CB 2.95Å; A267-H271 PolarHBondContact O-N 2.94Å
268	M	78.8	Confident	80.1	Confident	36 Å²	36	66 Å²	66	18%	0.177	35%	0.348	C	S	.	.	H	α-helix	trans	-77.2	-34.6	174.3	-69.4	-161.8	70	0	0	113.1	F106 I109 L264 Q266 Y272	F106-M268 HydrophobicContact CD1-CE 3.63Å; F106-M268 HydrophobicContact CD1-SD 3.46Å; F106-M268 WeakPolarHBondContact CD1-SD 3.18Å; F106-M268 HydrophobicContact CE1-CE 4.02Å; F106-M268 HydrophobicContact CE1-SD 3.68Å; F106-M268 HydrophobicContact CG-SD 4.49Å; I109-M268 HydrophobicContact CB-CE 4.29Å; I109-M268 HydrophobicContact CD1-CE 3.54Å; I109-M268 HydrophobicContact CG2-CE 3.87Å; L264-M268 HydrophobicContact CD1-CG 4.23Å; L264-M268 HydrophobicContact CD1-SD 4.19Å; L264-M268 WeakPolarHBondContact O-CB 3.39Å; L264-M268 VanDerWaalsContact O-CG 3.28Å; L264-M268 WeakPolarHBondContact O-CG 3.18Å; L264-M268 PolarHBondContact O-N 3.06Å; Q266-M268 VanDerWaalsContact C-N 3.27Å; Q266-M268 PolarHBondContact O-N 3.01Å; M268-Y272 HydrophobicContact CE-CE2 4.28Å; M268-Y272 WeakPolarHBondContact O-CB 3.05Å; M268-Y272 WeakPolarHBondContact O-CD2 3.41Å; M268-Y272 PolarHBondContact O-N 2.97Å
269	T	82.1	Confident	81.9	Confident	41 Å²	41	58.7 Å²	58.7	25%	0.252	31%	0.312	S	S	.	.	H	α-helix	trans	-61.5	-54.2	173.8	-63.3	0	0	0	0	110.9	F265 Q266 H271 Y272 M273 F383	F265-T269 VanDerWaalsContact O-CB 3.25Å; F265-T269 WeakPolarHBondContact O-CB 3.42Å; F265-T269 PolarHBondContact O-N 3.15Å; F265-T269 PolarHBondContact O-OG1 3.01Å; Q266-T269 WeakPolarHBondContact O-CB 3.29Å; Q266-T269 PolarHBondContact O-N 2.99Å; T269-H271 VanDerWaalsContact C-N 3.31Å; T269-H271 PolarHBondContact O-N 3Å; T269-Y272 PolarHBondContact O-N 3.1Å; T269-M273 HydrophobicContact CG2-CG 4.23Å; T269-M273 WeakPolarHBondContact O-CB 3.43Å; T269-M273 VanDerWaalsContact O-CG 3.24Å; T269-M273 WeakPolarHBondContact O-CG 3.44Å; T269-M273 PolarHBondContact O-N 3.28Å; T269-F383 HydrophobicContact CG2-CD2 3.69Å; T269-F383 HydrophobicContact CG2-CE2 3.63Å; T269-F383 HydrophobicContact CG2-CG 4.42Å; T269-F383 HydrophobicContact CG2-CZ 4.3Å
270	D	83.4	Confident	83.7	Confident	33 Å²	33	52.9 Å²	52.9	18%	0.176	28%	0.284	C	S	.	.	H	α-helix	trans	-59.1	-44.3	-178.2	-65.2	-9.8	0	0	0	111	Y250 Y260 Q266 M273 Q274 I385	Y250-D270 HydrophobicContact CE2-CB 3.92Å; Y260-D270 WeakPolarHBondContact CE2-OD2 3.35Å; Y260-D270 PolarHBondContact OH-OD2 3.48Å; Q266-D270 PolarHBondContact O-N 3.38Å; D270-M273 PolarHBondContact O-N 3.34Å; D270-Q274 PolarHBondContact O-N 3.14Å; D270-I385 WeakPolarHBondContact OD1-CD1 3.18Å
271	H	85.2	Confident	85.2	Confident	41 Å²	41	54.8 Å²	54.8	19%	0.19	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-43.4	176.6	-179.8	61.1	0	0	0	113.2	G248 Y250 A267 T269 M273 Q274 L275	G248-H271 PolarHBondContact O-CE1 3.25Å; Y250-H271 HydrophobicContact CD2-CB 4.14Å; A267-H271 VanDerWaalsContact O-CB 3.31Å; A267-H271 WeakPolarHBondContact O-CB 2.95Å; A267-H271 PolarHBondContact O-N 2.94Å; T269-H271 VanDerWaalsContact C-N 3.31Å; T269-H271 PolarHBondContact O-N 3Å; H271-M273 VanDerWaalsContact C-N 3.35Å; H271-Q274 PolarHBondContact O-N 2.78Å; H271-L275 VanDerWaalsContact O-CB 3.32Å; H271-L275 WeakPolarHBondContact O-CB 3.24Å; H271-L275 PolarHBondContact O-N 3.08Å
272	Y	86.5	Confident	86.5	Confident	45 Å²	45	49 Å²	49	18%	0.176	26%	0.255	C	S	.	.	H	α-helix	trans	-70.6	-30.9	177	-91.4	-94.5	0	0	0	112.8	I109 M268 T269 L275 L276	I109-Y272 HydrophobicContact CD1-CE2 3.75Å; I109-Y272 HydrophobicContact CG1-CE2 4.4Å; I109-Y272 WeakPolarHBondContact CG1-OH 3.5Å; I109-Y272 HydrophobicContact CG2-CE2 4.07Å; M268-Y272 HydrophobicContact CE-CE2 4.28Å; M268-Y272 WeakPolarHBondContact O-CB 3.05Å; M268-Y272 WeakPolarHBondContact O-CD2 3.41Å; M268-Y272 PolarHBondContact O-N 2.97Å; T269-Y272 PolarHBondContact O-N 3.1Å; Y272-L275 HydrophobicContact CD1-CD2 4.03Å; Y272-L275 HydrophobicContact CE1-CD2 3.72Å; Y272-L275 PolarHBondContact O-N 3.11Å; Y272-L276 VanDerWaalsContact O-CB 3.31Å; Y272-L276 WeakPolarHBondContact O-CB 3.44Å; Y272-L276 VanDerWaalsContact O-CG 3.23Å; Y272-L276 WeakPolarHBondContact O-CG 3.35Å; Y272-L276 PolarHBondContact O-N 2.79Å
273	M	88.1	Confident	87.5	Confident	13 Å²	13	47.9 Å²	47.9	6%	0.064	25%	0.245	C	C	.	.	H	α-helix	trans	-65.3	-45.7	172.2	-73	-67.9	-65.6	0	0	111.6	T269 D270 H271 L275 L276 N277 L376 I385	T269-M273 HydrophobicContact CG2-CG 4.23Å; T269-M273 WeakPolarHBondContact O-CB 3.43Å; T269-M273 VanDerWaalsContact O-CG 3.24Å; T269-M273 WeakPolarHBondContact O-CG 3.44Å; T269-M273 PolarHBondContact O-N 3.28Å; D270-M273 PolarHBondContact O-N 3.34Å; H271-M273 VanDerWaalsContact C-N 3.35Å; M273-L275 VanDerWaalsContact C-N 3.35Å; M273-L275 PolarHBondContact O-N 2.94Å; M273-L276 PolarHBondContact O-N 2.97Å; M273-N277 VanDerWaalsContact O-CB 3.24Å; M273-N277 WeakPolarHBondContact O-CB 3.34Å; M273-N277 PolarHBondContact O-N 3.39Å; M273-L376 HydrophobicContact CE-CD2 3.82Å; M273-L376 WeakPolarHBondContact CE-O 3.3Å; M273-L376 HydrophobicContact SD-CD2 4Å; M273-I385 HydrophobicContact CB-CD1 4.16Å; M273-I385 HydrophobicContact CB-CG2 4.18Å; M273-I385 HydrophobicContact CE-CB 3.96Å; M273-I385 HydrophobicContact CE-CD1 4.49Å; M273-I385 HydrophobicContact CE-CG2 3.76Å; M273-I385 HydrophobicContact CG-CD1 3.85Å
274	Q	89	Confident	88.1	Confident	49 Å²	49	45.3 Å²	45.3	23%	0.229	23%	0.232	C	C	.	.	H	α-helix	trans	-57.8	-47.5	171.6	-174.8	-156.9	-53.3	0	0	111.3	G249 Y250 D270 H271 L276 N277 C278	G249-Q274 PolarHBondContact O-NE2 2.92Å; Y250-Q274 HydrophobicContact CD2-CB 4.39Å; Y250-Q274 HydrophobicContact CE2-CB 4.2Å; D270-Q274 PolarHBondContact O-N 3.14Å; H271-Q274 PolarHBondContact O-N 2.78Å; Q274-L276 PolarHBondContact O-N 2.98Å; Q274-N277 PolarHBondContact O-N 2.99Å; Q274-C278 WeakPolarHBondContact O-CB 3.32Å; Q274-C278 PolarHBondContact O-N 2.76Å
275	L	90.7	Very high	88.9	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-61.3	-44.8	-178.6	-178.5	63.8	0	0	0	112.1	C246 E247 H271 Y272 M273 K279	C246-L275 VanDerWaalsContact C-CD1 3.47Å; C246-L275 HydrophobicContact CB-CD1 3.96Å; C246-L275 WeakPolarHBondContact O-CD1 3.19Å; E247-L275 HydrophobicContact CG-CD1 4.4Å; H271-L275 VanDerWaalsContact O-CB 3.32Å; H271-L275 WeakPolarHBondContact O-CB 3.24Å; H271-L275 PolarHBondContact O-N 3.08Å; Y272-L275 HydrophobicContact CD1-CD2 4.03Å; Y272-L275 HydrophobicContact CE1-CD2 3.72Å; Y272-L275 PolarHBondContact O-N 3.11Å; M273-L275 VanDerWaalsContact C-N 3.35Å; M273-L275 PolarHBondContact O-N 2.94Å; L275-K279 HydrophobicContact CD1-CD 4.34Å; L275-K279 HydrophobicContact CG-CD 4.18Å; L275-K279 VanDerWaalsContact O-CB 3.3Å; L275-K279 WeakPolarHBondContact O-CB 3.38Å; L275-K279 WeakPolarHBondContact O-CD 3.26Å; L275-K279 WeakPolarHBondContact O-CG 3.19Å; L275-K279 PolarHBondContact O-N 3.31Å; L275-K279 VanDerWaalsContact O-N 3.07Å
276	L	92.9	Very high	89.8	Confident	20 Å²	20	37.5 Å²	37.5	11%	0.105	20%	0.195	C	C	.	.	H	α-helix	trans	-69.1	-41.6	177.8	-72.6	178	0	0	0	111.9	Y272 M273 Q274 K279 Q280 E372 L375 L376	Y272-L276 VanDerWaalsContact O-CB 3.31Å; Y272-L276 WeakPolarHBondContact O-CB 3.44Å; Y272-L276 VanDerWaalsContact O-CG 3.23Å; Y272-L276 WeakPolarHBondContact O-CG 3.35Å; Y272-L276 PolarHBondContact O-N 2.79Å; M273-L276 PolarHBondContact O-N 2.97Å; Q274-L276 PolarHBondContact O-N 2.98Å; L276-K279 PolarHBondContact O-N 2.87Å; L276-K279 VanDerWaalsContact O-N 3.16Å; L276-Q280 PolarHBondContact O-N 2.84Å; L276-E372 HydrophobicContact CD2-CB 4.05Å; L276-E372 HydrophobicContact CD2-CG 3.66Å; L276-L375 HydrophobicContact CD1-CB 3.99Å; L276-L375 HydrophobicContact CD1-CD1 4.18Å; L276-L376 HydrophobicContact CB-CD1 4.03Å; L276-L376 HydrophobicContact CB-CD2 3.78Å; L276-L376 HydrophobicContact CB-CG 3.9Å
277	N	92.9	Very high	90.5	Very high	70 Å²	70	33.1 Å²	33.1	37%	0.374	18%	0.175	S	C	.	.	H	α-helix	trans	-61.1	-47.7	178	-173.1	40.7	0	0	0	111.2	M273 Q274 K279 Q280 H281 L376	M273-N277 VanDerWaalsContact O-CB 3.24Å; M273-N277 WeakPolarHBondContact O-CB 3.34Å; M273-N277 PolarHBondContact O-N 3.39Å; Q274-N277 PolarHBondContact O-N 2.99Å; N277-K279 VanDerWaalsContact C-N 3.33Å; N277-K279 PolarHBondContact O-N 2.72Å; N277-Q280 PolarHBondContact O-N 3.23Å; N277-H281 WeakPolarHBondContact O-CB 3.49Å; N277-H281 PolarHBondContact O-N 2.9Å; N277-L376 HydrophobicContact CB-CD2 4.17Å
278	C	93.8	Very high	91	Very high	50 Å²	50	33.5 Å²	33.5	34%	0.338	18%	0.175	S	C	.	.	H	α-helix	trans	-57.4	-44.8	172.2	178	0	0	0	0	112	C246 Q274 Q280 H281 C282	C246-C278 WeakPolarHBondContact CA-SG 3.2Å; C246-C278 HydrophobicContact CB-CB 3.7Å; C246-C278 WeakPolarHBondContact CB-SG 3.42Å; C246-C278 WeakPolarHBondContact SG-CB 3.48Å; C246-C278 PolarHBondContact SG-O 3.2Å; C246-C278 CovalentContact SG-SG 2.04Å; C246-C278 PolarHBondContact SG-SG 2.83Å; Q274-C278 WeakPolarHBondContact O-CB 3.32Å; Q274-C278 PolarHBondContact O-N 2.76Å; C278-Q280 VanDerWaalsContact C-N 3.3Å; C278-Q280 PolarHBondContact O-N 3.38Å; C278-H281 PolarHBondContact O-N 3.36Å; C278-H281 VanDerWaalsContact O-N 3.11Å; C278-C282 PolarHBondContact O-N 3.21Å; C278-C282 VanDerWaalsContact O-N 3.15Å
279	K	95	Very high	91.4	Very high	25 Å²	25	33.1 Å²	33.1	11%	0.109	18%	0.178	C	C	.	.	H	α-helix	trans	-66	-26.7	-179.1	-82.6	174.5	-178.5	172.1	0	114.4	R243 C246 E247 L275 L276 N277	R243-K279 HydrophobicContact CB-CG 4.14Å; R243-K279 HydrophobicContact CG-CB 4.28Å; R243-K279 HydrophobicContact CG-CG 4.13Å; R243-K279 PolarHBondContact NH1-O 3.19Å; R243-K279 WeakPolarHBondContact O-CE 3.41Å; C246-K279 HydrophobicContact CB-CG 3.89Å; C246-K279 PolarHBondContact SG-N 2.85Å; E247-K279 VanDerWaalsContact OE1-CE 3.29Å; E247-K279 WeakPolarHBondContact OE1-CE 3.46Å; E247-K279 IonicContact OE1-NZ 3.24Å; E247-K279 PolarHBondContact OE1-NZ 3.48Å; L275-K279 HydrophobicContact CD1-CD 4.34Å; L275-K279 HydrophobicContact CG-CD 4.18Å; L275-K279 VanDerWaalsContact O-CB 3.3Å; L275-K279 WeakPolarHBondContact O-CB 3.38Å; L275-K279 WeakPolarHBondContact O-CD 3.26Å; L275-K279 WeakPolarHBondContact O-CG 3.19Å; L275-K279 PolarHBondContact O-N 3.31Å; L275-K279 VanDerWaalsContact O-N 3.07Å; L276-K279 PolarHBondContact O-N 2.87Å; L276-K279 VanDerWaalsContact O-N 3.16Å; N277-K279 VanDerWaalsContact C-N 3.33Å; N277-K279 PolarHBondContact O-N 2.72Å
280	Q	95.2	Very high	91.5	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-79.4	-41.6	168.2	-65.9	-54.5	-61.3	0	0	111.1	L276 N277 C278 C282 S283 S369 E372 K373 L376 F387 P390	L276-Q280 PolarHBondContact O-N 2.84Å; N277-Q280 PolarHBondContact O-N 3.23Å; C278-Q280 VanDerWaalsContact C-N 3.3Å; C278-Q280 PolarHBondContact O-N 3.38Å; Q280-C282 PolarHBondContact O-N 2.52Å; Q280-S283 PolarHBondContact O-N 2.87Å; Q280-S283 PolarHBondContact O-OG 2.91Å; Q280-S283 VanDerWaalsContact O-OG 3.08Å; Q280-S369 PolarHBondContact OE1-OG 3.03Å; Q280-E372 PolarHBondContact NE2-OE2 3.11Å; Q280-K373 HydrophobicContact CG-CG 4.48Å; Q280-K373 VanDerWaalsContact OE1-CE 3.26Å; Q280-L376 HydrophobicContact CG-CD1 3.78Å; Q280-F387 HydrophobicContact CB-CE2 4.47Å; Q280-P390 HydrophobicContact CB-CG 4.29Å
281	H	95.3	Very high	91	Very high	105 Å²	105	33.2 Å²	33.2	49%	0.486	19%	0.191	S	C	.	.	H	α-helix	trans	-59.1	-18.2	177.7	-162.7	82.8	0	0	0	114.1	N277 C278 S283 V284 E285	N277-H281 WeakPolarHBondContact O-CB 3.49Å; N277-H281 PolarHBondContact O-N 2.9Å; C278-H281 PolarHBondContact O-N 3.36Å; C278-H281 VanDerWaalsContact O-N 3.11Å; H281-S283 PolarHBondContact O-N 3.39Å; H281-V284 WeakPolarHBondContact O-CA 3.47Å; H281-V284 VanDerWaalsContact O-CB 3.24Å; H281-V284 WeakPolarHBondContact O-CB 3.46Å; H281-V284 PolarHBondContact O-N 3.39Å; H281-E285 PolarHBondContact O-N 2.96Å
282	C	96.3	Very high	90.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-55.4	-27.9	170	-72.1	0	0	0	0	114.8	Y239 C242 R243 C278 Q280 V284 L286	Y239-C282 HydrophobicContact CD2-CB 4.02Å; Y239-C282 HydrophobicContact CE2-CB 3.92Å; C242-C282 HydrophobicContact CB-CB 3.83Å; C242-C282 WeakPolarHBondContact CB-SG 3.32Å; C242-C282 WeakPolarHBondContact SG-CA 3.34Å; C242-C282 WeakPolarHBondContact SG-CB 3.22Å; C242-C282 CovalentContact SG-SG 2.04Å; C242-C282 PolarHBondContact SG-SG 3.23Å; R243-C282 HydrophobicContact CG-CB 4.01Å; R243-C282 PolarHBondContact N-SG 3.41Å; R243-C282 VanDerWaalsContact N-SG 3.43Å; C278-C282 PolarHBondContact O-N 3.21Å; C278-C282 VanDerWaalsContact O-N 3.15Å; Q280-C282 PolarHBondContact O-N 2.52Å; C282-V284 VanDerWaalsContact C-N 3.32Å; C282-L286 WeakPolarHBondContact O-CD1 3.46Å; C282-L286 PolarHBondContact O-N 3.23Å
283	S	94.9	Very high	90.4	Very high	11 Å²	11	43.1 Å²	43.1	8%	0.077	24%	0.24	C	C	.	.	H	α-helix	trans	-64.8	-39.9	172.8	61.6	0	0	0	0	111.3	Q280 H281 A287	Q280-S283 PolarHBondContact O-N 2.87Å; Q280-S283 PolarHBondContact O-OG 2.91Å; Q280-S283 VanDerWaalsContact O-OG 3.08Å; H281-S283 PolarHBondContact O-N 3.39Å; S283-A287 VanDerWaalsContact O-CB 3.24Å; S283-A287 WeakPolarHBondContact O-CB 3.48Å; S283-A287 PolarHBondContact O-N 3.42Å
284	V	94.6	Very high	90.2	Very high	29 Å²	29	45.1 Å²	45.1	18%	0.176	26%	0.259	C	S	.	.	H	α-helix	trans	-63.8	-51	173.8	-167.3	0	0	0	0	111	H281 C282 L286 A287 S288 P295 P390	H281-V284 WeakPolarHBondContact O-CA 3.47Å; H281-V284 VanDerWaalsContact O-CB 3.24Å; H281-V284 WeakPolarHBondContact O-CB 3.46Å; H281-V284 PolarHBondContact O-N 3.39Å; C282-V284 VanDerWaalsContact C-N 3.32Å; V284-L286 VanDerWaalsContact C-N 3.27Å; V284-L286 PolarHBondContact O-N 3.41Å; V284-A287 CarbonylContact O-C 3.47Å; V284-A287 PolarHBondContact O-N 2.93Å; V284-S288 PolarHBondContact O-N 2.85Å; V284-S288 PolarHBondContact O-OG 3.04Å; V284-P295 HydrophobicContact CG1-CB 4.4Å; V284-P295 HydrophobicContact CG1-CG 3.56Å; V284-P390 HydrophobicContact CG2-CB 3.29Å; V284-P390 HydrophobicContact CG2-CG 4.35Å
285	E	94.1	Very high	90.3	Very high	81 Å²	81	45 Å²	45	38%	0.379	26%	0.262	S	S	.	.	H	α-helix	trans	-62.7	-33.8	-175	-158	-123.1	108.4	0	0	112.6	K203 H281	K203-E285 PolarHBondContact NZ-O 2.83Å; K203-E285 IonicContact NZ-OE1 2.71Å; K203-E285 PolarHBondContact NZ-OE1 3.36Å; H281-E285 PolarHBondContact O-N 2.96Å
286	L	95.7	Very high	90.2	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-77.8	-30.5	173.4	-85.9	81.4	0	0	0	113.3	H205 M206 Y235 A238 C242 C282 V284 S288	H205-L286 PolarHBondContact NE2-O 2.93Å; M206-L286 WeakPolarHBondContact CE-O 3.41Å; Y235-L286 HydrophobicContact CD2-CB 4.1Å; Y235-L286 HydrophobicContact CD2-CD2 3.42Å; Y235-L286 VanDerWaalsContact CD2-CD2 3.42Å; Y235-L286 HydrophobicContact CD2-CG 4.41Å; Y235-L286 HydrophobicContact CE2-CB 3.71Å; Y235-L286 HydrophobicContact CE2-CD2 3.55Å; Y235-L286 HydrophobicContact CE2-CG 4.3Å; Y235-L286 HydrophobicContact CG-CD2 4.04Å; Y235-L286 WeakPolarHBondContact O-CD2 3.21Å; A238-L286 HydrophobicContact CB-CD2 3.79Å; A238-L286 HydrophobicContact CB-CG 4.32Å; C242-L286 HydrophobicContact CB-CD1 4.08Å; C282-L286 WeakPolarHBondContact O-CD1 3.46Å; C282-L286 PolarHBondContact O-N 3.23Å; V284-L286 VanDerWaalsContact C-N 3.27Å; V284-L286 PolarHBondContact O-N 3.41Å; L286-S288 VanDerWaalsContact C-N 3.35Å
287	A	95.2	Very high	90	Very high	5 Å²	5	53.8 Å²	53.8	4%	0.041	30%	0.302	C	S	.	.	H	α-helix	trans	-78.3	-16	174.6	0	0	0	0	0	113.6	S283 V284 P295 F296 F299	S283-A287 VanDerWaalsContact O-CB 3.24Å; S283-A287 WeakPolarHBondContact O-CB 3.48Å; S283-A287 PolarHBondContact O-N 3.42Å; V284-A287 CarbonylContact O-C 3.47Å; V284-A287 PolarHBondContact O-N 2.93Å; A287-P295 HydrophobicContact CB-CB 3.93Å; A287-F296 WeakPolarHBondContact O-CD2 3.43Å; A287-F296 PolarHBondContact O-N 3.43Å; A287-F299 HydrophobicContact CB-CB 3.64Å; A287-F299 HydrophobicContact CB-CD1 4.18Å; A287-F299 HydrophobicContact CB-CG 3.97Å
288	S	92.1	Very high	89.9	Confident	43 Å²	43	52.7 Å²	52.7	30%	0.301	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-78	123.7	175.3	-71.1	0	0	0	0	112.1	V284 L286	V284-S288 PolarHBondContact O-N 2.85Å; V284-S288 PolarHBondContact O-OG 3.04Å; L286-S288 VanDerWaalsContact C-N 3.35Å
289	A	86.9	Confident	90	Very high	28 Å²	28	50.8 Å²	50.8	23%	0.231	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-101.5	154.7	169.8	0	0	0	0	0	110.3	M206 F296	M206-A289 HydrophobicContact CE-CB 4.29Å; M206-A289 HydrophobicContact CG-CB 4.43Å; M206-A289 HydrophobicContact SD-CB 4.39Å; A289-F296 HydrophobicContact CB-CE2 4.15Å
290	A	83.5	Confident	90.1	Very high	42 Å²	42	49.8 Å²	49.8	35%	0.347	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	141.9	174.2	0	0	0	0	0	110.4	Q171 A172 R292	Q171-A290 HydrophobicContact CB-CB 4.34Å; Q171-A290 CarbonylContact O-C 3.55Å; Q171-A290 WeakPolarHBondContact O-CB 3.23Å; A172-A290 HydrophobicContact CB-CB 4.48Å; A290-R292 VanDerWaalsContact C-N 3.32Å; A290-R292 PolarHBondContact O-N 3.03Å
291	G	73.9	Confident	90.2	Very high	35 Å²	35	49.9 Å²	49.9	36%	0.361	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	23.9	173.8	0	0	0	0	0	115.3	Q171	Q171-G291 WeakPolarHBondContact O-CA 3.25Å; Q171-G291 PolarHBondContact O-N 3.14Å
292	R	80.6	Confident	90.2	Very high	113 Å²	113	46 Å²	46	43%	0.426	26%	0.263	S	S	.	.			trans	-132.2	122.1	174.9	-174.1	-175.4	151.3	145.8	-1.3	109.8	A290 A294 P295	A290-R292 VanDerWaalsContact C-N 3.32Å; A290-R292 PolarHBondContact O-N 3.03Å; R292-A294 VanDerWaalsContact C-N 3.25Å; R292-A294 VanDerWaalsContact CD-O 3.29Å; R292-A294 WeakPolarHBondContact CD-O 3.41Å; R292-A294 VanDerWaalsContact CG-O 3.29Å; R292-A294 WeakPolarHBondContact CG-O 3.38Å; R292-A294 PolarHBondContact NE-O 3.36Å; R292-A294 PolarHBondContact O-N 2.71Å; R292-P295 PolarHBondContact NH2-O 2.85Å
293	D	77.3	Confident	90.3	Very high	181 Å²	181	46 Å²	46	97%	0.968	26%	0.263	S	S	*	.	S	Bend	trans	-64.8	-26.5	-172.2	-50.9	-53.4	0	0	0	114.4
294	A	84.7	Confident	90.4	Very high	55 Å²	55	45.5 Å²	45.5	46%	0.455	26%	0.26	S	S	.	.	S	Bend	trans	-121.9	143.3	-179.8	0	0	0	0	0	110.7	R292	R292-A294 VanDerWaalsContact C-N 3.25Å; R292-A294 VanDerWaalsContact CD-O 3.29Å; R292-A294 WeakPolarHBondContact CD-O 3.41Å; R292-A294 VanDerWaalsContact CG-O 3.29Å; R292-A294 WeakPolarHBondContact CG-O 3.38Å; R292-A294 PolarHBondContact NE-O 3.36Å; R292-A294 PolarHBondContact O-N 2.71Å
295	P	90.5	Very high	90.5	Very high	45 Å²	45	47.4 Å²	47.4	29%	0.292	27%	0.269	S	S	.	.			trans	-57	169.5	171.3	-19.2	28.4	0	0	0	113.3	V284 A287 R292 E297	V284-P295 HydrophobicContact CG1-CB 4.4Å; V284-P295 HydrophobicContact CG1-CG 3.56Å; A287-P295 HydrophobicContact CB-CB 3.93Å; R292-P295 PolarHBondContact NH2-O 2.85Å; P295-E297 PolarHBondContact O-N 3.41Å
296	F	89.1	Confident	90.6	Very high	35 Å²	35	46.1 Å²	46.1	15%	0.154	26%	0.261	C	S	.	.			trans	-72	114.3	162.9	-79.2	-89.2	0	0	0	110.5	M206 F209 L210 A287 A289 F299	M206-F296 HydrophobicContact CE-CD2 3.99Å; M206-F296 HydrophobicContact CE-CE2 4.23Å; M206-F296 HydrophobicContact SD-CD2 4.19Å; M206-F296 HydrophobicContact SD-CE2 3.89Å; F209-F296 HydrophobicContact CE1-CD1 4.46Å; F209-F296 HydrophobicContact CE1-CE1 4.39Å; L210-F296 HydrophobicContact CD2-CZ 4.25Å; A287-F296 WeakPolarHBondContact O-CD2 3.43Å; A287-F296 PolarHBondContact O-N 3.43Å; A289-F296 HydrophobicContact CB-CE2 4.15Å; F296-F299 HydrophobicContact CB-CB 3.98Å; F296-F299 HydrophobicContact CB-CD2 3.59Å; F296-F299 HydrophobicContact CB-CE2 4.49Å; F296-F299 HydrophobicContact CB-CG 4.16Å; F296-F299 HydrophobicContact CD2-CD2 4.33Å; F296-F299 HydrophobicContact CD2-CE2 4.45Å; F296-F299 HydrophobicContact CG-CD2 4.02Å; F296-F299 WeakPolarHBondContact O-CB 3.24Å; F296-F299 PolarHBondContact O-N 2.87Å
297	E	88.8	Confident	90.8	Very high	171 Å²	171	46 Å²	46	80%	0.799	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	140.1	168.4	-63.9	179.8	159	0	0	110.6	P295 F299	P295-E297 PolarHBondContact O-N 3.41Å; E297-F299 PolarHBondContact O-N 2.79Å
298	D	91.5	Very high	90.9	Very high	48 Å²	48	45.9 Å²	45.9	26%	0.257	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.9	38.5	-179.2	-84.9	-43.3	0	0	0	114.2	L300 P301 S302 H331 T392	D298-L300 PolarHBondContact O-N 2.63Å; D298-P301 HydrophobicContact CB-CB 4.15Å; D298-P301 HydrophobicContact CB-CG 4.15Å; D298-P301 VanDerWaalsContact O-CD 3.29Å; D298-P301 WeakPolarHBondContact O-CD 3.12Å; D298-S302 VanDerWaalsContact O-CB 3.29Å; D298-S302 WeakPolarHBondContact O-CB 3.47Å; D298-S302 PolarHBondContact O-N 2.97Å; D298-H331 VanDerWaalsContact CG-NE2 3.31Å; D298-H331 IonicContact OD1-NE2 3.05Å; D298-H331 PolarHBondContact OD1-NE2 2.92Å; D298-H331 IonicContact OD2-CD2 3.74Å; D298-H331 IonicContact OD2-CE1 3.43Å; D298-H331 IonicContact OD2-NE2 3.47Å; D298-H331 PolarHBondContact OD2-NE2 3.41Å; D298-T392 PolarHBondContact OD1-OG1 3.48Å; D298-T392 VanDerWaalsContact OD1-OG1 3.11Å; D298-T392 PolarHBondContact OD2-OG1 3.27Å
299	F	95.6	Very high	91	Very high	9 Å²	9	47 Å²	47	4%	0.039	26%	0.258	C	S	.	.	H	α-helix	trans	-52.3	-53.2	-173.8	-175.6	-114.5	0	0	0	113.4	H205 M206 F209 Y235 A287 F296 E297 S302 H303	H205-F299 AromaticContact CD2-CE1 3.69Å; H205-F299 AromaticContact CD2-CZ 3.84Å; M206-F299 HydrophobicContact CE-CD2 4.39Å; M206-F299 HydrophobicContact CE-CE1 4.3Å; M206-F299 HydrophobicContact CE-CE2 3.56Å; M206-F299 HydrophobicContact CE-CZ 3.52Å; M206-F299 HydrophobicContact SD-CE2 3.84Å; M206-F299 HydrophobicContact SD-CZ 4Å; F209-F299 HydrophobicContact CB-CZ 4.43Å; F209-F299 HydrophobicContact CD1-CD2 4.44Å; F209-F299 AromaticContact CD1-CE2 3.54Å; F209-F299 HydrophobicContact CD1-CE2 3.54Å; F209-F299 HydrophobicContact CD1-CZ 4.26Å; F209-F299 HydrophobicContact CD2-CE2 4.26Å; F209-F299 HydrophobicContact CE1-CD2 4.07Å; F209-F299 AromaticContact CE1-CE2 3.61Å; F209-F299 HydrophobicContact CE1-CE2 3.61Å; F209-F299 HydrophobicContact CE2-CE2 4.33Å; F209-F299 AromaticContact CG-CE2 3.87Å; F209-F299 HydrophobicContact CG-CE2 3.87Å; F209-F299 HydrophobicContact CG-CZ 4.23Å; F209-F299 HydrophobicContact CZ-CD2 4.15Å; F209-F299 HydrophobicContact CZ-CE2 4.01Å; Y235-F299 HydrophobicContact CD2-CD1 4.13Å; Y235-F299 AromaticContact CD2-CE1 3.84Å; Y235-F299 HydrophobicContact CD2-CE1 3.84Å; Y235-F299 AromaticContact CE2-CD1 3.94Å; Y235-F299 HydrophobicContact CE2-CD1 3.94Å; Y235-F299 HydrophobicContact CE2-CE1 4.1Å; A287-F299 HydrophobicContact CB-CB 3.64Å; A287-F299 HydrophobicContact CB-CD1 4.18Å; A287-F299 HydrophobicContact CB-CG 3.97Å; F296-F299 HydrophobicContact CB-CB 3.98Å; F296-F299 HydrophobicContact CB-CD2 3.59Å; F296-F299 HydrophobicContact CB-CE2 4.49Å; F296-F299 HydrophobicContact CB-CG 4.16Å; F296-F299 HydrophobicContact CD2-CD2 4.33Å; F296-F299 HydrophobicContact CD2-CE2 4.45Å; F296-F299 HydrophobicContact CG-CD2 4.02Å; F296-F299 WeakPolarHBondContact O-CB 3.24Å; F296-F299 PolarHBondContact O-N 2.87Å; E297-F299 PolarHBondContact O-N 2.79Å; F299-S302 PolarHBondContact O-N 2.96Å; F299-S302 PolarHBondContact O-OG 3.22Å; F299-H303 AromaticContact CE1-CE1 3.75Å; F299-H303 AromaticContact CZ-CE1 3.7Å; F299-H303 PolarHBondContact O-ND1 2.87Å
300	L	96.4	Very high	91.4	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-65.1	-50.8	177.6	173.8	63.1	0	0	0	112.6	L232 Y235 F236 D298 S302 H303 F304 F330 Y365	L232-L300 HydrophobicContact CD2-CD1 3.65Å; Y235-L300 HydrophobicContact CD1-CD1 3.92Å; Y235-L300 HydrophobicContact CE1-CB 4.29Å; Y235-L300 HydrophobicContact CE1-CD1 3.77Å; Y235-L300 HydrophobicContact CE1-CD2 3.83Å; Y235-L300 HydrophobicContact CE1-CG 4.17Å; F236-L300 HydrophobicContact CE2-CD1 4.28Å; F236-L300 HydrophobicContact CZ-CD1 4.04Å; F236-L300 HydrophobicContact CZ-CD2 4.27Å; D298-L300 PolarHBondContact O-N 2.63Å; L300-S302 VanDerWaalsContact C-N 3.26Å; L300-S302 PolarHBondContact O-N 2.89Å; L300-H303 WeakPolarHBondContact O-CB 3.45Å; L300-H303 PolarHBondContact O-N 2.9Å; L300-F304 HydrophobicContact CD1-CE2 3.85Å; L300-F304 HydrophobicContact CD1-CZ 4.35Å; L300-F304 HydrophobicContact CG-CE2 4.24Å; L300-F304 WeakPolarHBondContact O-CD2 3.01Å; L300-F330 HydrophobicContact CD2-CE1 4.24Å; L300-F330 HydrophobicContact CD2-CZ 3.74Å; L300-F330 HydrophobicContact CG-CZ 3.89Å; L300-Y365 HydrophobicContact CD2-CD1 4.03Å; L300-Y365 HydrophobicContact CD2-CD2 4.16Å; L300-Y365 HydrophobicContact CD2-CE1 3.76Å; L300-Y365 HydrophobicContact CD2-CE2 3.85Å; L300-Y365 HydrophobicContact CD2-CG 4.25Å
301	P	96.6	Very high	92.1	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.019	24%	0.235	C	C	.	.	H	α-helix	trans	-52.1	-40.1	171.8	-28	32.6	0	0	0	114.1	D298 H303 F304 N305 F327 F330	D298-P301 HydrophobicContact CB-CB 4.15Å; D298-P301 HydrophobicContact CB-CG 4.15Å; D298-P301 VanDerWaalsContact O-CD 3.29Å; D298-P301 WeakPolarHBondContact O-CD 3.12Å; P301-H303 VanDerWaalsContact C-N 3.25Å; P301-H303 PolarHBondContact O-N 2.96Å; P301-F304 PolarHBondContact O-N 3.33Å; P301-N305 PolarHBondContact O-N 3.44Å; P301-F327 HydrophobicContact CB-CD2 4.15Å; P301-F327 HydrophobicContact CB-CE2 4.02Å; P301-F327 WeakPolarHBondContact O-CD2 3.36Å; P301-F330 HydrophobicContact CB-CB 4.46Å; P301-F330 HydrophobicContact CB-CD2 4.05Å; P301-F330 HydrophobicContact CB-CE2 4.48Å; P301-F330 HydrophobicContact CB-CG 4.28Å; P301-F330 HydrophobicContact CG-CB 4.02Å; P301-F330 HydrophobicContact CG-CD1 3.88Å; P301-F330 HydrophobicContact CG-CD2 3.79Å; P301-F330 HydrophobicContact CG-CE1 4.19Å; P301-F330 HydrophobicContact CG-CE2 4.11Å; P301-F330 HydrophobicContact CG-CG 3.65Å; P301-F330 HydrophobicContact CG-CZ 4.29Å
302	S	96	Very high	93.2	Very high	22 Å²	22	45.9 Å²	45.9	15%	0.154	23%	0.229	C	C	.	.	H	α-helix	trans	-61	-31.3	-175.9	79.1	0	0	0	0	113.3	F209 D298 F299 L300 F304 N305 Y306	F209-S302 WeakPolarHBondContact CE2-OG 3.3Å; F209-S302 WeakPolarHBondContact CZ-OG 3.43Å; D298-S302 VanDerWaalsContact O-CB 3.29Å; D298-S302 WeakPolarHBondContact O-CB 3.47Å; D298-S302 PolarHBondContact O-N 2.97Å; F299-S302 PolarHBondContact O-N 2.96Å; F299-S302 PolarHBondContact O-OG 3.22Å; L300-S302 VanDerWaalsContact C-N 3.26Å; L300-S302 PolarHBondContact O-N 2.89Å; S302-F304 VanDerWaalsContact C-N 3.3Å; S302-F304 PolarHBondContact O-N 3.24Å; S302-N305 PolarHBondContact O-N 2.94Å; S302-Y306 WeakPolarHBondContact O-CD2 3Å; S302-Y306 PolarHBondContact O-N 3.03Å
303	H	98	Very high	93.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-57.4	-45.1	172.9	-70.3	68.5	0	0	0	110.7	F209 L232 F299 L300 P301 N305 Y306 L307	F209-H303 AromaticContact CD2-CD2 3.79Å; F209-H303 AromaticContact CD2-CE1 3.35Å; F209-H303 WeakPolarHBondContact CD2-CE1 3.36Å; F209-H303 AromaticContact CD2-ND1 3.76Å; F209-H303 AromaticContact CD2-NE2 3.36Å; F209-H303 WeakPolarHBondContact CD2-NE2 3.29Å; F209-H303 AromaticContact CE2-CE1 3.7Å; F209-H303 AromaticContact CE2-ND1 3.72Å; L232-H303 HydrophobicContact CD1-CB 4.3Å; L232-H303 HydrophobicContact CD2-CB 3.72Å; L232-H303 HydrophobicContact CG-CB 4.01Å; F299-H303 AromaticContact CE1-CE1 3.75Å; F299-H303 AromaticContact CZ-CE1 3.7Å; F299-H303 PolarHBondContact O-ND1 2.87Å; L300-H303 WeakPolarHBondContact O-CB 3.45Å; L300-H303 PolarHBondContact O-N 2.9Å; P301-H303 VanDerWaalsContact C-N 3.25Å; P301-H303 PolarHBondContact O-N 2.96Å; H303-N305 VanDerWaalsContact C-N 3.35Å; H303-N305 PolarHBondContact O-N 3.22Å; H303-Y306 PolarHBondContact O-N 2.74Å; H303-L307 VanDerWaalsContact O-CB 3.28Å; H303-L307 WeakPolarHBondContact O-CB 3.5Å; H303-L307 WeakPolarHBondContact O-CD1 2.83Å; H303-L307 WeakPolarHBondContact O-CG 3.39Å; H303-L307 PolarHBondContact O-N 2.95Å
304	F	98.2	Very high	94.6	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-70.1	-31.6	179.5	-58.2	-64.2	0	0	0	112.6	L232 L300 P301 S302 L307 Q308 T326 F327 F330 V362	L232-F304 HydrophobicContact CD1-CD1 4.23Å; L232-F304 HydrophobicContact CD1-CE1 3.41Å; L232-F304 VanDerWaalsContact CD1-CE1 3.41Å; L232-F304 HydrophobicContact CD1-CZ 3.69Å; L232-F304 HydrophobicContact CD2-CE1 4.35Å; L232-F304 HydrophobicContact CD2-CE2 4.26Å; L232-F304 HydrophobicContact CD2-CZ 3.77Å; L232-F304 HydrophobicContact CG-CZ 4.42Å; L300-F304 HydrophobicContact CD1-CE2 3.85Å; L300-F304 HydrophobicContact CD1-CZ 4.35Å; L300-F304 HydrophobicContact CG-CE2 4.24Å; L300-F304 WeakPolarHBondContact O-CD2 3.01Å; P301-F304 PolarHBondContact O-N 3.33Å; S302-F304 VanDerWaalsContact C-N 3.3Å; S302-F304 PolarHBondContact O-N 3.24Å; F304-L307 HydrophobicContact CD1-CD1 4.31Å; F304-Q308 WeakPolarHBondContact O-CG 3.16Å; F304-Q308 PolarHBondContact O-N 3.43Å; F304-T326 HydrophobicContact CD1-CG2 3.75Å; F304-T326 HydrophobicContact CD2-CG2 3.96Å; F304-T326 HydrophobicContact CE1-CG2 3.76Å; F304-T326 HydrophobicContact CE2-CG2 3.96Å; F304-T326 HydrophobicContact CG-CG2 3.87Å; F304-T326 HydrophobicContact CZ-CG2 3.88Å; F304-F327 HydrophobicContact CB-CB 4.11Å; F304-F330 HydrophobicContact CD2-CE2 4.09Å; F304-F330 HydrophobicContact CE2-CE2 4.14Å; F304-V362 HydrophobicContact CE1-CG2 4.35Å; F304-V362 HydrophobicContact CE2-CG2 3.87Å; F304-V362 HydrophobicContact CZ-CG2 3.52Å
305	N	96.1	Very high	95.1	Very high	69 Å²	69	41.3 Å²	41.3	37%	0.369	20%	0.203	S	C	.	.	H	α-helix	trans	-67.3	-42.7	173.2	-170	10.9	0	0	0	112.3	P301 S302 H303 Q308 F327 M337	P301-N305 PolarHBondContact O-N 3.44Å; S302-N305 PolarHBondContact O-N 2.94Å; H303-N305 VanDerWaalsContact C-N 3.35Å; H303-N305 PolarHBondContact O-N 3.22Å; N305-Q308 WeakPolarHBondContact O-CG 3.41Å; N305-Q308 PolarHBondContact O-NE2 3.5Å; N305-Q308 PolarHBondContact OD1-NE2 2.93Å; N305-Q308 VanDerWaalsContact OD1-NE2 3.12Å; N305-F327 HydrophobicContact CB-CD2 3.94Å; N305-F327 HydrophobicContact CB-CE2 3.9Å; N305-M337 HydrophobicContact CB-CE 4.2Å; N305-M337 WeakPolarHBondContact OD1-CE 3.4Å
306	Y	96.9	Very high	95.5	Very high	55 Å²	55	43.4 Å²	43.4	22%	0.216	21%	0.207	C	C	.	.	H	α-helix	trans	-69.2	-40.3	173.2	-70.5	-63.9	0	0	0	112.2	F209 K213 Y216 F228 S302 H303 S310	F209-Y306 HydrophobicContact CE2-CD2 4.17Å; F209-Y306 HydrophobicContact CE2-CE2 4.18Å; F209-Y306 HydrophobicContact CZ-CE2 4.09Å; K213-Y306 HydrophobicContact CD-CE2 3.94Å; K213-Y306 WeakPolarHBondContact CE-OH 3.42Å; K213-Y306 HydrophobicContact CG-CD2 4.47Å; K213-Y306 HydrophobicContact CG-CE2 3.95Å; Y216-Y306 HydrophobicContact CD1-CD1 4Å; Y216-Y306 HydrophobicContact CD1-CE1 4.06Å; Y216-Y306 AromaticContact CD2-CD1 3.75Å; Y216-Y306 HydrophobicContact CD2-CD1 3.75Å; Y216-Y306 AromaticContact CE1-CD1 3.99Å; Y216-Y306 HydrophobicContact CE1-CD1 3.99Å; Y216-Y306 HydrophobicContact CE1-CE1 4.07Å; Y216-Y306 AromaticContact CE2-CD1 3.71Å; Y216-Y306 HydrophobicContact CE2-CD1 3.71Å; Y216-Y306 AromaticContact CG-CD1 3.89Å; Y216-Y306 HydrophobicContact CG-CD1 3.89Å; Y216-Y306 HydrophobicContact CG-CE1 4.33Å; Y216-Y306 AromaticContact CZ-CD1 3.84Å; F228-Y306 AromaticContact CE1-CD2 3.81Å; F228-Y306 HydrophobicContact CE1-CD2 3.81Å; F228-Y306 HydrophobicContact CE1-CG 4.07Å; F228-Y306 VanDerWaalsContact CE2-CB 3.4Å; F228-Y306 HydrophobicContact CE2-CD1 4.41Å; F228-Y306 HydrophobicContact CE2-CD2 4.47Å; F228-Y306 AromaticContact CE2-CG 3.9Å; F228-Y306 HydrophobicContact CE2-CG 3.9Å; F228-Y306 HydrophobicContact CZ-CD1 4.11Å; F228-Y306 AromaticContact CZ-CD2 3.71Å; F228-Y306 HydrophobicContact CZ-CD2 3.71Å; F228-Y306 HydrophobicContact CZ-CE2 4.43Å; F228-Y306 AromaticContact CZ-CG 3.53Å; F228-Y306 HydrophobicContact CZ-CG 3.53Å; S302-Y306 WeakPolarHBondContact O-CD2 3Å; S302-Y306 PolarHBondContact O-N 3.03Å; H303-Y306 PolarHBondContact O-N 2.74Å; Y306-S310 VanDerWaalsContact O-CB 3.29Å; Y306-S310 WeakPolarHBondContact O-CB 3.48Å; Y306-S310 PolarHBondContact O-N 3.5Å; Y306-S310 PolarHBondContact O-OG 3.01Å
307	L	98.4	Very high	95.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.2	-45.7	-179.8	-78.9	165.4	0	0	0	112.7	A225 F228 E229 L232 H303 F304 F309 S310 Y311 C323	A225-L307 HydrophobicContact CB-CD2 4.29Å; A225-L307 WeakPolarHBondContact O-CD2 3.23Å; F228-L307 HydrophobicContact CB-CD1 4.24Å; F228-L307 HydrophobicContact CB-CD2 3.63Å; F228-L307 HydrophobicContact CB-CG 3.7Å; E229-L307 HydrophobicContact CG-CD2 3.91Å; L232-L307 HydrophobicContact CD1-CD1 3.55Å; H303-L307 VanDerWaalsContact O-CB 3.28Å; H303-L307 WeakPolarHBondContact O-CB 3.5Å; H303-L307 WeakPolarHBondContact O-CD1 2.83Å; H303-L307 WeakPolarHBondContact O-CG 3.39Å; H303-L307 PolarHBondContact O-N 2.95Å; F304-L307 HydrophobicContact CD1-CD1 4.31Å; L307-F309 VanDerWaalsContact C-N 3.34Å; L307-F309 PolarHBondContact O-N 3.19Å; L307-S310 PolarHBondContact O-N 3.33Å; L307-Y311 HydrophobicContact CB-CD2 4.23Å; L307-Y311 HydrophobicContact CB-CE2 4.29Å; L307-Y311 HydrophobicContact CD2-CD2 4.34Å; L307-Y311 HydrophobicContact CD2-CE2 3.75Å; L307-Y311 WeakPolarHBondContact O-CB 3.27Å; L307-Y311 WeakPolarHBondContact O-CD2 3.31Å; L307-Y311 PolarHBondContact O-N 3.26Å; L307-C323 HydrophobicContact CB-CB 4.14Å
308	Q	97.4	Very high	96.3	Very high	3 Å²	3	41.4 Å²	41.4	1%	0.014	20%	0.197	C	C	.	.	H	α-helix	trans	-59.6	-43.7	-179.5	59	85	33	0	0	112.1	F304 N305 Y312 C323 A324 M337 N340 Y344	F304-Q308 WeakPolarHBondContact O-CG 3.16Å; F304-Q308 PolarHBondContact O-N 3.43Å; N305-Q308 WeakPolarHBondContact O-CG 3.41Å; N305-Q308 PolarHBondContact O-NE2 3.5Å; N305-Q308 PolarHBondContact OD1-NE2 2.93Å; N305-Q308 VanDerWaalsContact OD1-NE2 3.12Å; Q308-Y312 WeakPolarHBondContact O-CB 3.35Å; Q308-Y312 PolarHBondContact O-N 3.12Å; Q308-C323 HydrophobicContact CB-CB 3.79Å; Q308-A324 HydrophobicContact CB-CB 4.23Å; Q308-M337 HydrophobicContact CG-CE 3.79Å; Q308-M337 HydrophobicContact CG-SD 3.67Å; Q308-N340 PolarHBondContact OE1-ND2 3Å; Q308-Y344 PolarHBondContact OE1-OH 3.11Å; Q308-Y344 VanDerWaalsContact OE1-OH 3.05Å
309	F	93.8	Very high	96.6	Very high	66 Å²	66	42.5 Å²	42.5	29%	0.289	20%	0.2	S	C	.	.	H	α-helix	trans	-69.8	-39.6	176.3	-168.2	-97.9	0	0	0	112.2	Y216 F221 L307 Y311 Y312 N313	Y216-F309 HydrophobicContact CE2-CB 4.16Å; Y216-F309 AromaticContact CE2-CD1 3.66Å; Y216-F309 HydrophobicContact CE2-CD1 3.66Å; Y216-F309 HydrophobicContact CE2-CG 4.32Å; Y216-F309 AromaticContact CZ-CD1 3.6Å; Y216-F309 WeakPolarHBondContact OH-CD1 3.4Å; Y216-F309 WeakPolarHBondContact OH-CG 3.19Å; F221-F309 HydrophobicContact CD1-CD1 4.32Å; F221-F309 AromaticContact CE1-CD1 3.84Å; F221-F309 HydrophobicContact CE1-CD1 3.84Å; F221-F309 AromaticContact CE1-CE1 3.69Å; F221-F309 HydrophobicContact CE1-CE1 3.69Å; F221-F309 HydrophobicContact CZ-CD1 4.44Å; F221-F309 AromaticContact CZ-CE1 3.86Å; F221-F309 HydrophobicContact CZ-CE1 3.86Å; L307-F309 VanDerWaalsContact C-N 3.34Å; L307-F309 PolarHBondContact O-N 3.19Å; F309-Y311 VanDerWaalsContact C-N 3.35Å; F309-Y311 PolarHBondContact O-N 2.91Å; F309-Y312 HydrophobicContact CD2-CD1 4.44Å; F309-Y312 PolarHBondContact O-N 3.26Å; F309-N313 WeakPolarHBondContact CD1-ND2 3.14Å; F309-N313 WeakPolarHBondContact CE1-ND2 3.42Å; F309-N313 VanDerWaalsContact CZ-ND2 3.27Å; F309-N313 WeakPolarHBondContact CZ-ND2 3.44Å; F309-N313 PolarHBondContact O-N 3.32Å; F309-N313 PolarHBondContact O-ND2 2.81Å
310	S	96.3	Very high	96.7	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.6	-39.1	178	-57.8	0	0	0	0	112.2	Y216 Y306 L307 S314	Y216-S310 WeakPolarHBondContact CD2-OG 3.36Å; Y306-S310 VanDerWaalsContact O-CB 3.29Å; Y306-S310 WeakPolarHBondContact O-CB 3.48Å; Y306-S310 PolarHBondContact O-N 3.5Å; Y306-S310 PolarHBondContact O-OG 3.01Å; L307-S310 PolarHBondContact O-N 3.33Å; S310-S314 WeakPolarHBondContact O-CB 3.37Å; S310-S314 PolarHBondContact O-N 2.82Å; S310-S314 PolarHBondContact O-OG 3.38Å
311	Y	98.1	Very high	96.8	Very high	25 Å²	25	41.8 Å²	41.8	10%	0.098	20%	0.197	C	C	.	.	H	α-helix	trans	-70.6	-41.8	174.7	-78.9	-53.5	0	0	0	112.3	A225 E229 L307 F309 S314 E315 K316 Q319	A225-Y311 HydrophobicContact CB-CD1 4.41Å; A225-Y311 HydrophobicContact CB-CE1 4.15Å; E229-Y311 WeakPolarHBondContact CG-OH 3.35Å; E229-Y311 VanDerWaalsContact OE1-CE2 3.29Å; E229-Y311 WeakPolarHBondContact OE1-CE2 3.37Å; E229-Y311 PolarHBondContact OE1-OH 3.14Å; L307-Y311 HydrophobicContact CB-CD2 4.23Å; L307-Y311 HydrophobicContact CB-CE2 4.29Å; L307-Y311 HydrophobicContact CD2-CD2 4.34Å; L307-Y311 HydrophobicContact CD2-CE2 3.75Å; L307-Y311 WeakPolarHBondContact O-CB 3.27Å; L307-Y311 WeakPolarHBondContact O-CD2 3.31Å; L307-Y311 PolarHBondContact O-N 3.26Å; F309-Y311 VanDerWaalsContact C-N 3.35Å; F309-Y311 PolarHBondContact O-N 2.91Å; Y311-S314 CarbonylContact O-C 3.52Å; Y311-S314 WeakPolarHBondContact O-CA 3.41Å; Y311-S314 WeakPolarHBondContact O-CB 3.49Å; Y311-S314 PolarHBondContact O-N 3.35Å; Y311-E315 PolarHBondContact O-N 2.78Å; Y311-K316 HydrophobicContact CD1-CB 3.74Å; Y311-K316 HydrophobicContact CD1-CD 3.63Å; Y311-K316 HydrophobicContact CD1-CG 4.34Å; Y311-K316 HydrophobicContact CE1-CD 3.96Å; Y311-K316 HydrophobicContact CG-CB 4.32Å; Y311-K316 WeakPolarHBondContact O-CB 3.34Å; Y311-K316 PolarHBondContact O-N 2.69Å; Y311-Q319 HydrophobicContact CD1-CB 3.71Å; Y311-Q319 HydrophobicContact CD1-CG 4.23Å; Y311-Q319 HydrophobicContact CD2-CB 3.5Å; Y311-Q319 VanDerWaalsContact CD2-CB 3.5Å; Y311-Q319 HydrophobicContact CE1-CB 3.89Å; Y311-Q319 HydrophobicContact CE1-CG 4.01Å; Y311-Q319 HydrophobicContact CE2-CB 3.68Å; Y311-Q319 HydrophobicContact CE2-CG 4.32Å; Y311-Q319 HydrophobicContact CG-CB 3.51Å; Y311-Q319 HydrophobicContact CG-CG 4.49Å
312	Y	96.1	Very high	96.9	Very high	57 Å²	57	44.3 Å²	44.3	22%	0.224	21%	0.208	C	C	.	.	H	α-helix	trans	-56.8	-51.5	174.9	164	-116.4	0	0	0	112.4	Q308 F309 S314 E315 Y317 Y343 Y344	Q308-Y312 WeakPolarHBondContact O-CB 3.35Å; Q308-Y312 PolarHBondContact O-N 3.12Å; F309-Y312 HydrophobicContact CD2-CD1 4.44Å; F309-Y312 PolarHBondContact O-N 3.26Å; Y312-S314 PolarHBondContact O-N 3.23Å; Y312-S314 VanDerWaalsContact O-N 3.15Å; Y312-E315 PolarHBondContact O-N 2.65Å; Y312-Y317 HydrophobicContact CD2-CD1 4.29Å; Y312-Y317 AromaticContact CD2-CE1 3.71Å; Y312-Y317 HydrophobicContact CD2-CE1 3.71Å; Y312-Y317 AromaticContact CE2-CE1 3.9Å; Y312-Y317 HydrophobicContact CE2-CE1 3.9Å; Y312-Y343 HydrophobicContact CE2-CD1 4.45Å; Y312-Y343 AromaticContact CE2-CE1 3.66Å; Y312-Y343 HydrophobicContact CE2-CE1 3.66Å; Y312-Y343 AromaticContact CZ-CE1 3.84Å; Y312-Y344 AromaticContact CD1-CE1 3.91Å; Y312-Y344 HydrophobicContact CD1-CE1 3.91Å; Y312-Y344 AromaticContact CD2-CD1 3.71Å; Y312-Y344 HydrophobicContact CD2-CD1 3.71Å; Y312-Y344 AromaticContact CD2-CE1 3.3Å; Y312-Y344 HydrophobicContact CD2-CE1 3.3Å; Y312-Y344 HydrophobicContact CE1-CE1 4.48Å; Y312-Y344 HydrophobicContact CE2-CD1 4.33Å; Y312-Y344 AromaticContact CE2-CE1 3.96Å; Y312-Y344 HydrophobicContact CE2-CE1 3.96Å; Y312-Y344 HydrophobicContact CG-CD1 4.11Å; Y312-Y344 AromaticContact CG-CE1 3.27Å; Y312-Y344 HydrophobicContact CG-CE1 3.27Å; Y312-Y344 AromaticContact CG-CZ 3.72Å
313	N	94.4	Very high	97	Very high	69 Å²	69	43.3 Å²	43.3	37%	0.369	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-7.9	177.3	-68.2	-84.7	0	0	0	113.4	F221 F309	F221-N313 HydrophobicContact CB-CB 4.18Å; F221-N313 HydrophobicContact CD1-CB 4.39Å; F221-N313 HydrophobicContact CD2-CB 3.39Å; F221-N313 HydrophobicContact CE2-CB 3.85Å; F221-N313 HydrophobicContact CG-CB 3.71Å; F309-N313 WeakPolarHBondContact CD1-ND2 3.14Å; F309-N313 WeakPolarHBondContact CE1-ND2 3.42Å; F309-N313 VanDerWaalsContact CZ-ND2 3.27Å; F309-N313 WeakPolarHBondContact CZ-ND2 3.44Å; F309-N313 PolarHBondContact O-N 3.32Å; F309-N313 PolarHBondContact O-ND2 2.81Å
314	S	94.8	Very high	97	Very high	32 Å²	32	43.3 Å²	43.3	22%	0.224	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	13	170	-56.5	0	0	0	0	113.1	S310 Y311 Y312 K316	S310-S314 WeakPolarHBondContact O-CB 3.37Å; S310-S314 PolarHBondContact O-N 2.82Å; S310-S314 PolarHBondContact O-OG 3.38Å; Y311-S314 CarbonylContact O-C 3.52Å; Y311-S314 WeakPolarHBondContact O-CA 3.41Å; Y311-S314 WeakPolarHBondContact O-CB 3.49Å; Y311-S314 PolarHBondContact O-N 3.35Å; Y312-S314 PolarHBondContact O-N 3.23Å; Y312-S314 VanDerWaalsContact O-N 3.15Å; S314-K316 PolarHBondContact O-N 3.13Å; S314-K316 VanDerWaalsContact O-N 3.11Å
315	E	95.3	Very high	97	Very high	153 Å²	153	45.4 Å²	45.4	72%	0.715	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	18.7	-174.3	-58.8	-174.8	173.7	0	0	114.8	Y311 Y312 Y317	Y311-E315 PolarHBondContact O-N 2.78Å; Y312-E315 PolarHBondContact O-N 2.65Å; E315-Y317 VanDerWaalsContact C-N 3.35Å; E315-Y317 HydrophobicContact CB-CE2 4.08Å; E315-Y317 WeakPolarHBondContact O-CD2 3.39Å; E315-Y317 WeakPolarHBondContact O-CE2 3.45Å; E315-Y317 PolarHBondContact O-N 3.25Å
316	K	97.3	Very high	97.1	Very high	89 Å²	89	42.1 Å²	42.1	39%	0.387	19%	0.193	S	C	.	.			trans	-93.5	60.3	-176.9	-76.9	169.2	-175.3	173.3	0	111.3	Y311 S314 E318 Q319 A320	Y311-K316 HydrophobicContact CD1-CB 3.74Å; Y311-K316 HydrophobicContact CD1-CD 3.63Å; Y311-K316 HydrophobicContact CD1-CG 4.34Å; Y311-K316 HydrophobicContact CE1-CD 3.96Å; Y311-K316 HydrophobicContact CG-CB 4.32Å; Y311-K316 WeakPolarHBondContact O-CB 3.34Å; Y311-K316 PolarHBondContact O-N 2.69Å; S314-K316 PolarHBondContact O-N 3.13Å; S314-K316 VanDerWaalsContact O-N 3.11Å; K316-E318 PolarHBondContact O-N 2.75Å; K316-Q319 PolarHBondContact O-N 2.81Å; K316-Q319 PolarHBondContact O-OE1 3.41Å; K316-A320 PolarHBondContact O-N 2.9Å
317	Y	96.5	Very high	97.2	Very high	57 Å²	57	40.1 Å²	40.1	22%	0.224	19%	0.185	C	C	.	.	H	α-helix	trans	-56.7	-33	-173.4	-59.5	-79.8	0	0	0	114.1	Y312 E315 A320 I321 V347	Y312-Y317 HydrophobicContact CD2-CD1 4.29Å; Y312-Y317 AromaticContact CD2-CE1 3.71Å; Y312-Y317 HydrophobicContact CD2-CE1 3.71Å; Y312-Y317 AromaticContact CE2-CE1 3.9Å; Y312-Y317 HydrophobicContact CE2-CE1 3.9Å; E315-Y317 VanDerWaalsContact C-N 3.35Å; E315-Y317 HydrophobicContact CB-CE2 4.08Å; E315-Y317 WeakPolarHBondContact O-CD2 3.39Å; E315-Y317 WeakPolarHBondContact O-CE2 3.45Å; E315-Y317 PolarHBondContact O-N 3.25Å; Y317-A320 PolarHBondContact O-N 3.49Å; Y317-I321 WeakPolarHBondContact O-CB 3.43Å; Y317-I321 WeakPolarHBondContact O-CD1 3.48Å; Y317-I321 VanDerWaalsContact O-CG1 3.27Å; Y317-I321 WeakPolarHBondContact O-CG1 3.4Å; Y317-I321 PolarHBondContact O-N 3.07Å; Y317-V347 HydrophobicContact CD1-CB 4.27Å; Y317-V347 HydrophobicContact CD1-CG1 3.94Å; Y317-V347 HydrophobicContact CD2-CG1 4.42Å; Y317-V347 HydrophobicContact CE1-CB 4.15Å; Y317-V347 HydrophobicContact CE1-CG1 3.56Å; Y317-V347 HydrophobicContact CE2-CG1 4.09Å; Y317-V347 HydrophobicContact CG-CG1 4.36Å
318	E	97.7	Very high	97.2	Very high	107 Å²	107	41.2 Å²	41.2	50%	0.5	19%	0.191	S	C	.	.	H	α-helix	trans	-65.1	-47.4	179.6	-61.1	-173.5	161.6	0	0	111.5	K316 I321 E322 L348 I356	K316-E318 PolarHBondContact O-N 2.75Å; E318-I321 PolarHBondContact O-N 2.9Å; E318-E322 PolarHBondContact O-N 3.43Å; E318-L348 HydrophobicContact CG-CD1 3.95Å; E318-L348 HydrophobicContact CG-CD2 3.81Å; E318-I356 HydrophobicContact CB-CD1 3.98Å; E318-I356 HydrophobicContact CG-CD1 4.18Å
319	Q	98.1	Very high	97.2	Very high	70 Å²	70	43.8 Å²	43.8	33%	0.327	20%	0.204	S	C	.	.	H	α-helix	trans	-68.2	-35.8	173.7	-63.2	87.5	-18.4	0	0	112.1	Y311 K316 I321 E322 C323	Y311-Q319 HydrophobicContact CD1-CB 3.71Å; Y311-Q319 HydrophobicContact CD1-CG 4.23Å; Y311-Q319 HydrophobicContact CD2-CB 3.5Å; Y311-Q319 VanDerWaalsContact CD2-CB 3.5Å; Y311-Q319 HydrophobicContact CE1-CB 3.89Å; Y311-Q319 HydrophobicContact CE1-CG 4.01Å; Y311-Q319 HydrophobicContact CE2-CB 3.68Å; Y311-Q319 HydrophobicContact CE2-CG 4.32Å; Y311-Q319 HydrophobicContact CG-CB 3.51Å; Y311-Q319 HydrophobicContact CG-CG 4.49Å; K316-Q319 PolarHBondContact O-N 2.81Å; K316-Q319 PolarHBondContact O-OE1 3.41Å; Q319-I321 PolarHBondContact O-N 2.78Å; Q319-E322 PolarHBondContact O-N 2.97Å; Q319-C323 WeakPolarHBondContact O-CB 3.29Å; Q319-C323 PolarHBondContact O-N 2.9Å; Q319-C323 PolarHBondContact O-SG 2.92Å
320	A	98	Very high	97.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.1	-44.8	175.9	0	0	0	0	0	111.8	K316 Y317 C323 A324 Y344	K316-A320 PolarHBondContact O-N 2.9Å; Y317-A320 PolarHBondContact O-N 3.49Å; A320-C323 PolarHBondContact O-N 2.04Å; A320-A324 VanDerWaalsContact O-CB 3.31Å; A320-A324 WeakPolarHBondContact O-CB 3.44Å; A320-A324 PolarHBondContact O-N 2.71Å; A320-Y344 HydrophobicContact CB-CD2 3.84Å; A320-Y344 HydrophobicContact CB-CE2 4.04Å; A320-Y344 HydrophobicContact CB-CG 4.32Å
321	I	98.5	Very high	97.3	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.6	-41	175.1	-70.3	163.4	0	0	0	111.3	Y317 E318 Q319 K325 L341 L348 A353 I356	Y317-I321 WeakPolarHBondContact O-CB 3.43Å; Y317-I321 WeakPolarHBondContact O-CD1 3.48Å; Y317-I321 VanDerWaalsContact O-CG1 3.27Å; Y317-I321 WeakPolarHBondContact O-CG1 3.4Å; Y317-I321 PolarHBondContact O-N 3.07Å; E318-I321 PolarHBondContact O-N 2.9Å; Q319-I321 PolarHBondContact O-N 2.78Å; I321-K325 HydrophobicContact CG2-CD 3.92Å; I321-K325 HydrophobicContact CG2-CG 4.44Å; I321-K325 VanDerWaalsContact O-CB 3.29Å; I321-K325 WeakPolarHBondContact O-CB 3.45Å; I321-K325 VanDerWaalsContact O-CG 3.31Å; I321-K325 WeakPolarHBondContact O-CG 3.18Å; I321-K325 PolarHBondContact O-N 2.99Å; I321-L341 HydrophobicContact CB-CD1 4.38Å; I321-L341 HydrophobicContact CG1-CD1 4.33Å; I321-L341 HydrophobicContact CG2-CD1 3.89Å; I321-L348 HydrophobicContact CD1-CB 3.97Å; I321-L348 HydrophobicContact CD1-CD2 3.55Å; I321-L348 HydrophobicContact CD1-CG 4.41Å; I321-A353 HydrophobicContact CD1-CB 3.92Å; I321-I356 HydrophobicContact CB-CD1 4.11Å; I321-I356 HydrophobicContact CB-CG2 4.41Å; I321-I356 HydrophobicContact CD1-CD1 4.2Å; I321-I356 HydrophobicContact CG2-CB 3.9Å; I321-I356 HydrophobicContact CG2-CD1 3.99Å; I321-I356 HydrophobicContact CG2-CG2 3.83Å
322	E	98.5	Very high	97.2	Very high	56 Å²	56	45.3 Å²	45.3	26%	0.262	22%	0.22	S	C	.	.	H	α-helix	trans	-60.1	-48.7	175.7	-166.7	-158.8	-138.2	0	0	111.2	E318 Q319 T326 I356 R359	E318-E322 PolarHBondContact O-N 3.43Å; Q319-E322 PolarHBondContact O-N 2.97Å; E322-T326 VanDerWaalsContact O-CB 3.31Å; E322-T326 WeakPolarHBondContact O-CB 3.44Å; E322-T326 PolarHBondContact O-N 2.78Å; E322-T326 PolarHBondContact O-OG1 3.41Å; E322-I356 HydrophobicContact CB-CG2 3.89Å; E322-I356 HydrophobicContact CG-CG2 4.43Å; E322-R359 VanDerWaalsContact CD-CG 3.47Å; E322-R359 HydrophobicContact CG-CG 4Å; E322-R359 IonicContact OE1-NE 2.69Å; E322-R359 IonicContact OE2-CZ 3.52Å; E322-R359 IonicContact OE2-NE 2.84Å; E322-R359 PolarHBondContact OE2-NE 2.82Å; E322-R359 IonicContact OE2-NH2 2.74Å; E322-R359 PolarHBondContact OE2-NH2 2.67Å
323	C	98.4	Very high	97.2	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.5	-43.6	179.8	-66.5	0	0	0	0	112.1	L307 Q308 Q319 A320 T326 F327	L307-C323 HydrophobicContact CB-CB 4.14Å; Q308-C323 HydrophobicContact CB-CB 3.79Å; Q319-C323 WeakPolarHBondContact O-CB 3.29Å; Q319-C323 PolarHBondContact O-N 2.9Å; Q319-C323 PolarHBondContact O-SG 2.92Å; A320-C323 PolarHBondContact O-N 2.04Å; C323-T326 CarbonylContact O-C 3.4Å; C323-T326 WeakPolarHBondContact O-CA 3.26Å; C323-T326 WeakPolarHBondContact O-CB 3.43Å; C323-T326 PolarHBondContact O-N 3.4Å; C323-F327 PolarHBondContact O-N 2.89Å
324	A	98.4	Very high	97.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.7	-46.3	176.3	0	0	0	0	0	111.9	Q308 A320 T326 F327 L328 M337 L341	Q308-A324 HydrophobicContact CB-CB 4.23Å; A320-A324 VanDerWaalsContact O-CB 3.31Å; A320-A324 WeakPolarHBondContact O-CB 3.44Å; A320-A324 PolarHBondContact O-N 2.71Å; A324-T326 PolarHBondContact O-N 2.71Å; A324-F327 PolarHBondContact O-N 3.33Å; A324-L328 WeakPolarHBondContact O-CG 3.34Å; A324-L328 PolarHBondContact O-N 3.1Å; A324-L328 VanDerWaalsContact O-N 3.08Å; A324-M337 HydrophobicContact CB-CG 4.24Å; A324-M337 HydrophobicContact CB-SD 3.68Å; A324-L341 HydrophobicContact CB-CB 4.23Å; A324-L341 HydrophobicContact CB-CD1 4.32Å
325	K	98.4	Very high	97.4	Very high	46 Å²	46	56 Å²	56	20%	0.2	27%	0.267	C	S	.	.	H	α-helix	trans	-62.1	-27.9	172.7	-74.5	178.3	166.1	179.8	0	113	I321 L341 A353 I356 A358	I321-K325 HydrophobicContact CG2-CD 3.92Å; I321-K325 HydrophobicContact CG2-CG 4.44Å; I321-K325 VanDerWaalsContact O-CB 3.29Å; I321-K325 WeakPolarHBondContact O-CB 3.45Å; I321-K325 VanDerWaalsContact O-CG 3.31Å; I321-K325 WeakPolarHBondContact O-CG 3.18Å; I321-K325 PolarHBondContact O-N 2.99Å; K325-L341 HydrophobicContact CD-CD1 4.39Å; K325-L341 HydrophobicContact CG-CD1 3.79Å; K325-L341 HydrophobicContact CG-CD2 3.79Å; K325-L341 HydrophobicContact CG-CG 4.48Å; K325-A353 PolarHBondContact NZ-O 3.01Å; K325-I356 WeakPolarHBondContact CD-O 3.29Å; K325-I356 PolarHBondContact NZ-O 3.08Å; K325-A358 HydrophobicContact CB-CB 4.03Å; K325-A358 WeakPolarHBondContact O-CB 3.44Å
326	T	98.5	Very high	97.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-78	-37.8	178	-57.6	0	0	0	0	112.1	F304 E322 C323 A324 L329 A358 R359 V362	F304-T326 HydrophobicContact CD1-CG2 3.75Å; F304-T326 HydrophobicContact CD2-CG2 3.96Å; F304-T326 HydrophobicContact CE1-CG2 3.76Å; F304-T326 HydrophobicContact CE2-CG2 3.96Å; F304-T326 HydrophobicContact CG-CG2 3.87Å; F304-T326 HydrophobicContact CZ-CG2 3.88Å; E322-T326 VanDerWaalsContact O-CB 3.31Å; E322-T326 WeakPolarHBondContact O-CB 3.44Å; E322-T326 PolarHBondContact O-N 2.78Å; E322-T326 PolarHBondContact O-OG1 3.41Å; C323-T326 CarbonylContact O-C 3.4Å; C323-T326 WeakPolarHBondContact O-CA 3.26Å; C323-T326 WeakPolarHBondContact O-CB 3.43Å; C323-T326 PolarHBondContact O-N 3.4Å; A324-T326 PolarHBondContact O-N 2.71Å; T326-L329 WeakPolarHBondContact O-CB 3.46Å; T326-L329 PolarHBondContact O-N 3.33Å; T326-A358 WeakPolarHBondContact OG1-CA 3.33Å; T326-R359 HydrophobicContact CG2-CB 4.08Å; T326-R359 HydrophobicContact CG2-CG 4.42Å; T326-R359 PolarHBondContact OG1-N 2.84Å; T326-V362 HydrophobicContact CG2-CB 3.76Å; T326-V362 HydrophobicContact CG2-CG1 3.79Å; T326-V362 HydrophobicContact CG2-CG2 3.6Å
327	F	98.4	Very high	97.2	Very high	13 Å²	13	50.1 Å²	50.1	6%	0.057	24%	0.243	C	C	.	.	H	α-helix	trans	-61.2	-45.4	170.3	-177.5	-86.5	0	0	0	111.5	P301 F304 N305 C323 A324 L329 F330 H331 D334 M337	P301-F327 HydrophobicContact CB-CD2 4.15Å; P301-F327 HydrophobicContact CB-CE2 4.02Å; P301-F327 WeakPolarHBondContact O-CD2 3.36Å; F304-F327 HydrophobicContact CB-CB 4.11Å; N305-F327 HydrophobicContact CB-CD2 3.94Å; N305-F327 HydrophobicContact CB-CE2 3.9Å; C323-F327 PolarHBondContact O-N 2.89Å; A324-F327 PolarHBondContact O-N 3.33Å; F327-L329 PolarHBondContact O-N 2.98Å; F327-F330 PolarHBondContact O-N 3.47Å; F327-H331 HydrophobicContact CE1-CB 3.97Å; F327-H331 HydrophobicContact CZ-CB 4.5Å; F327-H331 AromaticContact CZ-CD2 3.92Å; F327-H331 PolarHBondContact O-N 3.47Å; F327-D334 HydrophobicContact CE1-CB 3.97Å; F327-M337 HydrophobicContact CB-CE 4.22Å; F327-M337 HydrophobicContact CB-CG 4.17Å; F327-M337 HydrophobicContact CB-SD 4.45Å; F327-M337 HydrophobicContact CD1-CB 3.88Å; F327-M337 HydrophobicContact CD1-CE 3.89Å; F327-M337 HydrophobicContact CD1-CG 3.65Å; F327-M337 HydrophobicContact CD2-CE 4.23Å; F327-M337 HydrophobicContact CE1-CB 4.17Å; F327-M337 HydrophobicContact CE1-CE 4.28Å; F327-M337 HydrophobicContact CE1-CG 4.41Å; F327-M337 HydrophobicContact CG-CE 3.84Å; F327-M337 HydrophobicContact CG-CG 4.17Å
328	L	97.9	Very high	97.3	Very high	22 Å²	22	50 Å²	50	12%	0.115	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-2.5	178.7	-67.3	170.1	0	0	0	114.4	A324 H331 P332 D334 M337 N338 L341	A324-L328 WeakPolarHBondContact O-CG 3.34Å; A324-L328 PolarHBondContact O-N 3.1Å; A324-L328 VanDerWaalsContact O-N 3.08Å; L328-H331 VanDerWaalsContact CD2-O 3.3Å; L328-H331 WeakPolarHBondContact CD2-O 3.41Å; L328-P332 WeakPolarHBondContact O-CA 3.43Å; L328-D334 HydrophobicContact CD2-CB 4.3Å; L328-M337 HydrophobicContact CD1-CG 4.2Å; L328-M337 HydrophobicContact CD2-CB 3.86Å; L328-M337 HydrophobicContact CD2-CG 4Å; L328-M337 HydrophobicContact CG-CB 4.22Å; L328-M337 HydrophobicContact CG-CG 3.78Å; L328-N338 WeakPolarHBondContact CD2-ND2 3.31Å; L328-L341 HydrophobicContact CD1-CB 4.36Å; L328-L341 HydrophobicContact CD1-CD2 3.6Å
329	L	97.6	Very high	97.2	Very high	57 Å²	57	50 Å²	50	30%	0.298	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-28.5	166.2	-60	-179.8	0	0	0	112.5	T326 F327 A358 V362 K363 I366	T326-L329 WeakPolarHBondContact O-CB 3.46Å; T326-L329 PolarHBondContact O-N 3.33Å; F327-L329 PolarHBondContact O-N 2.98Å; L329-A358 HydrophobicContact CD1-CB 3.71Å; L329-A358 HydrophobicContact CD2-CB 4.1Å; L329-A358 HydrophobicContact CG-CB 3.93Å; L329-V362 HydrophobicContact CD1-CB 4.39Å; L329-V362 HydrophobicContact CD1-CG1 4.08Å; L329-K363 HydrophobicContact CD1-CG 3.61Å; L329-I366 HydrophobicContact CB-CD1 3.43Å; L329-I366 VanDerWaalsContact CB-CD1 3.43Å; L329-I366 HydrophobicContact CD1-CD1 4.29Å
330	F	96.7	Very high	97.1	Very high	5 Å²	5	48.7 Å²	48.7	2%	0.022	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-48.2	176.8	-59.6	-82.1	0	0	0	110.6	L300 P301 F304 F327 P332 V362 Y365 I366 W393	L300-F330 HydrophobicContact CD2-CE1 4.24Å; L300-F330 HydrophobicContact CD2-CZ 3.74Å; L300-F330 HydrophobicContact CG-CZ 3.89Å; P301-F330 HydrophobicContact CB-CB 4.46Å; P301-F330 HydrophobicContact CB-CD2 4.05Å; P301-F330 HydrophobicContact CB-CE2 4.48Å; P301-F330 HydrophobicContact CB-CG 4.28Å; P301-F330 HydrophobicContact CG-CB 4.02Å; P301-F330 HydrophobicContact CG-CD1 3.88Å; P301-F330 HydrophobicContact CG-CD2 3.79Å; P301-F330 HydrophobicContact CG-CE1 4.19Å; P301-F330 HydrophobicContact CG-CE2 4.11Å; P301-F330 HydrophobicContact CG-CG 3.65Å; P301-F330 HydrophobicContact CG-CZ 4.29Å; F304-F330 HydrophobicContact CD2-CE2 4.09Å; F304-F330 HydrophobicContact CE2-CE2 4.14Å; F327-F330 PolarHBondContact O-N 3.47Å; F330-P332 WeakPolarHBondContact O-CD 3.45Å; F330-V362 HydrophobicContact CD2-CG1 4.5Å; F330-V362 HydrophobicContact CE1-CG1 4.46Å; F330-V362 HydrophobicContact CE2-CG1 3.5Å; F330-V362 VanDerWaalsContact CE2-CG1 3.5Å; F330-V362 HydrophobicContact CZ-CG1 3.48Å; F330-V362 VanDerWaalsContact CZ-CG1 3.48Å; F330-Y365 HydrophobicContact CE1-CD1 4.29Å; F330-Y365 HydrophobicContact CE1-CE1 4.17Å; F330-I366 HydrophobicContact CD1-CD1 3.73Å; F330-I366 HydrophobicContact CD1-CG1 4.02Å; F330-I366 HydrophobicContact CD2-CD1 4.32Å; F330-I366 HydrophobicContact CE1-CD1 3.7Å; F330-I366 HydrophobicContact CE1-CG1 3.71Å; F330-I366 HydrophobicContact CE2-CD1 4.29Å; F330-I366 HydrophobicContact CG-CD1 4.06Å; F330-I366 HydrophobicContact CZ-CD1 4Å; F330-I366 HydrophobicContact CZ-CG1 4.27Å; F330-W393 HydrophobicContact CB-CB 3.93Å; F330-W393 HydrophobicContact CB-CG 4.11Å; F330-W393 HydrophobicContact CD1-CB 4.48Å; F330-W393 AromaticContact CD1-CD1 3.9Å; F330-W393 AromaticContact CD1-CD2 3.61Å; F330-W393 HydrophobicContact CD1-CD2 3.61Å; F330-W393 AromaticContact CD1-CE2 3.81Å; F330-W393 HydrophobicContact CD1-CE3 4.09Å; F330-W393 AromaticContact CD1-CG 3.75Å; F330-W393 HydrophobicContact CD1-CG 3.75Å; F330-W393 HydrophobicContact CD1-CZ2 4.49Å; F330-W393 AromaticContact CD1-NE1 3.93Å; F330-W393 HydrophobicContact CE1-CD2 4.34Å; F330-W393 HydrophobicContact CE1-CZ2 4.44Å; F330-W393 HydrophobicContact CG-CG 4.41Å
331	H	96.4	Very high	97.1	Very high	45 Å²	45	49.6 Å²	49.6	21%	0.208	25%	0.246	C	C	.	.			trans	-123	78	-176.6	-65.7	-53.7	0	0	0	111.2	D298 F327 L328 E333 D334	D298-H331 VanDerWaalsContact CG-NE2 3.31Å; D298-H331 IonicContact OD1-NE2 3.05Å; D298-H331 PolarHBondContact OD1-NE2 2.92Å; D298-H331 IonicContact OD2-CD2 3.74Å; D298-H331 IonicContact OD2-CE1 3.43Å; D298-H331 IonicContact OD2-NE2 3.47Å; D298-H331 PolarHBondContact OD2-NE2 3.41Å; F327-H331 HydrophobicContact CE1-CB 3.97Å; F327-H331 HydrophobicContact CZ-CB 4.5Å; F327-H331 AromaticContact CZ-CD2 3.92Å; F327-H331 PolarHBondContact O-N 3.47Å; L328-H331 VanDerWaalsContact CD2-O 3.3Å; L328-H331 WeakPolarHBondContact CD2-O 3.41Å; H331-E333 VanDerWaalsContact C-N 3.27Å; H331-E333 PolarHBondContact O-N 2.69Å; H331-D334 HydrophobicContact CB-CB 4.27Å; H331-D334 PolarHBondContact O-N 3.07Å
332	P	96	Very high	97	Very high	74 Å²	74	54.4 Å²	54.4	48%	0.481	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-32.6	-174.5	-24.1	33.9	0	0	0	114.4	L328 F330 D334 N338	L328-P332 WeakPolarHBondContact O-CA 3.43Å; F330-P332 WeakPolarHBondContact O-CD 3.45Å; P332-D334 VanDerWaalsContact C-N 3.34Å; P332-N338 PolarHBondContact O-ND2 3.33Å
333	E	95.2	Very high	96.9	Very high	175 Å²	175	57.5 Å²	57.5	82%	0.818	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	10	-175.2	-53.6	-62.3	152.8	0	0	113.3	H331 E335	H331-E333 VanDerWaalsContact C-N 3.27Å; H331-E333 PolarHBondContact O-N 2.69Å; E333-E335 PolarHBondContact O-N 3.35Å; E333-E335 VanDerWaalsContact O-N 3.07Å
334	D	96.6	Very high	96.8	Very high	52 Å²	52	57.7 Å²	57.7	28%	0.278	28%	0.282	S	S	.	.			trans	-67.2	108.3	178.9	-173.4	-67.9	0	0	0	111	F327 L328 H331 P332 M336 M337 N338	F327-D334 HydrophobicContact CE1-CB 3.97Å; L328-D334 HydrophobicContact CD2-CB 4.3Å; H331-D334 HydrophobicContact CB-CB 4.27Å; H331-D334 PolarHBondContact O-N 3.07Å; P332-D334 VanDerWaalsContact C-N 3.34Å; D334-M336 VanDerWaalsContact C-N 3.26Å; D334-M336 PolarHBondContact O-N 3.01Å; D334-M336 WeakPolarHBondContact OD1-CA 3.35Å; D334-M336 WeakPolarHBondContact OD1-CB 3.33Å; D334-M336 PolarHBondContact OD1-N 3.29Å; D334-M337 HydrophobicContact CB-CB 4.15Å; D334-M337 PolarHBondContact O-N 2.9Å; D334-M337 WeakPolarHBondContact OD1-CB 3.43Å; D334-M337 PolarHBondContact OD1-N 3.42Å; D334-N338 WeakPolarHBondContact O-CB 3.07Å; D334-N338 PolarHBondContact O-N 3.05Å; D334-N338 PolarHBondContact O-ND2 3.16Å
335	E	96.3	Very high	96.8	Very high	154 Å²	154	58 Å²	58	72%	0.72	29%	0.285	S	S	*	.	H	α-helix	trans	-60.7	-34	-176.1	-66	-168.5	170.1	0	0	112.9	E333 Q339	E333-E335 PolarHBondContact O-N 3.35Å; E333-E335 VanDerWaalsContact O-N 3.07Å; E335-Q339 WeakPolarHBondContact O-CB 3.35Å; E335-Q339 WeakPolarHBondContact O-CG 3.34Å; E335-Q339 PolarHBondContact O-N 2.96Å; E335-Q339 VanDerWaalsContact O-N 3.08Å; E335-Q339 PolarHBondContact O-NE2 3.37Å
336	M	93.6	Very high	96.7	Very high	116 Å²	116	59.1 Å²	59.1	57%	0.571	30%	0.303	S	S	*	.	H	α-helix	trans	-77.3	-43.5	-175.2	-68.7	-60.4	-56.6	0	0	111	D334 Q339 N340	D334-M336 VanDerWaalsContact C-N 3.26Å; D334-M336 PolarHBondContact O-N 3.01Å; D334-M336 WeakPolarHBondContact OD1-CA 3.35Å; D334-M336 WeakPolarHBondContact OD1-CB 3.33Å; D334-M336 PolarHBondContact OD1-N 3.29Å; M336-Q339 WeakPolarHBondContact O-CB 3.29Å; M336-Q339 PolarHBondContact O-N 2.96Å; M336-N340 VanDerWaalsContact O-CG 3.25Å; M336-N340 PolarHBondContact O-N 2.8Å; M336-N340 PolarHBondContact O-OD1 2.83Å
337	M	96.4	Very high	96.5	Very high	4 Å²	4	62.3 Å²	62.3	2%	0.02	32%	0.322	C	S	.	.	H	α-helix	trans	-69.9	-35.9	177.4	-165.4	62.2	61.3	0	0	111.6	N305 Q308 A324 F327 L328 D334 N340 L341	N305-M337 HydrophobicContact CB-CE 4.2Å; N305-M337 WeakPolarHBondContact OD1-CE 3.4Å; Q308-M337 HydrophobicContact CG-CE 3.79Å; Q308-M337 HydrophobicContact CG-SD 3.67Å; A324-M337 HydrophobicContact CB-CG 4.24Å; A324-M337 HydrophobicContact CB-SD 3.68Å; F327-M337 HydrophobicContact CB-CE 4.22Å; F327-M337 HydrophobicContact CB-CG 4.17Å; F327-M337 HydrophobicContact CB-SD 4.45Å; F327-M337 HydrophobicContact CD1-CB 3.88Å; F327-M337 HydrophobicContact CD1-CE 3.89Å; F327-M337 HydrophobicContact CD1-CG 3.65Å; F327-M337 HydrophobicContact CD2-CE 4.23Å; F327-M337 HydrophobicContact CE1-CB 4.17Å; F327-M337 HydrophobicContact CE1-CE 4.28Å; F327-M337 HydrophobicContact CE1-CG 4.41Å; F327-M337 HydrophobicContact CG-CE 3.84Å; F327-M337 HydrophobicContact CG-CG 4.17Å; L328-M337 HydrophobicContact CD1-CG 4.2Å; L328-M337 HydrophobicContact CD2-CB 3.86Å; L328-M337 HydrophobicContact CD2-CG 4Å; L328-M337 HydrophobicContact CG-CB 4.22Å; L328-M337 HydrophobicContact CG-CG 3.78Å; D334-M337 HydrophobicContact CB-CB 4.15Å; D334-M337 PolarHBondContact O-N 2.9Å; D334-M337 WeakPolarHBondContact OD1-CB 3.43Å; D334-M337 PolarHBondContact OD1-N 3.42Å; M337-N340 PolarHBondContact O-N 3.28Å; M337-L341 VanDerWaalsContact O-CB 3.3Å; M337-L341 WeakPolarHBondContact O-CB 3.01Å; M337-L341 PolarHBondContact O-N 2.89Å
338	N	97.8	Very high	96.4	Very high	54 Å²	54	63.1 Å²	63.1	29%	0.289	33%	0.327	S	S	.	.	H	α-helix	trans	-63.6	-40.9	170.6	-82.4	-70.5	0	0	0	111.8	L328 P332 D334 L341 N342	L328-N338 WeakPolarHBondContact CD2-ND2 3.31Å; P332-N338 PolarHBondContact O-ND2 3.33Å; D334-N338 WeakPolarHBondContact O-CB 3.07Å; D334-N338 PolarHBondContact O-N 3.05Å; D334-N338 PolarHBondContact O-ND2 3.16Å; N338-L341 PolarHBondContact O-N 2.86Å; N338-N342 WeakPolarHBondContact O-CB 3.19Å; N338-N342 VanDerWaalsContact O-CG 3.24Å; N338-N342 PolarHBondContact O-N 2.77Å; N338-N342 PolarHBondContact O-ND2 2.92Å
339	Q	96.4	Very high	96.3	Very high	108 Å²	108	63.5 Å²	63.5	51%	0.505	34%	0.336	S	S	.	.	H	α-helix	trans	-62.4	-46	173.1	-78.1	168.9	71.6	0	0	112.3	E335 M336 N342 Y343	E335-Q339 WeakPolarHBondContact O-CB 3.35Å; E335-Q339 WeakPolarHBondContact O-CG 3.34Å; E335-Q339 PolarHBondContact O-N 2.96Å; E335-Q339 VanDerWaalsContact O-N 3.08Å; E335-Q339 PolarHBondContact O-NE2 3.37Å; M336-Q339 WeakPolarHBondContact O-CB 3.29Å; M336-Q339 PolarHBondContact O-N 2.96Å; Q339-N342 PolarHBondContact O-N 3.23Å; Q339-Y343 WeakPolarHBondContact O-CB 3.35Å; Q339-Y343 PolarHBondContact O-N 3.04Å
340	N	95.6	Very high	96	Very high	41 Å²	41	66.1 Å²	66.1	22%	0.219	35%	0.347	C	S	.	.	H	α-helix	trans	-60.2	-47.1	176.2	-69.3	-12.5	0	0	0	111.5	Q308 M336 M337 N342 Y343 Y344	Q308-N340 PolarHBondContact OE1-ND2 3Å; M336-N340 VanDerWaalsContact O-CG 3.25Å; M336-N340 PolarHBondContact O-N 2.8Å; M336-N340 PolarHBondContact O-OD1 2.83Å; M337-N340 PolarHBondContact O-N 3.28Å; N340-N342 PolarHBondContact O-N 3.05Å; N340-Y343 PolarHBondContact O-N 2.8Å; N340-Y344 HydrophobicContact CB-CE2 3.89Å; N340-Y344 VanDerWaalsContact O-CD2 3.29Å; N340-Y344 WeakPolarHBondContact O-CD2 3.26Å; N340-Y344 PolarHBondContact O-N 2.82Å
341	L	97.3	Very high	95.9	Very high	20 Å²	20	74.5 Å²	74.5	11%	0.105	39%	0.386	C	S	.	.	H	α-helix	trans	-59.3	-46.7	178.3	176.1	58.9	0	0	0	111.9	I321 A324 K325 L328 M337 N338 Y343 Y344 S345	I321-L341 HydrophobicContact CB-CD1 4.38Å; I321-L341 HydrophobicContact CG1-CD1 4.33Å; I321-L341 HydrophobicContact CG2-CD1 3.89Å; A324-L341 HydrophobicContact CB-CB 4.23Å; A324-L341 HydrophobicContact CB-CD1 4.32Å; K325-L341 HydrophobicContact CD-CD1 4.39Å; K325-L341 HydrophobicContact CG-CD1 3.79Å; K325-L341 HydrophobicContact CG-CD2 3.79Å; K325-L341 HydrophobicContact CG-CG 4.48Å; L328-L341 HydrophobicContact CD1-CB 4.36Å; L328-L341 HydrophobicContact CD1-CD2 3.6Å; M337-L341 VanDerWaalsContact O-CB 3.3Å; M337-L341 WeakPolarHBondContact O-CB 3.01Å; M337-L341 PolarHBondContact O-N 2.89Å; N338-L341 PolarHBondContact O-N 2.86Å; L341-Y343 VanDerWaalsContact C-N 3.32Å; L341-Y343 PolarHBondContact O-N 3.18Å; L341-Y344 PolarHBondContact O-N 2.74Å; L341-S345 VanDerWaalsContact O-CB 3.27Å; L341-S345 WeakPolarHBondContact O-CB 3.33Å; L341-S345 PolarHBondContact O-N 2.81Å; L341-S345 PolarHBondContact O-OG 3.32Å
342	N	96.8	Very high	95.7	Very high	101 Å²	101	78.2 Å²	78.2	54%	0.54	40%	0.402	S	S	.	.	H	α-helix	trans	-61.1	-42.1	176.7	-73	-39	0	0	0	111.3	N338 Q339 N340 S345 A346	N338-N342 WeakPolarHBondContact O-CB 3.19Å; N338-N342 VanDerWaalsContact O-CG 3.24Å; N338-N342 PolarHBondContact O-N 2.77Å; N338-N342 PolarHBondContact O-ND2 2.92Å; Q339-N342 PolarHBondContact O-N 3.23Å; N340-N342 PolarHBondContact O-N 3.05Å; N342-S345 PolarHBondContact O-N 3.39Å; N342-A346 WeakPolarHBondContact O-CB 3.41Å; N342-A346 PolarHBondContact O-N 3.25Å
343	Y	96.4	Very high	95.7	Very high	121 Å²	121	74.8 Å²	74.8	48%	0.475	38%	0.379	S	S	.	.	H	α-helix	trans	-64.4	-46.8	177.6	178.1	-105.1	0	0	0	112.5	Y312 Q339 N340 L341 S345 A346 V347	Y312-Y343 HydrophobicContact CE2-CD1 4.45Å; Y312-Y343 AromaticContact CE2-CE1 3.66Å; Y312-Y343 HydrophobicContact CE2-CE1 3.66Å; Y312-Y343 AromaticContact CZ-CE1 3.84Å; Q339-Y343 WeakPolarHBondContact O-CB 3.35Å; Q339-Y343 PolarHBondContact O-N 3.04Å; N340-Y343 PolarHBondContact O-N 2.8Å; L341-Y343 VanDerWaalsContact C-N 3.32Å; L341-Y343 PolarHBondContact O-N 3.18Å; Y343-S345 VanDerWaalsContact C-N 3.33Å; Y343-S345 PolarHBondContact O-N 2.93Å; Y343-A346 PolarHBondContact O-N 3.04Å; Y343-V347 HydrophobicContact CE1-CG2 4.37Å; Y343-V347 HydrophobicContact CE2-CG2 4.25Å; Y343-V347 WeakPolarHBondContact O-CG2 3.5Å; Y343-V347 PolarHBondContact O-N 3.17Å; Y343-V347 VanDerWaalsContact O-N 3.14Å
344	Y	97.1	Very high	95.6	Very high	3 Å²	3	70 Å²	70	1%	0.012	37%	0.37	C	S	.	.	H	α-helix	trans	-65	-37.3	177.1	-54.4	-27.6	0	0	0	112.1	Q308 Y312 A320 N340 L341 V347 L348	Q308-Y344 PolarHBondContact OE1-OH 3.11Å; Q308-Y344 VanDerWaalsContact OE1-OH 3.05Å; Y312-Y344 AromaticContact CD1-CE1 3.91Å; Y312-Y344 HydrophobicContact CD1-CE1 3.91Å; Y312-Y344 AromaticContact CD2-CD1 3.71Å; Y312-Y344 HydrophobicContact CD2-CD1 3.71Å; Y312-Y344 AromaticContact CD2-CE1 3.3Å; Y312-Y344 HydrophobicContact CD2-CE1 3.3Å; Y312-Y344 HydrophobicContact CE1-CE1 4.48Å; Y312-Y344 HydrophobicContact CE2-CD1 4.33Å; Y312-Y344 AromaticContact CE2-CE1 3.96Å; Y312-Y344 HydrophobicContact CE2-CE1 3.96Å; Y312-Y344 HydrophobicContact CG-CD1 4.11Å; Y312-Y344 AromaticContact CG-CE1 3.27Å; Y312-Y344 HydrophobicContact CG-CE1 3.27Å; Y312-Y344 AromaticContact CG-CZ 3.72Å; A320-Y344 HydrophobicContact CB-CD2 3.84Å; A320-Y344 HydrophobicContact CB-CE2 4.04Å; A320-Y344 HydrophobicContact CB-CG 4.32Å; N340-Y344 HydrophobicContact CB-CE2 3.89Å; N340-Y344 VanDerWaalsContact O-CD2 3.29Å; N340-Y344 WeakPolarHBondContact O-CD2 3.26Å; N340-Y344 PolarHBondContact O-N 2.82Å; L341-Y344 PolarHBondContact O-N 2.74Å; Y344-V347 PolarHBondContact O-N 2.97Å; Y344-L348 PolarHBondContact O-N 3.37Å
345	S	96.5	Very high	95.6	Very high	7 Å²	7	71.6 Å²	71.6	5%	0.049	39%	0.39	C	S	.	.	H	α-helix	trans	-64.3	-42.3	177.7	-57.4	0	0	0	0	111.7	L341 N342 Y343 V347 L348 G349 A353	L341-S345 VanDerWaalsContact O-CB 3.27Å; L341-S345 WeakPolarHBondContact O-CB 3.33Å; L341-S345 PolarHBondContact O-N 2.81Å; L341-S345 PolarHBondContact O-OG 3.32Å; N342-S345 PolarHBondContact O-N 3.39Å; Y343-S345 VanDerWaalsContact C-N 3.33Å; Y343-S345 PolarHBondContact O-N 2.93Å; S345-V347 VanDerWaalsContact C-N 3.35Å; S345-V347 PolarHBondContact O-N 3.31Å; S345-L348 PolarHBondContact O-N 2.9Å; S345-G349 CarbonylContact O-C 3.3Å; S345-G349 VanDerWaalsContact O-C 3.3Å; S345-G349 WeakPolarHBondContact O-CA 3.3Å; S345-G349 PolarHBondContact O-N 3.26Å; S345-A353 VanDerWaalsContact CB-CB 3.47Å
346	A	96.4	Very high	95.6	Very high	70 Å²	70	65.8 Å²	65.8	58%	0.579	36%	0.364	S	S	*	.	H	α-helix	trans	-65.6	-33.4	175.2	0	0	0	0	0	113.3	N342 Y343 E350	N342-A346 WeakPolarHBondContact O-CB 3.41Å; N342-A346 PolarHBondContact O-N 3.25Å; Y343-A346 PolarHBondContact O-N 3.04Å; A346-E350 PolarHBondContact N-OE1 3.48Å
347	V	95.8	Very high	95.8	Very high	67 Å²	67	63.6 Å²	63.6	41%	0.406	36%	0.359	S	S	.	.	H	α-helix	trans	-76.1	-40	177.5	175.9	0	0	0	0	112.3	Y317 Y343 Y344 S345	Y317-V347 HydrophobicContact CD1-CB 4.27Å; Y317-V347 HydrophobicContact CD1-CG1 3.94Å; Y317-V347 HydrophobicContact CD2-CG1 4.42Å; Y317-V347 HydrophobicContact CE1-CB 4.15Å; Y317-V347 HydrophobicContact CE1-CG1 3.56Å; Y317-V347 HydrophobicContact CE2-CG1 4.09Å; Y317-V347 HydrophobicContact CG-CG1 4.36Å; Y343-V347 HydrophobicContact CE1-CG2 4.37Å; Y343-V347 HydrophobicContact CE2-CG2 4.25Å; Y343-V347 WeakPolarHBondContact O-CG2 3.5Å; Y343-V347 PolarHBondContact O-N 3.17Å; Y343-V347 VanDerWaalsContact O-N 3.14Å; Y344-V347 PolarHBondContact O-N 2.97Å; S345-V347 VanDerWaalsContact C-N 3.35Å; S345-V347 PolarHBondContact O-N 3.31Å
348	L	95.6	Very high	95.8	Very high	30 Å²	30	63.7 Å²	63.7	16%	0.157	36%	0.361	C	S	.	.	H	α-helix	trans	-76.5	-31.3	177.2	-177.4	65.9	0	0	0	112.9	E318 I321 Y344 S345 K352 I356	E318-L348 HydrophobicContact CG-CD1 3.95Å; E318-L348 HydrophobicContact CG-CD2 3.81Å; I321-L348 HydrophobicContact CD1-CB 3.97Å; I321-L348 HydrophobicContact CD1-CD2 3.55Å; I321-L348 HydrophobicContact CD1-CG 4.41Å; Y344-L348 PolarHBondContact O-N 3.37Å; S345-L348 PolarHBondContact O-N 2.9Å; L348-K352 HydrophobicContact CD1-CD 4.07Å; L348-K352 HydrophobicContact CD2-CB 3.96Å; L348-K352 HydrophobicContact CG-CB 3.97Å; L348-K352 HydrophobicContact CG-CD 4.07Å; L348-I356 HydrophobicContact CD2-CD1 3.6Å
349	G	95.5	Very high	95.8	Very high	30 Å²	30	63 Å²	63	31%	0.309	35%	0.354	S	S	.	.			trans	103.8	124.6	-171.9	0	0	0	0	0	112	S345 E351 K352 A353	S345-G349 CarbonylContact O-C 3.3Å; S345-G349 VanDerWaalsContact O-C 3.3Å; S345-G349 WeakPolarHBondContact O-CA 3.3Å; S345-G349 PolarHBondContact O-N 3.26Å; G349-E351 VanDerWaalsContact C-N 3.33Å; G349-E351 PolarHBondContact O-N 3.04Å; G349-E351 VanDerWaalsContact O-N 3.15Å; G349-K352 WeakPolarHBondContact O-CB 3.21Å; G349-K352 PolarHBondContact O-N 2.98Å; G349-A353 PolarHBondContact O-N 3.31Å
350	E	92.3	Very high	95.8	Very high	111 Å²	111	62.8 Å²	62.8	52%	0.519	35%	0.354	S	S	.	.	H	α-helix	trans	-51.4	-41.4	-170.4	-62.5	-57.8	151	0	0	114.8	A346 K352 A353 A354	A346-E350 PolarHBondContact N-OE1 3.48Å; E350-K352 VanDerWaalsContact C-N 3.33Å; E350-K352 PolarHBondContact O-N 3.08Å; E350-A353 PolarHBondContact O-N 3.25Å; E350-A354 VanDerWaalsContact O-CB 3.27Å; E350-A354 WeakPolarHBondContact O-CB 3.44Å; E350-A354 PolarHBondContact O-N 2.75Å
351	E	93.1	Very high	95.9	Very high	181 Å²	181	63.8 Å²	63.8	85%	0.846	36%	0.361	S	S	*	.	H	α-helix	trans	-63.7	-37.3	180	-64.3	-174	160.5	0	0	112.7	G349 A355	G349-E351 VanDerWaalsContact C-N 3.33Å; G349-E351 PolarHBondContact O-N 3.04Å; G349-E351 VanDerWaalsContact O-N 3.15Å; E351-A355 PolarHBondContact O-N 3.08Å
352	K	94.2	Very high	95.9	Very high	124 Å²	124	62.8 Å²	62.8	54%	0.539	36%	0.356	S	S	.	.	H	α-helix	trans	-73.1	-44.7	173.8	-66.1	-176.1	-179.5	-179.9	0	110.9	L348 G349 E350 A354 A355 I356	L348-K352 HydrophobicContact CD1-CD 4.07Å; L348-K352 HydrophobicContact CD2-CB 3.96Å; L348-K352 HydrophobicContact CG-CB 3.97Å; L348-K352 HydrophobicContact CG-CD 4.07Å; G349-K352 WeakPolarHBondContact O-CB 3.21Å; G349-K352 PolarHBondContact O-N 2.98Å; E350-K352 VanDerWaalsContact C-N 3.33Å; E350-K352 PolarHBondContact O-N 3.08Å; K352-A354 VanDerWaalsContact C-N 3.26Å; K352-A354 PolarHBondContact O-N 3.47Å; K352-A355 WeakPolarHBondContact O-CB 3.13Å; K352-A355 PolarHBondContact O-N 3.45Å; K352-A355 VanDerWaalsContact O-N 3.11Å; K352-I356 PolarHBondContact O-N 3.18Å
353	A	94.4	Very high	95.9	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.008	34%	0.34	C	S	.	.	H	α-helix	trans	-58.5	-39.8	178.9	0	0	0	0	0	111.6	I321 K325 S345 G349 E350 A355 I356	I321-A353 HydrophobicContact CD1-CB 3.92Å; K325-A353 PolarHBondContact NZ-O 3.01Å; S345-A353 VanDerWaalsContact CB-CB 3.47Å; G349-A353 PolarHBondContact O-N 3.31Å; E350-A353 PolarHBondContact O-N 3.25Å; A353-A355 PolarHBondContact O-N 3.29Å; A353-I356 PolarHBondContact O-N 3.27Å
354	A	93.6	Very high	95.8	Very high	76 Å²	76	59.7 Å²	59.7	63%	0.628	34%	0.342	S	S	*	.	H	α-helix	trans	-63.1	-36.9	175.7	0	0	0	0	0	113.2	E350 K352 I356	E350-A354 VanDerWaalsContact O-CB 3.27Å; E350-A354 WeakPolarHBondContact O-CB 3.44Å; E350-A354 PolarHBondContact O-N 2.75Å; K352-A354 VanDerWaalsContact C-N 3.26Å; K352-A354 PolarHBondContact O-N 3.47Å; A354-I356 VanDerWaalsContact C-N 3.3Å; A354-I356 PolarHBondContact O-N 2.98Å
355	A	96.3	Very high	95.7	Very high	84 Å²	84	60.1 Å²	60.1	69%	0.694	34%	0.343	S	S	*	.	H	α-helix	trans	-69.3	-24.7	178.1	0	0	0	0	0	113.6	E351 K352 A353	E351-A355 PolarHBondContact O-N 3.08Å; K352-A355 WeakPolarHBondContact O-CB 3.13Å; K352-A355 PolarHBondContact O-N 3.45Å; K352-A355 VanDerWaalsContact O-N 3.11Å; A353-A355 PolarHBondContact O-N 3.29Å
356	I	97.1	Very high	95.7	Very high	33 Å²	33	60.6 Å²	60.6	17%	0.169	35%	0.345	C	S	.	.			trans	-74.2	129.2	176.1	-61.3	162.8	0	0	0	109.8	E318 I321 E322 K325 L348 K352 A353 A354	E318-I356 HydrophobicContact CB-CD1 3.98Å; E318-I356 HydrophobicContact CG-CD1 4.18Å; I321-I356 HydrophobicContact CB-CD1 4.11Å; I321-I356 HydrophobicContact CB-CG2 4.41Å; I321-I356 HydrophobicContact CD1-CD1 4.2Å; I321-I356 HydrophobicContact CG2-CB 3.9Å; I321-I356 HydrophobicContact CG2-CD1 3.99Å; I321-I356 HydrophobicContact CG2-CG2 3.83Å; E322-I356 HydrophobicContact CB-CG2 3.89Å; E322-I356 HydrophobicContact CG-CG2 4.43Å; K325-I356 WeakPolarHBondContact CD-O 3.29Å; K325-I356 PolarHBondContact NZ-O 3.08Å; L348-I356 HydrophobicContact CD2-CD1 3.6Å; K352-I356 PolarHBondContact O-N 3.18Å; A353-I356 PolarHBondContact O-N 3.27Å; A354-I356 VanDerWaalsContact C-N 3.3Å; A354-I356 PolarHBondContact O-N 2.98Å
357	S	96.5	Very high	95.7	Very high	69 Å²	69	63.4 Å²	63.4	48%	0.483	35%	0.346	S	S	.	.			trans	-118.9	145.8	-179.8	109.3	0	0	0	0	110.8	K363	S357-K363 PolarHBondContact OG-NZ 2.85Å
358	A	97.6	Very high	95.6	Very high	7 Å²	7	64.5 Å²	64.5	6%	0.058	35%	0.347	C	S	.	.			trans	-54.2	152.3	174.8	0	0	0	0	0	113.6	K325 T326 L329 Q360 K363	K325-A358 HydrophobicContact CB-CB 4.03Å; K325-A358 WeakPolarHBondContact O-CB 3.44Å; T326-A358 WeakPolarHBondContact OG1-CA 3.33Å; L329-A358 HydrophobicContact CD1-CB 3.71Å; L329-A358 HydrophobicContact CD2-CB 4.1Å; L329-A358 HydrophobicContact CG-CB 3.93Å; A358-Q360 PolarHBondContact O-N 3.15Å; A358-K363 WeakPolarHBondContact O-CE 3.45Å; A358-K363 PolarHBondContact O-NZ 3.23Å
359	R	97.9	Very high	95.6	Very high	38 Å²	38	63.1 Å²	63.1	14%	0.143	34%	0.34	C	S	.	.			trans	-57.6	129.2	-171.8	-70.8	-178.1	178	-169.3	-2	112.9	E229 E322 T326 V361 V362 K363	E229-R359 IonicContact OE1-CZ 3.19Å; E229-R359 IonicContact OE1-NH1 2.72Å; E229-R359 IonicContact OE1-NH2 3.06Å; E229-R359 PolarHBondContact OE1-NH2 3.36Å; E229-R359 IonicContact OE2-CZ 3.56Å; E229-R359 IonicContact OE2-NH1 3.61Å; E229-R359 PolarHBondContact OE2-NH1 2.95Å; E229-R359 IonicContact OE2-NH2 3.34Å; E229-R359 PolarHBondContact OE2-NH2 3.37Å; E322-R359 VanDerWaalsContact CD-CG 3.47Å; E322-R359 HydrophobicContact CG-CG 4Å; E322-R359 IonicContact OE1-NE 2.69Å; E322-R359 IonicContact OE2-CZ 3.52Å; E322-R359 IonicContact OE2-NE 2.84Å; E322-R359 PolarHBondContact OE2-NE 2.82Å; E322-R359 IonicContact OE2-NH2 2.74Å; E322-R359 PolarHBondContact OE2-NH2 2.67Å; T326-R359 HydrophobicContact CG2-CB 4.08Å; T326-R359 HydrophobicContact CG2-CG 4.42Å; T326-R359 PolarHBondContact OG1-N 2.84Å; R359-V361 VanDerWaalsContact C-N 3.34Å; R359-V361 HydrophobicContact CB-CG1 4.49Å; R359-V361 PolarHBondContact O-N 2.96Å; R359-V362 HydrophobicContact CB-CB 4.47Å; R359-V362 HydrophobicContact CB-CG2 4.08Å; R359-V362 PolarHBondContact O-N 3.15Å; R359-V362 VanDerWaalsContact O-N 3.13Å; R359-K363 PolarHBondContact O-N 3.38Å
360	Q	96.4	Very high	95.6	Very high	105 Å²	105	63.4 Å²	63.4	49%	0.491	33%	0.334	S	S	.	.	H	α-helix	trans	-65.4	-35	-173.4	-170	59.1	28.2	0	0	113.4	A358 V362 K363 Q364	A358-Q360 PolarHBondContact O-N 3.15Å; Q360-V362 VanDerWaalsContact C-N 3.27Å; Q360-V362 PolarHBondContact O-N 2.96Å; Q360-K363 PolarHBondContact O-N 2.7Å; Q360-K363 VanDerWaalsContact OE1-CD 3.27Å; Q360-Q364 WeakPolarHBondContact O-CG 3.14Å; Q360-Q364 PolarHBondContact O-N 3.21Å
361	V	96.1	Very high	95.7	Very high	61 Å²	61	62.9 Å²	62.9	37%	0.37	33%	0.334	S	S	.	.	H	α-helix	trans	-62.4	-34.2	175.4	66.2	0	0	0	0	112.3	F236 R359 Q364 Y365	F236-V361 HydrophobicContact CD1-CG2 4.1Å; F236-V361 HydrophobicContact CD2-CG1 4.47Å; F236-V361 HydrophobicContact CD2-CG2 4.34Å; F236-V361 HydrophobicContact CE1-CG2 4.08Å; F236-V361 HydrophobicContact CE2-CG1 4.01Å; F236-V361 HydrophobicContact CE2-CG2 4.33Å; F236-V361 HydrophobicContact CG-CG2 4.24Å; F236-V361 HydrophobicContact CZ-CG1 4.27Å; F236-V361 HydrophobicContact CZ-CG2 4.2Å; R359-V361 VanDerWaalsContact C-N 3.34Å; R359-V361 HydrophobicContact CB-CG1 4.49Å; R359-V361 PolarHBondContact O-N 2.96Å; V361-Q364 PolarHBondContact O-N 2.97Å; V361-Y365 WeakPolarHBondContact O-CB 3.4Å; V361-Y365 PolarHBondContact O-N 3.33Å
362	V	97.7	Very high	95.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-76.3	-40.7	179.1	-178.1	0	0	0	0	111.2	F236 F304 T326 L329 F330 R359 Q360 Q364 Y365 I366	F236-V362 HydrophobicContact CE2-CG2 4.5Å; F236-V362 HydrophobicContact CZ-CG2 4.15Å; F304-V362 HydrophobicContact CE1-CG2 4.35Å; F304-V362 HydrophobicContact CE2-CG2 3.87Å; F304-V362 HydrophobicContact CZ-CG2 3.52Å; T326-V362 HydrophobicContact CG2-CB 3.76Å; T326-V362 HydrophobicContact CG2-CG1 3.79Å; T326-V362 HydrophobicContact CG2-CG2 3.6Å; L329-V362 HydrophobicContact CD1-CB 4.39Å; L329-V362 HydrophobicContact CD1-CG1 4.08Å; F330-V362 HydrophobicContact CD2-CG1 4.5Å; F330-V362 HydrophobicContact CE1-CG1 4.46Å; F330-V362 HydrophobicContact CE2-CG1 3.5Å; F330-V362 VanDerWaalsContact CE2-CG1 3.5Å; F330-V362 HydrophobicContact CZ-CG1 3.48Å; F330-V362 VanDerWaalsContact CZ-CG1 3.48Å; R359-V362 HydrophobicContact CB-CB 4.47Å; R359-V362 HydrophobicContact CB-CG2 4.08Å; R359-V362 PolarHBondContact O-N 3.15Å; R359-V362 VanDerWaalsContact O-N 3.13Å; Q360-V362 VanDerWaalsContact C-N 3.27Å; Q360-V362 PolarHBondContact O-N 2.96Å; V362-Q364 VanDerWaalsContact C-N 3.27Å; V362-Q364 PolarHBondContact O-N 3.09Å; V362-Y365 WeakPolarHBondContact O-CB 3.43Å; V362-Y365 PolarHBondContact O-N 2.91Å; V362-I366 HydrophobicContact CG1-CD1 3.88Å; V362-I366 HydrophobicContact CG1-CG1 4.42Å; V362-I366 WeakPolarHBondContact O-CG1 3.41Å; V362-I366 PolarHBondContact O-N 3.25Å
363	K	96.3	Very high	95.9	Very high	49 Å²	49	49.3 Å²	49.3	21%	0.213	27%	0.272	C	S	.	.	H	α-helix	trans	-55.4	-44.4	170.4	-68.2	167.3	177.6	149.8	0	111.4	L329 S357 A358 R359 Q360 I366 Q367	L329-K363 HydrophobicContact CD1-CG 3.61Å; S357-K363 PolarHBondContact OG-NZ 2.85Å; A358-K363 WeakPolarHBondContact O-CE 3.45Å; A358-K363 PolarHBondContact O-NZ 3.23Å; R359-K363 PolarHBondContact O-N 3.38Å; Q360-K363 PolarHBondContact O-N 2.7Å; Q360-K363 VanDerWaalsContact OE1-CD 3.27Å; K363-I366 PolarHBondContact O-N 2.87Å; K363-Q367 WeakPolarHBondContact O-CB 3.49Å; K363-Q367 WeakPolarHBondContact O-CG 3.38Å; K363-Q367 PolarHBondContact O-N 3.14Å
364	Q	95.3	Very high	95.9	Very high	108 Å²	108	53.8 Å²	53.8	51%	0.505	29%	0.293	S	S	.	.	H	α-helix	trans	-66.1	-43	177.8	-72.7	170.8	-35.1	0	0	112.3	Q360 V361 V362 Q367 Q368	Q360-Q364 WeakPolarHBondContact O-CG 3.14Å; Q360-Q364 PolarHBondContact O-N 3.21Å; V361-Q364 PolarHBondContact O-N 2.97Å; V362-Q364 VanDerWaalsContact C-N 3.27Å; V362-Q364 PolarHBondContact O-N 3.09Å; Q364-Q367 PolarHBondContact O-N 3.27Å; Q364-Q368 WeakPolarHBondContact O-CB 3.24Å; Q364-Q368 PolarHBondContact O-N 3.22Å
365	Y	95.9	Very high	95.8	Very high	11 Å²	11	54.3 Å²	54.3	4%	0.043	29%	0.285	C	S	.	.	H	α-helix	trans	-56	-50.1	173.4	174.3	-80.4	0	0	0	111.8	Y235 F236 Y239 L300 F330 V361 V362 Q368 S369 W393	Y235-Y365 HydrophobicContact CE1-CE2 4.46Å; F236-Y365 AromaticContact CE1-CD2 3.92Å; F236-Y365 HydrophobicContact CE1-CD2 3.92Å; F236-Y365 HydrophobicContact CE1-CG 4.41Å; Y239-Y365 HydrophobicContact CD1-CD2 4.21Å; Y239-Y365 HydrophobicContact CD1-CE2 4.13Å; Y239-Y365 HydrophobicContact CD2-CE2 4.31Å; Y239-Y365 AromaticContact CE1-CD2 3.56Å; Y239-Y365 HydrophobicContact CE1-CD2 3.56Å; Y239-Y365 AromaticContact CE1-CE2 3.49Å; Y239-Y365 HydrophobicContact CE1-CE2 3.49Å; Y239-Y365 VanDerWaalsContact CE1-CE2 3.49Å; Y239-Y365 AromaticContact CE2-CE2 3.72Å; Y239-Y365 HydrophobicContact CE2-CE2 3.72Å; Y239-Y365 AromaticContact CZ-CD2 3.8Å; Y239-Y365 AromaticContact CZ-CE2 3.25Å; Y239-Y365 WeakPolarHBondContact OH-CE2 3.23Å; L300-Y365 HydrophobicContact CD2-CD1 4.03Å; L300-Y365 HydrophobicContact CD2-CD2 4.16Å; L300-Y365 HydrophobicContact CD2-CE1 3.76Å; L300-Y365 HydrophobicContact CD2-CE2 3.85Å; L300-Y365 HydrophobicContact CD2-CG 4.25Å; F330-Y365 HydrophobicContact CE1-CD1 4.29Å; F330-Y365 HydrophobicContact CE1-CE1 4.17Å; V361-Y365 WeakPolarHBondContact O-CB 3.4Å; V361-Y365 PolarHBondContact O-N 3.33Å; V362-Y365 WeakPolarHBondContact O-CB 3.43Å; V362-Y365 PolarHBondContact O-N 2.91Å; Y365-Q368 PolarHBondContact O-N 3.45Å; Y365-S369 WeakPolarHBondContact O-CB 3.27Å; Y365-S369 PolarHBondContact O-N 2.66Å; Y365-W393 HydrophobicContact CE1-CH2 4.3Å; Y365-W393 AromaticContact CE1-CZ2 3.81Å; Y365-W393 HydrophobicContact CE1-CZ2 3.81Å
366	I	96.2	Very high	95.7	Very high	17 Å²	17	50.4 Å²	50.4	9%	0.087	25%	0.252	C	S	.	.	H	α-helix	trans	-66.1	-45.5	-177.9	-68.7	170.2	0	0	0	110.5	L329 F330 V362 K363 Q368 S369 I370 W393	L329-I366 HydrophobicContact CB-CD1 3.43Å; L329-I366 VanDerWaalsContact CB-CD1 3.43Å; L329-I366 HydrophobicContact CD1-CD1 4.29Å; F330-I366 HydrophobicContact CD1-CD1 3.73Å; F330-I366 HydrophobicContact CD1-CG1 4.02Å; F330-I366 HydrophobicContact CD2-CD1 4.32Å; F330-I366 HydrophobicContact CE1-CD1 3.7Å; F330-I366 HydrophobicContact CE1-CG1 3.71Å; F330-I366 HydrophobicContact CE2-CD1 4.29Å; F330-I366 HydrophobicContact CG-CD1 4.06Å; F330-I366 HydrophobicContact CZ-CD1 4Å; F330-I366 HydrophobicContact CZ-CG1 4.27Å; V362-I366 HydrophobicContact CG1-CD1 3.88Å; V362-I366 HydrophobicContact CG1-CG1 4.42Å; V362-I366 WeakPolarHBondContact O-CG1 3.41Å; V362-I366 PolarHBondContact O-N 3.25Å; K363-I366 PolarHBondContact O-N 2.87Å; I366-Q368 VanDerWaalsContact C-N 3.33Å; I366-Q368 PolarHBondContact O-N 3.38Å; I366-S369 PolarHBondContact O-N 2.85Å; I366-I370 HydrophobicContact CG2-CD1 3.67Å; I366-I370 HydrophobicContact CG2-CG1 4.35Å; I366-I370 WeakPolarHBondContact O-CB 3.31Å; I366-I370 WeakPolarHBondContact O-CG1 3.49Å; I366-I370 PolarHBondContact O-N 2.91Å; I366-W393 HydrophobicContact CG1-CH2 4.44Å; I366-W393 HydrophobicContact CG1-CZ3 4.29Å; I366-W393 HydrophobicContact CG2-CZ3 4.05Å
367	Q	95.3	Very high	95.5	Very high	129 Å²	129	49.1 Å²	49.1	60%	0.603	25%	0.246	S	C	*	.	H	α-helix	trans	-59.4	-41.6	176	-75.3	172.2	-24.3	0	0	112.4	K363 Q364 L371	K363-Q367 WeakPolarHBondContact O-CB 3.49Å; K363-Q367 WeakPolarHBondContact O-CG 3.38Å; K363-Q367 PolarHBondContact O-N 3.14Å; Q364-Q367 PolarHBondContact O-N 3.27Å; Q367-L371 WeakPolarHBondContact O-CB 3.26Å; Q367-L371 PolarHBondContact O-N 3.26Å
368	Q	94.1	Very high	95.3	Very high	91 Å²	91	51.8 Å²	51.8	43%	0.425	25%	0.249	S	C	.	.	H	α-helix	trans	-68.2	-47.5	176.4	178	160.1	26.1	0	0	112.1	Q364 Y365 I366 L371 E372	Q364-Q368 WeakPolarHBondContact O-CB 3.24Å; Q364-Q368 PolarHBondContact O-N 3.22Å; Y365-Q368 PolarHBondContact O-N 3.45Å; I366-Q368 VanDerWaalsContact C-N 3.33Å; I366-Q368 PolarHBondContact O-N 3.38Å; Q368-L371 PolarHBondContact O-N 3.12Å; Q368-E372 HydrophobicContact CG-CG 4.34Å; Q368-E372 WeakPolarHBondContact CG-OE1 3.42Å; Q368-E372 PolarHBondContact NE2-OE1 3.45Å; Q368-E372 WeakPolarHBondContact O-CB 3.31Å; Q368-E372 VanDerWaalsContact O-CG 3.26Å; Q368-E372 WeakPolarHBondContact O-CG 3.25Å; Q368-E372 PolarHBondContact O-N 3.05Å
369	S	95.8	Very high	94.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.7	-40.6	-179	172.3	0	0	0	0	112.2	Q280 Y365 I366 E372 K373 W393	Q280-S369 PolarHBondContact OE1-OG 3.03Å; Y365-S369 WeakPolarHBondContact O-CB 3.27Å; Y365-S369 PolarHBondContact O-N 2.66Å; I366-S369 PolarHBondContact O-N 2.85Å; S369-E372 PolarHBondContact O-N 2.9Å; S369-K373 WeakPolarHBondContact O-CB 3.15Å; S369-K373 WeakPolarHBondContact O-CD 3.13Å; S369-K373 WeakPolarHBondContact O-CG 3.47Å; S369-K373 PolarHBondContact O-N 3.37Å; S369-K373 VanDerWaalsContact OG-CE 3.23Å; S369-K373 WeakPolarHBondContact OG-CE 3.48Å; S369-K373 PolarHBondContact OG-NZ 3.31Å; S369-W393 WeakPolarHBondContact OG-CH2 3.29Å
370	I	96.1	Very high	94.4	Very high	37 Å²	37	50.8 Å²	50.8	19%	0.19	24%	0.244	C	C	.	.	H	α-helix	trans	-60.8	-50	174.6	-70.8	172.8	0	0	0	110.8	I366 E372 K373 E374 W393 P395 V398	I366-I370 HydrophobicContact CG2-CD1 3.67Å; I366-I370 HydrophobicContact CG2-CG1 4.35Å; I366-I370 WeakPolarHBondContact O-CB 3.31Å; I366-I370 WeakPolarHBondContact O-CG1 3.49Å; I366-I370 PolarHBondContact O-N 2.91Å; I370-E372 VanDerWaalsContact C-N 3.31Å; I370-E372 PolarHBondContact O-N 3.17Å; I370-K373 CarbonylContact O-C 3.57Å; I370-K373 WeakPolarHBondContact O-CB 3.49Å; I370-K373 PolarHBondContact O-N 2.92Å; I370-K373 VanDerWaalsContact O-N 3.11Å; I370-E374 HydrophobicContact CG2-CG 4.4Å; I370-E374 WeakPolarHBondContact O-CG 3.44Å; I370-E374 PolarHBondContact O-N 2.66Å; I370-W393 HydrophobicContact CG1-CZ3 4.3Å; I370-P395 HydrophobicContact CD1-CG 4.46Å; I370-V398 HydrophobicContact CG2-CG1 4.47Å; I370-V398 HydrophobicContact CG2-CG2 3.86Å
371	L	94.6	Very high	93.9	Very high	100 Å²	100	49.2 Å²	49.2	52%	0.524	24%	0.237	S	C	.	.	H	α-helix	trans	-61.3	-39.1	179.3	-178.4	65.1	0	0	0	112.4	Q367 Q368 K373 E374 L375	Q367-L371 WeakPolarHBondContact O-CB 3.26Å; Q367-L371 PolarHBondContact O-N 3.26Å; Q368-L371 PolarHBondContact O-N 3.12Å; L371-K373 VanDerWaalsContact C-N 3.35Å; L371-E374 PolarHBondContact O-N 2.91Å; L371-L375 WeakPolarHBondContact O-CG 3.12Å; L371-L375 PolarHBondContact O-N 2.8Å
372	E	94.1	Very high	93.5	Very high	19 Å²	19	48.8 Å²	48.8	9%	0.089	24%	0.24	C	C	.	.	H	α-helix	trans	-68.5	-34.1	176.4	-70.1	178.4	-173.1	0	0	111.8	R243 L276 Q280 Q368 S369 I370 L376	R243-E372 IonicContact CZ-OE1 3.33Å; R243-E372 IonicContact CZ-OE2 2.77Å; R243-E372 VanDerWaalsContact CZ-OE2 3.31Å; R243-E372 IonicContact NH1-OE2 3.75Å; R243-E372 PolarHBondContact NH1-OE2 3.38Å; R243-E372 IonicContact NH2-OE1 3.84Å; R243-E372 PolarHBondContact NH2-OE1 3.09Å; R243-E372 IonicContact NH2-OE2 2.77Å; R243-E372 PolarHBondContact NH2-OE2 3.32Å; L276-E372 HydrophobicContact CD2-CB 4.05Å; L276-E372 HydrophobicContact CD2-CG 3.66Å; Q280-E372 PolarHBondContact NE2-OE2 3.11Å; Q368-E372 HydrophobicContact CG-CG 4.34Å; Q368-E372 WeakPolarHBondContact CG-OE1 3.42Å; Q368-E372 PolarHBondContact NE2-OE1 3.45Å; Q368-E372 WeakPolarHBondContact O-CB 3.31Å; Q368-E372 VanDerWaalsContact O-CG 3.26Å; Q368-E372 WeakPolarHBondContact O-CG 3.25Å; Q368-E372 PolarHBondContact O-N 3.05Å; S369-E372 PolarHBondContact O-N 2.9Å; I370-E372 VanDerWaalsContact C-N 3.31Å; I370-E372 PolarHBondContact O-N 3.17Å; E372-L376 WeakPolarHBondContact O-CD1 3.49Å; E372-L376 VanDerWaalsContact O-CG 3.27Å; E372-L376 WeakPolarHBondContact O-CG 3.22Å; E372-L376 PolarHBondContact O-N 3.43Å
373	K	96	Very high	92.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-71.2	-39.2	172.9	-73.2	165.6	179.6	170.9	0	113	Q280 S369 I370 L371 L375 L376 Y377 F387 D389 D391 T394 V398	Q280-K373 HydrophobicContact CG-CG 4.48Å; Q280-K373 VanDerWaalsContact OE1-CE 3.26Å; S369-K373 WeakPolarHBondContact O-CB 3.15Å; S369-K373 WeakPolarHBondContact O-CD 3.13Å; S369-K373 WeakPolarHBondContact O-CG 3.47Å; S369-K373 PolarHBondContact O-N 3.37Å; S369-K373 VanDerWaalsContact OG-CE 3.23Å; S369-K373 WeakPolarHBondContact OG-CE 3.48Å; S369-K373 PolarHBondContact OG-NZ 3.31Å; I370-K373 CarbonylContact O-C 3.57Å; I370-K373 WeakPolarHBondContact O-CB 3.49Å; I370-K373 PolarHBondContact O-N 2.92Å; I370-K373 VanDerWaalsContact O-N 3.11Å; L371-K373 VanDerWaalsContact C-N 3.35Å; K373-L375 VanDerWaalsContact C-N 3.28Å; K373-L375 PolarHBondContact O-N 3.3Å; K373-L376 PolarHBondContact O-N 2.79Å; K373-Y377 HydrophobicContact CB-CD2 4.36Å; K373-Y377 HydrophobicContact CB-CE2 4.22Å; K373-Y377 WeakPolarHBondContact O-CB 3.37Å; K373-Y377 WeakPolarHBondContact O-CD2 3.32Å; K373-Y377 PolarHBondContact O-N 3.14Å; K373-F387 HydrophobicContact CB-CE1 4.39Å; K373-F387 HydrophobicContact CG-CE1 4Å; K373-F387 HydrophobicContact CG-CZ 3.99Å; K373-D389 WeakPolarHBondContact CE-OD1 3.37Å; K373-D389 IonicContact NZ-OD1 3.45Å; K373-D389 PolarHBondContact NZ-OD1 2.59Å; K373-D391 VanDerWaalsContact NZ-CB 3.32Å; K373-D391 IonicContact NZ-OD2 2.83Å; K373-D391 PolarHBondContact NZ-OD2 3.41Å; K373-T394 HydrophobicContact CD-CG2 4.02Å; K373-T394 WeakPolarHBondContact CD-OG1 3.49Å; K373-T394 PolarHBondContact NZ-OG1 3.24Å; K373-V398 HydrophobicContact CB-CG1 4.07Å
374	E	94.5	Very high	92.1	Very high	95 Å²	95	54.3 Å²	54.3	44%	0.444	28%	0.277	S	S	.	.	H	α-helix	trans	-56.4	-44.5	172.7	-72.9	178.9	168.3	0	0	110.9	I370 L371 F378 V398	I370-E374 HydrophobicContact CG2-CG 4.4Å; I370-E374 WeakPolarHBondContact O-CG 3.44Å; I370-E374 PolarHBondContact O-N 2.66Å; L371-E374 PolarHBondContact O-N 2.91Å; E374-F378 VanDerWaalsContact O-CB 3.3Å; E374-F378 WeakPolarHBondContact O-CB 3.44Å; E374-F378 PolarHBondContact O-N 3.42Å; E374-V398 HydrophobicContact CG-CG1 3.93Å
375	L	92.3	Very high	91.4	Very high	88 Å²	88	51.5 Å²	51.5	46%	0.461	27%	0.265	S	S	.	.	H	α-helix	trans	-66	-42.9	175.8	-68.5	171.6	0	0	0	112.5	L276 L371 K373 F378 G379	L276-L375 HydrophobicContact CD1-CB 3.99Å; L276-L375 HydrophobicContact CD1-CD1 4.18Å; L371-L375 WeakPolarHBondContact O-CG 3.12Å; L371-L375 PolarHBondContact O-N 2.8Å; K373-L375 VanDerWaalsContact C-N 3.28Å; K373-L375 PolarHBondContact O-N 3.3Å; L375-F378 PolarHBondContact O-N 2.93Å; L375-G379 PolarHBondContact O-N 3.04Å
376	L	93.9	Very high	90.8	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-65.3	-43.2	177.6	-75	162.9	0	0	0	112.4	M273 L276 N277 Q280 E372 K373 G379 Y380 F387	M273-L376 HydrophobicContact CE-CD2 3.82Å; M273-L376 WeakPolarHBondContact CE-O 3.3Å; M273-L376 HydrophobicContact SD-CD2 4Å; L276-L376 HydrophobicContact CB-CD1 4.03Å; L276-L376 HydrophobicContact CB-CD2 3.78Å; L276-L376 HydrophobicContact CB-CG 3.9Å; N277-L376 HydrophobicContact CB-CD2 4.17Å; Q280-L376 HydrophobicContact CG-CD1 3.78Å; E372-L376 WeakPolarHBondContact O-CD1 3.49Å; E372-L376 VanDerWaalsContact O-CG 3.27Å; E372-L376 WeakPolarHBondContact O-CG 3.22Å; E372-L376 PolarHBondContact O-N 3.43Å; K373-L376 PolarHBondContact O-N 2.79Å; L376-G379 PolarHBondContact O-N 2.87Å; L376-Y380 PolarHBondContact O-N 3.44Å; L376-F387 HydrophobicContact CB-CB 4.19Å; L376-F387 HydrophobicContact CB-CD1 3.65Å; L376-F387 HydrophobicContact CB-CD2 4.17Å; L376-F387 HydrophobicContact CB-CE1 4.05Å; L376-F387 HydrophobicContact CB-CG 3.72Å; L376-F387 HydrophobicContact CB-CZ 4.49Å; L376-F387 HydrophobicContact CD1-CD1 4.45Å; L376-F387 HydrophobicContact CD1-CD2 3.89Å; L376-F387 HydrophobicContact CD1-CE1 4.24Å; L376-F387 HydrophobicContact CD1-CE2 3.67Å; L376-F387 HydrophobicContact CD1-CG 4.3Å; L376-F387 HydrophobicContact CD1-CZ 3.85Å; L376-F387 HydrophobicContact CD2-CD2 4.37Å; L376-F387 HydrophobicContact CG-CD2 4.38Å; L376-F387 HydrophobicContact CG-CG 4.41Å
377	Y	93.6	Very high	90.4	Very high	7 Å²	7	55.2 Å²	55.2	3%	0.027	29%	0.29	C	S	.	.	H	α-helix	trans	-68.2	-35.1	174.4	-72.1	-54.9	0	0	0	112.7	K373 Y380 E381 F387 D389 V398 M399 P400 L403	K373-Y377 HydrophobicContact CB-CD2 4.36Å; K373-Y377 HydrophobicContact CB-CE2 4.22Å; K373-Y377 WeakPolarHBondContact O-CB 3.37Å; K373-Y377 WeakPolarHBondContact O-CD2 3.32Å; K373-Y377 PolarHBondContact O-N 3.14Å; Y377-Y380 PolarHBondContact O-N 2.97Å; Y377-E381 PolarHBondContact O-N 3.28Å; Y377-F387 AromaticContact CD1-CD1 3.89Å; Y377-F387 HydrophobicContact CD1-CD1 3.89Å; Y377-F387 AromaticContact CE1-CD1 3.72Å; Y377-F387 HydrophobicContact CE1-CD1 3.72Å; Y377-F387 HydrophobicContact CE1-CE1 4.08Å; Y377-F387 HydrophobicContact CE2-CD1 4.45Å; Y377-F387 HydrophobicContact CE2-CE1 4.14Å; Y377-F387 HydrophobicContact CG-CD1 4.33Å; Y377-F387 AromaticContact CZ-CE1 3.89Å; Y377-D389 VanDerWaalsContact OH-CB 3.29Å; Y377-D389 WeakPolarHBondContact OH-CB 3.33Å; Y377-D389 PolarHBondContact OH-OD2 2.91Å; Y377-V398 HydrophobicContact CD2-CG1 4.07Å; Y377-V398 HydrophobicContact CE2-CG1 4.09Å; Y377-M399 HydrophobicContact CD1-CG 4.06Å; Y377-M399 HydrophobicContact CD2-CB 4.41Å; Y377-M399 HydrophobicContact CE1-CB 4.34Å; Y377-M399 HydrophobicContact CE1-CE 3.68Å; Y377-M399 HydrophobicContact CE1-CG 3.87Å; Y377-M399 HydrophobicContact CE1-SD 4.47Å; Y377-M399 HydrophobicContact CE2-CB 4.13Å; Y377-M399 HydrophobicContact CG-CG 4.47Å; Y377-M399 WeakPolarHBondContact OH-CE 3.37Å; Y377-P400 VanDerWaalsContact CB-CD 3.5Å; Y377-L403 HydrophobicContact CD1-CD1 4.26Å; Y377-L403 WeakPolarHBondContact O-CD1 3.15Å
378	F	90.8	Very high	90.1	Very high	124 Å²	124	54.8 Å²	54.8	54%	0.544	30%	0.296	S	S	.	.	H	α-helix	trans	-61.2	-46	170.7	172.9	-96.5	0	0	0	111	E374 L375 Y380 E381 A382 F383	E374-F378 VanDerWaalsContact O-CB 3.3Å; E374-F378 WeakPolarHBondContact O-CB 3.44Å; E374-F378 PolarHBondContact O-N 3.42Å; L375-F378 PolarHBondContact O-N 2.93Å; F378-Y380 VanDerWaalsContact C-N 3.29Å; F378-Y380 PolarHBondContact O-N 3.26Å; F378-E381 PolarHBondContact O-N 3.05Å; F378-A382 HydrophobicContact CE1-CB 4.21Å; F378-A382 HydrophobicContact CE2-CB 4.36Å; F378-A382 HydrophobicContact CZ-CB 4.08Å; F378-A382 VanDerWaalsContact O-CB 3.22Å; F378-A382 WeakPolarHBondContact O-CB 3.2Å; F378-A382 PolarHBondContact O-N 3.35Å; F378-F383 HydrophobicContact CE1-CE2 4.19Å
379	G	87.7	Confident	89.9	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-61.2	-36.7	176.5	0	0	0	0	0	113.1	L375 L376 F383 G384	L375-G379 PolarHBondContact O-N 3.04Å; L376-G379 PolarHBondContact O-N 2.87Å; G379-F383 WeakPolarHBondContact O-CA 3.5Å; G379-F383 WeakPolarHBondContact O-CB 3.43Å; G379-F383 PolarHBondContact O-N 3.42Å; G379-G384 PolarHBondContact O-N 2.82Å
380	Y	88.7	Confident	89.7	Confident	23 Å²	23	54.3 Å²	54.3	9%	0.09	30%	0.298	C	S	.	.	H	α-helix	trans	-68.5	-41.8	174.1	-172.3	-166.3	0	0	0	112.7	L376 Y377 F378 G384 I385 T386 L403 K406 H407	L376-Y380 PolarHBondContact O-N 3.44Å; Y377-Y380 PolarHBondContact O-N 2.97Å; F378-Y380 VanDerWaalsContact C-N 3.29Å; F378-Y380 PolarHBondContact O-N 3.26Å; Y380-G384 VanDerWaalsContact O-CA 3.3Å; Y380-G384 WeakPolarHBondContact O-CA 3.07Å; Y380-G384 PolarHBondContact O-N 3.16Å; Y380-G384 VanDerWaalsContact O-N 3.15Å; Y380-I385 WeakPolarHBondContact CA-O 3.5Å; Y380-I385 WeakPolarHBondContact CB-O 3.31Å; Y380-I385 WeakPolarHBondContact CD2-O 3.31Å; Y380-T386 HydrophobicContact CD2-CG2 4.45Å; Y380-T386 HydrophobicContact CE2-CG2 3.86Å; Y380-L403 HydrophobicContact CD1-CD1 3.79Å; Y380-L403 HydrophobicContact CD1-CD2 4.02Å; Y380-L403 HydrophobicContact CD2-CD2 4.44Å; Y380-L403 HydrophobicContact CE1-CD1 4.48Å; Y380-L403 HydrophobicContact CE1-CD2 4.06Å; Y380-L403 HydrophobicContact CE2-CD2 4.46Å; Y380-L403 HydrophobicContact CG-CD1 4.07Å; Y380-L403 HydrophobicContact CG-CD2 4.18Å; Y380-K406 PolarHBondContact OH-NZ 3.32Å; Y380-H407 AromaticContact CE1-NE2 3.41Å; Y380-H407 WeakPolarHBondContact CE1-NE2 3.22Å; Y380-H407 AromaticContact CZ-NE2 3.89Å; Y380-H407 PolarHBondContact OH-NE2 3.47Å
381	E	87.9	Confident	89.5	Confident	73 Å²	73	53.8 Å²	53.8	34%	0.341	30%	0.296	S	S	.	.	H	α-helix	trans	-71.6	-34.7	176.8	-173	171.7	172.6	0	0	113	Y377 F378 P400 K402 L403	Y377-E381 PolarHBondContact O-N 3.28Å; F378-E381 PolarHBondContact O-N 3.05Å; E381-P400 WeakPolarHBondContact OE2-CB 3.28Å; E381-K402 WeakPolarHBondContact OE1-CD 3.45Å; E381-K402 WeakPolarHBondContact OE1-CE 3.35Å; E381-K402 IonicContact OE1-NZ 3.22Å; E381-K402 PolarHBondContact OE1-NZ 3.17Å; E381-L403 HydrophobicContact CB-CD1 4.06Å; E381-L403 HydrophobicContact CB-CG 4.23Å
382	A	86.9	Confident	89.3	Confident	52 Å²	52	53.6 Å²	53.6	43%	0.43	30%	0.299	S	S	.	.	H	α-helix	trans	-88.6	-38.4	-174.4	0	0	0	0	0	114.1	F378	F378-A382 HydrophobicContact CE1-CB 4.21Å; F378-A382 HydrophobicContact CE2-CB 4.36Å; F378-A382 HydrophobicContact CZ-CB 4.08Å; F378-A382 VanDerWaalsContact O-CB 3.22Å; F378-A382 WeakPolarHBondContact O-CB 3.2Å; F378-A382 PolarHBondContact O-N 3.35Å
383	F	82.4	Confident	89.3	Confident	117 Å²	117	53.3 Å²	53.3	51%	0.513	30%	0.297	S	S	.	.	H	α-helix	trans	-121	-5.7	-172.1	-49.1	-65.2	0	0	0	113.6	T269 F378 G379 I385	T269-F383 HydrophobicContact CG2-CD2 3.69Å; T269-F383 HydrophobicContact CG2-CE2 3.63Å; T269-F383 HydrophobicContact CG2-CG 4.42Å; T269-F383 HydrophobicContact CG2-CZ 4.3Å; F378-F383 HydrophobicContact CE1-CE2 4.19Å; G379-F383 WeakPolarHBondContact O-CA 3.5Å; G379-F383 WeakPolarHBondContact O-CB 3.43Å; G379-F383 PolarHBondContact O-N 3.42Å; F383-I385 HydrophobicContact CB-CD1 3.98Å; F383-I385 HydrophobicContact CB-CG1 4.12Å; F383-I385 PolarHBondContact O-N 3.26Å
384	G	81.4	Confident	89.2	Confident	47 Å²	47	54.4 Å²	54.4	49%	0.485	30%	0.304	S	S	.	.			trans	79.2	-0.9	179	0	0	0	0	0	115.2	G379 Y380 T386	G379-G384 PolarHBondContact O-N 2.82Å; Y380-G384 VanDerWaalsContact O-CA 3.3Å; Y380-G384 WeakPolarHBondContact O-CA 3.07Å; Y380-G384 PolarHBondContact O-N 3.16Å; Y380-G384 VanDerWaalsContact O-N 3.15Å; G384-T386 PolarHBondContact O-N 2.85Å
385	I	81.6	Confident	89.2	Confident	50 Å²	50	52.4 Å²	52.4	26%	0.256	30%	0.299	S	S	.	.			trans	-63.6	113	178.4	-58.9	165.7	0	0	0	108.9	D270 M273 Y380 F383	D270-I385 WeakPolarHBondContact OD1-CD1 3.18Å; M273-I385 HydrophobicContact CB-CD1 4.16Å; M273-I385 HydrophobicContact CB-CG2 4.18Å; M273-I385 HydrophobicContact CE-CB 3.96Å; M273-I385 HydrophobicContact CE-CD1 4.49Å; M273-I385 HydrophobicContact CE-CG2 3.76Å; M273-I385 HydrophobicContact CG-CD1 3.85Å; Y380-I385 WeakPolarHBondContact CA-O 3.5Å; Y380-I385 WeakPolarHBondContact CB-O 3.31Å; Y380-I385 WeakPolarHBondContact CD2-O 3.31Å; F383-I385 HydrophobicContact CB-CD1 3.98Å; F383-I385 HydrophobicContact CB-CG1 4.12Å; F383-I385 PolarHBondContact O-N 3.26Å
386	T	82.8	Confident	89.1	Confident	103 Å²	103	54.7 Å²	54.7	63%	0.632	31%	0.308	S	S	*	.			trans	-69.1	133.9	-173	43.6	0	0	0	0	112.3	Y380 G384	Y380-T386 HydrophobicContact CD2-CG2 4.45Å; Y380-T386 HydrophobicContact CE2-CG2 3.86Å; G384-T386 PolarHBondContact O-N 2.85Å
387	F	88.3	Confident	88.9	Confident	3 Å²	3	60.9 Å²	60.9	1%	0.013	34%	0.341	C	S	.	.			trans	-124.3	133.5	170.5	173.1	-124.9	0	0	0	110.1	Q280 K373 L376 Y377 D389	Q280-F387 HydrophobicContact CB-CE2 4.47Å; K373-F387 HydrophobicContact CB-CE1 4.39Å; K373-F387 HydrophobicContact CG-CE1 4Å; K373-F387 HydrophobicContact CG-CZ 3.99Å; L376-F387 HydrophobicContact CB-CB 4.19Å; L376-F387 HydrophobicContact CB-CD1 3.65Å; L376-F387 HydrophobicContact CB-CD2 4.17Å; L376-F387 HydrophobicContact CB-CE1 4.05Å; L376-F387 HydrophobicContact CB-CG 3.72Å; L376-F387 HydrophobicContact CB-CZ 4.49Å; L376-F387 HydrophobicContact CD1-CD1 4.45Å; L376-F387 HydrophobicContact CD1-CD2 3.89Å; L376-F387 HydrophobicContact CD1-CE1 4.24Å; L376-F387 HydrophobicContact CD1-CE2 3.67Å; L376-F387 HydrophobicContact CD1-CG 4.3Å; L376-F387 HydrophobicContact CD1-CZ 3.85Å; L376-F387 HydrophobicContact CD2-CD2 4.37Å; L376-F387 HydrophobicContact CG-CD2 4.38Å; L376-F387 HydrophobicContact CG-CG 4.41Å; Y377-F387 AromaticContact CD1-CD1 3.89Å; Y377-F387 HydrophobicContact CD1-CD1 3.89Å; Y377-F387 AromaticContact CE1-CD1 3.72Å; Y377-F387 HydrophobicContact CE1-CD1 3.72Å; Y377-F387 HydrophobicContact CE1-CE1 4.08Å; Y377-F387 HydrophobicContact CE2-CD1 4.45Å; Y377-F387 HydrophobicContact CE2-CE1 4.14Å; Y377-F387 HydrophobicContact CG-CD1 4.33Å; Y377-F387 AromaticContact CZ-CE1 3.89Å; F387-D389 HydrophobicContact CE1-CB 4.05Å; F387-D389 HydrophobicContact CZ-CB 4.1Å
388	V	87.6	Confident	88.9	Confident	120 Å²	120	61.3 Å²	61.3	73%	0.727	34%	0.344	S	S	*	.			trans	-115.6	116.8	172.4	-179.6	0	0	0	0	107.3	P390	V388-P390 WeakPolarHBondContact O-CD 3.36Å
389	D	90.9	Very high	88.9	Confident	35 Å²	35	57 Å²	57	19%	0.187	33%	0.326	C	S	.	.			trans	-71.6	122.8	-179.1	-161	-27.3	0	0	0	110.6	K373 Y377 F387 D391 T394	K373-D389 WeakPolarHBondContact CE-OD1 3.37Å; K373-D389 IonicContact NZ-OD1 3.45Å; K373-D389 PolarHBondContact NZ-OD1 2.59Å; Y377-D389 VanDerWaalsContact OH-CB 3.29Å; Y377-D389 WeakPolarHBondContact OH-CB 3.33Å; Y377-D389 PolarHBondContact OH-OD2 2.91Å; F387-D389 HydrophobicContact CE1-CB 4.05Å; F387-D389 HydrophobicContact CZ-CB 4.1Å; D389-D391 VanDerWaalsContact C-N 3.3Å; D389-D391 PolarHBondContact OD1-N 2.96Å; D389-D391 VanDerWaalsContact OD1-N 3.1Å; D389-T394 VanDerWaalsContact CG-OG1 3.31Å; D389-T394 PolarHBondContact OD1-OG1 2.91Å; D389-T394 VanDerWaalsContact OD2-CB 3.23Å; D389-T394 WeakPolarHBondContact OD2-CB 3.43Å; D389-T394 VanDerWaalsContact OD2-CG2 3.32Å; D389-T394 WeakPolarHBondContact OD2-CG2 3.45Å; D389-T394 PolarHBondContact OD2-OG1 3.3Å
390	P	90.9	Very high	89.1	Confident	46 Å²	46	58.5 Å²	58.5	30%	0.299	34%	0.335	S	S	.	.			trans	-77	-14.9	179	31.4	-36.1	0	0	0	113.7	Q280 V284 V388	Q280-P390 HydrophobicContact CB-CG 4.29Å; V284-P390 HydrophobicContact CG2-CB 3.29Å; V284-P390 HydrophobicContact CG2-CG 4.35Å; V388-P390 WeakPolarHBondContact O-CD 3.36Å
391	D	92.3	Very high	89.2	Confident	25 Å²	25	64.8 Å²	64.8	13%	0.134	36%	0.363	C	S	.	.			trans	-107.1	129.2	-170.2	-70.4	-67.3	0	0	0	112.6	K373 D389 W393	K373-D391 VanDerWaalsContact NZ-CB 3.32Å; K373-D391 IonicContact NZ-OD2 2.83Å; K373-D391 PolarHBondContact NZ-OD2 3.41Å; D389-D391 VanDerWaalsContact C-N 3.3Å; D389-D391 PolarHBondContact OD1-N 2.96Å; D389-D391 VanDerWaalsContact OD1-N 3.1Å; D391-W393 VanDerWaalsContact C-N 3.29Å; D391-W393 HydrophobicContact CB-CD2 4.16Å; D391-W393 HydrophobicContact CB-CG 4.28Å; D391-W393 HydrophobicContact CB-CZ2 3.9Å; D391-W393 VanDerWaalsContact CB-NE1 3.32Å; D391-W393 VanDerWaalsContact CG-CE2 3.43Å; D391-W393 VanDerWaalsContact CG-CZ2 3.45Å; D391-W393 PolarHBondContact O-N 3.36Å; D391-W393 PolarHBondContact OD1-NE1 3.33Å; D391-W393 WeakPolarHBondContact OD2-CZ2 3.49Å
392	T	90.6	Very high	89.2	Confident	97 Å²	97	68.5 Å²	68.5	60%	0.595	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-21	174.7	41.6	0	0	0	0	113.9	D298	D298-T392 PolarHBondContact OD1-OG1 3.48Å; D298-T392 VanDerWaalsContact OD1-OG1 3.11Å; D298-T392 PolarHBondContact OD2-OG1 3.27Å
393	W	94	Very high	89.3	Confident	13 Å²	13	66.5 Å²	66.5	5%	0.049	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-2.2	-175.5	58	-97.5	0	0	0	114.4	F330 Y365 I366 S369 I370 D391 P395	F330-W393 HydrophobicContact CB-CB 3.93Å; F330-W393 HydrophobicContact CB-CG 4.11Å; F330-W393 HydrophobicContact CD1-CB 4.48Å; F330-W393 AromaticContact CD1-CD1 3.9Å; F330-W393 AromaticContact CD1-CD2 3.61Å; F330-W393 HydrophobicContact CD1-CD2 3.61Å; F330-W393 AromaticContact CD1-CE2 3.81Å; F330-W393 HydrophobicContact CD1-CE3 4.09Å; F330-W393 AromaticContact CD1-CG 3.75Å; F330-W393 HydrophobicContact CD1-CG 3.75Å; F330-W393 HydrophobicContact CD1-CZ2 4.49Å; F330-W393 AromaticContact CD1-NE1 3.93Å; F330-W393 HydrophobicContact CE1-CD2 4.34Å; F330-W393 HydrophobicContact CE1-CZ2 4.44Å; F330-W393 HydrophobicContact CG-CG 4.41Å; Y365-W393 HydrophobicContact CE1-CH2 4.3Å; Y365-W393 AromaticContact CE1-CZ2 3.81Å; Y365-W393 HydrophobicContact CE1-CZ2 3.81Å; I366-W393 HydrophobicContact CG1-CH2 4.44Å; I366-W393 HydrophobicContact CG1-CZ3 4.29Å; I366-W393 HydrophobicContact CG2-CZ3 4.05Å; S369-W393 WeakPolarHBondContact OG-CH2 3.29Å; I370-W393 HydrophobicContact CG1-CZ3 4.3Å; D391-W393 VanDerWaalsContact C-N 3.29Å; D391-W393 HydrophobicContact CB-CD2 4.16Å; D391-W393 HydrophobicContact CB-CG 4.28Å; D391-W393 HydrophobicContact CB-CZ2 3.9Å; D391-W393 VanDerWaalsContact CB-NE1 3.32Å; D391-W393 VanDerWaalsContact CG-CE2 3.43Å; D391-W393 VanDerWaalsContact CG-CZ2 3.45Å; D391-W393 PolarHBondContact O-N 3.36Å; D391-W393 PolarHBondContact OD1-NE1 3.33Å; D391-W393 WeakPolarHBondContact OD2-CZ2 3.49Å; W393-P395 WeakPolarHBondContact O-CD 3.37Å
394	T	94.5	Very high	89.5	Confident	23 Å²	23	64.4 Å²	64.4	14%	0.141	35%	0.349	C	S	.	.	S	Bend	trans	-61.7	124.3	177.5	-58.4	0	0	0	0	110.8	K373 D389 V398	K373-T394 HydrophobicContact CD-CG2 4.02Å; K373-T394 WeakPolarHBondContact CD-OG1 3.49Å; K373-T394 PolarHBondContact NZ-OG1 3.24Å; D389-T394 VanDerWaalsContact CG-OG1 3.31Å; D389-T394 PolarHBondContact OD1-OG1 2.91Å; D389-T394 VanDerWaalsContact OD2-CB 3.23Å; D389-T394 WeakPolarHBondContact OD2-CB 3.43Å; D389-T394 VanDerWaalsContact OD2-CG2 3.32Å; D389-T394 WeakPolarHBondContact OD2-CG2 3.45Å; D389-T394 PolarHBondContact OD2-OG1 3.3Å; T394-V398 HydrophobicContact CG2-CB 3.95Å; T394-V398 HydrophobicContact CG2-CG1 4.06Å; T394-V398 HydrophobicContact CG2-CG2 4.28Å
395	P	94	Very high	89.9	Confident	53 Å²	53	67.4 Å²	67.4	34%	0.344	35%	0.354	S	S	.	.			trans	-60.7	137.6	178.7	-24.3	34.1	0	0	0	113	I370 W393 D397 V398	I370-P395 HydrophobicContact CD1-CG 4.46Å; W393-P395 WeakPolarHBondContact O-CD 3.37Å; P395-D397 WeakPolarHBondContact CB-OD1 3.5Å; P395-D397 PolarHBondContact O-N 3.47Å; P395-V398 HydrophobicContact CB-CG2 4.18Å; P395-V398 HydrophobicContact CG-CG2 4.38Å; P395-V398 WeakPolarHBondContact O-CB 3.05Å; P395-V398 PolarHBondContact O-N 3.14Å; P395-V398 VanDerWaalsContact O-N 3.08Å
396	E	89.5	Confident	90.1	Very high	136 Å²	136	69.1 Å²	69.1	64%	0.636	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-30.8	-174.5	-79.7	-158.3	179.2	0	0	114.3	M399 R404	E396-M399 PolarHBondContact O-N 2.87Å; E396-R404 WeakPolarHBondContact O-CD 3.4Å; E396-R404 PolarHBondContact O-NH1 2.75Å; E396-R404 IonicContact OE2-CZ 3.63Å; E396-R404 VanDerWaalsContact OE2-CZ 3.24Å; E396-R404 IonicContact OE2-NE 3.64Å; E396-R404 PolarHBondContact OE2-NE 2.75Å; E396-R404 IonicContact OE2-NH2 3.91Å; E396-R404 PolarHBondContact OE2-NH2 3.45Å
397	D	90.4	Very high	90.1	Very high	131 Å²	131	67 Å²	67	70%	0.701	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-14.2	-175.9	62	-41.7	0	0	0	114.5	P395 M399	P395-D397 WeakPolarHBondContact CB-OD1 3.5Å; P395-D397 PolarHBondContact O-N 3.47Å; D397-M399 PolarHBondContact O-N 3.33Å
398	V	93.4	Very high	90	Very high	16 Å²	16	72.9 Å²	72.9	10%	0.097	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-34.1	166.3	177.5	0	0	0	0	110.6	I370 K373 E374 Y377 T394 P395 P400	I370-V398 HydrophobicContact CG2-CG1 4.47Å; I370-V398 HydrophobicContact CG2-CG2 3.86Å; K373-V398 HydrophobicContact CB-CG1 4.07Å; E374-V398 HydrophobicContact CG-CG1 3.93Å; Y377-V398 HydrophobicContact CD2-CG1 4.07Å; Y377-V398 HydrophobicContact CE2-CG1 4.09Å; T394-V398 HydrophobicContact CG2-CB 3.95Å; T394-V398 HydrophobicContact CG2-CG1 4.06Å; T394-V398 HydrophobicContact CG2-CG2 4.28Å; P395-V398 HydrophobicContact CB-CG2 4.18Å; P395-V398 HydrophobicContact CG-CG2 4.38Å; P395-V398 WeakPolarHBondContact O-CB 3.05Å; P395-V398 PolarHBondContact O-N 3.14Å; P395-V398 VanDerWaalsContact O-N 3.08Å; V398-P400 WeakPolarHBondContact O-CD 3.32Å
399	M	90.9	Very high	90	Very high	32 Å²	32	69.5 Å²	69.5	16%	0.158	35%	0.352	C	S	.	.	S	Bend	trans	-81.3	121.8	174.6	-170.6	-172.1	-67.4	0	0	110.8	Y377 E396 D397 K401 L403 R404	Y377-M399 HydrophobicContact CD1-CG 4.06Å; Y377-M399 HydrophobicContact CD2-CB 4.41Å; Y377-M399 HydrophobicContact CE1-CB 4.34Å; Y377-M399 HydrophobicContact CE1-CE 3.68Å; Y377-M399 HydrophobicContact CE1-CG 3.87Å; Y377-M399 HydrophobicContact CE1-SD 4.47Å; Y377-M399 HydrophobicContact CE2-CB 4.13Å; Y377-M399 HydrophobicContact CG-CG 4.47Å; Y377-M399 WeakPolarHBondContact OH-CE 3.37Å; E396-M399 PolarHBondContact O-N 2.87Å; D397-M399 PolarHBondContact O-N 3.33Å; M399-K401 PolarHBondContact O-N 2.04Å; M399-L403 HydrophobicContact CG-CB 4.16Å; M399-L403 HydrophobicContact SD-CB 4.47Å; M399-R404 HydrophobicContact CG-CB 4.19Å; M399-R404 VanDerWaalsContact SD-CA 3.52Å; M399-R404 HydrophobicContact SD-CB 3.76Å; M399-R404 HydrophobicContact SD-CG 3.93Å
400	P	92	Very high	89.6	Confident	33 Å²	33	72.2 Å²	72.2	21%	0.214	36%	0.364	C	S	.	.			trans	-54.5	136.4	177.4	-26.7	34.1	0	0	0	112.9	Y377 E381 V398 K402 L403 R404	Y377-P400 VanDerWaalsContact CB-CD 3.5Å; E381-P400 WeakPolarHBondContact OE2-CB 3.28Å; V398-P400 WeakPolarHBondContact O-CD 3.32Å; P400-K402 PolarHBondContact O-N 3.46Å; P400-L403 HydrophobicContact CG-CD1 4.33Å; P400-L403 PolarHBondContact O-N 3.49Å; P400-R404 PolarHBondContact O-N 3.29Å
401	K	89.9	Confident	89.2	Confident	156 Å²	156	79.7 Å²	79.7	68%	0.678	39%	0.386	S	S	*	.	H	α-helix	trans	-57.3	-25.9	-172.7	-66	178.6	-178.4	175	0	114.1	M399 N405	M399-K401 PolarHBondContact O-N 2.04Å; K401-N405 WeakPolarHBondContact O-CB 3.36Å; K401-N405 PolarHBondContact O-N 2.7Å; K401-N405 VanDerWaalsContact O-N 3.13Å; K401-N405 PolarHBondContact O-ND2 3.18Å
402	K	88.6	Confident	88.9	Confident	150 Å²	150	83.8 Å²	83.8	65%	0.652	41%	0.405	S	S	*	.	H	α-helix	trans	-68.7	-52	173.1	-59.9	-165.9	-154.1	137.3	0	111.2	E381 P400 R404 N405 K406	E381-K402 WeakPolarHBondContact OE1-CD 3.45Å; E381-K402 WeakPolarHBondContact OE1-CE 3.35Å; E381-K402 IonicContact OE1-NZ 3.22Å; E381-K402 PolarHBondContact OE1-NZ 3.17Å; P400-K402 PolarHBondContact O-N 3.46Å; K402-R404 VanDerWaalsContact C-N 3.33Å; K402-R404 PolarHBondContact O-N 2.67Å; K402-N405 PolarHBondContact O-N 2.86Å; K402-K406 WeakPolarHBondContact O-CB 3.41Å; K402-K406 PolarHBondContact O-N 2.9Å
403	L	88.5	Confident	88.7	Confident	11 Å²	11	82 Å²	82	6%	0.058	39%	0.393	C	S	.	.	H	α-helix	trans	-61.3	-41.2	176.6	-66.5	-179.6	0	0	0	111.4	Y377 Y380 E381 M399 P400 N405 K406 H407	Y377-L403 HydrophobicContact CD1-CD1 4.26Å; Y377-L403 WeakPolarHBondContact O-CD1 3.15Å; Y380-L403 HydrophobicContact CD1-CD1 3.79Å; Y380-L403 HydrophobicContact CD1-CD2 4.02Å; Y380-L403 HydrophobicContact CD2-CD2 4.44Å; Y380-L403 HydrophobicContact CE1-CD1 4.48Å; Y380-L403 HydrophobicContact CE1-CD2 4.06Å; Y380-L403 HydrophobicContact CE2-CD2 4.46Å; Y380-L403 HydrophobicContact CG-CD1 4.07Å; Y380-L403 HydrophobicContact CG-CD2 4.18Å; E381-L403 HydrophobicContact CB-CD1 4.06Å; E381-L403 HydrophobicContact CB-CG 4.23Å; M399-L403 HydrophobicContact CG-CB 4.16Å; M399-L403 HydrophobicContact SD-CB 4.47Å; P400-L403 HydrophobicContact CG-CD1 4.33Å; P400-L403 PolarHBondContact O-N 3.49Å; L403-N405 PolarHBondContact O-N 3.21Å; L403-K406 WeakPolarHBondContact O-CB 3.33Å; L403-K406 PolarHBondContact O-N 3.4Å; L403-K406 VanDerWaalsContact O-N 3.14Å; L403-H407 WeakPolarHBondContact O-CB 3.13Å; L403-H407 PolarHBondContact O-N 3.45Å
404	R	87.5	Confident	87.9	Confident	73 Å²	73	83.7 Å²	83.7	28%	0.275	41%	0.411	S	S	.	.	H	α-helix	trans	-62.8	-40.2	177.6	-157.2	164.8	88.3	-153.5	27.1	112.9	E396 M399 P400 K402 K408	E396-R404 WeakPolarHBondContact O-CD 3.4Å; E396-R404 PolarHBondContact O-NH1 2.75Å; E396-R404 IonicContact OE2-CZ 3.63Å; E396-R404 VanDerWaalsContact OE2-CZ 3.24Å; E396-R404 IonicContact OE2-NE 3.64Å; E396-R404 PolarHBondContact OE2-NE 2.75Å; E396-R404 IonicContact OE2-NH2 3.91Å; E396-R404 PolarHBondContact OE2-NH2 3.45Å; M399-R404 HydrophobicContact CG-CB 4.19Å; M399-R404 VanDerWaalsContact SD-CA 3.52Å; M399-R404 HydrophobicContact SD-CB 3.76Å; M399-R404 HydrophobicContact SD-CG 3.93Å; P400-R404 PolarHBondContact O-N 3.29Å; K402-R404 VanDerWaalsContact C-N 3.33Å; K402-R404 PolarHBondContact O-N 2.67Å; R404-K408 WeakPolarHBondContact O-CB 3.02Å; R404-K408 PolarHBondContact O-N 3.39Å
405	N	88.9	Confident	87.3	Confident	109 Å²	109	85.3 Å²	85.3	58%	0.583	43%	0.426	S	S	*	.	H	α-helix	trans	-69.3	-37.4	172.9	-71.6	-10.5	0	0	0	112.3	K401 K402 L403 K408 A409	K401-N405 WeakPolarHBondContact O-CB 3.36Å; K401-N405 PolarHBondContact O-N 2.7Å; K401-N405 VanDerWaalsContact O-N 3.13Å; K401-N405 PolarHBondContact O-ND2 3.18Å; K402-N405 PolarHBondContact O-N 2.86Å; L403-N405 PolarHBondContact O-N 3.21Å; N405-K408 PolarHBondContact O-N 2.91Å; N405-A409 PolarHBondContact O-N 2.85Å
406	K	86.9	Confident	87	Confident	86 Å²	86	88.6 Å²	88.6	37%	0.374	43%	0.432	S	S	.	.	H	α-helix	trans	-61.3	-57.1	175.2	-176.1	-163.7	160.3	-174.4	0	110.6	Y380 K402 L403 K408 A409 E410	Y380-K406 PolarHBondContact OH-NZ 3.32Å; K402-K406 WeakPolarHBondContact O-CB 3.41Å; K402-K406 PolarHBondContact O-N 2.9Å; L403-K406 WeakPolarHBondContact O-CB 3.33Å; L403-K406 PolarHBondContact O-N 3.4Å; L403-K406 VanDerWaalsContact O-N 3.14Å; K406-K408 PolarHBondContact O-N 3.5Å; K406-A409 PolarHBondContact O-N 3Å; K406-E410 VanDerWaalsContact CE-CD 3.43Å; K406-E410 WeakPolarHBondContact CE-OE1 3.07Å; K406-E410 WeakPolarHBondContact CE-OE2 3.35Å; K406-E410 IonicContact NZ-OE1 2.82Å; K406-E410 WeakPolarHBondContact O-CG 3.5Å; K406-E410 PolarHBondContact O-N 2.79Å
407	H	83.2	Confident	86.6	Confident	60 Å²	60	85.8 Å²	85.8	28%	0.278	42%	0.42	S	S	.	.	H	α-helix	trans	-57.2	-36	176.9	-79.2	-162.3	0	0	0	112.4	Y380 L403 E410 R411	Y380-H407 AromaticContact CE1-NE2 3.41Å; Y380-H407 WeakPolarHBondContact CE1-NE2 3.22Å; Y380-H407 AromaticContact CZ-NE2 3.89Å; Y380-H407 PolarHBondContact OH-NE2 3.47Å; L403-H407 WeakPolarHBondContact O-CB 3.13Å; L403-H407 PolarHBondContact O-N 3.45Å; H407-E410 IonicContact CD2-OE2 3.24Å; H407-E410 PolarHBondContact CD2-OE2 2.96Å; H407-R411 WeakPolarHBondContact O-CB 3.29Å; H407-R411 PolarHBondContact O-N 2.86Å
408	K	86.2	Confident	86.1	Confident	125 Å²	125	84.1 Å²	84.1	54%	0.543	42%	0.415	S	S	.	.	H	α-helix	trans	-64.3	-48.4	173.6	179.3	168.3	175.2	170.9	0	112.1	R404 N405 K406 E410 R411 E412	R404-K408 WeakPolarHBondContact O-CB 3.02Å; R404-K408 PolarHBondContact O-N 3.39Å; N405-K408 PolarHBondContact O-N 2.91Å; K406-K408 PolarHBondContact O-N 3.5Å; K408-E410 VanDerWaalsContact C-N 3.33Å; K408-E410 PolarHBondContact O-N 2.85Å; K408-R411 PolarHBondContact O-N 2.88Å; K408-E412 WeakPolarHBondContact CE-OE1 3.29Å; K408-E412 HydrophobicContact CG-CG 4.43Å; K408-E412 IonicContact NZ-OE1 3.44Å; K408-E412 WeakPolarHBondContact O-CB 3.32Å; K408-E412 WeakPolarHBondContact O-CG 3.43Å; K408-E412 PolarHBondContact O-N 3.23Å
409	A	86.9	Confident	85.8	Confident	49 Å²	49	89.4 Å²	89.4	41%	0.405	44%	0.439	S	S	.	.	H	α-helix	trans	-65.4	-35.6	178.3	0	0	0	0	0	112.6	N405 K406 T413	N405-A409 PolarHBondContact O-N 2.85Å; K406-A409 PolarHBondContact O-N 3Å; A409-T413 VanDerWaalsContact O-CB 3.31Å; A409-T413 WeakPolarHBondContact O-CB 3.35Å; A409-T413 PolarHBondContact O-N 2.79Å; A409-T413 PolarHBondContact O-OG1 2.94Å
410	E	83.1	Confident	85.6	Confident	92 Å²	92	92.6 Å²	92.6	43%	0.43	45%	0.453	S	S	.	.	H	α-helix	trans	-66.8	-43.8	173.5	-71.6	169.1	150	0	0	111.2	K406 H407 K408 T413 A414	K406-E410 VanDerWaalsContact CE-CD 3.43Å; K406-E410 WeakPolarHBondContact CE-OE1 3.07Å; K406-E410 WeakPolarHBondContact CE-OE2 3.35Å; K406-E410 IonicContact NZ-OE1 2.82Å; K406-E410 WeakPolarHBondContact O-CG 3.5Å; K406-E410 PolarHBondContact O-N 2.79Å; H407-E410 IonicContact CD2-OE2 3.24Å; H407-E410 PolarHBondContact CD2-OE2 2.96Å; K408-E410 VanDerWaalsContact C-N 3.33Å; K408-E410 PolarHBondContact O-N 2.85Å; E410-T413 PolarHBondContact O-N 3.44Å; E410-A414 WeakPolarHBondContact O-CB 3.46Å; E410-A414 PolarHBondContact O-N 2.95Å
411	R	81.7	Confident	85.1	Confident	203 Å²	203	95.3 Å²	95.3	77%	0.766	47%	0.465	S	S	*	.	H	α-helix	trans	-66.7	-38.6	175.3	-173	175.4	-177.9	170.5	3.3	112.7	H407 K408 T413 A415	H407-R411 WeakPolarHBondContact O-CB 3.29Å; H407-R411 PolarHBondContact O-N 2.86Å; K408-R411 PolarHBondContact O-N 2.88Å; R411-T413 VanDerWaalsContact C-N 3.34Å; R411-A415 VanDerWaalsContact O-CB 3.23Å; R411-A415 WeakPolarHBondContact O-CB 3.48Å; R411-A415 PolarHBondContact O-N 3.32Å
412	E	86.8	Confident	84.5	Confident	112 Å²	112	89.1 Å²	89.1	52%	0.523	45%	0.445	S	S	.	.	H	α-helix	trans	-66.1	-37	173.3	-75	173.6	169.5	0	0	111.3	K408 R416	K408-E412 WeakPolarHBondContact CE-OE1 3.29Å; K408-E412 HydrophobicContact CG-CG 4.43Å; K408-E412 IonicContact NZ-OE1 3.44Å; K408-E412 WeakPolarHBondContact O-CB 3.32Å; K408-E412 WeakPolarHBondContact O-CG 3.43Å; K408-E412 PolarHBondContact O-N 3.23Å; E412-R416 WeakPolarHBondContact O-CB 3.3Å; E412-R416 PolarHBondContact O-N 2.84Å
413	T	84.8	Confident	84.2	Confident	58 Å²	58	85.8 Å²	85.8	36%	0.356	44%	0.435	S	S	.	.	H	α-helix	trans	-70.3	-44.5	175.1	-59.8	0	0	0	0	111.8	A409 E410 R411 R416 I417	A409-T413 VanDerWaalsContact O-CB 3.31Å; A409-T413 WeakPolarHBondContact O-CB 3.35Å; A409-T413 PolarHBondContact O-N 2.79Å; A409-T413 PolarHBondContact O-OG1 2.94Å; E410-T413 PolarHBondContact O-N 3.44Å; R411-T413 VanDerWaalsContact C-N 3.34Å; T413-R416 PolarHBondContact O-N 2.87Å; T413-I417 HydrophobicContact CG2-CD1 3.9Å; T413-I417 VanDerWaalsContact O-CG1 3.31Å; T413-I417 WeakPolarHBondContact O-CG1 3.35Å; T413-I417 PolarHBondContact O-N 2.96Å
414	A	78.6	Confident	83.9	Confident	50 Å²	50	89.8 Å²	89.8	41%	0.413	46%	0.456	S	S	.	.	H	α-helix	trans	-62.4	-43	175	0	0	0	0	0	111.7	E410 R416 I417 T418	E410-A414 WeakPolarHBondContact O-CB 3.46Å; E410-A414 PolarHBondContact O-N 2.95Å; A414-R416 VanDerWaalsContact C-N 3.34Å; A414-R416 PolarHBondContact O-N 3.19Å; A414-I417 PolarHBondContact O-N 2.58Å; A414-T418 PolarHBondContact O-N 3.18Å; A414-T418 PolarHBondContact O-OG1 2.82Å; A414-T418 VanDerWaalsContact O-OG1 3.04Å
415	A	82.3	Confident	83.1	Confident	56 Å²	56	92.3 Å²	92.3	46%	0.463	47%	0.472	S	S	.	.	H	α-helix	trans	-60.6	-42.6	174.7	0	0	0	0	0	111.9	R411 T418 E419	R411-A415 VanDerWaalsContact O-CB 3.23Å; R411-A415 WeakPolarHBondContact O-CB 3.48Å; R411-A415 PolarHBondContact O-N 3.32Å; A415-T418 PolarHBondContact O-N 2.92Å; A415-E419 WeakPolarHBondContact O-CB 3.46Å; A415-E419 PolarHBondContact O-N 3.49Å
416	R	86.1	Confident	82.8	Confident	123 Å²	123	93 Å²	93	46%	0.464	47%	0.47	S	S	.	.	H	α-helix	trans	-64.6	-41.5	175.4	-160.5	-169.8	70.9	-112.5	-5.5	112	E412 T413 A414 E419 E420	E412-R416 WeakPolarHBondContact O-CB 3.3Å; E412-R416 PolarHBondContact O-N 2.84Å; T413-R416 PolarHBondContact O-N 2.87Å; A414-R416 VanDerWaalsContact C-N 3.34Å; A414-R416 PolarHBondContact O-N 3.19Å; R416-E419 PolarHBondContact O-N 3.09Å; R416-E420 WeakPolarHBondContact CD-OE1 3.46Å; R416-E420 WeakPolarHBondContact CG-OE1 3.45Å; R416-E420 IonicContact CZ-OE1 3.85Å; R416-E420 IonicContact NE-OE1 3.33Å; R416-E420 PolarHBondContact NE-OE1 3.1Å; R416-E420 IonicContact NH2-OE1 3.43Å; R416-E420 WeakPolarHBondContact O-CB 3.32Å; R416-E420 VanDerWaalsContact O-CG 3.25Å; R416-E420 WeakPolarHBondContact O-CG 3.21Å; R416-E420 PolarHBondContact O-N 3.28Å
417	I	81	Confident	82.6	Confident	76 Å²	76	94.6 Å²	94.6	39%	0.39	48%	0.479	S	S	.	.	H	α-helix	trans	-62.4	-42.4	174.4	-69.6	163.5	0	0	0	110.8	T413 A414 E419 E420 I421	T413-I417 HydrophobicContact CG2-CD1 3.9Å; T413-I417 VanDerWaalsContact O-CG1 3.31Å; T413-I417 WeakPolarHBondContact O-CG1 3.35Å; T413-I417 PolarHBondContact O-N 2.96Å; A414-I417 PolarHBondContact O-N 2.58Å; I417-E419 VanDerWaalsContact C-N 3.33Å; I417-E419 PolarHBondContact O-N 3.27Å; I417-E420 PolarHBondContact O-N 3.4Å; I417-I421 HydrophobicContact CG2-CD1 3.76Å; I417-I421 HydrophobicContact CG2-CG1 4.45Å; I417-I421 WeakPolarHBondContact O-CB 3.41Å; I417-I421 VanDerWaalsContact O-CG1 3.23Å; I417-I421 WeakPolarHBondContact O-CG1 3.47Å; I417-I421 PolarHBondContact O-N 3.4Å
418	T	81.3	Confident	82.3	Confident	97 Å²	97	96 Å²	96	60%	0.595	49%	0.488	S	S	*	.	H	α-helix	trans	-65.4	-34.7	175	-57.1	0	0	0	0	112.4	A414 A415 G422	A414-T418 PolarHBondContact O-N 3.18Å; A414-T418 PolarHBondContact O-OG1 2.82Å; A414-T418 VanDerWaalsContact O-OG1 3.04Å; A415-T418 PolarHBondContact O-N 2.92Å; T418-G422 PolarHBondContact O-N 3.44Å
419	E	86.4	Confident	81.7	Confident	127 Å²	127	96.2 Å²	96.2	59%	0.593	49%	0.49	S	S	*	.	H	α-helix	trans	-70.6	-43.1	173.2	-175.9	174.8	-175.2	0	0	112	A415 R416 I417 G422 N423	A415-E419 WeakPolarHBondContact O-CB 3.46Å; A415-E419 PolarHBondContact O-N 3.49Å; R416-E419 PolarHBondContact O-N 3.09Å; I417-E419 VanDerWaalsContact C-N 3.33Å; I417-E419 PolarHBondContact O-N 3.27Å; E419-G422 PolarHBondContact O-N 3.08Å; E419-N423 WeakPolarHBondContact O-CB 3.49Å; E419-N423 VanDerWaalsContact O-CG 3.23Å; E419-N423 PolarHBondContact O-N 3.25Å; E419-N423 PolarHBondContact O-ND2 3.02Å; E419-N423 VanDerWaalsContact O-ND2 3.15Å
420	E	87.8	Confident	81.1	Confident	98 Å²	98	97.4 Å²	97.4	46%	0.458	49%	0.493	S	S	.	.	H	α-helix	trans	-58.1	-47.7	173.1	-73.5	165	-160.9	0	0	110.6	R416 I417 N423 L424	R416-E420 WeakPolarHBondContact CD-OE1 3.46Å; R416-E420 WeakPolarHBondContact CG-OE1 3.45Å; R416-E420 IonicContact CZ-OE1 3.85Å; R416-E420 IonicContact NE-OE1 3.33Å; R416-E420 PolarHBondContact NE-OE1 3.1Å; R416-E420 IonicContact NH2-OE1 3.43Å; R416-E420 WeakPolarHBondContact O-CB 3.32Å; R416-E420 VanDerWaalsContact O-CG 3.25Å; R416-E420 WeakPolarHBondContact O-CG 3.21Å; R416-E420 PolarHBondContact O-N 3.28Å; I417-E420 PolarHBondContact O-N 3.4Å; E420-N423 PolarHBondContact O-N 3.22Å; E420-L424 WeakPolarHBondContact O-CB 3.28Å; E420-L424 PolarHBondContact O-N 3.33Å
421	I	80.3	Confident	80.6	Confident	90 Å²	90	97.4 Å²	97.4	46%	0.462	50%	0.495	S	S	.	.	H	α-helix	trans	-63.2	-44.8	174.1	-68.7	166.3	0	0	0	111.4	I417 N423 L424 M425	I417-I421 HydrophobicContact CG2-CD1 3.76Å; I417-I421 HydrophobicContact CG2-CG1 4.45Å; I417-I421 WeakPolarHBondContact O-CB 3.41Å; I417-I421 VanDerWaalsContact O-CG1 3.23Å; I417-I421 WeakPolarHBondContact O-CG1 3.47Å; I417-I421 PolarHBondContact O-N 3.4Å; I421-N423 VanDerWaalsContact C-N 3.29Å; I421-N423 PolarHBondContact O-N 3.48Å; I421-L424 PolarHBondContact O-N 2.99Å; I421-M425 HydrophobicContact CG2-CG 4.44Å; I421-M425 WeakPolarHBondContact O-CB 3.24Å; I421-M425 WeakPolarHBondContact O-CG 3.34Å; I421-M425 PolarHBondContact O-N 3.34Å
422	G	77.7	Confident	80.1	Confident	26 Å²	26	90.7 Å²	90.7	27%	0.268	48%	0.477	S	S	.	.	H	α-helix	trans	-67.9	-27	-179.3	0	0	0	0	0	113.8	T418 E419 K426	T418-G422 PolarHBondContact O-N 3.44Å; E419-G422 PolarHBondContact O-N 3.08Å; G422-K426 WeakPolarHBondContact O-CG 3.49Å; G422-K426 PolarHBondContact O-N 3.38Å
423	N	82.4	Confident	79	Confident	81 Å²	81	91.9 Å²	91.9	43%	0.433	48%	0.482	S	S	.	.	H	α-helix	trans	-79.2	-42.1	171.6	-70.5	-30.4	0	0	0	111.1	E419 E420 I421 M425 K426 E427	E419-N423 WeakPolarHBondContact O-CB 3.49Å; E419-N423 VanDerWaalsContact O-CG 3.23Å; E419-N423 PolarHBondContact O-N 3.25Å; E419-N423 PolarHBondContact O-ND2 3.02Å; E419-N423 VanDerWaalsContact O-ND2 3.15Å; E420-N423 PolarHBondContact O-N 3.22Å; I421-N423 VanDerWaalsContact C-N 3.29Å; I421-N423 PolarHBondContact O-N 3.48Å; N423-M425 VanDerWaalsContact C-N 3.33Å; N423-M425 PolarHBondContact O-N 2.9Å; N423-K426 PolarHBondContact O-N 2.88Å; N423-K426 VanDerWaalsContact O-N 3.15Å; N423-E427 PolarHBondContact O-N 3.07Å
424	L	82.3	Confident	78	Confident	95 Å²	95	94.8 Å²	94.8	50%	0.497	49%	0.492	S	S	.	.	H	α-helix	trans	-60.4	-40.1	173.2	-176.9	66.6	0	0	0	112	E420 I421 K426 E427 I428	E420-L424 WeakPolarHBondContact O-CB 3.28Å; E420-L424 PolarHBondContact O-N 3.33Å; I421-L424 PolarHBondContact O-N 2.99Å; L424-K426 VanDerWaalsContact C-N 3.33Å; L424-K426 PolarHBondContact O-N 3.05Å; L424-E427 PolarHBondContact O-N 3.5Å; L424-I428 HydrophobicContact CG-CD1 4.04Å; L424-I428 WeakPolarHBondContact O-CB 3.41Å; L424-I428 VanDerWaalsContact O-CG1 3.27Å; L424-I428 WeakPolarHBondContact O-CG1 3.39Å; L424-I428 PolarHBondContact O-N 2.87Å
425	M	71.6	Confident	77	Confident	126 Å²	126	100.1 Å²	100.1	62%	0.621	51%	0.506	S	S	*	.	H	α-helix	trans	-61.5	-39.5	174.2	-79.8	-168.3	70.8	0	0	112.3	I421 N423 E429	I421-M425 HydrophobicContact CG2-CG 4.44Å; I421-M425 WeakPolarHBondContact O-CB 3.24Å; I421-M425 WeakPolarHBondContact O-CG 3.34Å; I421-M425 PolarHBondContact O-N 3.34Å; N423-M425 VanDerWaalsContact C-N 3.33Å; N423-M425 PolarHBondContact O-N 2.9Å; M425-E429 VanDerWaalsContact O-CB 3.32Å; M425-E429 WeakPolarHBondContact O-CB 3.48Å; M425-E429 PolarHBondContact O-N 3.36Å
426	K	81.5	Confident	75.7	Confident	124 Å²	124	104 Å²	104	54%	0.539	51%	0.512	S	S	.	.	H	α-helix	trans	-69.7	-37.4	174.8	-71.7	167	-171.9	161.2	0	112.2	G422 N423 L424 E429 T430	G422-K426 WeakPolarHBondContact O-CG 3.49Å; G422-K426 PolarHBondContact O-N 3.38Å; N423-K426 PolarHBondContact O-N 2.88Å; N423-K426 VanDerWaalsContact O-N 3.15Å; L424-K426 VanDerWaalsContact C-N 3.33Å; L424-K426 PolarHBondContact O-N 3.05Å; K426-E429 PolarHBondContact O-N 3.29Å; K426-T430 WeakPolarHBondContact O-CG2 3.46Å; K426-T430 PolarHBondContact O-N 2.94Å; K426-T430 PolarHBondContact O-OG1 3.37Å; K426-T430 VanDerWaalsContact O-OG1 3.13Å
427	E	83.8	Confident	74.1	Confident	118 Å²	118	105.6 Å²	105.6	55%	0.551	52%	0.522	S	S	*	.	H	α-helix	trans	-61.9	-47.4	174.2	-172.2	170.9	-167.9	0	0	110.3	N423 L424 E429 T430 L431	N423-E427 PolarHBondContact O-N 3.07Å; L424-E427 PolarHBondContact O-N 3.5Å; E427-E429 PolarHBondContact O-N 3.24Å; E427-T430 WeakPolarHBondContact CA-OG1 3.39Å; E427-T430 PolarHBondContact O-N 2.98Å; E427-T430 PolarHBondContact O-OG1 3.5Å; E427-L431 HydrophobicContact CG-CD1 4.24Å; E427-L431 WeakPolarHBondContact O-CB 3.36Å; E427-L431 VanDerWaalsContact O-CG 3.3Å; E427-L431 WeakPolarHBondContact O-CG 3.24Å; E427-L431 PolarHBondContact O-N 2.95Å
428	I	75.9	Confident	72.6	Confident	91 Å²	91	107.8 Å²	107.8	47%	0.467	54%	0.535	S	S	.	.	H	α-helix	trans	-58.1	-45.2	171.8	-67.9	164.6	0	0	0	111.3	L424 T430 L431 V432	L424-I428 HydrophobicContact CG-CD1 4.04Å; L424-I428 WeakPolarHBondContact O-CB 3.41Å; L424-I428 VanDerWaalsContact O-CG1 3.27Å; L424-I428 WeakPolarHBondContact O-CG1 3.39Å; L424-I428 PolarHBondContact O-N 2.87Å; I428-T430 PolarHBondContact O-N 2.97Å; I428-L431 PolarHBondContact O-N 3.4Å; I428-V432 HydrophobicContact CG2-CG2 4.38Å; I428-V432 WeakPolarHBondContact O-CB 3.49Å; I428-V432 VanDerWaalsContact O-CG2 3.28Å; I428-V432 WeakPolarHBondContact O-CG2 3.45Å; I428-V432 PolarHBondContact O-N 3.21Å
429	E	73.9	Confident	70.9	Confident	129 Å²	129	106.3 Å²	106.3	60%	0.603	53%	0.528	S	S	*	.	H	α-helix	trans	-61.1	-43.9	177.8	-171.4	169.6	-140	0	0	111.4	M425 K426 E427 V432 E433	M425-E429 VanDerWaalsContact O-CB 3.32Å; M425-E429 WeakPolarHBondContact O-CB 3.48Å; M425-E429 PolarHBondContact O-N 3.36Å; K426-E429 PolarHBondContact O-N 3.29Å; E427-E429 PolarHBondContact O-N 3.24Å; E429-V432 CarbonylContact O-C 3.57Å; E429-V432 PolarHBondContact O-N 3.37Å; E429-E433 PolarHBondContact O-N 3.24Å
430	T	74.6	Confident	68.9	Low	74 Å²	74	104.4 Å²	104.4	45%	0.454	53%	0.526	S	S	.	.	H	α-helix	trans	-65.1	-40.5	174.2	51.9	0	0	0	0	113	K426 E427 I428 V432 E433 E434	K426-T430 WeakPolarHBondContact O-CG2 3.46Å; K426-T430 PolarHBondContact O-N 2.94Å; K426-T430 PolarHBondContact O-OG1 3.37Å; K426-T430 VanDerWaalsContact O-OG1 3.13Å; E427-T430 WeakPolarHBondContact CA-OG1 3.39Å; E427-T430 PolarHBondContact O-N 2.98Å; E427-T430 PolarHBondContact O-OG1 3.5Å; I428-T430 PolarHBondContact O-N 2.97Å; T430-V432 VanDerWaalsContact C-N 3.28Å; T430-V432 PolarHBondContact O-N 2.91Å; T430-E433 PolarHBondContact O-N 3.12Å; T430-E434 WeakPolarHBondContact O-CG 3.31Å; T430-E434 PolarHBondContact O-N 2.93Å
431	L	71.7	Confident	66.8	Low	91 Å²	91	107.1 Å²	107.1	48%	0.476	54%	0.543	S	S	.	.	H	α-helix	trans	-66.4	-30.6	175.2	-70.4	168	0	0	0	112.1	E427 I428 K435	E427-L431 HydrophobicContact CG-CD1 4.24Å; E427-L431 WeakPolarHBondContact O-CB 3.36Å; E427-L431 VanDerWaalsContact O-CG 3.3Å; E427-L431 WeakPolarHBondContact O-CG 3.24Å; E427-L431 PolarHBondContact O-N 2.95Å; I428-L431 PolarHBondContact O-N 3.4Å; L431-K435 WeakPolarHBondContact O-CB 3.42Å; L431-K435 WeakPolarHBondContact O-CG 3.44Å; L431-K435 PolarHBondContact O-N 3.4Å
432	V	71.6	Confident	64.9	Low	63 Å²	63	110.3 Å²	110.3	38%	0.382	56%	0.558	S	S	.	*	H	α-helix	trans	-75.2	-36.3	172.6	168.2	0	0	0	0	111.5	I428 E429 T430 K436	I428-V432 HydrophobicContact CG2-CG2 4.38Å; I428-V432 WeakPolarHBondContact O-CB 3.49Å; I428-V432 VanDerWaalsContact O-CG2 3.28Å; I428-V432 WeakPolarHBondContact O-CG2 3.45Å; I428-V432 PolarHBondContact O-N 3.21Å; E429-V432 CarbonylContact O-C 3.57Å; E429-V432 PolarHBondContact O-N 3.37Å; T430-V432 VanDerWaalsContact C-N 3.28Å; T430-V432 PolarHBondContact O-N 2.91Å; V432-K436 HydrophobicContact CG1-CD 4.21Å; V432-K436 VanDerWaalsContact O-CB 3.28Å; V432-K436 WeakPolarHBondContact O-CB 3.24Å; V432-K436 VanDerWaalsContact O-CG 3.26Å; V432-K436 WeakPolarHBondContact O-CG 3.46Å; V432-K436 PolarHBondContact O-N 2.96Å
433	E	64	Low	63	Low	136 Å²	136	112.8 Å²	112.8	64%	0.636	58%	0.576	S	S	*	*	H	α-helix	trans	-66.6	-42.8	171.2	-74.7	-149	133.6	0	0	112.2	E429 T430 K436 K437	E429-E433 PolarHBondContact O-N 3.24Å; T430-E433 PolarHBondContact O-N 3.12Å; E433-K436 PolarHBondContact O-N 2.72Å; E433-K437 PolarHBondContact O-N 3.13Å
434	E	63.1	Low	60.8	Low	120 Å²	120	117.9 Å²	117.9	56%	0.561	59%	0.594	S	S	*	*	H	α-helix	trans	-62.9	-48.5	175.2	-73	-173	155.3	0	0	111	T430 K436 K437 D438	T430-E434 WeakPolarHBondContact O-CG 3.31Å; T430-E434 PolarHBondContact O-N 2.93Å; E434-K436 VanDerWaalsContact C-N 3.32Å; E434-K436 PolarHBondContact O-N 3.17Å; E434-K437 WeakPolarHBondContact O-CA 3.48Å; E434-K437 WeakPolarHBondContact O-CB 3.45Å; E434-K437 PolarHBondContact O-N 3.45Å; E434-D438 PolarHBondContact O-N 3Å
435	K	57.9	Low	58.8	Low	162 Å²	162	120.2 Å²	120.2	70%	0.704	61%	0.606	S	S	*	*	H	α-helix	trans	-60.1	-36.9	172.2	-84.5	-168.2	170.9	-170.5	0	113.5	L431 K437 S439	L431-K435 WeakPolarHBondContact O-CB 3.42Å; L431-K435 WeakPolarHBondContact O-CG 3.44Å; L431-K435 PolarHBondContact O-N 3.4Å; K435-K437 VanDerWaalsContact C-N 3.31Å; K435-S439 WeakPolarHBondContact O-CB 3.43Å; K435-S439 PolarHBondContact O-N 2.86Å
436	K	55.2	Low	57	Low	138 Å²	138	121.5 Å²	121.5	60%	0.6	61%	0.614	S	S	*	*	H	α-helix	trans	-65	-36.7	174	-83.6	173.9	179.6	172.1	0	111.3	V432 E433 E434 S439 T440	V432-K436 HydrophobicContact CG1-CD 4.21Å; V432-K436 VanDerWaalsContact O-CB 3.28Å; V432-K436 WeakPolarHBondContact O-CB 3.24Å; V432-K436 VanDerWaalsContact O-CG 3.26Å; V432-K436 WeakPolarHBondContact O-CG 3.46Å; V432-K436 PolarHBondContact O-N 2.96Å; E433-K436 PolarHBondContact O-N 2.72Å; E434-K436 VanDerWaalsContact C-N 3.32Å; E434-K436 PolarHBondContact O-N 3.17Å; K436-S439 PolarHBondContact O-N 3.1Å; K436-T440 WeakPolarHBondContact O-CG2 3.31Å; K436-T440 PolarHBondContact O-N 3.39Å; K436-T440 PolarHBondContact O-OG1 3.03Å; K436-T440 VanDerWaalsContact O-OG1 3.1Å
437	K	52.5	Low	54.8	Low	155 Å²	155	119.4 Å²	119.4	67%	0.674	62%	0.619	S	S	*	*	H	α-helix	trans	-60.7	-54	174.6	-127.8	169.9	-173.7	166.1	0	111.3	E433 E434 K435 S439 T440	E433-K437 PolarHBondContact O-N 3.13Å; E434-K437 WeakPolarHBondContact O-CA 3.48Å; E434-K437 WeakPolarHBondContact O-CB 3.45Å; E434-K437 PolarHBondContact O-N 3.45Å; K435-K437 VanDerWaalsContact C-N 3.31Å; K437-S439 VanDerWaalsContact C-N 3.28Å; K437-S439 PolarHBondContact O-N 3.44Å; K437-T440 PolarHBondContact O-N 3.17Å; K437-T440 VanDerWaalsContact O-N 3.15Å; K437-T440 PolarHBondContact O-OG1 3.36Å
438	D	50.3	Low	52.8	Low	123 Å²	123	119.5 Å²	119.5	66%	0.658	63%	0.63	S	S	*	*	H	α-helix	trans	-62	-37.4	177.9	-69.3	-11.4	0	0	0	111.7	E434	E434-D438 PolarHBondContact O-N 3Å
439	S	45.1	Very low	51.7	Low	65 Å²	65	121.8 Å²	121.8	46%	0.455	64%	0.639	S	S	.	*	H	α-helix	trans	-65	-41.3	174.1	-179.4	0	0	0	0	112.5	K435 K436 K437 D441 M442 A443	K435-S439 WeakPolarHBondContact O-CB 3.43Å; K435-S439 PolarHBondContact O-N 2.86Å; K436-S439 PolarHBondContact O-N 3.1Å; K437-S439 VanDerWaalsContact C-N 3.28Å; K437-S439 PolarHBondContact O-N 3.44Å; S439-D441 VanDerWaalsContact C-N 3.27Å; S439-D441 PolarHBondContact O-N 3.35Å; S439-M442 PolarHBondContact O-N 3.26Å; S439-A443 VanDerWaalsContact O-CB 3.3Å; S439-A443 WeakPolarHBondContact O-CB 3.25Å; S439-A443 PolarHBondContact O-N 3.17Å
440	T	44	Very low	50.9	Low	88 Å²	88	119.1 Å²	119.1	54%	0.54	63%	0.626	S	S	.	*	H	α-helix	trans	-65.6	-23.1	-176.2	45.1	0	0	0	0	115	K436 K437	K436-T440 WeakPolarHBondContact O-CG2 3.31Å; K436-T440 PolarHBondContact O-N 3.39Å; K436-T440 PolarHBondContact O-OG1 3.03Å; K436-T440 VanDerWaalsContact O-OG1 3.1Å; K437-T440 PolarHBondContact O-N 3.17Å; K437-T440 VanDerWaalsContact O-N 3.15Å; K437-T440 PolarHBondContact O-OG1 3.36Å
441	D	42.9	Very low	50.2	Low	154 Å²	154	117 Å²	117	82%	0.824	62%	0.62	S	S	*	*	H	α-helix	trans	-84	-19.4	172.8	-86.4	-19.6	0	0	0	113.2	S439	S439-D441 VanDerWaalsContact C-N 3.27Å; S439-D441 PolarHBondContact O-N 3.35Å
442	M	41.9	Very low	49.8	Very low	158 Å²	158	113.3 Å²	113.3	78%	0.778	60%	0.603	S	S	*	*	H	α-helix	trans	-91.2	-29.5	170.8	-67.9	-143.5	-67.1	0	0	113.8	S439 K444	S439-M442 PolarHBondContact O-N 3.26Å; M442-K444 PolarHBondContact O-N 3.37Å
443	A	37.3	Very low	49.3	Very low	78 Å²	78	114.4 Å²	114.4	65%	0.645	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	27.6	-171.9	0	0	0	0	0	116.1	S439	S439-A443 VanDerWaalsContact O-CB 3.3Å; S439-A443 WeakPolarHBondContact O-CB 3.25Å; S439-A443 PolarHBondContact O-N 3.17Å
444	K	36.7	Very low	49.4	Very low	187 Å²	187	109.2 Å²	109.2	81%	0.813	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.5	-8.4	-175.9	-108.8	172.9	-174.7	162.1	0	116.1	M442	M442-K444 PolarHBondContact O-N 3.37Å
445	I	39.1	Very low	49.5	Very low	145 Å²	145	109 Å²	109	74%	0.744	60%	0.598	S	S	*	*	S	Bend	trans	-143.1	142.1	177.7	-41	-179.9	0	0	0	109
446	I	34.1	Very low	50.2	Low	153 Å²	153	104.4 Å²	104.4	79%	0.785	58%	0.578	S	S	*	*			trans	80.8	123.7	-178.9	-53.7	162.3	0	0	0	113.5
447	A	34.7	Very low	50.6	Low	79 Å²	79	106.4 Å²	106.4	65%	0.653	60%	0.596	S	S	*	*			trans	-84.4	149.2	165.7	0	0	0	0	0	109.8	Q449	A447-Q449 PolarHBondContact O-N 2.8Å
448	P	43.5	Very low	51.8	Low	120 Å²	120	103.3 Å²	103.3	78%	0.779	59%	0.587	S	S	*	*			trans	-54.8	128.2	-175	-26.8	35.1	0	0	0	112.9
449	Q	50.9	Low	53.7	Low	140 Å²	140	98.2 Å²	98.2	65%	0.654	56%	0.559	S	S	*	*			trans	-90	110.6	169.7	-74.6	-167.9	-19.9	0	0	109.6	A447 R556	A447-Q449 PolarHBondContact O-N 2.8Å; Q449-R556 WeakPolarHBondContact O-CD 3.36Å; Q449-R556 VanDerWaalsContact O-CZ 3.26Å; Q449-R556 PolarHBondContact O-NE 3.34Å; Q449-R556 PolarHBondContact O-NH1 3.11Å
450	E	57.9	Low	55.8	Low	72 Å²	72	99.8 Å²	99.8	34%	0.336	56%	0.555	S	S	.	*			trans	-57.5	155.3	171.6	-57.5	-177.9	170.1	0	0	112	S465 H472	E450-S465 WeakPolarHBondContact OE2-CB 3.44Å; E450-S465 PolarHBondContact OE2-OG 3.43Å; E450-H472 WeakPolarHBondContact OE1-CA 3.45Å; E450-H472 IonicContact OE1-CD2 2.68Å; E450-H472 PolarHBondContact OE1-CD2 3.46Å; E450-H472 VanDerWaalsContact OE1-CD2 3.23Å; E450-H472 IonicContact OE1-CG 2.68Å; E450-H472 PolarHBondContact OE1-N 3.5Å
451	G	60.7	Low	58.1	Low	31 Å²	31	98.1 Å²	98.1	32%	0.32	55%	0.545	S	S	.	.			trans	88.9	58.2	177.1	0	0	0	0	0	113	Y554 R556	G451-Y554 PolarHBondContact N-O 2.89Å; G451-R556 PolarHBondContact O-NH2 2.9Å
452	G	61.7	Low	60.4	Low	12 Å²	12	92.9 Å²	92.9	12%	0.124	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-65.7	160	160.1	0	0	0	0	0	112.1	S553 Y554 R556	G452-S553 WeakPolarHBondContact CA-O 3.44Å; G452-Y554 PolarHBondContact N-O 2.87Å; G452-R556 VanDerWaalsContact CA-NE 3.29Å
453	A	62.9	Low	62.8	Low	86 Å²	86	87.7 Å²	87.7	71%	0.711	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-64.4	148.7	166.8	0	0	0	0	0	109.6	S553	A453-S553 PolarHBondContact O-OG 3.45Å
454	V	65.4	Low	65.4	Low	27 Å²	27	86.1 Å²	86.1	16%	0.164	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-87.3	136.3	174.5	-177.8	0	0	0	0	108.9	F456 I459 V461 L476 V550	V454-F456 PolarHBondContact O-N 3.22Å; V454-I459 HydrophobicContact CG1-CB 3.9Å; V454-I459 HydrophobicContact CG1-CD1 4.14Å; V454-I459 HydrophobicContact CG1-CG2 4.01Å; V454-V461 HydrophobicContact CG2-CG2 3.75Å; V454-L476 HydrophobicContact CG2-CD2 4.32Å; V454-V550 HydrophobicContact CG1-CG1 3.92Å; V454-V550 HydrophobicContact CG1-CG2 4.16Å
455	L	65.1	Low	67.9	Low	116 Å²	116	77.2 Å²	77.2	61%	0.607	44%	0.437	S	S	*	.	S	Bend	trans	-64	-2.2	-176.2	-71.1	170.9	0	0	0	115.8	K549 S553	L455-K549 HydrophobicContact CD1-CB 4.48Å; L455-S553 WeakPolarHBondContact CG-OG 3.36Å
456	F	71.6	Confident	70.2	Confident	65 Å²	65	78.3 Å²	78.3	29%	0.285	44%	0.441	S	S	.	.	S	Bend	trans	-134.2	117.6	-172.1	-57.3	-89.8	0	0	0	109.5	V454 N458 I459 K546 V550	V454-F456 PolarHBondContact O-N 3.22Å; F456-N458 PolarHBondContact O-N 2.84Å; F456-I459 HydrophobicContact CB-CD1 3.81Å; F456-I459 HydrophobicContact CB-CG1 3.97Å; F456-I459 HydrophobicContact CD2-CD1 3.95Å; F456-I459 HydrophobicContact CG-CD1 4.13Å; F456-I459 PolarHBondContact O-N 3.07Å; F456-I459 VanDerWaalsContact O-N 3.16Å; F456-K546 HydrophobicContact CE2-CG 4.3Å; F456-K546 HydrophobicContact CZ-CG 4.16Å; F456-V550 HydrophobicContact CD2-CG2 3.63Å; F456-V550 HydrophobicContact CE2-CG2 3.71Å
457	D	64	Low	72.9	Confident	180 Å²	180	76 Å²	76	96%	0.963	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-18.4	-174.7	-58.6	-49.2	0	0	0	114.3
458	N	79.1	Confident	75.6	Confident	90 Å²	90	72.2 Å²	72.2	48%	0.481	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	4.7	-175.6	82.5	-72.9	0	0	0	114.4	F456 E478	F456-N458 PolarHBondContact O-N 2.84Å; N458-E478 PolarHBondContact ND2-O 2.94Å; N458-E478 WeakPolarHBondContact O-CB 3.32Å
459	I	89.2	Confident	77.8	Confident	16 Å²	16	71.2 Å²	71.2	8%	0.082	38%	0.383	C	S	.	.			trans	-105.7	124.4	-178.6	-60.2	-176.9	0	0	0	110.4	V454 F456 L476 V479 V550	V454-I459 HydrophobicContact CG1-CB 3.9Å; V454-I459 HydrophobicContact CG1-CD1 4.14Å; V454-I459 HydrophobicContact CG1-CG2 4.01Å; F456-I459 HydrophobicContact CB-CD1 3.81Å; F456-I459 HydrophobicContact CB-CG1 3.97Å; F456-I459 HydrophobicContact CD2-CD1 3.95Å; F456-I459 HydrophobicContact CG-CD1 4.13Å; F456-I459 PolarHBondContact O-N 3.07Å; F456-I459 VanDerWaalsContact O-N 3.16Å; I459-L476 HydrophobicContact CG2-CB 4.3Å; I459-L476 HydrophobicContact CG2-CD2 4.19Å; I459-V479 HydrophobicContact CD1-CB 4.48Å; I459-V479 HydrophobicContact CD1-CG1 4.22Å; I459-V479 HydrophobicContact CD1-CG2 4.4Å; I459-V479 HydrophobicContact CG2-CG2 3.87Å; I459-V550 HydrophobicContact CD1-CG1 4.49Å; I459-V550 HydrophobicContact CD1-CG2 3.5Å; I459-V550 VanDerWaalsContact CD1-CG2 3.5Å
460	R	89.4	Confident	79.6	Confident	98 Å²	98	66.2 Å²	66.2	37%	0.37	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	115	-179.5	-175.2	179.7	58.4	-104.7	-11.1	112	T462 L476 D477 E478	R460-T462 PolarHBondContact NE-OG1 2.92Å; R460-T462 VanDerWaalsContact NE-OG1 3.11Å; R460-T462 PolarHBondContact O-N 3.14Å; R460-T462 VanDerWaalsContact O-N 3.13Å; R460-T462 PolarHBondContact O-OG1 3.47Å; R460-L476 WeakPolarHBondContact O-CA 3.48Å; R460-D477 PolarHBondContact N-O 3.46Å; R460-D477 VanDerWaalsContact NH2-CB 3.32Å; R460-D477 IonicContact NH2-OD2 2.89Å; R460-D477 PolarHBondContact O-N 3.28Å; R460-E478 IonicContact CZ-OE1 2.92Å; R460-E478 IonicContact CZ-OE2 3.33Å; R460-E478 IonicContact NH1-OE1 3.44Å; R460-E478 PolarHBondContact NH1-OE1 2.9Å; R460-E478 IonicContact NH1-OE2 3.01Å; R460-E478 PolarHBondContact NH1-OE2 3.47Å; R460-E478 IonicContact NH2-OE1 2.78Å; R460-E478 PolarHBondContact NH2-OE1 3.46Å; R460-E478 IonicContact NH2-OE2 3.8Å
461	V	91.6	Very high	81.1	Confident	54 Å²	54	65.1 Å²	65.1	33%	0.327	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	111.3	160.1	-174	0	0	0	0	107.9	V454 T464 V474 L476 Y554	V454-V461 HydrophobicContact CG2-CG2 3.75Å; V461-T464 HydrophobicContact CG1-CG2 4.16Å; V461-V474 HydrophobicContact CG1-CG2 4.07Å; V461-L476 HydrophobicContact CB-CD2 4.47Å; V461-L476 HydrophobicContact CG2-CD2 3.87Å; V461-Y554 HydrophobicContact CG1-CE2 4.01Å; V461-Y554 HydrophobicContact CG2-CD2 4.18Å; V461-Y554 HydrophobicContact CG2-CE2 4.23Å
462	T	91.6	Very high	82.5	Confident	43 Å²	43	66.6 Å²	66.6	26%	0.264	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-30.9	-174.4	-62.8	0	0	0	0	111.6	R460 L475 D477	R460-T462 PolarHBondContact NE-OG1 2.92Å; R460-T462 VanDerWaalsContact NE-OG1 3.11Å; R460-T462 PolarHBondContact O-N 3.14Å; R460-T462 VanDerWaalsContact O-N 3.13Å; R460-T462 PolarHBondContact O-OG1 3.47Å; T462-L475 PolarHBondContact N-O 3.5Å; T462-D477 PolarHBondContact OG1-OD2 3.33Å; T462-D477 VanDerWaalsContact OG1-OD2 3.12Å
463	M	92	Very high	84.1	Confident	50 Å²	50	66.4 Å²	66.4	25%	0.246	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	138.2	167.3	-55.6	174.5	68.9	0	0	111.4	Q467 L468 L475	M463-Q467 HydrophobicContact CB-CB 4.02Å; M463-Q467 HydrophobicContact CE-CB 4Å; M463-Q467 WeakPolarHBondContact CE-O 3.37Å; M463-Q467 HydrophobicContact CG-CB 4.46Å; M463-L468 HydrophobicContact CB-CD1 4.18Å; M463-L468 HydrophobicContact CB-CD2 4.17Å; M463-L468 HydrophobicContact CB-CG 3.86Å; M463-L468 HydrophobicContact CE-CD2 3.65Å; M463-L468 HydrophobicContact CE-CG 4.14Å; M463-L468 HydrophobicContact SD-CD2 3.88Å; M463-L475 HydrophobicContact CB-CB 3.77Å; M463-L475 HydrophobicContact CB-CD2 4.41Å; M463-L475 HydrophobicContact CG-CB 4.24Å; M463-L475 HydrophobicContact CG-CD2 3.95Å; M463-L475 PolarHBondContact N-O 3.23Å; M463-L475 PolarHBondContact O-N 3.49Å; M463-L475 HydrophobicContact SD-CD2 3.69Å
464	T	91.9	Very high	85.6	Confident	44 Å²	44	62.3 Å²	62.3	27%	0.27	33%	0.33	S	S	.	.			trans	-95.9	170.8	173	58	0	0	0	0	111.4	V461 M466 Q467 L468	V461-T464 HydrophobicContact CG1-CG2 4.16Å; T464-M466 PolarHBondContact O-N 3.38Å; T464-Q467 CarbonylContact O-C 3.58Å; T464-Q467 WeakPolarHBondContact O-CA 3.34Å; T464-Q467 WeakPolarHBondContact O-CB 3.07Å; T464-Q467 PolarHBondContact O-N 3.4Å; T464-Q467 PolarHBondContact OG1-OE1 3.45Å; T464-L468 PolarHBondContact O-N 3.49Å
465	S	90.3	Very high	87	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.007	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-37.2	179.2	-38.8	0	0	0	0	113.5	E450 Q467 L468 N469 G470 R473	E450-S465 WeakPolarHBondContact OE2-CB 3.44Å; E450-S465 PolarHBondContact OE2-OG 3.43Å; S465-Q467 VanDerWaalsContact C-N 3.32Å; S465-Q467 PolarHBondContact O-N 2.93Å; S465-L468 CarbonylContact O-C 3.5Å; S465-L468 VanDerWaalsContact O-C 3.31Å; S465-L468 PolarHBondContact O-N 2.89Å; S465-N469 PolarHBondContact O-N 3.29Å; S465-G470 CarbonylContact C-O 3.6Å; S465-G470 WeakPolarHBondContact CB-O 3.5Å; S465-G470 PolarHBondContact O-N 3.48Å; S465-R473 WeakPolarHBondContact CA-O 3.34Å; S465-R473 PolarHBondContact N-O 2.95Å; S465-R473 PolarHBondContact OG-N 2.97Å; S465-R473 PolarHBondContact OG-O 3.04Å
466	M	86.9	Confident	88.5	Confident	168 Å²	168	55.6 Å²	55.6	83%	0.828	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-34.4	175.3	-173.1	-177.9	71.5	0	0	112.8	T464	T464-M466 PolarHBondContact O-N 3.38Å
467	Q	89.8	Confident	89.6	Confident	103 Å²	103	52.6 Å²	52.6	48%	0.481	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-24.8	176.5	-64.9	163.5	-82.8	0	0	112.1	M463 T464 S465 N469	M463-Q467 HydrophobicContact CB-CB 4.02Å; M463-Q467 HydrophobicContact CE-CB 4Å; M463-Q467 WeakPolarHBondContact CE-O 3.37Å; M463-Q467 HydrophobicContact CG-CB 4.46Å; T464-Q467 CarbonylContact O-C 3.58Å; T464-Q467 WeakPolarHBondContact O-CA 3.34Å; T464-Q467 WeakPolarHBondContact O-CB 3.07Å; T464-Q467 PolarHBondContact O-N 3.4Å; T464-Q467 PolarHBondContact OG1-OE1 3.45Å; S465-Q467 VanDerWaalsContact C-N 3.32Å; S465-Q467 PolarHBondContact O-N 2.93Å; Q467-N469 VanDerWaalsContact C-N 3.31Å
468	L	92.2	Very high	91	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	14	173.3	-66.8	167.7	0	0	0	112.6	M463 T464 S465 G470 R473 L475 A641 V643	M463-L468 HydrophobicContact CB-CD1 4.18Å; M463-L468 HydrophobicContact CB-CD2 4.17Å; M463-L468 HydrophobicContact CB-CG 3.86Å; M463-L468 HydrophobicContact CE-CD2 3.65Å; M463-L468 HydrophobicContact CE-CG 4.14Å; M463-L468 HydrophobicContact SD-CD2 3.88Å; T464-L468 PolarHBondContact O-N 3.49Å; S465-L468 CarbonylContact O-C 3.5Å; S465-L468 VanDerWaalsContact O-C 3.31Å; S465-L468 PolarHBondContact O-N 2.89Å; L468-G470 PolarHBondContact O-N 3.44Å; L468-R473 HydrophobicContact CB-CB 3.93Å; L468-R473 HydrophobicContact CD1-CB 3.75Å; L468-R473 WeakPolarHBondContact O-CD 3.25Å; L468-R473 PolarHBondContact O-NH1 3.02Å; L468-L475 HydrophobicContact CD1-CB 4.23Å; L468-A641 HydrophobicContact CB-CB 4.41Å; L468-A641 HydrophobicContact CD2-CB 4.3Å; L468-A641 VanDerWaalsContact O-CB 3.3Å; L468-A641 WeakPolarHBondContact O-CB 3.43Å; L468-V643 HydrophobicContact CD2-CG2 4Å
469	N	90	Very high	91.8	Very high	99 Å²	99	44 Å²	44	53%	0.529	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	54.4	174.6	-164.9	27.7	0	0	0	114	S465 Q467 R473 T640	S465-N469 PolarHBondContact O-N 3.29Å; Q467-N469 VanDerWaalsContact C-N 3.31Å; N469-R473 PolarHBondContact O-NH1 3.44Å; N469-R473 VanDerWaalsContact O-NH1 3.1Å; N469-T640 WeakPolarHBondContact CB-O 3.35Å; N469-T640 PolarHBondContact ND2-O 3.05Å
470	G	88.8	Confident	92	Very high	36 Å²	36	43.8 Å²	43.8	37%	0.371	23%	0.231	S	C	.	.	S	Bend	trans	-172.5	-160.7	177.2	0	0	0	0	0	113.1	S465 L468	S465-G470 CarbonylContact C-O 3.6Å; S465-G470 WeakPolarHBondContact CB-O 3.5Å; S465-G470 PolarHBondContact O-N 3.48Å; L468-G470 PolarHBondContact O-N 3.44Å
471	S	88.7	Confident	92.3	Very high	48 Å²	48	41.8 Å²	41.8	34%	0.336	23%	0.232	S	C	.	.	S	Bend	trans	-122.3	148.8	177.3	55.4	0	0	0	0	111.3	N659	S471-N659 PolarHBondContact O-ND2 2.91Å; S471-N659 PolarHBondContact O-OD1 3.08Å
472	H	90.6	Very high	92.4	Very high	63 Å²	63	44 Å²	44	29%	0.292	24%	0.242	S	C	.	.	S	Bend	trans	50	55.1	-174.5	-47.7	138.3	0	0	0	112.1	E450 F555 F653 G654 N659	E450-H472 WeakPolarHBondContact OE1-CA 3.45Å; E450-H472 IonicContact OE1-CD2 2.68Å; E450-H472 PolarHBondContact OE1-CD2 3.46Å; E450-H472 VanDerWaalsContact OE1-CD2 3.23Å; E450-H472 IonicContact OE1-CG 2.68Å; E450-H472 PolarHBondContact OE1-N 3.5Å; H472-F555 HydrophobicContact CB-CE1 4.23Å; H472-F653 CarbonylContact O-C 3.59Å; H472-F653 WeakPolarHBondContact O-CA 3.46Å; H472-G654 PolarHBondContact O-N 3.34Å; H472-N659 PolarHBondContact O-ND2 3.3Å
473	R	94.2	Very high	92.6	Very high	7 Å²	7	46.9 Å²	46.9	3%	0.026	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	140.1	174.9	-55.6	177.5	-175.5	-178.4	-3.9	110.6	S465 L468 N469 F631 T640 G652 E658 N659	S465-R473 WeakPolarHBondContact CA-O 3.34Å; S465-R473 PolarHBondContact N-O 2.95Å; S465-R473 PolarHBondContact OG-N 2.97Å; S465-R473 PolarHBondContact OG-O 3.04Å; L468-R473 HydrophobicContact CB-CB 3.93Å; L468-R473 HydrophobicContact CD1-CB 3.75Å; L468-R473 WeakPolarHBondContact O-CD 3.25Å; L468-R473 PolarHBondContact O-NH1 3.02Å; N469-R473 PolarHBondContact O-NH1 3.44Å; N469-R473 VanDerWaalsContact O-NH1 3.1Å; R473-F631 HydrophobicContact CB-CZ 4.47Å; R473-F631 HydrophobicContact CG-CE1 4.26Å; R473-F631 HydrophobicContact CG-CE2 4.45Å; R473-F631 HydrophobicContact CG-CZ 4.06Å; R473-T640 PolarHBondContact NH1-OG1 3.38Å; R473-G652 CarbonylContact C-O 2.98Å; R473-E658 PolarHBondContact NH2-O 2.9Å; R473-N659 VanDerWaalsContact CG-OD1 3.26Å; R473-N659 WeakPolarHBondContact CG-OD1 3.19Å; R473-N659 PolarHBondContact NE-OD1 3.08Å; R473-N659 PolarHBondContact NH2-OD1 3.45Å
474	V	95.1	Very high	92.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	140.5	172.8	70.8	0	0	0	0	111.8	V461 L476 Y554 F555 V651 G652	V461-V474 HydrophobicContact CG1-CG2 4.07Å; V474-L476 HydrophobicContact CG1-CD1 4.08Å; V474-L476 HydrophobicContact CG1-CG 4.16Å; V474-L476 HydrophobicContact CG2-CD2 3.85Å; V474-L476 HydrophobicContact CG2-CG 3.95Å; V474-Y554 HydrophobicContact CB-CD1 3.84Å; V474-Y554 HydrophobicContact CB-CE1 3.48Å; V474-Y554 VanDerWaalsContact CB-CE1 3.48Å; V474-Y554 HydrophobicContact CB-CE2 4.36Å; V474-Y554 HydrophobicContact CB-CG 4.45Å; V474-Y554 HydrophobicContact CG1-CD1 3.98Å; V474-Y554 HydrophobicContact CG1-CE1 4.12Å; V474-Y554 HydrophobicContact CG2-CD1 3.97Å; V474-Y554 HydrophobicContact CG2-CD2 3.94Å; V474-Y554 HydrophobicContact CG2-CE1 3.65Å; V474-Y554 HydrophobicContact CG2-CE2 3.58Å; V474-Y554 HydrophobicContact CG2-CG 4.11Å; V474-Y554 VanDerWaalsContact CG2-CZ 3.42Å; V474-F555 HydrophobicContact CG1-CE2 4.42Å; V474-F555 HydrophobicContact CG1-CZ 4.06Å; V474-V651 WeakPolarHBondContact O-CA 3.35Å; V474-G652 PolarHBondContact N-O 2.87Å; V474-G652 PolarHBondContact O-N 2.96Å
475	L	96.2	Very high	93.1	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.016	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	118.1	165.9	-169.7	67	0	0	0	109.5	T462 M463 L468 V643 R649 V651	T462-L475 PolarHBondContact N-O 3.5Å; M463-L475 HydrophobicContact CB-CB 3.77Å; M463-L475 HydrophobicContact CB-CD2 4.41Å; M463-L475 HydrophobicContact CG-CB 4.24Å; M463-L475 HydrophobicContact CG-CD2 3.95Å; M463-L475 PolarHBondContact N-O 3.23Å; M463-L475 PolarHBondContact O-N 3.49Å; M463-L475 HydrophobicContact SD-CD2 3.69Å; L468-L475 HydrophobicContact CD1-CB 4.23Å; L475-V643 HydrophobicContact CD1-CG1 3.49Å; L475-V643 VanDerWaalsContact CD1-CG1 3.49Å; L475-V643 HydrophobicContact CD1-CG2 4.28Å; L475-V643 HydrophobicContact CD2-CG1 4.25Å; L475-R649 HydrophobicContact CD1-CG 3.7Å; L475-V651 HydrophobicContact CD1-CG2 3.68Å
476	L	95.8	Very high	93.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	143.3	179	-56.4	159.1	0	0	0	108.5	V454 I459 R460 V461 V474 V479 V550 R649 V650	V454-L476 HydrophobicContact CG2-CD2 4.32Å; I459-L476 HydrophobicContact CG2-CB 4.3Å; I459-L476 HydrophobicContact CG2-CD2 4.19Å; R460-L476 WeakPolarHBondContact O-CA 3.48Å; V461-L476 HydrophobicContact CB-CD2 4.47Å; V461-L476 HydrophobicContact CG2-CD2 3.87Å; V474-L476 HydrophobicContact CG1-CD1 4.08Å; V474-L476 HydrophobicContact CG1-CG 4.16Å; V474-L476 HydrophobicContact CG2-CD2 3.85Å; V474-L476 HydrophobicContact CG2-CG 3.95Å; L476-V479 HydrophobicContact CB-CG2 3.73Å; L476-V550 HydrophobicContact CD1-CG1 3.48Å; L476-V550 VanDerWaalsContact CD1-CG1 3.48Å; L476-V550 HydrophobicContact CD2-CG1 4.45Å; L476-R649 CarbonylContact O-C 3.55Å; L476-R649 VanDerWaalsContact O-CA 3.28Å; L476-R649 WeakPolarHBondContact O-CA 3.3Å; L476-V650 HydrophobicContact CB-CB 4.23Å; L476-V650 HydrophobicContact CD1-CB 4.25Å; L476-V650 HydrophobicContact CD1-CG1 4.34Å; L476-V650 PolarHBondContact N-O 3.45Å; L476-V650 PolarHBondContact O-N 3.45Å
477	D	95.1	Very high	93.7	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	162.8	171.7	-78.6	-53.8	0	0	0	110.1	R460 T462 V479 R646 G648 R649	R460-D477 PolarHBondContact N-O 3.46Å; R460-D477 VanDerWaalsContact NH2-CB 3.32Å; R460-D477 IonicContact NH2-OD2 2.89Å; R460-D477 PolarHBondContact O-N 3.28Å; T462-D477 PolarHBondContact OG1-OD2 3.33Å; T462-D477 VanDerWaalsContact OG1-OD2 3.12Å; D477-V479 PolarHBondContact O-N 3.27Å; D477-R646 IonicContact OD1-CZ 3.85Å; D477-R646 IonicContact OD1-NE 3.21Å; D477-R646 PolarHBondContact OD1-NE 3.21Å; D477-R646 IonicContact OD1-NH2 3.31Å; D477-R646 PolarHBondContact OD1-NH2 3.19Å; D477-R646 IonicContact OD2-CZ 2.71Å; D477-R646 IonicContact OD2-NE 2.78Å; D477-R646 IonicContact OD2-NH2 2.69Å; D477-R646 PolarHBondContact OD2-NH2 2.93Å; D477-G648 CarbonylContact C-O 3.47Å; D477-R649 WeakPolarHBondContact OD1-CB 3.26Å; D477-R649 IonicContact OD1-CZ 2.63Å; D477-R649 IonicContact OD1-NE 2.91Å; D477-R649 PolarHBondContact OD1-NE 3.47Å; D477-R649 IonicContact OD1-NH2 2.96Å; D477-R649 PolarHBondContact OD1-NH2 2.89Å; D477-R649 IonicContact OD2-CZ 3.72Å; D477-R649 IonicContact OD2-NE 3.5Å; D477-R649 IonicContact OD2-NH2 3.92Å; D477-R649 PolarHBondContact OD2-NH2 3.21Å
478	E	93.5	Very high	94	Very high	90 Å²	90	38.3 Å²	38.3	42%	0.421	21%	0.207	S	C	.	.			trans	60.7	27.3	-178.2	-71	130.1	-128.2	0	0	114	N458 R460 G648	N458-E478 PolarHBondContact ND2-O 2.94Å; N458-E478 WeakPolarHBondContact O-CB 3.32Å; R460-E478 IonicContact CZ-OE1 2.92Å; R460-E478 IonicContact CZ-OE2 3.33Å; R460-E478 IonicContact NH1-OE1 3.44Å; R460-E478 PolarHBondContact NH1-OE1 2.9Å; R460-E478 IonicContact NH1-OE2 3.01Å; R460-E478 PolarHBondContact NH1-OE2 3.47Å; R460-E478 IonicContact NH2-OE1 2.78Å; R460-E478 PolarHBondContact NH2-OE1 3.46Å; R460-E478 IonicContact NH2-OE2 3.8Å; E478-G648 PolarHBondContact N-O 2.85Å
479	V	94.6	Very high	94.2	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	22%	0.217	C	C	.	.	S	Bend	trans	-68.3	-35.9	177.7	-177.3	0	0	0	0	112	I459 L476 D477 K546 V547 G648 V650	I459-V479 HydrophobicContact CD1-CB 4.48Å; I459-V479 HydrophobicContact CD1-CG1 4.22Å; I459-V479 HydrophobicContact CD1-CG2 4.4Å; I459-V479 HydrophobicContact CG2-CG2 3.87Å; L476-V479 HydrophobicContact CB-CG2 3.73Å; D477-V479 PolarHBondContact O-N 3.27Å; V479-K546 WeakPolarHBondContact O-CE 3.39Å; V479-K546 PolarHBondContact O-NZ 3.38Å; V479-V547 HydrophobicContact CG1-CG2 4.21Å; V479-G648 WeakPolarHBondContact CB-O 3.25Å; V479-G648 PolarHBondContact N-O 2.62Å; V479-V650 HydrophobicContact CB-CG2 3.91Å; V479-V650 HydrophobicContact CG1-CG2 3.92Å; V479-V650 HydrophobicContact CG2-CB 4.19Å; V479-V650 HydrophobicContact CG2-CG2 3.73Å
480	I	94.8	Very high	94.4	Very high	10 Å²	10	43 Å²	43	5%	0.051	22%	0.219	C	C	.	.	S	Bend	trans	-132.9	164.6	171.9	73.4	169	0	0	0	109.5	D484 C485 L488 L543 L618 L620	I480-D484 HydrophobicContact CB-CB 3.94Å; I480-D484 HydrophobicContact CD1-CB 3.87Å; I480-D484 HydrophobicContact CG1-CB 4.17Å; I480-C485 HydrophobicContact CD1-CB 4.49Å; I480-C485 VanDerWaalsContact CD1-SG 3.59Å; I480-L488 HydrophobicContact CD1-CD1 4.33Å; I480-L543 HydrophobicContact CD1-CD1 4.39Å; I480-L543 HydrophobicContact CG2-CB 4.49Å; I480-L543 HydrophobicContact CG2-CD1 4.2Å; I480-L543 HydrophobicContact CG2-CD2 3.8Å; I480-L543 HydrophobicContact CG2-CG 4.38Å; I480-L618 HydrophobicContact CD1-CD1 4.19Å; I480-L618 HydrophobicContact CD1-CD2 4.19Å; I480-L618 HydrophobicContact CD1-CG 4.5Å; I480-L618 HydrophobicContact CG1-CD1 4.15Å; I480-L618 HydrophobicContact CG2-CD1 4.4Å; I480-L618 HydrophobicContact CG2-CD2 4.17Å; I480-L620 HydrophobicContact CD1-CD2 3.88Å
481	S	94.7	Very high	94.6	Very high	57 Å²	57	41.4 Å²	41.4	40%	0.399	20%	0.202	S	C	.	.			trans	-86.1	164.8	179.2	72.2	0	0	0	0	113.2	D483 D484 C485	S481-D483 PolarHBondContact O-N 3.45Å; S481-D484 VanDerWaalsContact CB-OD2 3.32Å; S481-D484 WeakPolarHBondContact CB-OD2 3.37Å; S481-D484 PolarHBondContact N-OD2 2.76Å; S481-D484 WeakPolarHBondContact O-CB 3.45Å; S481-D484 PolarHBondContact O-N 3.06Å; S481-D484 VanDerWaalsContact O-N 3.13Å; S481-D484 PolarHBondContact OG-N 2.84Å; S481-D484 PolarHBondContact OG-OD2 2.87Å; S481-C485 PolarHBondContact O-N 2.69Å; S481-C485 PolarHBondContact O-SG 2.73Å
482	D	94.8	Very high	94.8	Very high	99 Å²	99	39.1 Å²	39.1	53%	0.529	19%	0.186	S	C	.	.	H	α-helix	trans	-60.1	-28.3	175.4	-58	-46.1	0	0	0	113.2	R486 C647	D482-R486 VanDerWaalsContact C-CZ 3.5Å; D482-R486 WeakPolarHBondContact O-CG 3.29Å; D482-R486 PolarHBondContact O-N 3.04Å; D482-R486 VanDerWaalsContact O-N 3.08Å; D482-R486 PolarHBondContact O-NE 3.42Å; D482-R486 PolarHBondContact O-NH1 3.08Å; D482-C647 PolarHBondContact OD1-SG 3.23Å
483	D	95.7	Very high	94.8	Very high	104 Å²	104	40.3 Å²	40.3	56%	0.556	19%	0.194	S	C	*	.	H	α-helix	trans	-77	-37.3	175.3	-75	-40.1	0	0	0	112.4	S481 C485 R486 E487	S481-D483 PolarHBondContact O-N 3.45Å; D483-C485 VanDerWaalsContact C-N 3.32Å; D483-C485 PolarHBondContact O-N 3.41Å; D483-R486 PolarHBondContact O-N 3.21Å; D483-R486 IonicContact OD1-CZ 3.52Å; D483-R486 VanDerWaalsContact OD1-CZ 3.27Å; D483-R486 IonicContact OD1-NE 3.45Å; D483-R486 PolarHBondContact OD1-NE 3.44Å; D483-R486 IonicContact OD1-NH2 2.75Å; D483-R486 PolarHBondContact OD1-NH2 3.48Å; D483-R486 IonicContact OD2-NH2 3.56Å; D483-E487 WeakPolarHBondContact O-CB 3.42Å; D483-E487 PolarHBondContact O-N 3.01Å
484	D	95.7	Very high	94.6	Very high	37 Å²	37	43.4 Å²	43.4	20%	0.198	22%	0.222	C	C	.	.	H	α-helix	trans	-61	-43.7	171.4	-59.5	-53	0	0	0	110.6	I480 S481 E487 L488 M539 L543	I480-D484 HydrophobicContact CB-CB 3.94Å; I480-D484 HydrophobicContact CD1-CB 3.87Å; I480-D484 HydrophobicContact CG1-CB 4.17Å; S481-D484 VanDerWaalsContact CB-OD2 3.32Å; S481-D484 WeakPolarHBondContact CB-OD2 3.37Å; S481-D484 PolarHBondContact N-OD2 2.76Å; S481-D484 WeakPolarHBondContact O-CB 3.45Å; S481-D484 PolarHBondContact O-N 3.06Å; S481-D484 VanDerWaalsContact O-N 3.13Å; S481-D484 PolarHBondContact OG-N 2.84Å; S481-D484 PolarHBondContact OG-OD2 2.87Å; D484-E487 PolarHBondContact O-N 3.33Å; D484-L488 WeakPolarHBondContact O-CG 3.32Å; D484-L488 PolarHBondContact O-N 2.95Å; D484-M539 HydrophobicContact CB-SD 4.46Å; D484-M539 WeakPolarHBondContact OD1-CE 3.25Å; D484-L543 HydrophobicContact CB-CD1 3.85Å
485	C	96.9	Very high	94.3	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.014	22%	0.224	C	C	.	.	H	α-helix	trans	-56.8	-52.5	173.9	-75.5	0	0	0	0	112.2	I480 S481 D483 E487 L488 Q489 L620 C647 G648	I480-C485 HydrophobicContact CD1-CB 4.49Å; I480-C485 VanDerWaalsContact CD1-SG 3.59Å; S481-C485 PolarHBondContact O-N 2.69Å; S481-C485 PolarHBondContact O-SG 2.73Å; D483-C485 VanDerWaalsContact C-N 3.32Å; D483-C485 PolarHBondContact O-N 3.41Å; C485-E487 VanDerWaalsContact C-N 3.28Å; C485-E487 PolarHBondContact O-N 2.9Å; C485-L488 PolarHBondContact O-N 3.37Å; C485-Q489 VanDerWaalsContact O-CG 3.28Å; C485-Q489 WeakPolarHBondContact O-CG 3.37Å; C485-Q489 PolarHBondContact O-N 2.9Å; C485-L620 VanDerWaalsContact CB-O 3.31Å; C485-L620 WeakPolarHBondContact CB-O 3.4Å; C485-C647 HydrophobicContact CB-CB 3.88Å; C485-C647 WeakPolarHBondContact CB-SG 3.39Å; C485-C647 WeakPolarHBondContact SG-CA 3.44Å; C485-C647 WeakPolarHBondContact SG-CB 3.37Å; C485-C647 CovalentContact SG-SG 2.03Å; C485-C647 PolarHBondContact SG-SG 2.8Å; C485-G648 PolarHBondContact SG-N 2.77Å; C485-G648 VanDerWaalsContact SG-N 3.4Å
486	R	95.9	Very high	93.9	Very high	105 Å²	105	44.5 Å²	44.5	40%	0.396	23%	0.231	S	C	.	.	H	α-helix	trans	-58.9	-38.7	177.6	-78.5	-178.7	-78.5	-88.3	6.3	112.2	D482 D483 R490	D482-R486 VanDerWaalsContact C-CZ 3.5Å; D482-R486 WeakPolarHBondContact O-CG 3.29Å; D482-R486 PolarHBondContact O-N 3.04Å; D482-R486 VanDerWaalsContact O-N 3.08Å; D482-R486 PolarHBondContact O-NE 3.42Å; D482-R486 PolarHBondContact O-NH1 3.08Å; D483-R486 PolarHBondContact O-N 3.21Å; D483-R486 IonicContact OD1-CZ 3.52Å; D483-R486 VanDerWaalsContact OD1-CZ 3.27Å; D483-R486 IonicContact OD1-NE 3.45Å; D483-R486 PolarHBondContact OD1-NE 3.44Å; D483-R486 IonicContact OD1-NH2 2.75Å; D483-R486 PolarHBondContact OD1-NH2 3.48Å; D483-R486 IonicContact OD2-NH2 3.56Å; R486-R490 VanDerWaalsContact O-CG 3.3Å; R486-R490 WeakPolarHBondContact O-CG 3.36Å; R486-R490 PolarHBondContact O-N 3.05Å; R486-R490 VanDerWaalsContact O-N 3.09Å
487	E	95.8	Very high	93.5	Very high	42 Å²	42	49.1 Å²	49.1	20%	0.196	26%	0.256	C	S	.	.	H	α-helix	trans	-76.4	-36.3	-177.5	-165	57.8	-155.7	0	0	112.7	D483 D484 C485 R490 L491 S536 M539	D483-E487 WeakPolarHBondContact O-CB 3.42Å; D483-E487 PolarHBondContact O-N 3.01Å; D484-E487 PolarHBondContact O-N 3.33Å; C485-E487 VanDerWaalsContact C-N 3.28Å; C485-E487 PolarHBondContact O-N 2.9Å; E487-R490 PolarHBondContact O-N 3.36Å; E487-R490 VanDerWaalsContact OE2-CD 3.27Å; E487-R490 WeakPolarHBondContact OE2-CD 3.46Å; E487-R490 IonicContact OE2-CZ 2.67Å; E487-R490 IonicContact OE2-NE 2.75Å; E487-R490 IonicContact OE2-NH1 3.18Å; E487-R490 PolarHBondContact OE2-NH1 3.21Å; E487-L491 WeakPolarHBondContact O-CB 3.17Å; E487-L491 PolarHBondContact O-N 3.39Å; E487-S536 WeakPolarHBondContact OE1-CB 3.5Å; E487-S536 PolarHBondContact OE1-OG 3.16Å; E487-M539 HydrophobicContact CB-SD 3.92Å; E487-M539 HydrophobicContact CG-SD 4.04Å
488	L	96	Very high	93.2	Very high	1 Å²	1	55 Å²	55	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-67.8	-35.7	170.7	-69.9	-176	0	0	0	112.8	I480 D484 C485 L491 S492 M539 F540 L543 L620 V674	I480-L488 HydrophobicContact CD1-CD1 4.33Å; D484-L488 WeakPolarHBondContact O-CG 3.32Å; D484-L488 PolarHBondContact O-N 2.95Å; C485-L488 PolarHBondContact O-N 3.37Å; L488-L491 HydrophobicContact CD2-CD2 4.25Å; L488-L491 PolarHBondContact O-N 3.09Å; L488-S492 PolarHBondContact O-N 3.33Å; L488-M539 HydrophobicContact CD2-CG 4.41Å; L488-F540 HydrophobicContact CD2-CB 3.73Å; L488-F540 HydrophobicContact CD2-CG 4.45Å; L488-L543 HydrophobicContact CD1-CD1 3.86Å; L488-L543 HydrophobicContact CG-CD1 4.32Å; L488-L620 HydrophobicContact CB-CD1 3.69Å; L488-L620 HydrophobicContact CB-CD2 4.13Å; L488-L620 HydrophobicContact CD1-CD1 4.43Å; L488-L620 HydrophobicContact CD1-CD2 3.71Å; L488-V674 HydrophobicContact CD1-CG2 4.28Å
489	Q	94.9	Very high	92.5	Very high	43 Å²	43	50.8 Å²	50.8	20%	0.201	26%	0.262	C	S	.	.	H	α-helix	trans	-62	-43.8	171.2	-71.3	169.8	35.8	0	0	111.9	C485 S492 N493 L620 C672	C485-Q489 VanDerWaalsContact O-CG 3.28Å; C485-Q489 WeakPolarHBondContact O-CG 3.37Å; C485-Q489 PolarHBondContact O-N 2.9Å; Q489-S492 PolarHBondContact O-N 2.94Å; Q489-N493 PolarHBondContact O-N 3.11Å; Q489-N493 PolarHBondContact O-ND2 2.75Å; Q489-L620 HydrophobicContact CG-CB 4.14Å; Q489-L620 PolarHBondContact NE2-O 3.01Å; Q489-C672 HydrophobicContact CG-CB 4.4Å
490	R	94.2	Very high	91.8	Very high	153 Å²	153	51.8 Å²	51.8	58%	0.577	27%	0.267	S	S	*	.	H	α-helix	trans	-62.1	-45.8	175.2	-73.6	166.2	-178.1	159.2	1.9	111.7	R486 E487 S492 N493 A494	R486-R490 VanDerWaalsContact O-CG 3.3Å; R486-R490 WeakPolarHBondContact O-CG 3.36Å; R486-R490 PolarHBondContact O-N 3.05Å; R486-R490 VanDerWaalsContact O-N 3.09Å; E487-R490 PolarHBondContact O-N 3.36Å; E487-R490 VanDerWaalsContact OE2-CD 3.27Å; E487-R490 WeakPolarHBondContact OE2-CD 3.46Å; E487-R490 IonicContact OE2-CZ 2.67Å; E487-R490 IonicContact OE2-NE 2.75Å; E487-R490 IonicContact OE2-NH1 3.18Å; E487-R490 PolarHBondContact OE2-NH1 3.21Å; R490-S492 VanDerWaalsContact C-N 3.33Å; R490-S492 PolarHBondContact O-N 3.39Å; R490-N493 PolarHBondContact O-N 3.14Å; R490-A494 WeakPolarHBondContact O-CB 3.33Å; R490-A494 PolarHBondContact O-N 2.83Å
491	L	94.5	Very high	90.7	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.016	29%	0.294	C	S	.	.	H	α-helix	trans	-56.5	-48.4	175.2	178.7	68.1	0	0	0	110.6	E487 L488 A494 A495 A523 V532 F540 L568	E487-L491 WeakPolarHBondContact O-CB 3.17Å; E487-L491 PolarHBondContact O-N 3.39Å; L488-L491 HydrophobicContact CD2-CD2 4.25Å; L488-L491 PolarHBondContact O-N 3.09Å; L491-A494 PolarHBondContact O-N 2.98Å; L491-A495 HydrophobicContact CD1-CB 4.4Å; L491-A495 WeakPolarHBondContact O-CB 3.35Å; L491-A495 PolarHBondContact O-N 2.74Å; L491-A523 HydrophobicContact CD2-CB 4.37Å; L491-V532 HydrophobicContact CD1-CB 4.05Å; L491-V532 HydrophobicContact CD1-CG1 4.32Å; L491-V532 HydrophobicContact CD1-CG2 3.81Å; L491-F540 HydrophobicContact CD2-CB 3.76Å; L491-F540 HydrophobicContact CD2-CD1 4.2Å; L491-F540 HydrophobicContact CD2-CG 4.31Å; L491-L568 HydrophobicContact CD2-CD2 4.02Å; L491-L568 HydrophobicContact CG-CD2 4.27Å
492	S	92.8	Very high	89.6	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.5	-51.1	177.8	-166.8	0	0	0	0	111.6	L488 Q489 R490 A494 A495 A496 C570	L488-S492 PolarHBondContact O-N 3.33Å; Q489-S492 PolarHBondContact O-N 2.94Å; R490-S492 VanDerWaalsContact C-N 3.33Å; R490-S492 PolarHBondContact O-N 3.39Å; S492-A494 PolarHBondContact O-N 3Å; S492-A494 VanDerWaalsContact O-N 3.12Å; S492-A495 PolarHBondContact O-N 2.79Å; S492-A496 WeakPolarHBondContact O-CA 3.2Å; S492-A496 WeakPolarHBondContact O-CB 3.37Å; S492-A496 PolarHBondContact O-N 2.92Å; S492-C570 PolarHBondContact OG-SG 3.14Å
493	N	90.2	Very high	88.6	Confident	88 Å²	88	56 Å²	56	47%	0.471	30%	0.302	S	S	.	.	H	α-helix	trans	-68.9	-10.3	-179.2	-77.5	-51.9	0	0	0	114.6	Q489 R490 Q516 Q670	Q489-N493 PolarHBondContact O-N 3.11Å; Q489-N493 PolarHBondContact O-ND2 2.75Å; R490-N493 PolarHBondContact O-N 3.14Å; N493-Q516 PolarHBondContact OD1-NE2 3.43Å; N493-Q670 PolarHBondContact ND2-OE1 2.75Å; N493-Q670 PolarHBondContact OD1-NE2 2.83Å; N493-Q670 PolarHBondContact OD1-OE1 2.87Å
494	A	89.8	Confident	87.6	Confident	73 Å²	73	53.2 Å²	53.2	60%	0.603	30%	0.299	S	S	*	.	H	α-helix	trans	-100.8	-28.5	171.8	0	0	0	0	0	114.3	R490 L491 S492 V532	R490-A494 WeakPolarHBondContact O-CB 3.33Å; R490-A494 PolarHBondContact O-N 2.83Å; L491-A494 PolarHBondContact O-N 2.98Å; S492-A494 PolarHBondContact O-N 3Å; S492-A494 VanDerWaalsContact O-N 3.12Å; A494-V532 HydrophobicContact CB-CG1 3.82Å
495	A	88.6	Confident	86.8	Confident	5 Å²	5	54.7 Å²	54.7	4%	0.041	30%	0.304	C	S	.	.	H	α-helix	trans	-113.1	-16.9	-171.4	0	0	0	0	0	115	L491 S492 V518 L526 V532	L491-A495 HydrophobicContact CD1-CB 4.4Å; L491-A495 WeakPolarHBondContact O-CB 3.35Å; L491-A495 PolarHBondContact O-N 2.74Å; S492-A495 PolarHBondContact O-N 2.79Å; A495-V518 HydrophobicContact CB-CG2 4.08Å; A495-L526 HydrophobicContact CB-CD1 3.69Å; A495-V532 HydrophobicContact CB-CG1 4.13Å
496	A	86.8	Confident	86.2	Confident	21 Å²	21	57.6 Å²	57.6	17%	0.174	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-74.8	136.4	-173.9	0	0	0	0	0	112.6	S492 Q516 G517	S492-A496 WeakPolarHBondContact O-CA 3.2Å; S492-A496 WeakPolarHBondContact O-CB 3.37Å; S492-A496 PolarHBondContact O-N 2.92Å; A496-Q516 HydrophobicContact CB-CB 3.96Å; A496-Q516 HydrophobicContact CB-CG 3.92Å; A496-G517 CarbonylContact C-O 3.49Å; A496-G517 WeakPolarHBondContact CA-O 3.35Å; A496-G517 WeakPolarHBondContact CB-O 3.35Å
497	L	87.8	Confident	85.8	Confident	97 Å²	97	54.6 Å²	54.6	51%	0.508	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	146.1	166.9	-62.8	-171.2	0	0	0	110.3	G499 D500 Q516 G517	L497-G499 PolarHBondContact O-N 3.49Å; L497-D500 HydrophobicContact CB-CB 4.42Å; L497-D500 PolarHBondContact O-N 3.12Å; L497-Q516 CarbonylContact O-C 3.55Å; L497-Q516 WeakPolarHBondContact O-CA 3.46Å; L497-Q516 WeakPolarHBondContact O-CB 3.43Å; L497-G517 PolarHBondContact N-O 3.15Å; L497-G517 PolarHBondContact O-N 3.25Å
498	K	89.4	Confident	85.2	Confident	125 Å²	125	54.8 Å²	54.8	54%	0.543	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	129.4	172.2	-61.7	-176.6	178.2	176.5	0	108.7	D500 P506 M514 F515 Q516	K498-D500 VanDerWaalsContact C-N 3.34Å; K498-P506 HydrophobicContact CB-CB 4.21Å; K498-P506 HydrophobicContact CB-CG 4.28Å; K498-M514 HydrophobicContact CD-CG 4.46Å; K498-M514 HydrophobicContact CD-SD 3.97Å; K498-M514 HydrophobicContact CG-SD 3.81Å; K498-F515 WeakPolarHBondContact CA-O 3.46Å; K498-Q516 HydrophobicContact CG-CB 4.47Å
499	G	79.2	Confident	84.6	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.01	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	28.8	-174.3	0	0	0	0	0	115.2	L497 G501 Y502 G504 H505 F515	L497-G499 PolarHBondContact O-N 3.49Å; G499-G501 PolarHBondContact O-N 3.12Å; G499-Y502 CarbonylContact O-C 3.53Å; G499-Y502 WeakPolarHBondContact O-CA 3.37Å; G499-Y502 PolarHBondContact O-N 3.11Å; G499-G504 PolarHBondContact O-N 3.47Å; G499-G504 VanDerWaalsContact O-N 3.13Å; G499-H505 WeakPolarHBondContact CA-O 3.49Å; G499-F515 PolarHBondContact N-O 3.19Å
500	D	80	Confident	84.3	Confident	21 Å²	21	55.7 Å²	55.7	11%	0.112	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	129.2	172.5	-146.4	52.4	0	0	0	110.5	L497 K498 Y502 F515 G517 K522 H567	L497-D500 HydrophobicContact CB-CB 4.42Å; L497-D500 PolarHBondContact O-N 3.12Å; K498-D500 VanDerWaalsContact C-N 3.34Å; D500-Y502 WeakPolarHBondContact O-CD2 3.34Å; D500-Y502 PolarHBondContact O-N 3.24Å; D500-F515 WeakPolarHBondContact O-CE1 3.35Å; D500-G517 WeakPolarHBondContact CB-O 3.42Å; D500-G517 VanDerWaalsContact CG-O 3.24Å; D500-K522 IonicContact OD1-NZ 2.98Å; D500-K522 PolarHBondContact OD1-NZ 3.33Å; D500-K522 IonicContact OD2-NZ 2.77Å; D500-H567 IonicContact OD2-NE2 3.85Å
501	G	70.9	Confident	84.1	Confident	61 Å²	61	52.5 Å²	52.5	63%	0.629	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	1	-171.3	0	0	0	0	0	115.8	G499	G499-G501 PolarHBondContact O-N 3.12Å
502	Y	72.2	Confident	83.9	Confident	83 Å²	83	53 Å²	53	33%	0.325	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.3	40.2	179	-63.7	-88	0	0	0	112.1	G499 D500 G504 H505 P508 H509 F515	G499-Y502 CarbonylContact O-C 3.53Å; G499-Y502 WeakPolarHBondContact O-CA 3.37Å; G499-Y502 PolarHBondContact O-N 3.11Å; D500-Y502 WeakPolarHBondContact O-CD2 3.34Å; D500-Y502 PolarHBondContact O-N 3.24Å; Y502-G504 PolarHBondContact O-N 2.87Å; Y502-G504 VanDerWaalsContact O-N 3.11Å; Y502-H505 VanDerWaalsContact O-CB 3.27Å; Y502-H505 WeakPolarHBondContact O-CB 3.38Å; Y502-H505 PolarHBondContact O-N 3.08Å; Y502-H505 PolarHBondContact O-ND1 2.99Å; Y502-P508 HydrophobicContact CD1-CB 3.46Å; Y502-P508 VanDerWaalsContact CD1-CB 3.46Å; Y502-P508 HydrophobicContact CD1-CG 3.82Å; Y502-P508 HydrophobicContact CD2-CB 4.32Å; Y502-P508 HydrophobicContact CD2-CG 3.8Å; Y502-P508 HydrophobicContact CE1-CB 4.07Å; Y502-P508 HydrophobicContact CE1-CG 4.22Å; Y502-P508 HydrophobicContact CE2-CG 4.22Å; Y502-P508 HydrophobicContact CG-CB 3.61Å; Y502-P508 HydrophobicContact CG-CG 3.59Å; Y502-H509 AromaticContact CE1-NE2 3.64Å; Y502-H509 AromaticContact CZ-NE2 3.44Å; Y502-H509 PolarHBondContact OH-NE2 2.97Å; Y502-F515 HydrophobicContact CD2-CD1 4.04Å; Y502-F515 AromaticContact CD2-CE1 3.83Å; Y502-F515 HydrophobicContact CD2-CE1 3.83Å; Y502-F515 HydrophobicContact CD2-CZ 4.29Å; Y502-F515 HydrophobicContact CE2-CD1 4.25Å; Y502-F515 AromaticContact CE2-CE1 3.8Å; Y502-F515 HydrophobicContact CE2-CE1 3.8Å; Y502-F515 HydrophobicContact CE2-CE2 4.23Å; Y502-F515 AromaticContact CE2-CZ 3.77Å; Y502-F515 HydrophobicContact CE2-CZ 3.77Å
503	S	72.4	Confident	84	Confident	110 Å²	110	53.1 Å²	53.1	77%	0.769	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	43.1	178.8	-57.6	0	0	0	0	113.4	H505	S503-H505 PolarHBondContact O-N 3.4Å; S503-H505 VanDerWaalsContact O-N 3.12Å; S503-H505 PolarHBondContact O-ND1 3.18Å
504	G	76.2	Confident	84.1	Confident	47 Å²	47	50.5 Å²	50.5	49%	0.485	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	1.4	179.4	0	0	0	0	0	115.7	G499 Y502 P506	G499-G504 PolarHBondContact O-N 3.47Å; G499-G504 VanDerWaalsContact O-N 3.13Å; Y502-G504 PolarHBondContact O-N 2.87Å; Y502-G504 VanDerWaalsContact O-N 3.11Å; G504-P506 WeakPolarHBondContact O-CD 3.04Å
505	H	77.7	Confident	84.3	Confident	68 Å²	68	47.5 Å²	47.5	32%	0.315	29%	0.29	S	S	.	.			trans	-70.9	113.2	-178.2	-72.1	49.2	0	0	0	110.6	Y45 G499 Y502 S503 S507 P508	Y45-H505 AromaticContact CD2-NE2 3.79Å; Y45-H505 AromaticContact CE1-NE2 3.89Å; Y45-H505 AromaticContact CE2-CE1 3.73Å; Y45-H505 AromaticContact CE2-NE2 3.37Å; Y45-H505 WeakPolarHBondContact CE2-NE2 3.27Å; Y45-H505 AromaticContact CZ-CE1 3.87Å; Y45-H505 AromaticContact CZ-NE2 3.42Å; G499-H505 WeakPolarHBondContact CA-O 3.49Å; Y502-H505 VanDerWaalsContact O-CB 3.27Å; Y502-H505 WeakPolarHBondContact O-CB 3.38Å; Y502-H505 PolarHBondContact O-N 3.08Å; Y502-H505 PolarHBondContact O-ND1 2.99Å; S503-H505 PolarHBondContact O-N 3.4Å; S503-H505 VanDerWaalsContact O-N 3.12Å; S503-H505 PolarHBondContact O-ND1 3.18Å; H505-S507 PolarHBondContact O-N 2.97Å; H505-P508 WeakPolarHBondContact O-CD 3.36Å
506	P	84.5	Confident	84.5	Confident	62 Å²	62	48 Å²	48	40%	0.403	29%	0.292	S	S	.	.	S	Bend	trans	-72.2	-14	-171.9	-21.3	35.6	0	0	0	114.5	K498 G504 M514 F515	K498-P506 HydrophobicContact CB-CB 4.21Å; K498-P506 HydrophobicContact CB-CG 4.28Å; G504-P506 WeakPolarHBondContact O-CD 3.04Å; P506-M514 HydrophobicContact CB-CG 4.31Å; P506-M514 CarbonylContact O-C 3.54Å; P506-M514 VanDerWaalsContact O-CA 3.3Å; P506-M514 WeakPolarHBondContact O-CA 3.39Å; P506-F515 PolarHBondContact O-N 2.89Å
507	S	88	Confident	84.9	Confident	42 Å²	42	47 Å²	47	29%	0.294	28%	0.283	S	S	.	.			trans	-134.7	60.4	-174	-64.3	0	0	0	0	111.9	H505 H509 T510 E513	H505-S507 PolarHBondContact O-N 2.97Å; S507-H509 PolarHBondContact O-N 3.36Å; S507-T510 WeakPolarHBondContact CB-O 3.38Å; S507-E513 VanDerWaalsContact CB-O 3.3Å; S507-E513 WeakPolarHBondContact CB-O 3.28Å; S507-E513 PolarHBondContact OG-O 3.28Å
508	P	82.9	Confident	85.2	Confident	46 Å²	46	42.4 Å²	42.4	30%	0.299	26%	0.259	S	S	.	.	S	Bend	trans	-78.1	-20.5	-163.1	28	-30.9	0	0	0	114.9	Y502 H505 F515	Y502-P508 HydrophobicContact CD1-CB 3.46Å; Y502-P508 VanDerWaalsContact CD1-CB 3.46Å; Y502-P508 HydrophobicContact CD1-CG 3.82Å; Y502-P508 HydrophobicContact CD2-CB 4.32Å; Y502-P508 HydrophobicContact CD2-CG 3.8Å; Y502-P508 HydrophobicContact CE1-CB 4.07Å; Y502-P508 HydrophobicContact CE1-CG 4.22Å; Y502-P508 HydrophobicContact CE2-CG 4.22Å; Y502-P508 HydrophobicContact CG-CB 3.61Å; Y502-P508 HydrophobicContact CG-CG 3.59Å; H505-P508 WeakPolarHBondContact O-CD 3.36Å; P508-F515 HydrophobicContact CG-CB 4.16Å; P508-F515 HydrophobicContact CG-CG 4.35Å
509	H	83.9	Confident	85.4	Confident	54 Å²	54	37 Å²	37	25%	0.25	24%	0.237	C	C	.	.	S	Bend	trans	-104	-29	178.5	-70.2	-91.1	0	0	0	113.4	Y502 S507 R571 S585 H586 P587	Y502-H509 AromaticContact CE1-NE2 3.64Å; Y502-H509 AromaticContact CZ-NE2 3.44Å; Y502-H509 PolarHBondContact OH-NE2 2.97Å; S507-H509 PolarHBondContact O-N 3.36Å; H509-R571 PolarHBondContact CD2-NH2 2.87Å; H509-S585 WeakPolarHBondContact CB-O 3.4Å; H509-H586 AromaticContact CE1-CD2 3.64Å; H509-H586 AromaticContact CE1-CE1 3.8Å; H509-H586 AromaticContact CE1-NE2 3.33Å; H509-H586 PolarHBondContact CE1-NE2 3.13Å; H509-H586 VanDerWaalsContact CE1-NE2 3.33Å; H509-H586 AromaticContact NE2-CD2 3.92Å; H509-H586 AromaticContact NE2-NE2 3.79Å; H509-P587 VanDerWaalsContact ND1-CD 3.34Å; H509-P587 WeakPolarHBondContact ND1-CD 3.33Å
510	T	88.4	Confident	86.1	Confident	9 Å²	9	37 Å²	37	6%	0.055	24%	0.237	C	C	.	.			trans	-162.7	136.4	-173.7	172.4	0	0	0	0	109.7	S507 S512 E513 R581 D583	S507-T510 WeakPolarHBondContact CB-O 3.38Å; T510-S512 PolarHBondContact O-N 3.29Å; T510-S512 VanDerWaalsContact O-N 3.16Å; T510-E513 HydrophobicContact CG2-CB 4.03Å; T510-E513 HydrophobicContact CG2-CG 4.22Å; T510-E513 PolarHBondContact O-N 2.86Å; T510-R581 PolarHBondContact OG1-NH2 2.68Å; T510-D583 VanDerWaalsContact CB-OD2 3.26Å; T510-D583 WeakPolarHBondContact CB-OD2 3.23Å; T510-D583 PolarHBondContact OG1-OD2 2.86Å
511	P	88.9	Confident	86.7	Confident	86 Å²	86	36.4 Å²	36.4	56%	0.558	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-7.9	-176.2	30.8	-37.5	0	0	0	114.1	K577	P511-K577 WeakPolarHBondContact O-CD 3.41Å; P511-K577 PolarHBondContact O-NZ 3.34Å
512	S	92.1	Very high	87.7	Confident	14 Å²	14	35.9 Å²	35.9	10%	0.098	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-1.6	-177.5	-61.2	0	0	0	0	114.3	T510 I574 K577 Q578	T510-S512 PolarHBondContact O-N 3.29Å; T510-S512 VanDerWaalsContact O-N 3.16Å; S512-I574 WeakPolarHBondContact O-CB 3.44Å; S512-I574 PolarHBondContact O-N 3.29Å; S512-K577 VanDerWaalsContact CB-O 3.31Å; S512-K577 WeakPolarHBondContact CB-O 3.36Å; S512-K577 WeakPolarHBondContact OG-CB 3.18Å; S512-K577 PolarHBondContact OG-O 2.97Å; S512-Q578 PolarHBondContact O-NE2 2.89Å
513	E	93.6	Very high	88.8	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.009	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	150.6	175	-73.8	169	-146	0	0	111.5	S507 T510 R571 S572 R581 S585 V666	S507-E513 VanDerWaalsContact CB-O 3.3Å; S507-E513 WeakPolarHBondContact CB-O 3.28Å; S507-E513 PolarHBondContact OG-O 3.28Å; T510-E513 HydrophobicContact CG2-CB 4.03Å; T510-E513 HydrophobicContact CG2-CG 4.22Å; T510-E513 PolarHBondContact O-N 2.86Å; E513-R571 IonicContact OE2-NH1 3.43Å; E513-R571 PolarHBondContact OE2-NH1 2.92Å; E513-R571 VanDerWaalsContact OE2-NH1 3.16Å; E513-S572 CarbonylContact C-O 3.47Å; E513-S572 VanDerWaalsContact CA-O 3.3Å; E513-S572 WeakPolarHBondContact CA-O 3.37Å; E513-R581 IonicContact OE1-CZ 2.7Å; E513-R581 IonicContact OE1-NH1 2.66Å; E513-R581 PolarHBondContact OE1-NH1 3.4Å; E513-R581 VanDerWaalsContact OE1-NH1 3.08Å; E513-R581 IonicContact OE1-NH2 2.66Å; E513-R581 PolarHBondContact OE1-NH2 2.79Å; E513-S585 WeakPolarHBondContact OE1-CA 3.27Å; E513-S585 VanDerWaalsContact OE1-CB 3.28Å; E513-S585 WeakPolarHBondContact OE1-CB 3.29Å; E513-S585 PolarHBondContact OE1-OG 2.69Å; E513-S585 VanDerWaalsContact OE2-CB 3.27Å; E513-S585 WeakPolarHBondContact OE2-CB 3.33Å; E513-S585 PolarHBondContact OE2-OG 3.16Å; E513-V666 HydrophobicContact CG-CB 4.5Å; E513-V666 PolarHBondContact OE1-N 2.7Å
514	M	93.2	Very high	89.7	Confident	34 Å²	34	26.7 Å²	26.7	17%	0.167	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	117.5	172.2	-171.5	-83.1	-61.4	0	0	109.3	K498 P506 Q516 R571 S572 I574	K498-M514 HydrophobicContact CD-CG 4.46Å; K498-M514 HydrophobicContact CD-SD 3.97Å; K498-M514 HydrophobicContact CG-SD 3.81Å; P506-M514 HydrophobicContact CB-CG 4.31Å; P506-M514 CarbonylContact O-C 3.54Å; P506-M514 VanDerWaalsContact O-CA 3.3Å; P506-M514 WeakPolarHBondContact O-CA 3.39Å; M514-Q516 HydrophobicContact SD-CB 4.22Å; M514-R571 CarbonylContact O-C 3.43Å; M514-R571 WeakPolarHBondContact O-CA 3.32Å; M514-S572 PolarHBondContact N-O 3.37Å; M514-S572 PolarHBondContact O-N 2.83Å; M514-I574 HydrophobicContact CB-CD1 4.42Å; M514-I574 HydrophobicContact CB-CG1 4.38Å
515	F	93.1	Very high	90.4	Very high	9 Å²	9	28.5 Å²	28.5	4%	0.039	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132	177.6	-178.2	-82.1	0	0	0	110.4	K498 G499 D500 Y502 P506 P508 V569 R571	K498-F515 WeakPolarHBondContact CA-O 3.46Å; G499-F515 PolarHBondContact N-O 3.19Å; D500-F515 WeakPolarHBondContact O-CE1 3.35Å; Y502-F515 HydrophobicContact CD2-CD1 4.04Å; Y502-F515 AromaticContact CD2-CE1 3.83Å; Y502-F515 HydrophobicContact CD2-CE1 3.83Å; Y502-F515 HydrophobicContact CD2-CZ 4.29Å; Y502-F515 HydrophobicContact CE2-CD1 4.25Å; Y502-F515 AromaticContact CE2-CE1 3.8Å; Y502-F515 HydrophobicContact CE2-CE1 3.8Å; Y502-F515 HydrophobicContact CE2-CE2 4.23Å; Y502-F515 AromaticContact CE2-CZ 3.77Å; Y502-F515 HydrophobicContact CE2-CZ 3.77Å; P506-F515 PolarHBondContact O-N 2.89Å; P508-F515 HydrophobicContact CG-CB 4.16Å; P508-F515 HydrophobicContact CG-CG 4.35Å; F515-V569 HydrophobicContact CE1-CG1 4.48Å; F515-V569 HydrophobicContact CE2-CB 4.1Å; F515-V569 HydrophobicContact CE2-CG1 4.01Å; F515-V569 HydrophobicContact CZ-CB 4.05Å; F515-V569 HydrophobicContact CZ-CG1 3.54Å; F515-R571 HydrophobicContact CD2-CG 3.88Å
516	Q	93.5	Very high	90.9	Very high	17 Å²	17	26.9 Å²	26.9	8%	0.079	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	151.2	169.8	66.8	-175.9	34.9	0	0	110.6	N493 A496 L497 K498 M514 V569 C570	N493-Q516 PolarHBondContact OD1-NE2 3.43Å; A496-Q516 HydrophobicContact CB-CB 3.96Å; A496-Q516 HydrophobicContact CB-CG 3.92Å; L497-Q516 CarbonylContact O-C 3.55Å; L497-Q516 WeakPolarHBondContact O-CA 3.46Å; L497-Q516 WeakPolarHBondContact O-CB 3.43Å; K498-Q516 HydrophobicContact CG-CB 4.47Å; M514-Q516 HydrophobicContact SD-CB 4.22Å; Q516-V569 WeakPolarHBondContact O-CA 3.41Å; Q516-C570 HydrophobicContact CG-CB 3.91Å; Q516-C570 PolarHBondContact N-O 2.62Å; Q516-C570 PolarHBondContact O-N 2.82Å
517	G	94.2	Very high	91.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	175	176.4	0	0	0	0	0	115.5	A496 L497 D500 H567 L568	A496-G517 CarbonylContact C-O 3.49Å; A496-G517 WeakPolarHBondContact CA-O 3.35Å; A496-G517 WeakPolarHBondContact CB-O 3.35Å; L497-G517 PolarHBondContact N-O 3.15Å; L497-G517 PolarHBondContact O-N 3.25Å; D500-G517 WeakPolarHBondContact CB-O 3.42Å; D500-G517 VanDerWaalsContact CG-O 3.24Å; G517-H567 WeakPolarHBondContact CA-NE2 3.43Å; G517-L568 CarbonylContact C-O 3.59Å; G517-L568 WeakPolarHBondContact CA-O 3.17Å
518	V	94.6	Very high	91	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	134.2	-179.2	62.7	0	0	0	0	111.6	A495 K522 A523 H567 L568	A495-V518 HydrophobicContact CB-CG2 4.08Å; V518-K522 HydrophobicContact CG2-CB 3.97Å; V518-K522 HydrophobicContact CG2-CD 4.02Å; V518-K522 HydrophobicContact CG2-CG 3.85Å; V518-A523 HydrophobicContact CG2-CB 4.14Å; V518-H567 PolarHBondContact N-NE2 3.47Å; V518-L568 HydrophobicContact CG1-CB 3.86Å; V518-L568 HydrophobicContact CG1-CD2 3.82Å; V518-L568 HydrophobicContact CG1-CG 3.99Å; V518-L568 PolarHBondContact N-O 2.77Å; V518-L568 PolarHBondContact O-N 3.47Å; V518-L568 VanDerWaalsContact O-N 3.08Å
519	T	94.4	Very high	91.2	Very high	12 Å²	12	30.2 Å²	30.2	7%	0.074	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	160.2	172	76.5	0	0	0	0	112.1	L521 K522 A523 Y565 E688	T519-L521 PolarHBondContact O-N 2.9Å; T519-K522 PolarHBondContact O-N 2.88Å; T519-K522 WeakPolarHBondContact OG1-CB 3.33Å; T519-K522 PolarHBondContact OG1-N 3.41Å; T519-A523 PolarHBondContact O-N 3.44Å; T519-Y565 HydrophobicContact CG2-CE2 4.03Å; T519-E688 WeakPolarHBondContact CB-OE2 3.47Å; T519-E688 PolarHBondContact OG1-OE2 2.99Å
520	V	94.1	Very high	91.2	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	17%	0.172	C	C	.	.	H	α-helix	trans	-59.2	-46	-178.4	173.8	0	0	0	0	112.1	K522 A523 I524 F540 F541 S566 A692	V520-K522 VanDerWaalsContact C-N 3.33Å; V520-K522 PolarHBondContact O-N 3.24Å; V520-A523 PolarHBondContact O-N 3.16Å; V520-I524 HydrophobicContact CG1-CD1 3.93Å; V520-I524 PolarHBondContact O-N 3.01Å; V520-I524 VanDerWaalsContact O-N 3.16Å; V520-F540 HydrophobicContact CB-CE1 4.24Å; V520-F540 HydrophobicContact CG2-CD1 4.13Å; V520-F540 HydrophobicContact CG2-CD2 4.46Å; V520-F540 HydrophobicContact CG2-CE1 3.61Å; V520-F540 HydrophobicContact CG2-CE2 3.92Å; V520-F540 HydrophobicContact CG2-CZ 3.45Å; V520-F540 VanDerWaalsContact CG2-CZ 3.45Å; V520-F541 HydrophobicContact CG1-CB 4.17Å; V520-F541 HydrophobicContact CG1-CD2 3.6Å; V520-F541 HydrophobicContact CG1-CE2 4.49Å; V520-F541 HydrophobicContact CG1-CG 4.34Å; V520-S566 VanDerWaalsContact CG2-CB 3.46Å; V520-A692 HydrophobicContact CG1-CB 4.04Å
521	L	92.4	Very high	91.2	Very high	7 Å²	7	36.9 Å²	36.9	4%	0.037	20%	0.198	C	C	.	.	H	α-helix	trans	-61.1	-42	177.4	179.3	63.3	0	0	0	112.1	T519 I524 K525 E688 Q691 A692 M695	T519-L521 PolarHBondContact O-N 2.9Å; L521-I524 PolarHBondContact O-N 3.26Å; L521-K525 HydrophobicContact CG-CD 4.27Å; L521-K525 WeakPolarHBondContact O-CG 3.44Å; L521-K525 PolarHBondContact O-N 2.57Å; L521-E688 HydrophobicContact CB-CB 3.94Å; L521-E688 HydrophobicContact CB-CG 4.43Å; L521-E688 HydrophobicContact CD2-CB 3.91Å; L521-E688 HydrophobicContact CD2-CG 3.75Å; L521-Q691 HydrophobicContact CD1-CB 3.89Å; L521-Q691 HydrophobicContact CD2-CB 4.35Å; L521-A692 HydrophobicContact CB-CB 4.22Å; L521-A692 HydrophobicContact CD1-CB 4.06Å; L521-M695 HydrophobicContact CD1-SD 3.61Å
522	K	92.1	Very high	91.4	Very high	50 Å²	50	33.3 Å²	33.3	22%	0.217	18%	0.175	C	C	.	.	H	α-helix	trans	-65.7	-42.7	-179.9	-176.8	172.3	173.8	167.3	0	112.2	D500 V518 T519 V520 I524 K525 L526	D500-K522 IonicContact OD1-NZ 2.98Å; D500-K522 PolarHBondContact OD1-NZ 3.33Å; D500-K522 IonicContact OD2-NZ 2.77Å; V518-K522 HydrophobicContact CG2-CB 3.97Å; V518-K522 HydrophobicContact CG2-CD 4.02Å; V518-K522 HydrophobicContact CG2-CG 3.85Å; T519-K522 PolarHBondContact O-N 2.88Å; T519-K522 WeakPolarHBondContact OG1-CB 3.33Å; T519-K522 PolarHBondContact OG1-N 3.41Å; V520-K522 VanDerWaalsContact C-N 3.33Å; V520-K522 PolarHBondContact O-N 3.24Å; K522-I524 VanDerWaalsContact C-N 3.29Å; K522-I524 PolarHBondContact O-N 3.02Å; K522-K525 PolarHBondContact O-N 2.68Å; K522-L526 HydrophobicContact CG-CD1 4.33Å; K522-L526 VanDerWaalsContact O-CG 3.31Å; K522-L526 WeakPolarHBondContact O-CG 3.36Å; K522-L526 PolarHBondContact O-N 3.05Å
523	A	93.9	Very high	91.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.7	-40.4	173.1	0	0	0	0	0	111.9	L491 V518 T519 V520 G527 A537 F540	L491-A523 HydrophobicContact CD2-CB 4.37Å; V518-A523 HydrophobicContact CG2-CB 4.14Å; T519-A523 PolarHBondContact O-N 3.44Å; V520-A523 PolarHBondContact O-N 3.16Å; A523-G527 PolarHBondContact O-N 2.88Å; A523-A537 HydrophobicContact CB-CB 4.2Å; A523-A537 VanDerWaalsContact O-CB 3.22Å; A523-A537 WeakPolarHBondContact O-CB 3.28Å; A523-F540 HydrophobicContact CB-CD1 3.97Å; A523-F540 HydrophobicContact CB-CE1 4.47Å
524	I	92.9	Very high	91.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-73.3	-37.1	-179.2	-73.4	159.1	0	0	0	112.3	V520 L521 K522 G527 Q528 A537 F541 A692 M695 L696 F699	V520-I524 HydrophobicContact CG1-CD1 3.93Å; V520-I524 PolarHBondContact O-N 3.01Å; V520-I524 VanDerWaalsContact O-N 3.16Å; L521-I524 PolarHBondContact O-N 3.26Å; K522-I524 VanDerWaalsContact C-N 3.29Å; K522-I524 PolarHBondContact O-N 3.02Å; I524-G527 WeakPolarHBondContact O-CA 3.38Å; I524-G527 PolarHBondContact O-N 3.47Å; I524-Q528 PolarHBondContact O-N 3.01Å; I524-A537 HydrophobicContact CG1-CB 4.04Å; I524-F541 HydrophobicContact CD1-CB 4.29Å; I524-F541 HydrophobicContact CD1-CD2 4.32Å; I524-A692 HydrophobicContact CD1-CB 3.84Å; I524-M695 HydrophobicContact CG2-CB 3.98Å; I524-M695 HydrophobicContact CG2-CE 4.08Å; I524-M695 HydrophobicContact CG2-SD 4.23Å; I524-L696 HydrophobicContact CD1-CD1 3.71Å; I524-L696 HydrophobicContact CD1-CD2 4.27Å; I524-L696 HydrophobicContact CD1-CG 3.89Å; I524-L696 HydrophobicContact CG1-CD2 4.37Å; I524-L696 HydrophobicContact CG1-CG 4.47Å; I524-F699 HydrophobicContact CG2-CE2 4.05Å
525	K	89.6	Confident	91	Very high	86 Å²	86	45.5 Å²	45.5	37%	0.374	24%	0.235	S	C	.	.	H	α-helix	trans	-60.6	-49.4	169.7	-75.2	176.1	177.4	176.9	0	111.9	L521 K522 G527 Q528 E529 M695	L521-K525 HydrophobicContact CG-CD 4.27Å; L521-K525 WeakPolarHBondContact O-CG 3.44Å; L521-K525 PolarHBondContact O-N 2.57Å; K522-K525 PolarHBondContact O-N 2.68Å; K525-G527 PolarHBondContact O-N 2.83Å; K525-Q528 WeakPolarHBondContact O-CB 3.41Å; K525-Q528 PolarHBondContact O-N 3.11Å; K525-E529 WeakPolarHBondContact O-CG 3.31Å; K525-E529 PolarHBondContact O-N 3.18Å; K525-M695 HydrophobicContact CG-CE 3.71Å; K525-M695 HydrophobicContact CG-SD 4.15Å
526	L	89.1	Confident	91	Very high	33 Å²	33	45.3 Å²	45.3	17%	0.173	24%	0.235	C	C	.	.	H	α-helix	trans	-61.6	-27.8	174.5	-66.5	169.9	0	0	0	112.6	A495 K522 G530 K531 V532	A495-L526 HydrophobicContact CB-CD1 3.69Å; K522-L526 HydrophobicContact CG-CD1 4.33Å; K522-L526 VanDerWaalsContact O-CG 3.31Å; K522-L526 WeakPolarHBondContact O-CG 3.36Å; K522-L526 PolarHBondContact O-N 3.05Å; L526-G530 PolarHBondContact O-N 3.13Å; L526-K531 HydrophobicContact CB-CB 4.44Å; L526-K531 HydrophobicContact CD2-CB 4.26Å; L526-K531 HydrophobicContact CD2-CD 3.65Å; L526-K531 PolarHBondContact O-N 3.02Å; L526-V532 HydrophobicContact CB-CG2 3.88Å; L526-V532 PolarHBondContact O-N 2.93Å
527	G	89.4	Confident	90.9	Very high	7 Å²	7	44.5 Å²	44.5	7%	0.072	23%	0.231	C	C	.	.	H	α-helix	trans	-69.9	-40.9	171.4	0	0	0	0	0	113.7	A523 I524 K525 G530 V532	A523-G527 PolarHBondContact O-N 2.88Å; I524-G527 WeakPolarHBondContact O-CA 3.38Å; I524-G527 PolarHBondContact O-N 3.47Å; K525-G527 PolarHBondContact O-N 2.83Å; G527-G530 PolarHBondContact O-N 2.99Å; G527-V532 WeakPolarHBondContact CA-O 3.43Å
528	Q	85.1	Confident	90.9	Very high	109 Å²	109	49.1 Å²	49.1	51%	0.509	25%	0.249	S	C	.	.	H	α-helix	trans	-66	-39.7	173.5	-175.9	-177.1	-2.3	0	0	111.7	I524 K525 G530 F699	I524-Q528 PolarHBondContact O-N 3.01Å; K525-Q528 WeakPolarHBondContact O-CB 3.41Å; K525-Q528 PolarHBondContact O-N 3.11Å; Q528-G530 PolarHBondContact O-N 3.12Å; Q528-F699 HydrophobicContact CB-CE1 4.47Å; Q528-F699 HydrophobicContact CB-CE2 4.38Å; Q528-F699 HydrophobicContact CB-CZ 3.74Å; Q528-F699 HydrophobicContact CG-CE1 3.98Å; Q528-F699 HydrophobicContact CG-CZ 3.68Å
529	E	85.9	Confident	90.9	Very high	104 Å²	104	50.9 Å²	50.9	49%	0.486	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-1.7	176.3	-66.3	167.2	-144	0	0	113.4	K525 K531	K525-E529 WeakPolarHBondContact O-CG 3.31Å; K525-E529 PolarHBondContact O-N 3.18Å; E529-K531 HydrophobicContact CB-CD 4.15Å; E529-K531 HydrophobicContact CB-CG 4.18Å; E529-K531 PolarHBondContact O-N 3.34Å; E529-K531 WeakPolarHBondContact OE2-CD 3.39Å; E529-K531 WeakPolarHBondContact OE2-CE 3.36Å; E529-K531 IonicContact OE2-NZ 2.74Å; E529-K531 PolarHBondContact OE2-NZ 3.22Å
530	G	85.6	Confident	91	Very high	63 Å²	63	50.4 Å²	50.4	65%	0.649	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	6.9	-178.7	0	0	0	0	0	115.2	L526 G527 Q528	L526-G530 PolarHBondContact O-N 3.13Å; G527-G530 PolarHBondContact O-N 2.99Å; Q528-G530 PolarHBondContact O-N 3.12Å
531	K	87.4	Confident	91.1	Very high	141 Å²	141	50.6 Å²	50.6	61%	0.613	26%	0.255	S	S	*	.	S	Bend	trans	-73.4	-27.8	-179.8	-68.7	173.1	-178.8	166.9	0	112.4	L526 E529	L526-K531 HydrophobicContact CB-CB 4.44Å; L526-K531 HydrophobicContact CD2-CB 4.26Å; L526-K531 HydrophobicContact CD2-CD 3.65Å; L526-K531 PolarHBondContact O-N 3.02Å; E529-K531 HydrophobicContact CB-CD 4.15Å; E529-K531 HydrophobicContact CB-CG 4.18Å; E529-K531 PolarHBondContact O-N 3.34Å; E529-K531 WeakPolarHBondContact OE2-CD 3.39Å; E529-K531 WeakPolarHBondContact OE2-CE 3.36Å; E529-K531 IonicContact OE2-NZ 2.74Å; E529-K531 PolarHBondContact OE2-NZ 3.22Å
532	V	92.2	Very high	91.2	Very high	10 Å²	10	53.8 Å²	53.8	6%	0.061	27%	0.272	C	S	.	.	S	Bend	trans	-132.1	160.7	167	-62.5	0	0	0	0	110	L491 A494 A495 L526 G527 L534	L491-V532 HydrophobicContact CD1-CB 4.05Å; L491-V532 HydrophobicContact CD1-CG1 4.32Å; L491-V532 HydrophobicContact CD1-CG2 3.81Å; A494-V532 HydrophobicContact CB-CG1 3.82Å; A495-V532 HydrophobicContact CB-CG1 4.13Å; L526-V532 HydrophobicContact CB-CG2 3.88Å; L526-V532 PolarHBondContact O-N 2.93Å; G527-V532 WeakPolarHBondContact CA-O 3.43Å; V532-L534 PolarHBondContact O-N 2.98Å
533	P	91.6	Very high	91.4	Very high	78 Å²	78	52.3 Å²	52.3	51%	0.506	27%	0.267	S	S	.	.			trans	-66.5	122	176.7	-15.9	29.6	0	0	0	110.5	K535 S536 A537	P533-K535 PolarHBondContact O-N 3.2Å; P533-K535 VanDerWaalsContact O-N 3.08Å; P533-S536 WeakPolarHBondContact O-CB 3.32Å; P533-S536 PolarHBondContact O-N 2.72Å; P533-A537 PolarHBondContact O-N 3.39Å
534	L	89.1	Confident	91.6	Very high	60 Å²	60	52.3 Å²	52.3	31%	0.314	27%	0.267	S	S	.	.	H	α-helix	trans	-55.4	-29.6	178.2	-177.5	61.9	0	0	0	112.8	V532 S536 A537 R538 F699	V532-L534 PolarHBondContact O-N 2.98Å; L534-S536 PolarHBondContact O-N 3.24Å; L534-A537 PolarHBondContact O-N 3.48Å; L534-R538 WeakPolarHBondContact O-CB 3.47Å; L534-R538 PolarHBondContact O-N 3.06Å; L534-F699 HydrophobicContact CD1-CD2 4Å; L534-F699 HydrophobicContact CD1-CE2 4.02Å; L534-F699 HydrophobicContact CD2-CB 4.39Å; L534-F699 HydrophobicContact CD2-CD2 3.88Å; L534-F699 HydrophobicContact CD2-CE2 4.41Å; L534-F699 HydrophobicContact CD2-CG 4.14Å
535	K	89.8	Confident	91.7	Very high	169 Å²	169	53.8 Å²	53.8	74%	0.735	27%	0.274	S	S	*	.	H	α-helix	trans	-60	-42.1	172.6	-173.6	-175.5	176.6	-170.7	0	112.3	P533 R538 M539	P533-K535 PolarHBondContact O-N 3.2Å; P533-K535 VanDerWaalsContact O-N 3.08Å; K535-R538 PolarHBondContact O-N 3.25Å; K535-M539 WeakPolarHBondContact O-CB 3.43Å; K535-M539 PolarHBondContact O-N 3.36Å
536	S	93.1	Very high	92	Very high	5 Å²	5	51.7 Å²	51.7	4%	0.035	27%	0.265	C	S	.	.	H	α-helix	trans	-73.5	-38.7	-178.9	-42.4	0	0	0	0	110.5	E487 P533 L534 M539 F540	E487-S536 WeakPolarHBondContact OE1-CB 3.5Å; E487-S536 PolarHBondContact OE1-OG 3.16Å; P533-S536 WeakPolarHBondContact O-CB 3.32Å; P533-S536 PolarHBondContact O-N 2.72Å; L534-S536 PolarHBondContact O-N 3.24Å; S536-M539 WeakPolarHBondContact O-CB 3.48Å; S536-M539 PolarHBondContact O-N 2.9Å; S536-F540 PolarHBondContact O-N 2.91Å; S536-F540 VanDerWaalsContact O-N 3.12Å
537	A	92.3	Very high	92.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.1	-42	171.2	0	0	0	0	0	112.8	A523 I524 P533 L534 F540 F541	A523-A537 HydrophobicContact CB-CB 4.2Å; A523-A537 VanDerWaalsContact O-CB 3.22Å; A523-A537 WeakPolarHBondContact O-CB 3.28Å; I524-A537 HydrophobicContact CG1-CB 4.04Å; P533-A537 PolarHBondContact O-N 3.39Å; L534-A537 PolarHBondContact O-N 3.48Å; A537-F540 PolarHBondContact O-N 3.43Å; A537-F541 PolarHBondContact O-N 3.25Å
538	R	94.1	Very high	92.6	Very high	96 Å²	96	52 Å²	52	36%	0.362	26%	0.261	S	S	.	.	H	α-helix	trans	-65	-40.8	173.1	-176.8	175.7	-175.5	139	9.1	112.2	L534 K535 F540 F541 D542 L696 S700	L534-R538 WeakPolarHBondContact O-CB 3.47Å; L534-R538 PolarHBondContact O-N 3.06Å; K535-R538 PolarHBondContact O-N 3.25Å; R538-F540 VanDerWaalsContact C-N 3.27Å; R538-F540 PolarHBondContact O-N 2.98Å; R538-F541 WeakPolarHBondContact O-CB 3.4Å; R538-F541 PolarHBondContact O-N 2.86Å; R538-D542 WeakPolarHBondContact CG-OD2 3.44Å; R538-D542 IonicContact NE-OD2 3.72Å; R538-D542 PolarHBondContact O-N 3.48Å; R538-L696 HydrophobicContact CB-CD2 3.89Å; R538-L696 HydrophobicContact CG-CD1 4.37Å; R538-L696 HydrophobicContact CG-CD2 3.87Å; R538-S700 PolarHBondContact NH1-OG 2.83Å
539	M	94.7	Very high	93.1	Very high	38 Å²	38	50.8 Å²	50.8	19%	0.187	25%	0.254	C	S	.	.	H	α-helix	trans	-56.9	-39.3	174.8	174.2	-173.8	-82.3	0	0	111.9	D484 E487 L488 K535 S536 F541 D542 L543	D484-M539 HydrophobicContact CB-SD 4.46Å; D484-M539 WeakPolarHBondContact OD1-CE 3.25Å; E487-M539 HydrophobicContact CB-SD 3.92Å; E487-M539 HydrophobicContact CG-SD 4.04Å; L488-M539 HydrophobicContact CD2-CG 4.41Å; K535-M539 WeakPolarHBondContact O-CB 3.43Å; K535-M539 PolarHBondContact O-N 3.36Å; S536-M539 WeakPolarHBondContact O-CB 3.48Å; S536-M539 PolarHBondContact O-N 2.9Å; M539-F541 PolarHBondContact O-N 3.16Å; M539-D542 PolarHBondContact O-N 2.74Å; M539-L543 HydrophobicContact CG-CD1 3.48Å; M539-L543 VanDerWaalsContact CG-CD1 3.48Å; M539-L543 HydrophobicContact CG-CG 3.99Å; M539-L543 VanDerWaalsContact O-CB 3.3Å; M539-L543 WeakPolarHBondContact O-CB 3.27Å; M539-L543 WeakPolarHBondContact O-CG 3.46Å; M539-L543 PolarHBondContact O-N 3.26Å; M539-L543 HydrophobicContact SD-CD1 4.22Å
540	F	96.6	Very high	93.4	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-61.2	-42	173.9	175.9	-152.6	0	0	0	112.4	L488 L491 V520 A523 S536 A537 R538 S544 L568 V674	L488-F540 HydrophobicContact CD2-CB 3.73Å; L488-F540 HydrophobicContact CD2-CG 4.45Å; L491-F540 HydrophobicContact CD2-CB 3.76Å; L491-F540 HydrophobicContact CD2-CD1 4.2Å; L491-F540 HydrophobicContact CD2-CG 4.31Å; V520-F540 HydrophobicContact CB-CE1 4.24Å; V520-F540 HydrophobicContact CG2-CD1 4.13Å; V520-F540 HydrophobicContact CG2-CD2 4.46Å; V520-F540 HydrophobicContact CG2-CE1 3.61Å; V520-F540 HydrophobicContact CG2-CE2 3.92Å; V520-F540 HydrophobicContact CG2-CZ 3.45Å; V520-F540 VanDerWaalsContact CG2-CZ 3.45Å; A523-F540 HydrophobicContact CB-CD1 3.97Å; A523-F540 HydrophobicContact CB-CE1 4.47Å; S536-F540 PolarHBondContact O-N 2.91Å; S536-F540 VanDerWaalsContact O-N 3.12Å; A537-F540 PolarHBondContact O-N 3.43Å; R538-F540 VanDerWaalsContact C-N 3.27Å; R538-F540 PolarHBondContact O-N 2.98Å; F540-S544 WeakPolarHBondContact O-CB 3.48Å; F540-S544 PolarHBondContact O-N 3.02Å; F540-S544 PolarHBondContact O-OG 3.16Å; F540-L568 HydrophobicContact CD1-CB 4.38Å; F540-L568 HydrophobicContact CD1-CD2 4.4Å; F540-L568 HydrophobicContact CD2-CB 4.39Å; F540-L568 HydrophobicContact CE1-CB 3.76Å; F540-L568 HydrophobicContact CE2-CB 3.82Å; F540-L568 HydrophobicContact CZ-CB 3.46Å; F540-L568 VanDerWaalsContact CZ-CB 3.46Å; F540-V674 HydrophobicContact CD2-CG1 4.48Å; F540-V674 HydrophobicContact CD2-CG2 4.13Å; F540-V674 HydrophobicContact CE2-CG1 3.77Å; F540-V674 HydrophobicContact CE2-CG2 3.93Å
541	F	96	Very high	93.8	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-53.2	173.2	-174	-76.9	0	0	0	111.9	V520 I524 A537 R538 M539 L543 S544 E545 R689 Q693 L696	V520-F541 HydrophobicContact CG1-CB 4.17Å; V520-F541 HydrophobicContact CG1-CD2 3.6Å; V520-F541 HydrophobicContact CG1-CE2 4.49Å; V520-F541 HydrophobicContact CG1-CG 4.34Å; I524-F541 HydrophobicContact CD1-CB 4.29Å; I524-F541 HydrophobicContact CD1-CD2 4.32Å; A537-F541 PolarHBondContact O-N 3.25Å; R538-F541 WeakPolarHBondContact O-CB 3.4Å; R538-F541 PolarHBondContact O-N 2.86Å; M539-F541 PolarHBondContact O-N 3.16Å; F541-L543 PolarHBondContact O-N 2.65Å; F541-S544 WeakPolarHBondContact O-CB 3.49Å; F541-S544 PolarHBondContact O-N 3.16Å; F541-E545 HydrophobicContact CD1-CG 4.18Å; F541-E545 HydrophobicContact CE1-CG 3.77Å; F541-E545 PolarHBondContact O-N 3.22Å; F541-E545 VanDerWaalsContact O-N 3.1Å; F541-R689 HydrophobicContact CE2-CG 3.83Å; F541-R689 PolarHBondContact O-NH2 3.49Å; F541-Q693 HydrophobicContact CE2-CB 3.97Å; F541-Q693 HydrophobicContact CZ-CB 3.9Å; F541-Q693 HydrophobicContact CZ-CG 4.25Å; F541-L696 HydrophobicContact CB-CD1 3.84Å; F541-L696 HydrophobicContact CD1-CD1 4.02Å; F541-L696 HydrophobicContact CD2-CD1 3.85Å; F541-L696 HydrophobicContact CE2-CD1 4.47Å; F541-L696 HydrophobicContact CG-CD1 3.63Å
542	D	95.4	Very high	94.1	Very high	73 Å²	73	37.7 Å²	37.7	39%	0.39	18%	0.178	S	C	.	.	H	α-helix	trans	-66.3	-37.5	-173.1	-71.2	-22.6	0	0	0	112.5	R538 M539 E545 K546	R538-D542 WeakPolarHBondContact CG-OD2 3.44Å; R538-D542 IonicContact NE-OD2 3.72Å; R538-D542 PolarHBondContact O-N 3.48Å; M539-D542 PolarHBondContact O-N 2.74Å; D542-E545 WeakPolarHBondContact O-CB 3.41Å; D542-E545 PolarHBondContact O-N 3.12Å; D542-K546 PolarHBondContact O-N 3.46Å
543	L	96.1	Very high	94	Very high	19 Å²	19	38.6 Å²	38.6	10%	0.099	19%	0.185	C	C	.	.	H	α-helix	trans	-72.8	-30.8	176.1	-65.4	178.4	0	0	0	112.1	I480 D484 L488 M539 F541 K546 V547	I480-L543 HydrophobicContact CD1-CD1 4.39Å; I480-L543 HydrophobicContact CG2-CB 4.49Å; I480-L543 HydrophobicContact CG2-CD1 4.2Å; I480-L543 HydrophobicContact CG2-CD2 3.8Å; I480-L543 HydrophobicContact CG2-CG 4.38Å; D484-L543 HydrophobicContact CB-CD1 3.85Å; L488-L543 HydrophobicContact CD1-CD1 3.86Å; L488-L543 HydrophobicContact CG-CD1 4.32Å; M539-L543 HydrophobicContact CG-CD1 3.48Å; M539-L543 VanDerWaalsContact CG-CD1 3.48Å; M539-L543 HydrophobicContact CG-CG 3.99Å; M539-L543 VanDerWaalsContact O-CB 3.3Å; M539-L543 WeakPolarHBondContact O-CB 3.27Å; M539-L543 WeakPolarHBondContact O-CG 3.46Å; M539-L543 PolarHBondContact O-N 3.26Å; M539-L543 HydrophobicContact SD-CD1 4.22Å; F541-L543 PolarHBondContact O-N 2.65Å; L543-K546 WeakPolarHBondContact O-CB 3.4Å; L543-K546 PolarHBondContact O-N 3.34Å; L543-V547 WeakPolarHBondContact O-CG2 3.3Å; L543-V547 PolarHBondContact O-N 2.93Å; L543-V547 VanDerWaalsContact O-N 3.08Å
544	S	96.7	Very high	93.9	Very high	1 Å²	1	35 Å²	35	1%	0.007	16%	0.162	C	C	.	.	H	α-helix	trans	-64.4	-42.7	170.9	-55.9	0	0	0	0	111.2	F540 F541 K546 V547 R548	F540-S544 WeakPolarHBondContact O-CB 3.48Å; F540-S544 PolarHBondContact O-N 3.02Å; F540-S544 PolarHBondContact O-OG 3.16Å; F541-S544 WeakPolarHBondContact O-CB 3.49Å; F541-S544 PolarHBondContact O-N 3.16Å; S544-K546 VanDerWaalsContact C-N 3.29Å; S544-K546 PolarHBondContact O-N 3.08Å; S544-V547 PolarHBondContact O-N 3.09Å; S544-R548 PolarHBondContact O-N 3.32Å; S544-R548 VanDerWaalsContact O-N 3.09Å
545	E	95.9	Very high	94	Very high	30 Å²	30	32.8 Å²	32.8	14%	0.14	15%	0.15	C	C	.	.	H	α-helix	trans	-59.7	-37.2	171.6	-75	-55.5	130.4	0	0	112.8	F541 D542 R548 K549 F563 R689	F541-E545 HydrophobicContact CD1-CG 4.18Å; F541-E545 HydrophobicContact CE1-CG 3.77Å; F541-E545 PolarHBondContact O-N 3.22Å; F541-E545 VanDerWaalsContact O-N 3.1Å; D542-E545 WeakPolarHBondContact O-CB 3.41Å; D542-E545 PolarHBondContact O-N 3.12Å; E545-R548 PolarHBondContact O-N 2.96Å; E545-R548 IonicContact OE2-CZ 3.75Å; E545-R548 VanDerWaalsContact OE2-CZ 3.29Å; E545-R548 IonicContact OE2-NE 2.86Å; E545-R548 PolarHBondContact OE2-NE 3.28Å; E545-R548 IonicContact OE2-NH2 2.79Å; E545-R548 PolarHBondContact OE2-NH2 2.95Å; E545-K549 WeakPolarHBondContact O-CG 3.22Å; E545-K549 PolarHBondContact O-N 3.08Å; E545-F563 WeakPolarHBondContact OE1-CE2 3.49Å; E545-R689 IonicContact OE1-CZ 3.3Å; E545-R689 IonicContact OE1-NE 2.69Å; E545-R689 PolarHBondContact OE1-NE 2.95Å; E545-R689 IonicContact OE1-NH2 3.94Å; E545-R689 PolarHBondContact OE1-NH2 2.89Å
546	K	95.4	Very high	93.9	Very high	43 Å²	43	30.7 Å²	30.7	19%	0.187	14%	0.137	C	C	.	.	H	α-helix	trans	-63	-46	176.7	-165.7	-175.5	-175.8	-173	0	111.1	F456 V479 D542 L543 S544 K549 V550	F456-K546 HydrophobicContact CE2-CG 4.3Å; F456-K546 HydrophobicContact CZ-CG 4.16Å; V479-K546 WeakPolarHBondContact O-CE 3.39Å; V479-K546 PolarHBondContact O-NZ 3.38Å; D542-K546 PolarHBondContact O-N 3.46Å; L543-K546 WeakPolarHBondContact O-CB 3.4Å; L543-K546 PolarHBondContact O-N 3.34Å; S544-K546 VanDerWaalsContact C-N 3.29Å; S544-K546 PolarHBondContact O-N 3.08Å; K546-K549 PolarHBondContact O-N 3.35Å; K546-V550 VanDerWaalsContact O-CG2 3.24Å; K546-V550 WeakPolarHBondContact O-CG2 3.38Å; K546-V550 PolarHBondContact O-N 3.37Å; K546-V550 VanDerWaalsContact O-N 3.15Å
547	V	96.5	Very high	93.6	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-61.6	-44.6	177.8	175.8	0	0	0	0	111.4	V479 L543 S544 K549 V550 L551 A616 L618 V650 L676	V479-V547 HydrophobicContact CG1-CG2 4.21Å; L543-V547 WeakPolarHBondContact O-CG2 3.3Å; L543-V547 PolarHBondContact O-N 2.93Å; L543-V547 VanDerWaalsContact O-N 3.08Å; S544-V547 PolarHBondContact O-N 3.09Å; V547-K549 PolarHBondContact O-N 3.26Å; V547-V550 PolarHBondContact O-N 2.98Å; V547-L551 HydrophobicContact CG1-CD1 3.94Å; V547-L551 WeakPolarHBondContact O-CD1 3.45Å; V547-L551 PolarHBondContact O-N 3.19Å; V547-L551 VanDerWaalsContact O-N 3.08Å; V547-A616 HydrophobicContact CG1-CB 3.7Å; V547-L618 HydrophobicContact CG2-CB 4.35Å; V547-L618 HydrophobicContact CG2-CD2 3.95Å; V547-V650 HydrophobicContact CG1-CG1 4.08Å; V547-V650 HydrophobicContact CG2-CG2 4.13Å; V547-L676 HydrophobicContact CB-CD1 3.82Å; V547-L676 HydrophobicContact CG1-CD1 3.79Å; V547-L676 HydrophobicContact CG2-CD1 4.45Å
548	R	95.9	Very high	93.1	Very high	44 Å²	44	40.5 Å²	40.5	17%	0.166	19%	0.189	C	C	.	.	H	α-helix	trans	-52.7	-56.5	175.6	-179.1	-174.2	58.1	94.8	-10.7	112	S544 E545 V550 L551 E552 L561 F563 F678	S544-R548 PolarHBondContact O-N 3.32Å; S544-R548 VanDerWaalsContact O-N 3.09Å; E545-R548 PolarHBondContact O-N 2.96Å; E545-R548 IonicContact OE2-CZ 3.75Å; E545-R548 VanDerWaalsContact OE2-CZ 3.29Å; E545-R548 IonicContact OE2-NE 2.86Å; E545-R548 PolarHBondContact OE2-NE 3.28Å; E545-R548 IonicContact OE2-NH2 2.79Å; E545-R548 PolarHBondContact OE2-NH2 2.95Å; R548-V550 PolarHBondContact O-N 3.15Å; R548-L551 PolarHBondContact O-N 2.97Å; R548-L551 VanDerWaalsContact O-N 3.08Å; R548-E552 HydrophobicContact CG-CG 4.42Å; R548-E552 IonicContact CZ-OE1 2.79Å; R548-E552 IonicContact CZ-OE2 3.16Å; R548-E552 IonicContact NH1-OE1 3.91Å; R548-E552 PolarHBondContact NH1-OE1 3.11Å; R548-E552 IonicContact NH1-OE2 2.59Å; R548-E552 PolarHBondContact NH1-OE2 3.15Å; R548-E552 WeakPolarHBondContact O-CG 3.37Å; R548-E552 PolarHBondContact O-N 3.24Å; R548-L561 WeakPolarHBondContact CD-O 3.32Å; R548-L561 HydrophobicContact CG-CB 3.95Å; R548-F563 HydrophobicContact CB-CE2 4.12Å; R548-F563 HydrophobicContact CB-CZ 3.83Å; R548-F563 HydrophobicContact CG-CE2 4.29Å; R548-F563 HydrophobicContact CG-CZ 4.45Å; R548-F678 HydrophobicContact CB-CE1 3.82Å; R548-F678 HydrophobicContact CB-CZ 4.07Å; R548-F678 HydrophobicContact CG-CD1 4.43Å; R548-F678 HydrophobicContact CG-CE1 3.86Å; R548-F678 HydrophobicContact CG-CZ 4.47Å
549	K	94.1	Very high	92.7	Very high	84 Å²	84	39 Å²	39	37%	0.365	19%	0.191	S	C	.	.	H	α-helix	trans	-61.5	-31.2	-176.8	-68.7	165.9	-174.1	169.9	0	112.8	L455 E545 K546 V547 S553	L455-K549 HydrophobicContact CD1-CB 4.48Å; E545-K549 WeakPolarHBondContact O-CG 3.22Å; E545-K549 PolarHBondContact O-N 3.08Å; K546-K549 PolarHBondContact O-N 3.35Å; V547-K549 PolarHBondContact O-N 3.26Å; K549-S553 PolarHBondContact O-N 2.99Å
550	V	93.5	Very high	92.5	Very high	1 Å²	1	40 Å²	40	1%	0.006	20%	0.2	C	C	.	.	H	α-helix	trans	-69.3	-43.3	174.9	169.2	0	0	0	0	111.6	V454 F456 I459 L476 K546 V547 R548 Y554	V454-V550 HydrophobicContact CG1-CG1 3.92Å; V454-V550 HydrophobicContact CG1-CG2 4.16Å; F456-V550 HydrophobicContact CD2-CG2 3.63Å; F456-V550 HydrophobicContact CE2-CG2 3.71Å; I459-V550 HydrophobicContact CD1-CG1 4.49Å; I459-V550 HydrophobicContact CD1-CG2 3.5Å; I459-V550 VanDerWaalsContact CD1-CG2 3.5Å; L476-V550 HydrophobicContact CD1-CG1 3.48Å; L476-V550 VanDerWaalsContact CD1-CG1 3.48Å; L476-V550 HydrophobicContact CD2-CG1 4.45Å; K546-V550 VanDerWaalsContact O-CG2 3.24Å; K546-V550 WeakPolarHBondContact O-CG2 3.38Å; K546-V550 PolarHBondContact O-N 3.37Å; K546-V550 VanDerWaalsContact O-N 3.15Å; V547-V550 PolarHBondContact O-N 2.98Å; R548-V550 PolarHBondContact O-N 3.15Å; V550-Y554 WeakPolarHBondContact O-CB 3.1Å; V550-Y554 PolarHBondContact O-N 3.2Å
551	L	93.5	Very high	92.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.7	-45.3	176	-94.7	74.6	0	0	0	112	V547 R548 S553 Y554 F555 L561 A616 V650 F678	V547-L551 HydrophobicContact CG1-CD1 3.94Å; V547-L551 WeakPolarHBondContact O-CD1 3.45Å; V547-L551 PolarHBondContact O-N 3.19Å; V547-L551 VanDerWaalsContact O-N 3.08Å; R548-L551 PolarHBondContact O-N 2.97Å; R548-L551 VanDerWaalsContact O-N 3.08Å; L551-S553 VanDerWaalsContact C-N 3.27Å; L551-S553 PolarHBondContact O-N 3.4Å; L551-Y554 PolarHBondContact O-N 2.79Å; L551-F555 HydrophobicContact CB-CD2 4.24Å; L551-F555 HydrophobicContact CB-CE2 4.44Å; L551-F555 HydrophobicContact CD2-CE2 4.05Å; L551-F555 HydrophobicContact CG-CD2 4.23Å; L551-F555 HydrophobicContact CG-CE2 3.93Å; L551-F555 WeakPolarHBondContact O-CD2 3.21Å; L551-F555 PolarHBondContact O-N 3.41Å; L551-L561 HydrophobicContact CB-CD1 4.07Å; L551-A616 HydrophobicContact CD1-CB 4.1Å; L551-A616 HydrophobicContact CD2-CB 3.88Å; L551-V650 HydrophobicContact CD1-CG1 4.33Å; L551-F678 HydrophobicContact CD2-CD2 4.5Å; L551-F678 HydrophobicContact CD2-CE2 4.2Å
552	E	92.8	Very high	92.4	Very high	32 Å²	32	42.9 Å²	42.9	15%	0.15	21%	0.211	C	C	.	.	H	α-helix	trans	-53	-45.4	176.7	-72.6	169.8	165	0	0	111.7	R548 R556 L557 L561	R548-E552 HydrophobicContact CG-CG 4.42Å; R548-E552 IonicContact CZ-OE1 2.79Å; R548-E552 IonicContact CZ-OE2 3.16Å; R548-E552 IonicContact NH1-OE1 3.91Å; R548-E552 PolarHBondContact NH1-OE1 3.11Å; R548-E552 IonicContact NH1-OE2 2.59Å; R548-E552 PolarHBondContact NH1-OE2 3.15Å; R548-E552 WeakPolarHBondContact O-CG 3.37Å; R548-E552 PolarHBondContact O-N 3.24Å; E552-R556 WeakPolarHBondContact O-CA 3.35Å; E552-R556 PolarHBondContact O-N 3.1Å; E552-L557 PolarHBondContact O-N 2.94Å; E552-L561 HydrophobicContact CG-CB 4.22Å; E552-L561 HydrophobicContact CG-CD1 3.99Å; E552-L561 HydrophobicContact CG-CG 3.89Å; E552-L561 PolarHBondContact OE1-N 2.86Å
553	S	90.5	Very high	92.5	Very high	29 Å²	29	39.5 Å²	39.5	20%	0.203	19%	0.193	C	C	.	.	H	α-helix	trans	-71.9	-42.5	179.4	-163.3	0	0	0	0	113.3	G452 A453 L455 K549 L551 R556	G452-S553 WeakPolarHBondContact CA-O 3.44Å; A453-S553 PolarHBondContact O-OG 3.45Å; L455-S553 WeakPolarHBondContact CG-OG 3.36Å; K549-S553 PolarHBondContact O-N 2.99Å; L551-S553 VanDerWaalsContact C-N 3.27Å; L551-S553 PolarHBondContact O-N 3.4Å; S553-R556 PolarHBondContact O-N 2.89Å
554	Y	90.7	Very high	92.3	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.016	20%	0.195	C	C	.	.	H	α-helix	trans	-67.8	-42.9	-179.1	176.6	-90.8	0	0	0	112.3	G451 G452 V461 V474 V550 L551 R556	G451-Y554 PolarHBondContact N-O 2.89Å; G452-Y554 PolarHBondContact N-O 2.87Å; V461-Y554 HydrophobicContact CG1-CE2 4.01Å; V461-Y554 HydrophobicContact CG2-CD2 4.18Å; V461-Y554 HydrophobicContact CG2-CE2 4.23Å; V474-Y554 HydrophobicContact CB-CD1 3.84Å; V474-Y554 HydrophobicContact CB-CE1 3.48Å; V474-Y554 VanDerWaalsContact CB-CE1 3.48Å; V474-Y554 HydrophobicContact CB-CE2 4.36Å; V474-Y554 HydrophobicContact CB-CG 4.45Å; V474-Y554 HydrophobicContact CG1-CD1 3.98Å; V474-Y554 HydrophobicContact CG1-CE1 4.12Å; V474-Y554 HydrophobicContact CG2-CD1 3.97Å; V474-Y554 HydrophobicContact CG2-CD2 3.94Å; V474-Y554 HydrophobicContact CG2-CE1 3.65Å; V474-Y554 HydrophobicContact CG2-CE2 3.58Å; V474-Y554 HydrophobicContact CG2-CG 4.11Å; V474-Y554 VanDerWaalsContact CG2-CZ 3.42Å; V550-Y554 WeakPolarHBondContact O-CB 3.1Å; V550-Y554 PolarHBondContact O-N 3.2Å; L551-Y554 PolarHBondContact O-N 2.79Å; Y554-R556 VanDerWaalsContact C-N 3.29Å
555	F	89.6	Confident	92.2	Very high	13 Å²	13	42.3 Å²	42.3	6%	0.057	21%	0.206	C	C	.	.	H	α-helix	trans	-82.6	-4.6	177	-65.3	-59.4	0	0	0	113.4	H472 V474 L551 L557 Y614	H472-F555 HydrophobicContact CB-CE1 4.23Å; V474-F555 HydrophobicContact CG1-CE2 4.42Å; V474-F555 HydrophobicContact CG1-CZ 4.06Å; L551-F555 HydrophobicContact CB-CD2 4.24Å; L551-F555 HydrophobicContact CB-CE2 4.44Å; L551-F555 HydrophobicContact CD2-CE2 4.05Å; L551-F555 HydrophobicContact CG-CD2 4.23Å; L551-F555 HydrophobicContact CG-CE2 3.93Å; L551-F555 WeakPolarHBondContact O-CD2 3.21Å; L551-F555 PolarHBondContact O-N 3.41Å; F555-L557 HydrophobicContact CB-CD1 4.44Å; F555-L557 HydrophobicContact CB-CD2 3.76Å; F555-L557 HydrophobicContact CB-CG 3.92Å; F555-Y614 HydrophobicContact CB-CE1 4.36Å; F555-Y614 HydrophobicContact CD1-CE1 4.32Å; F555-Y614 AromaticContact CD2-CD1 3.9Å; F555-Y614 HydrophobicContact CD2-CD1 3.9Å; F555-Y614 AromaticContact CD2-CE1 3.8Å; F555-Y614 HydrophobicContact CD2-CE1 3.8Å; F555-Y614 AromaticContact CE2-CD1 3.95Å; F555-Y614 HydrophobicContact CE2-CD1 3.95Å; F555-Y614 HydrophobicContact CE2-CE1 4.12Å; F555-Y614 HydrophobicContact CG-CD1 4.47Å; F555-Y614 AromaticContact CG-CE1 3.92Å; F555-Y614 HydrophobicContact CG-CE1 3.92Å
556	R	88.2	Confident	92.1	Very high	124 Å²	124	40.9 Å²	40.9	47%	0.468	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	51.9	178.1	-51.3	-178.8	-172	178	3.8	112.5	Q449 G451 G452 E552 S553 Y554	Q449-R556 WeakPolarHBondContact O-CD 3.36Å; Q449-R556 VanDerWaalsContact O-CZ 3.26Å; Q449-R556 PolarHBondContact O-NE 3.34Å; Q449-R556 PolarHBondContact O-NH1 3.11Å; G451-R556 PolarHBondContact O-NH2 2.9Å; G452-R556 VanDerWaalsContact CA-NE 3.29Å; E552-R556 WeakPolarHBondContact O-CA 3.35Å; E552-R556 PolarHBondContact O-N 3.1Å; S553-R556 PolarHBondContact O-N 2.89Å; Y554-R556 VanDerWaalsContact C-N 3.29Å
557	L	87.2	Confident	92.1	Very high	39 Å²	39	39.2 Å²	39.2	20%	0.204	19%	0.192	C	C	.	.			trans	-80.8	122.8	-173.4	-54.7	-178.9	0	0	0	111.9	E552 F555 T559 L561 Y614	E552-L557 PolarHBondContact O-N 2.94Å; F555-L557 HydrophobicContact CB-CD1 4.44Å; F555-L557 HydrophobicContact CB-CD2 3.76Å; F555-L557 HydrophobicContact CB-CG 3.92Å; L557-T559 WeakPolarHBondContact CB-O 3.3Å; L557-T559 PolarHBondContact O-N 3.15Å; L557-L561 HydrophobicContact CD1-CD1 3.92Å; L557-L561 HydrophobicContact CD1-CD2 3.58Å; L557-L561 HydrophobicContact CD1-CG 3.65Å; L557-Y614 HydrophobicContact CD1-CD2 4.25Å; L557-Y614 HydrophobicContact CD1-CE2 4.02Å; L557-Y614 HydrophobicContact CD2-CE2 3.96Å
558	D	81.8	Confident	92.1	Very high	173 Å²	173	39.1 Å²	39.1	93%	0.925	19%	0.192	S	C	*	.	S	Bend	trans	-70.8	-12.7	174.6	-65.6	-51.9	0	0	0	113.4
559	T	85.1	Confident	92.1	Very high	65 Å²	65	38.1 Å²	38.1	40%	0.399	19%	0.19	S	C	.	.	S	Bend	trans	-124.2	134.8	-179.1	-60.4	0	0	0	0	108.4	L557 L680	L557-T559 WeakPolarHBondContact CB-O 3.3Å; L557-T559 PolarHBondContact O-N 3.15Å; T559-L680 HydrophobicContact CG2-CB 4.37Å; T559-L680 HydrophobicContact CG2-CD2 4.21Å
560	P	91.3	Very high	92.2	Very high	59 Å²	59	34.1 Å²	34.1	38%	0.383	17%	0.173	S	C	.	.			trans	-64.9	153.8	178.6	29.1	-36.4	0	0	0	111.7	Y562	P560-Y562 HydrophobicContact CG-CE2 4.04Å
561	L	95.4	Very high	92.3	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.021	18%	0.176	C	C	.	.			trans	-86.1	112.4	173.6	-70.3	178.7	0	0	0	109.9	R548 L551 E552 L557 Y614 F678 L680	R548-L561 WeakPolarHBondContact CD-O 3.32Å; R548-L561 HydrophobicContact CG-CB 3.95Å; L551-L561 HydrophobicContact CB-CD1 4.07Å; E552-L561 HydrophobicContact CG-CB 4.22Å; E552-L561 HydrophobicContact CG-CD1 3.99Å; E552-L561 HydrophobicContact CG-CG 3.89Å; E552-L561 PolarHBondContact OE1-N 2.86Å; L557-L561 HydrophobicContact CD1-CD1 3.92Å; L557-L561 HydrophobicContact CD1-CD2 3.58Å; L557-L561 HydrophobicContact CD1-CG 3.65Å; L561-Y614 HydrophobicContact CD2-CD2 3.62Å; L561-Y614 HydrophobicContact CD2-CE2 4.43Å; L561-Y614 HydrophobicContact CD2-CG 4.15Å; L561-F678 HydrophobicContact CB-CB 4.02Å; L561-F678 HydrophobicContact CB-CD1 3.81Å; L561-F678 HydrophobicContact CB-CG 4.05Å; L561-F678 HydrophobicContact CD1-CB 4.26Å; L561-F678 HydrophobicContact CD1-CD1 4.36Å; L561-F678 HydrophobicContact CD1-CD2 4.2Å; L561-F678 HydrophobicContact CD1-CG 4.04Å; L561-F678 HydrophobicContact CD2-CB 3.92Å; L561-F678 HydrophobicContact CG-CB 4.29Å; L561-F678 HydrophobicContact CG-CG 4.45Å; L561-L680 HydrophobicContact CD2-CD2 3.88Å
562	Y	95.8	Very high	92.4	Very high	62 Å²	62	35.8 Å²	35.8	24%	0.243	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	138.5	168.3	-57.3	-83.5	0	0	0	108.8	P560 S564 F678 T679 P682	P560-Y562 HydrophobicContact CG-CE2 4.04Å; Y562-S564 PolarHBondContact O-N 3.35Å; Y562-F678 CarbonylContact O-C 3.56Å; Y562-F678 VanDerWaalsContact O-CA 3.24Å; Y562-F678 WeakPolarHBondContact O-CA 3.18Å; Y562-T679 PolarHBondContact N-O 2.99Å; Y562-T679 PolarHBondContact O-N 3.37Å; Y562-P682 HydrophobicContact CD1-CB 4.13Å; Y562-P682 HydrophobicContact CD2-CB 4.12Å; Y562-P682 HydrophobicContact CE1-CB 3.84Å; Y562-P682 HydrophobicContact CE2-CB 3.84Å; Y562-P682 HydrophobicContact CE2-CG 4.2Å; Y562-P682 HydrophobicContact CG-CB 4.26Å
563	F	96.9	Very high	92.5	Very high	3 Å²	3	35 Å²	35	1%	0.013	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	126.5	173.9	-70.8	-101.2	0	0	0	108.4	E545 R548 S566 L676 F678 E685 E686 R689	E545-F563 WeakPolarHBondContact OE1-CE2 3.49Å; R548-F563 HydrophobicContact CB-CE2 4.12Å; R548-F563 HydrophobicContact CB-CZ 3.83Å; R548-F563 HydrophobicContact CG-CE2 4.29Å; R548-F563 HydrophobicContact CG-CZ 4.45Å; F563-S566 VanDerWaalsContact CD1-OG 3.26Å; F563-S566 WeakPolarHBondContact CD1-OG 3.46Å; F563-L676 HydrophobicContact CD1-CD2 4.38Å; F563-L676 HydrophobicContact CE1-CD1 4.22Å; F563-L676 HydrophobicContact CE1-CD2 4.04Å; F563-F678 HydrophobicContact CD1-CD1 4.22Å; F563-F678 AromaticContact CD1-CE1 3.64Å; F563-F678 HydrophobicContact CD1-CE1 3.64Å; F563-F678 HydrophobicContact CD1-CZ 4.4Å; F563-F678 HydrophobicContact CD2-CE1 4.31Å; F563-F678 AromaticContact CE1-CE1 3.51Å; F563-F678 HydrophobicContact CE1-CE1 3.51Å; F563-F678 HydrophobicContact CE1-CZ 4.03Å; F563-F678 HydrophobicContact CE2-CE1 4.21Å; F563-F678 HydrophobicContact CG-CD1 4.31Å; F563-F678 HydrophobicContact CG-CE1 4.05Å; F563-F678 AromaticContact CZ-CE1 3.82Å; F563-F678 HydrophobicContact CZ-CE1 3.82Å; F563-F678 HydrophobicContact CZ-CZ 4.48Å; F563-E685 CarbonylContact O-C 3.51Å; F563-E685 WeakPolarHBondContact O-CA 3.44Å; F563-E686 HydrophobicContact CB-CB 4.23Å; F563-E686 VanDerWaalsContact O-CB 3.31Å; F563-E686 WeakPolarHBondContact O-CB 3.46Å; F563-E686 PolarHBondContact O-N 2.88Å; F563-R689 VanDerWaalsContact CD2-CD 3.48Å; F563-R689 VanDerWaalsContact CE2-NE 3.26Å; F563-R689 VanDerWaalsContact CG-CD 3.49Å; F563-R689 VanDerWaalsContact CZ-CZ 3.49Å
564	S	92.5	Very high	92.6	Very high	20 Å²	20	35.4 Å²	35.4	14%	0.14	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-30.4	167.9	171	0	0	0	0	111.7	Y562 H611 W677	Y562-S564 PolarHBondContact O-N 3.35Å; S564-H611 PolarHBondContact OG-NE2 3.28Å; S564-W677 PolarHBondContact N-O 3.36Å
565	Y	93.6	Very high	92.4	Very high	58 Å²	58	41.3 Å²	41.3	23%	0.227	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	143.5	175.1	-171.3	-136.8	0	0	0	111.5	T519 H567 W677 E686	T519-Y565 HydrophobicContact CG2-CE2 4.03Å; Y565-H567 HydrophobicContact CD1-CB 4.4Å; Y565-H567 HydrophobicContact CE1-CB 3.85Å; Y565-H567 AromaticContact CE1-ND1 3.64Å; Y565-H567 AromaticContact CZ-ND1 3.71Å; Y565-H567 PolarHBondContact OH-ND1 3.3Å; Y565-H567 VanDerWaalsContact OH-ND1 3.14Å; Y565-W677 AromaticContact CD1-CE3 3.62Å; Y565-W677 HydrophobicContact CD1-CE3 3.62Å; Y565-W677 HydrophobicContact CD1-CH2 4.41Å; Y565-W677 AromaticContact CD1-CZ3 3.47Å; Y565-W677 HydrophobicContact CD1-CZ3 3.47Å; Y565-W677 VanDerWaalsContact CD1-CZ3 3.47Å; Y565-W677 HydrophobicContact CE1-CZ3 4.04Å; Y565-W677 HydrophobicContact CG-CE3 4.21Å; Y565-W677 HydrophobicContact CG-CZ3 4.41Å; Y565-W677 PolarHBondContact N-O 2.93Å; Y565-W677 PolarHBondContact O-N 3.09Å; Y565-E686 WeakPolarHBondContact CA-OE1 3.06Å; Y565-E686 WeakPolarHBondContact CD2-OE1 3.33Å
566	S	94.5	Very high	92.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	109.2	-178.1	-55.2	0	0	0	0	111.6	V520 F563 E686 R689	V520-S566 VanDerWaalsContact CG2-CB 3.46Å; F563-S566 VanDerWaalsContact CD1-OG 3.26Å; F563-S566 WeakPolarHBondContact CD1-OG 3.46Å; S566-E686 VanDerWaalsContact CB-OE2 3.24Å; S566-E686 WeakPolarHBondContact CB-OE2 3.38Å; S566-E686 VanDerWaalsContact N-CD 3.3Å; S566-E686 PolarHBondContact N-OE1 3.48Å; S566-E686 PolarHBondContact N-OE2 2.88Å; S566-E686 PolarHBondContact OG-OE2 2.03Å; S566-R689 PolarHBondContact OG-NH1 2.04Å
567	H	95.3	Very high	92.3	Very high	8 Å²	8	47.7 Å²	47.7	4%	0.037	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	117.8	-173.3	-159.3	164.9	0	0	0	112.6	D500 G517 V518 Y565 V569 A675 W677	D500-H567 IonicContact OD2-NE2 3.85Å; G517-H567 WeakPolarHBondContact CA-NE2 3.43Å; V518-H567 PolarHBondContact N-NE2 3.47Å; Y565-H567 HydrophobicContact CD1-CB 4.4Å; Y565-H567 HydrophobicContact CE1-CB 3.85Å; Y565-H567 AromaticContact CE1-ND1 3.64Å; Y565-H567 AromaticContact CZ-ND1 3.71Å; Y565-H567 PolarHBondContact OH-ND1 3.3Å; Y565-H567 VanDerWaalsContact OH-ND1 3.14Å; H567-V569 HydrophobicContact CB-CG1 4.14Å; H567-V569 WeakPolarHBondContact CD2-CG1 3.48Å; H567-V569 VanDerWaalsContact CG-CG1 3.48Å; H567-A675 PolarHBondContact N-O 2.84Å; H567-A675 PolarHBondContact O-N 3.25Å; H567-W677 HydrophobicContact CB-CZ3 4.14Å
568	L	97.1	Very high	92.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	114.3	167.2	168.9	58.4	0	0	0	108.7	L491 G517 V518 F540 L620 V674	L491-L568 HydrophobicContact CD2-CD2 4.02Å; L491-L568 HydrophobicContact CG-CD2 4.27Å; G517-L568 CarbonylContact C-O 3.59Å; G517-L568 WeakPolarHBondContact CA-O 3.17Å; V518-L568 HydrophobicContact CG1-CB 3.86Å; V518-L568 HydrophobicContact CG1-CD2 3.82Å; V518-L568 HydrophobicContact CG1-CG 3.99Å; V518-L568 PolarHBondContact N-O 2.77Å; V518-L568 PolarHBondContact O-N 3.47Å; V518-L568 VanDerWaalsContact O-N 3.08Å; F540-L568 HydrophobicContact CD1-CB 4.38Å; F540-L568 HydrophobicContact CD1-CD2 4.4Å; F540-L568 HydrophobicContact CD2-CB 4.39Å; F540-L568 HydrophobicContact CE1-CB 3.76Å; F540-L568 HydrophobicContact CE2-CB 3.82Å; F540-L568 HydrophobicContact CZ-CB 3.46Å; F540-L568 VanDerWaalsContact CZ-CB 3.46Å; L568-L620 HydrophobicContact CD1-CD1 3.58Å; L568-V674 HydrophobicContact CB-CG2 4.25Å; L568-V674 HydrophobicContact CD1-CG2 3.76Å
569	V	95.7	Very high	92.4	Very high	22 Å²	22	47.9 Å²	47.9	13%	0.133	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.1	-171.6	-63.1	0	0	0	0	111.9	F515 Q516 H567 C672 A673	F515-V569 HydrophobicContact CE1-CG1 4.48Å; F515-V569 HydrophobicContact CE2-CB 4.1Å; F515-V569 HydrophobicContact CE2-CG1 4.01Å; F515-V569 HydrophobicContact CZ-CB 4.05Å; F515-V569 HydrophobicContact CZ-CG1 3.54Å; Q516-V569 WeakPolarHBondContact O-CA 3.41Å; H567-V569 HydrophobicContact CB-CG1 4.14Å; H567-V569 WeakPolarHBondContact CD2-CG1 3.48Å; H567-V569 VanDerWaalsContact CG-CG1 3.48Å; V569-C672 CarbonylContact O-C 3.49Å; V569-C672 WeakPolarHBondContact O-CA 3.44Å; V569-A673 HydrophobicContact CG2-CB 4.43Å; V569-A673 WeakPolarHBondContact CG2-O 3.31Å; V569-A673 PolarHBondContact N-O 3.2Å; V569-A673 PolarHBondContact O-N 3.47Å; V569-A673 VanDerWaalsContact O-O 3.09Å
570	C	96.2	Very high	92.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144.7	167.6	-64.6	0	0	0	0	110.6	S492 Q516 Q670 R671 C672	S492-C570 PolarHBondContact OG-SG 3.14Å; Q516-C570 HydrophobicContact CG-CB 3.91Å; Q516-C570 PolarHBondContact N-O 2.62Å; Q516-C570 PolarHBondContact O-N 2.82Å; C570-Q670 HydrophobicContact CB-CG 4Å; C570-R671 CarbonylContact C-O 3.55Å; C570-R671 VanDerWaalsContact CA-O 3.3Å; C570-R671 WeakPolarHBondContact CA-O 2.99Å; C570-C672 HydrophobicContact CB-CB 4.2Å; C570-C672 WeakPolarHBondContact CB-SG 3.35Å; C570-C672 WeakPolarHBondContact SG-CB 3.49Å; C570-C672 CovalentContact SG-SG 2.04Å; C570-C672 PolarHBondContact SG-SG 2.72Å
571	R	94.8	Very high	91.7	Very high	18 Å²	18	50.8 Å²	50.8	7%	0.068	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.8	174.8	-72.7	174.9	169.9	-107.8	10.9	109.8	H509 E513 M514 F515 S585 Q670 R671	H509-R571 PolarHBondContact CD2-NH2 2.87Å; E513-R571 IonicContact OE2-NH1 3.43Å; E513-R571 PolarHBondContact OE2-NH1 2.92Å; E513-R571 VanDerWaalsContact OE2-NH1 3.16Å; M514-R571 CarbonylContact O-C 3.43Å; M514-R571 WeakPolarHBondContact O-CA 3.32Å; F515-R571 HydrophobicContact CD2-CG 3.88Å; R571-S585 VanDerWaalsContact CD-OG 3.31Å; R571-S585 WeakPolarHBondContact CD-OG 3.46Å; R571-S585 VanDerWaalsContact CZ-O 3.28Å; R571-S585 PolarHBondContact NH1-O 3.47Å; R571-S585 PolarHBondContact NH1-OG 2.91Å; R571-S585 VanDerWaalsContact NH1-OG 3.12Å; R571-S585 PolarHBondContact NH2-O 3.3Å; R571-Q670 CarbonylContact O-C 3.31Å; R571-Q670 WeakPolarHBondContact O-CA 3.44Å; R571-R671 PolarHBondContact N-O 3.45Å; R571-R671 PolarHBondContact O-N 2.96Å
572	S	95.1	Very high	91.1	Very high	19 Å²	19	59.5 Å²	59.5	13%	0.133	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	139.4	176.2	-61.8	0	0	0	0	110.8	E513 M514 G669 Q670	E513-S572 CarbonylContact C-O 3.47Å; E513-S572 VanDerWaalsContact CA-O 3.3Å; E513-S572 WeakPolarHBondContact CA-O 3.37Å; M514-S572 PolarHBondContact N-O 3.37Å; M514-S572 PolarHBondContact O-N 2.83Å; S572-G669 WeakPolarHBondContact CA-O 3.1Å; S572-Q670 WeakPolarHBondContact OG-CG 3.48Å; S572-Q670 PolarHBondContact OG-NE2 3.12Å; S572-Q670 VanDerWaalsContact OG-NE2 3.13Å
573	A	94.9	Very high	90.8	Very high	15 Å²	15	59.5 Å²	59.5	12%	0.124	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	148.8	166.7	0	0	0	0	0	110.8	V666 G669	A573-V666 HydrophobicContact CB-CG1 4.45Å; A573-G669 PolarHBondContact N-O 3.31Å
574	I	93.1	Very high	90.6	Very high	37 Å²	37	61.7 Å²	61.7	19%	0.19	30%	0.301	C	S	.	.			trans	-106.6	101.8	168.8	-58.7	172.4	0	0	0	106.8	S512 M514 E576 K577 Q578	S512-I574 WeakPolarHBondContact O-CB 3.44Å; S512-I574 PolarHBondContact O-N 3.29Å; M514-I574 HydrophobicContact CB-CD1 4.42Å; M514-I574 HydrophobicContact CB-CG1 4.38Å; I574-E576 PolarHBondContact O-N 2.87Å; I574-K577 HydrophobicContact CB-CD 4.42Å; I574-K577 HydrophobicContact CG2-CD 4.03Å; I574-K577 HydrophobicContact CG2-CG 4.1Å; I574-K577 PolarHBondContact O-N 3.43Å; I574-Q578 VanDerWaalsContact N-NE2 3.19Å; I574-Q578 PolarHBondContact O-NE2 2.95Å
575	D	87.3	Confident	90.7	Very high	128 Å²	128	60.7 Å²	60.7	68%	0.684	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-49.9	-38.9	-167.9	-61.4	-27.8	0	0	0	113.5	K577	D575-K577 PolarHBondContact O-N 3.38Å
576	E	86.9	Confident	90.7	Very high	179 Å²	179	59.9 Å²	59.9	84%	0.836	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-64.9	-3.5	-179	-58.8	163.2	161.3	0	0	114.7	I574	I574-E576 PolarHBondContact O-N 2.87Å
577	K	87.1	Confident	90.6	Very high	93 Å²	93	62.9 Å²	62.9	40%	0.404	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-137.3	22.8	-168.7	-54.7	-177.2	-175	178.7	0	114.9	P511 S512 I574 D575	P511-K577 WeakPolarHBondContact O-CD 3.41Å; P511-K577 PolarHBondContact O-NZ 3.34Å; S512-K577 VanDerWaalsContact CB-O 3.31Å; S512-K577 WeakPolarHBondContact CB-O 3.36Å; S512-K577 WeakPolarHBondContact OG-CB 3.18Å; S512-K577 PolarHBondContact OG-O 2.97Å; I574-K577 HydrophobicContact CB-CD 4.42Å; I574-K577 HydrophobicContact CG2-CD 4.03Å; I574-K577 HydrophobicContact CG2-CG 4.1Å; I574-K577 PolarHBondContact O-N 3.43Å; D575-K577 PolarHBondContact O-N 3.38Å
578	Q	89.3	Confident	90.6	Very high	32 Å²	32	63.8 Å²	63.8	15%	0.15	32%	0.317	C	S	.	.			trans	-102	-5.3	-175.8	-51.7	-56.1	-34.6	0	0	114.8	S512 I574 R581 V666 T667	S512-Q578 PolarHBondContact O-NE2 2.89Å; I574-Q578 VanDerWaalsContact N-NE2 3.19Å; I574-Q578 PolarHBondContact O-NE2 2.95Å; Q578-R581 WeakPolarHBondContact O-CB 3.03Å; Q578-R581 VanDerWaalsContact OE1-CD 3.29Å; Q578-V666 PolarHBondContact OE1-O 2.04Å; Q578-T667 WeakPolarHBondContact CG-O 2.93Å
579	E	82.9	Confident	90.5	Very high	184 Å²	184	66.2 Å²	66.2	86%	0.86	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	137	-177	-164.9	165.6	-145	0	0	112.2	R581	E579-R581 PolarHBondContact O-N 3.4Å
580	D	78.6	Confident	90.4	Very high	146 Å²	146	65.6 Å²	65.6	78%	0.781	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	20.9	-177.8	-85.5	-26.9	0	0	0	116.9
581	R	82.9	Confident	90.2	Very high	38 Å²	38	66 Å²	66	14%	0.143	33%	0.327	C	S	.	.			trans	-65.6	135.1	-170.6	-163.8	173	173.1	-147.4	-14.1	113.8	T510 E513 Q578 E579 D583 V666	T510-R581 PolarHBondContact OG1-NH2 2.68Å; E513-R581 IonicContact OE1-CZ 2.7Å; E513-R581 IonicContact OE1-NH1 2.66Å; E513-R581 PolarHBondContact OE1-NH1 3.4Å; E513-R581 VanDerWaalsContact OE1-NH1 3.08Å; E513-R581 IonicContact OE1-NH2 2.66Å; E513-R581 PolarHBondContact OE1-NH2 2.79Å; Q578-R581 WeakPolarHBondContact O-CB 3.03Å; Q578-R581 VanDerWaalsContact OE1-CD 3.29Å; E579-R581 PolarHBondContact O-N 3.4Å; R581-D583 WeakPolarHBondContact CG-OD1 3.06Å; R581-D583 IonicContact CZ-OD1 2.66Å; R581-D583 IonicContact CZ-OD2 3.27Å; R581-D583 IonicContact NE-OD1 2.91Å; R581-D583 PolarHBondContact NE-OD1 3.44Å; R581-D583 IonicContact NE-OD2 3.84Å; R581-D583 PolarHBondContact NE-OD2 2.85Å; R581-D583 VanDerWaalsContact NE-OD2 3.14Å; R581-D583 IonicContact NH2-OD2 3.94Å; R581-D583 PolarHBondContact NH2-OD2 3.12Å; R581-V666 PolarHBondContact NH1-O 2.93Å; R581-V666 VanDerWaalsContact NH1-O 3.08Å
582	K	82.8	Confident	90.1	Very high	188 Å²	188	65.6 Å²	65.6	82%	0.817	33%	0.326	S	S	*	.			trans	-139.3	-2.5	-174.7	-70.9	170.1	-170.6	162.2	0	114.9
583	D	90	Very high	89.9	Confident	61 Å²	61	64.9 Å²	64.9	33%	0.326	32%	0.321	S	S	.	.	S	Bend	trans	-74.6	171	172.3	59.8	-65.2	0	0	0	112.1	T510 R581	T510-D583 VanDerWaalsContact CB-OD2 3.26Å; T510-D583 WeakPolarHBondContact CB-OD2 3.23Å; T510-D583 PolarHBondContact OG1-OD2 2.86Å; R581-D583 WeakPolarHBondContact CG-OD1 3.06Å; R581-D583 IonicContact CZ-OD1 2.66Å; R581-D583 IonicContact CZ-OD2 3.27Å; R581-D583 IonicContact NE-OD1 2.91Å; R581-D583 PolarHBondContact NE-OD1 3.44Å; R581-D583 IonicContact NE-OD2 3.84Å; R581-D583 PolarHBondContact NE-OD2 2.85Å; R581-D583 VanDerWaalsContact NE-OD2 3.14Å; R581-D583 IonicContact NH2-OD2 3.94Å; R581-D583 PolarHBondContact NH2-OD2 3.12Å
584	L	92.9	Very high	89.5	Confident	49 Å²	49	66.4 Å²	66.4	26%	0.257	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	145.4	173.9	-66	177.9	0	0	0	109.7	H586 V588 I630 V663	L584-H586 VanDerWaalsContact C-N 3.26Å; L584-H586 WeakPolarHBondContact CB-O 3.26Å; L584-H586 PolarHBondContact O-N 2.55Å; L584-V588 HydrophobicContact CD1-CG2 3.81Å; L584-I630 HydrophobicContact CD2-CD1 4.25Å; L584-V663 CarbonylContact C-O 3.56Å; L584-V663 WeakPolarHBondContact CB-O 3.34Å
585	S	92.9	Very high	89.4	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	-44.4	168.4	176.3	0	0	0	0	110.2	H509 E513 R571 V663 R664	H509-S585 WeakPolarHBondContact CB-O 3.4Å; E513-S585 WeakPolarHBondContact OE1-CA 3.27Å; E513-S585 VanDerWaalsContact OE1-CB 3.28Å; E513-S585 WeakPolarHBondContact OE1-CB 3.29Å; E513-S585 PolarHBondContact OE1-OG 2.69Å; E513-S585 VanDerWaalsContact OE2-CB 3.27Å; E513-S585 WeakPolarHBondContact OE2-CB 3.33Å; E513-S585 PolarHBondContact OE2-OG 3.16Å; R571-S585 VanDerWaalsContact CD-OG 3.31Å; R571-S585 WeakPolarHBondContact CD-OG 3.46Å; R571-S585 VanDerWaalsContact CZ-O 3.28Å; R571-S585 PolarHBondContact NH1-O 3.47Å; R571-S585 PolarHBondContact NH1-OG 2.91Å; R571-S585 VanDerWaalsContact NH1-OG 3.12Å; R571-S585 PolarHBondContact NH2-O 3.3Å; S585-V663 PolarHBondContact N-O 2.68Å; S585-R664 WeakPolarHBondContact CB-O 3.27Å
586	H	93.9	Very high	89.3	Confident	40 Å²	40	62.2 Å²	62.2	19%	0.185	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	122.5	169.7	-159.9	-66.9	0	0	0	109.4	H509 L584 H589 V663	H509-H586 AromaticContact CE1-CD2 3.64Å; H509-H586 AromaticContact CE1-CE1 3.8Å; H509-H586 AromaticContact CE1-NE2 3.33Å; H509-H586 PolarHBondContact CE1-NE2 3.13Å; H509-H586 VanDerWaalsContact CE1-NE2 3.33Å; H509-H586 AromaticContact NE2-CD2 3.92Å; H509-H586 AromaticContact NE2-NE2 3.79Å; L584-H586 VanDerWaalsContact C-N 3.26Å; L584-H586 WeakPolarHBondContact CB-O 3.26Å; L584-H586 PolarHBondContact O-N 2.55Å; H586-H589 AromaticContact CE1-CD2 3.73Å; H586-H589 AromaticContact CE1-CE1 3.3Å; H586-H589 PolarHBondContact CE1-CE1 3.22Å; H586-H589 AromaticContact CE1-CG 3.89Å; H586-H589 AromaticContact CE1-ND1 3.63Å; H586-H589 AromaticContact CE1-NE2 3.33Å; H586-H589 PolarHBondContact CE1-NE2 2.99Å; H586-H589 VanDerWaalsContact CE1-NE2 3.33Å; H586-H589 AromaticContact ND1-CE1 3.47Å; H586-H589 PolarHBondContact ND1-CE1 3Å; H586-H589 AromaticContact ND1-ND1 3.59Å; H586-H589 AromaticContact ND1-NE2 3.98Å; H586-V663 HydrophobicContact CB-CB 3.91Å; H586-V663 HydrophobicContact CB-CG2 3.97Å; H586-V663 PolarHBondContact N-O 3.49Å; H586-V663 VanDerWaalsContact N-O 3.16Å; H586-V663 PolarHBondContact O-N 3.16Å
587	P	93	Very high	89.3	Confident	63 Å²	63	55.2 Å²	55.2	41%	0.409	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	154.3	173	-26.6	35.6	0	0	0	112.5	H509 H589	H509-P587 VanDerWaalsContact ND1-CD 3.34Å; H509-P587 WeakPolarHBondContact ND1-CD 3.33Å; P587-H589 PolarHBondContact O-N 3.42Å; P587-H589 PolarHBondContact O-ND1 3.38Å
588	V	95.4	Very high	89	Confident	27 Å²	27	57.2 Å²	57.2	16%	0.164	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	129.8	175.1	177.5	0	0	0	0	110	L584 L595 T632 A636 P660 H661	L584-V588 HydrophobicContact CD1-CG2 3.81Å; V588-L595 HydrophobicContact CG1-CD2 4.06Å; V588-T632 HydrophobicContact CG1-CG2 4.27Å; V588-T632 WeakPolarHBondContact CG1-OG1 3.31Å; V588-T632 HydrophobicContact CG2-CG2 4.04Å; V588-A636 HydrophobicContact CB-CB 3.97Å; V588-A636 HydrophobicContact CG1-CB 3.8Å; V588-P660 HydrophobicContact CG1-CB 4.32Å; V588-H661 CarbonylContact C-O 3.38Å; V588-H661 VanDerWaalsContact CA-O 3.29Å; V588-H661 WeakPolarHBondContact CA-O 3.06Å
589	H	94	Very high	88.7	Confident	51 Å²	51	60.7 Å²	60.7	24%	0.236	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	178.3	-174.7	69.8	-45.7	0	0	0	111.2	H586 P587 P660 H661	H586-H589 AromaticContact CE1-CD2 3.73Å; H586-H589 AromaticContact CE1-CE1 3.3Å; H586-H589 PolarHBondContact CE1-CE1 3.22Å; H586-H589 AromaticContact CE1-CG 3.89Å; H586-H589 AromaticContact CE1-ND1 3.63Å; H586-H589 AromaticContact CE1-NE2 3.33Å; H586-H589 PolarHBondContact CE1-NE2 2.99Å; H586-H589 VanDerWaalsContact CE1-NE2 3.33Å; H586-H589 AromaticContact ND1-CE1 3.47Å; H586-H589 PolarHBondContact ND1-CE1 3Å; H586-H589 AromaticContact ND1-ND1 3.59Å; H586-H589 AromaticContact ND1-NE2 3.98Å; P587-H589 PolarHBondContact O-N 3.42Å; P587-H589 PolarHBondContact O-ND1 3.38Å; H589-P660 WeakPolarHBondContact O-CA 3.26Å; H589-H661 AromaticContact CE1-CD2 3.68Å; H589-H661 AromaticContact CE1-CE1 3.74Å; H589-H661 AromaticContact CE1-NE2 3.14Å; H589-H661 PolarHBondContact CE1-NE2 3.5Å; H589-H661 PolarHBondContact N-O 2.76Å; H589-H661 AromaticContact ND1-NE2 3.83Å; H589-H661 PolarHBondContact ND1-O 2.77Å; H589-H661 AromaticContact NE2-NE2 3.81Å; H589-H661 PolarHBondContact O-N 2.95Å
590	V	94.6	Very high	88.9	Confident	9 Å²	9	56.2 Å²	56.2	6%	0.055	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-131	138.5	172.3	175.8	0	0	0	0	107.6	N592 C593 L595 A655 G656 P660	V590-N592 PolarHBondContact O-N 3.49Å; V590-C593 WeakPolarHBondContact CB-SG 3.27Å; V590-C593 HydrophobicContact CG1-CB 4.49Å; V590-C593 WeakPolarHBondContact CG1-SG 3.28Å; V590-L595 HydrophobicContact CG2-CB 4.42Å; V590-L595 HydrophobicContact CG2-CD1 4.32Å; V590-L595 HydrophobicContact CG2-CD2 4.47Å; V590-A655 WeakPolarHBondContact CG1-O 3.26Å; V590-G656 VanDerWaalsContact CG1-O 3.29Å; V590-G656 WeakPolarHBondContact CG1-O 3.33Å; V590-P660 HydrophobicContact CG2-CB 3.99Å; V590-P660 HydrophobicContact CG2-CG 3.95Å
591	D	92.6	Very high	89.3	Confident	9 Å²	9	53.6 Å²	53.6	5%	0.048	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-31.1	-170.1	-95	-60.9	0	0	0	115	R612 S615 A655 H661 W677	D591-R612 IonicContact OD1-NH1 2.74Å; D591-R612 PolarHBondContact OD1-NH1 2.97Å; D591-S615 PolarHBondContact OD2-OG 2.96Å; D591-A655 HydrophobicContact CB-CB 3.77Å; D591-H661 IonicContact OD2-CE1 2.64Å; D591-H661 PolarHBondContact OD2-CE1 3.35Å; D591-H661 IonicContact OD2-NE2 2.92Å; D591-W677 VanDerWaalsContact CG-NE1 3.31Å; D591-W677 PolarHBondContact OD1-NE1 2.81Å; D591-W677 PolarHBondContact OD2-NE1 3.03Å
592	N	92.6	Very high	89.6	Confident	9 Å²	9	53.4 Å²	53.4	5%	0.048	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	12.1	-176.1	78.3	20.7	0	0	0	115.5	V590 K604 Y609 T610 R612 A655	V590-N592 PolarHBondContact O-N 3.49Å; N592-K604 VanDerWaalsContact CG-NZ 3.33Å; N592-K604 WeakPolarHBondContact ND2-CE 3.19Å; N592-K604 PolarHBondContact ND2-NZ 2.87Å; N592-K604 WeakPolarHBondContact OD1-CE 3.42Å; N592-Y609 WeakPolarHBondContact CA-O 3.45Å; N592-Y609 WeakPolarHBondContact CB-O 3.07Å; N592-T610 WeakPolarHBondContact O-CA 3.39Å; N592-R612 HydrophobicContact CB-CB 4.07Å; N592-R612 WeakPolarHBondContact CB-O 3.26Å; N592-R612 PolarHBondContact ND2-O 3.06Å; N592-A655 HydrophobicContact CB-CB 4.33Å; N592-A655 PolarHBondContact N-O 2.97Å; N592-A655 VanDerWaalsContact N-O 3.14Å; N592-A655 PolarHBondContact ND2-O 3.02Å; N592-A655 PolarHBondContact OD1-O 2.8Å
593	C	89.4	Confident	89.6	Confident	5 Å²	5	48.3 Å²	48.3	3%	0.034	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-154.5	158	178.3	78.5	0	0	0	0	114.1	V590 L595 C602 K603 K604 A608	V590-C593 WeakPolarHBondContact CB-SG 3.27Å; V590-C593 HydrophobicContact CG1-CB 4.49Å; V590-C593 WeakPolarHBondContact CG1-SG 3.28Å; C593-L595 PolarHBondContact O-N 3.36Å; C593-C602 HydrophobicContact CB-CB 4.19Å; C593-C602 WeakPolarHBondContact CB-SG 3.34Å; C593-C602 VanDerWaalsContact SG-CA 3.51Å; C593-C602 WeakPolarHBondContact SG-CB 3.28Å; C593-C602 CovalentContact SG-SG 2.01Å; C593-C602 PolarHBondContact SG-SG 2.88Å; C593-K603 CarbonylContact C-O 3.59Å; C593-K603 VanDerWaalsContact CA-O 3.29Å; C593-K603 WeakPolarHBondContact CA-O 3.44Å; C593-K603 VanDerWaalsContact CB-O 3.26Å; C593-K603 WeakPolarHBondContact CB-O 3.47Å; C593-K604 HydrophobicContact CB-CG 4.34Å; C593-A608 VanDerWaalsContact CA-CB 3.42Å
594	V	87.9	Confident	89.3	Confident	46 Å²	46	50.8 Å²	50.8	28%	0.279	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	115.2	167.2	-177.1	0	0	0	0	108.4	V596 C602 K603 E605 A608	V594-V596 HydrophobicContact CG1-CG2 4.3Å; V594-C602 WeakPolarHBondContact O-CA 3.11Å; V594-K603 PolarHBondContact N-O 2.8Å; V594-K603 PolarHBondContact O-N 3.31Å; V594-E605 HydrophobicContact CG2-CG 4.32Å; V594-A608 HydrophobicContact CG2-CB 4.08Å
595	L	89.7	Confident	88.1	Confident	33 Å²	33	52.4 Å²	52.4	17%	0.173	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	117.1	175.2	-177.8	63.9	0	0	0	110.1	V588 V590 C593 L634 A636 P660	V588-L595 HydrophobicContact CG1-CD2 4.06Å; V590-L595 HydrophobicContact CG2-CB 4.42Å; V590-L595 HydrophobicContact CG2-CD1 4.32Å; V590-L595 HydrophobicContact CG2-CD2 4.47Å; C593-L595 PolarHBondContact O-N 3.36Å; L595-L634 HydrophobicContact CD1-CD2 3.6Å; L595-A636 HydrophobicContact CD2-CB 4.25Å; L595-P660 HydrophobicContact CD2-CB 4.3Å
596	V	86.9	Confident	86.2	Confident	45 Å²	45	56.1 Å²	56.1	27%	0.273	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	83.7	175.2	-171.8	0	0	0	0	107.8	V594 D598 L599 N600 Q601	V594-V596 HydrophobicContact CG1-CG2 4.3Å; V596-D598 PolarHBondContact O-N 2.75Å; V596-L599 HydrophobicContact CG1-CB 4.08Å; V596-L599 HydrophobicContact CG1-CD1 3.94Å; V596-L599 HydrophobicContact CG1-CG 3.98Å; V596-L599 CarbonylContact O-C 3.58Å; V596-L599 PolarHBondContact O-N 3.35Å; V596-L599 VanDerWaalsContact O-N 3.12Å; V596-N600 PolarHBondContact O-N 3.04Å; V596-N600 VanDerWaalsContact O-N 3.15Å; V596-Q601 HydrophobicContact CB-CB 4.43Å; V596-Q601 PolarHBondContact N-O 3.15Å; V596-Q601 PolarHBondContact O-N 3Å; V596-Q601 VanDerWaalsContact O-N 3.08Å
597	S	85.4	Confident	84.8	Confident	32 Å²	32	59 Å²	59	22%	0.224	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-64.8	-38.3	-167.2	47.9	0	0	0	0	114.1	L599 N600 L634	S597-L599 PolarHBondContact O-N 2.59Å; S597-L599 VanDerWaalsContact O-N 3.12Å; S597-N600 PolarHBondContact O-N 3.31Å; S597-L634 VanDerWaalsContact CA-O 3.29Å; S597-L634 WeakPolarHBondContact CA-O 3.31Å; S597-L634 WeakPolarHBondContact CB-O 3.46Å
598	D	80.7	Confident	83.8	Confident	134 Å²	134	57 Å²	57	72%	0.717	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-65.5	-15.2	176.9	-61.9	-40.3	0	0	0	113.4	V596 K637	V596-D598 PolarHBondContact O-N 2.75Å; D598-K637 IonicContact OD1-NZ 3.72Å; D598-K637 PolarHBondContact OD1-NZ 2.85Å
599	L	83.4	Confident	83.1	Confident	105 Å²	105	61.9 Å²	61.9	55%	0.55	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-107.4	-0.7	172.5	-61.3	-176.8	0	0	0	113.3	V596 S597 Q601	V596-L599 HydrophobicContact CG1-CB 4.08Å; V596-L599 HydrophobicContact CG1-CD1 3.94Å; V596-L599 HydrophobicContact CG1-CG 3.98Å; V596-L599 CarbonylContact O-C 3.58Å; V596-L599 PolarHBondContact O-N 3.35Å; V596-L599 VanDerWaalsContact O-N 3.12Å; S597-L599 PolarHBondContact O-N 2.59Å; S597-L599 VanDerWaalsContact O-N 3.12Å; L599-Q601 HydrophobicContact CB-CB 4.25Å; L599-Q601 HydrophobicContact CB-CG 4.17Å; L599-Q601 PolarHBondContact O-N 3.43Å
600	N	87.6	Confident	82.9	Confident	91 Å²	91	62 Å²	62	49%	0.487	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.3	41.5	-167.7	-65.6	-73.5	0	0	0	112.8	V596 S597 L634 D635	V596-N600 PolarHBondContact O-N 3.04Å; V596-N600 VanDerWaalsContact O-N 3.15Å; S597-N600 PolarHBondContact O-N 3.31Å; N600-L634 HydrophobicContact CB-CB 4.12Å; N600-D635 WeakPolarHBondContact OD1-CA 3.46Å; N600-D635 PolarHBondContact OD1-N 3.43Å
601	Q	87.7	Confident	82.5	Confident	91 Å²	91	63.2 Å²	63.2	43%	0.425	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	145.9	-176.9	-79.3	174.1	42.8	0	0	112.1	V596 L599	V596-Q601 HydrophobicContact CB-CB 4.43Å; V596-Q601 PolarHBondContact N-O 3.15Å; V596-Q601 PolarHBondContact O-N 3Å; V596-Q601 VanDerWaalsContact O-N 3.08Å; L599-Q601 HydrophobicContact CB-CB 4.25Å; L599-Q601 HydrophobicContact CB-CG 4.17Å; L599-Q601 PolarHBondContact O-N 3.43Å
602	C	87.4	Confident	82.4	Confident	34 Å²	34	63.6 Å²	63.6	23%	0.23	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	109	175.3	158.7	0	0	0	0	106.8	C593 V594 L634 K657	C593-C602 HydrophobicContact CB-CB 4.19Å; C593-C602 WeakPolarHBondContact CB-SG 3.34Å; C593-C602 VanDerWaalsContact SG-CA 3.51Å; C593-C602 WeakPolarHBondContact SG-CB 3.28Å; C593-C602 CovalentContact SG-SG 2.01Å; C593-C602 PolarHBondContact SG-SG 2.88Å; V594-C602 WeakPolarHBondContact O-CA 3.11Å; C602-L634 HydrophobicContact CB-CD2 4.09Å; C602-K657 HydrophobicContact CB-CB 3.64Å; C602-K657 WeakPolarHBondContact SG-CB 3.49Å
603	K	82.8	Confident	82.5	Confident	80 Å²	80	65.4 Å²	65.4	35%	0.348	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	121.7	-172.8	-63.3	-175.3	179.6	-175.8	0	111.4	C593 V594 E605	C593-K603 CarbonylContact C-O 3.59Å; C593-K603 VanDerWaalsContact CA-O 3.29Å; C593-K603 WeakPolarHBondContact CA-O 3.44Å; C593-K603 VanDerWaalsContact CB-O 3.26Å; C593-K603 WeakPolarHBondContact CB-O 3.47Å; V594-K603 PolarHBondContact N-O 2.8Å; V594-K603 PolarHBondContact O-N 3.31Å; K603-E605 HydrophobicContact CB-CG 3.88Å; K603-E605 HydrophobicContact CD-CG 4.28Å; K603-E605 WeakPolarHBondContact CD-OE1 3.43Å; K603-E605 IonicContact NZ-OE1 2.75Å; K603-E605 PolarHBondContact NZ-OE1 2.92Å; K603-E605 IonicContact NZ-OE2 3.89Å; K603-E605 PolarHBondContact O-N 3.06Å
604	K	83.8	Confident	82.9	Confident	114 Å²	114	66.5 Å²	66.5	50%	0.496	35%	0.35	S	S	.	.			trans	-76.5	70.7	171.8	-71.1	-149.5	163.7	-160.6	0	110.5	N592 C593 T610	N592-K604 VanDerWaalsContact CG-NZ 3.33Å; N592-K604 WeakPolarHBondContact ND2-CE 3.19Å; N592-K604 PolarHBondContact ND2-NZ 2.87Å; N592-K604 WeakPolarHBondContact OD1-CE 3.42Å; C593-K604 HydrophobicContact CB-CG 4.34Å; K604-T610 VanDerWaalsContact C-CG2 3.45Å; K604-T610 HydrophobicContact CB-CG2 3.82Å; K604-T610 HydrophobicContact CG-CG2 4.47Å; K604-T610 PolarHBondContact NZ-O 3.49Å
605	E	69.3	Low	83.4	Confident	83 Å²	83	64.4 Å²	64.4	39%	0.388	34%	0.337	S	S	.	.			trans	-132.1	150.8	174.1	63.8	-166.4	-167	0	0	110.5	V594 K603 A608	V594-E605 HydrophobicContact CG2-CG 4.32Å; K603-E605 HydrophobicContact CB-CG 3.88Å; K603-E605 HydrophobicContact CD-CG 4.28Å; K603-E605 WeakPolarHBondContact CD-OE1 3.43Å; K603-E605 IonicContact NZ-OE1 2.75Å; K603-E605 PolarHBondContact NZ-OE1 2.92Å; K603-E605 IonicContact NZ-OE2 3.89Å; K603-E605 PolarHBondContact O-N 3.06Å; E605-A608 WeakPolarHBondContact O-CB 3.16Å; E605-A608 PolarHBondContact O-N 2.84Å
606	P	51.8	Low	83.8	Confident	77 Å²	77	62.9 Å²	62.9	50%	0.5	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	144	171.6	-26.9	36.7	0	0	0	111.4	L177	L177-P606 HydrophobicContact CD1-CB 3.95Å; L177-P606 HydrophobicContact CD1-CG 3.71Å
607	P	65.4	Low	84.3	Confident	102 Å²	102	62 Å²	62	66%	0.662	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	cis	-86.7	10.3	14.6	35.2	-38.5	0	0	0	115.7
608	A	72.2	Confident	85	Confident	20 Å²	20	60.6 Å²	60.6	17%	0.165	31%	0.312	C	S	.	.	S	Bend	trans	-72.4	147.2	-179.2	0	0	0	0	0	113.3	C593 V594 E605 T610	C593-A608 VanDerWaalsContact CA-CB 3.42Å; V594-A608 HydrophobicContact CG2-CB 4.08Å; E605-A608 WeakPolarHBondContact O-CB 3.16Å; E605-A608 PolarHBondContact O-N 2.84Å; A608-T610 VanDerWaalsContact C-N 3.27Å; A608-T610 PolarHBondContact O-N 3.33Å
609	Y	80.3	Confident	85.8	Confident	129 Å²	129	54.2 Å²	54.2	51%	0.506	28%	0.278	S	S	.	.			trans	-79.3	72.3	177.6	-61.2	-67.6	0	0	0	111.1	N592 H611 R612	N592-Y609 WeakPolarHBondContact CA-O 3.45Å; N592-Y609 WeakPolarHBondContact CB-O 3.07Å; Y609-H611 AromaticContact CD1-CE1 4Å; Y609-H611 PolarHBondContact O-N 3.06Å; Y609-R612 VanDerWaalsContact CD2-CZ 3.43Å; Y609-R612 PolarHBondContact O-N 3.21Å
610	T	88.6	Confident	86.5	Confident	53 Å²	53	49.2 Å²	49.2	33%	0.325	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.9	-168.6	60.9	0	0	0	0	115.2	N592 K604 A608	N592-T610 WeakPolarHBondContact O-CA 3.39Å; K604-T610 VanDerWaalsContact C-CG2 3.45Å; K604-T610 HydrophobicContact CB-CG2 3.82Å; K604-T610 HydrophobicContact CG-CG2 4.47Å; K604-T610 PolarHBondContact NZ-O 3.49Å; A608-T610 VanDerWaalsContact C-N 3.27Å; A608-T610 PolarHBondContact O-N 3.33Å
611	H	87	Confident	86.9	Confident	36 Å²	36	45.2 Å²	45.2	17%	0.167	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-7.1	177.3	68.2	-81.8	0	0	0	114.8	S564 Y609 T679 H684	S564-H611 PolarHBondContact OG-NE2 3.28Å; Y609-H611 AromaticContact CD1-CE1 4Å; Y609-H611 PolarHBondContact O-N 3.06Å; H611-T679 VanDerWaalsContact O-CB 3.22Å; H611-T679 WeakPolarHBondContact O-CB 3.19Å; H611-T679 PolarHBondContact O-OG1 2.92Å; H611-H684 HydrophobicContact CB-CB 4.34Å; H611-H684 VanDerWaalsContact CD2-CB 3.41Å; H611-H684 WeakPolarHBondContact CD2-CB 3.25Å; H611-H684 AromaticContact CD2-CD2 3.72Å; H611-H684 AromaticContact CD2-CG 3.68Å; H611-H684 AromaticContact CG-CD2 3.43Å; H611-H684 VanDerWaalsContact CG-CD2 3.43Å; H611-H684 AromaticContact CG-CG 3.69Å; H611-H684 AromaticContact ND1-CD2 3.79Å
612	R	91.6	Very high	87.2	Confident	16 Å²	16	45.1 Å²	45.1	6%	0.06	23%	0.233	C	C	.	.			trans	-72.4	133.8	174.8	-70.1	179.3	177.8	178.8	-1.5	110.6	D591 N592 Y609 A655 W677 F678	D591-R612 IonicContact OD1-NH1 2.74Å; D591-R612 PolarHBondContact OD1-NH1 2.97Å; N592-R612 HydrophobicContact CB-CB 4.07Å; N592-R612 WeakPolarHBondContact CB-O 3.26Å; N592-R612 PolarHBondContact ND2-O 3.06Å; Y609-R612 VanDerWaalsContact CD2-CZ 3.43Å; Y609-R612 PolarHBondContact O-N 3.21Å; R612-A655 HydrophobicContact CB-CB 3.94Å; R612-W677 HydrophobicContact CG-CB 4.46Å; R612-W677 VanDerWaalsContact CZ-CD1 3.5Å; R612-W677 VanDerWaalsContact CZ-CG 3.41Å; R612-W677 VanDerWaalsContact NH1-NE1 3.16Å; R612-F678 WeakPolarHBondContact CA-O 3.28Å
613	D	94.5	Very high	87.6	Confident	48 Å²	48	48.9 Å²	48.9	26%	0.257	25%	0.251	S	S	.	.			trans	-115.7	-37.6	-178.2	-64.7	-61.8	0	0	0	112.5	G654 A655 F678 T679 L680	D613-G654 CarbonylContact O-C 3.58Å; D613-G654 WeakPolarHBondContact O-CA 3.36Å; D613-A655 PolarHBondContact O-N 3.2Å; D613-F678 PolarHBondContact N-O 3.07Å; D613-T679 WeakPolarHBondContact OD2-CA 3.49Å; D613-T679 PolarHBondContact OD2-OG1 2.82Å; D613-L680 HydrophobicContact CB-CD1 4.09Å; D613-L680 HydrophobicContact CB-CG 3.97Å; D613-L680 PolarHBondContact OD2-N 3.22Å
614	Y	97.5	Very high	88.2	Confident	28 Å²	28	46 Å²	46	11%	0.11	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	160.5	178.7	-70.6	-89.4	0	0	0	111.2	F555 L557 L561 F653 F678	F555-Y614 HydrophobicContact CB-CE1 4.36Å; F555-Y614 HydrophobicContact CD1-CE1 4.32Å; F555-Y614 AromaticContact CD2-CD1 3.9Å; F555-Y614 HydrophobicContact CD2-CD1 3.9Å; F555-Y614 AromaticContact CD2-CE1 3.8Å; F555-Y614 HydrophobicContact CD2-CE1 3.8Å; F555-Y614 AromaticContact CE2-CD1 3.95Å; F555-Y614 HydrophobicContact CE2-CD1 3.95Å; F555-Y614 HydrophobicContact CE2-CE1 4.12Å; F555-Y614 HydrophobicContact CG-CD1 4.47Å; F555-Y614 AromaticContact CG-CE1 3.92Å; F555-Y614 HydrophobicContact CG-CE1 3.92Å; L557-Y614 HydrophobicContact CD1-CD2 4.25Å; L557-Y614 HydrophobicContact CD1-CE2 4.02Å; L557-Y614 HydrophobicContact CD2-CE2 3.96Å; L561-Y614 HydrophobicContact CD2-CD2 3.62Å; L561-Y614 HydrophobicContact CD2-CE2 4.43Å; L561-Y614 HydrophobicContact CD2-CG 4.15Å; Y614-F653 CarbonylContact C-O 3.23Å; Y614-F653 WeakPolarHBondContact CA-O 2.94Å; Y614-F678 PolarHBondContact N-O 2.76Å; Y614-F678 PolarHBondContact O-N 2.92Å
615	S	97.8	Very high	88.7	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.014	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	148.9	179.6	-60.3	0	0	0	0	110.5	D591 G652 F653 L676	D591-S615 PolarHBondContact OD2-OG 2.96Å; S615-G652 WeakPolarHBondContact O-CA 3.47Å; S615-F653 PolarHBondContact N-O 3.45Å; S615-F653 PolarHBondContact O-N 3.26Å; S615-L676 CarbonylContact C-O 3.55Å; S615-L676 WeakPolarHBondContact CA-O 3.29Å
616	A	98.2	Very high	89.8	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.008	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	140.8	178.3	0	0	0	0	0	111.4	V547 L551 V650 V651 L676 F678	V547-A616 HydrophobicContact CG1-CB 3.7Å; L551-A616 HydrophobicContact CD1-CB 4.1Å; L551-A616 HydrophobicContact CD2-CB 3.88Å; A616-V650 HydrophobicContact CB-CG1 4.17Å; A616-V651 CarbonylContact C-O 3.57Å; A616-V651 VanDerWaalsContact CA-O 3.28Å; A616-V651 WeakPolarHBondContact CA-O 3.31Å; A616-L676 HydrophobicContact CB-CB 4.44Å; A616-L676 PolarHBondContact N-O 2.86Å; A616-L676 PolarHBondContact O-N 3.39Å; A616-F678 HydrophobicContact CB-CE2 3.95Å
617	I	98.3	Very high	91.9	Very high	26 Å²	26	38.4 Å²	38.4	13%	0.133	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	114.3	172.1	-53.9	175.9	0	0	0	108.4	Y619 F629 V650 V651 A673 V674	I617-Y619 HydrophobicContact CB-CE1 4.49Å; I617-Y619 HydrophobicContact CG2-CD1 4.06Å; I617-Y619 HydrophobicContact CG2-CE1 3.41Å; I617-Y619 VanDerWaalsContact CG2-CE1 3.41Å; I617-Y619 HydrophobicContact CG2-CE2 4.33Å; I617-F629 HydrophobicContact CD1-CD2 3.87Å; I617-F629 HydrophobicContact CD1-CE2 3.49Å; I617-F629 VanDerWaalsContact CD1-CE2 3.49Å; I617-F629 HydrophobicContact CD1-CZ 4.45Å; I617-V650 VanDerWaalsContact O-CA 3.32Å; I617-V650 WeakPolarHBondContact O-CA 3.29Å; I617-V651 PolarHBondContact N-O 3.47Å; I617-V651 PolarHBondContact O-N 2.72Å; I617-A673 HydrophobicContact CG2-CB 3.83Å; I617-V674 WeakPolarHBondContact CA-O 3.19Å
618	L	98.4	Very high	93.4	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	116.5	173.9	166.4	60.4	0	0	0	109.3	I480 V547 L620 R649 V650 A673 V674	I480-L618 HydrophobicContact CD1-CD1 4.19Å; I480-L618 HydrophobicContact CD1-CD2 4.19Å; I480-L618 HydrophobicContact CD1-CG 4.5Å; I480-L618 HydrophobicContact CG1-CD1 4.15Å; I480-L618 HydrophobicContact CG2-CD1 4.4Å; I480-L618 HydrophobicContact CG2-CD2 4.17Å; V547-L618 HydrophobicContact CG2-CB 4.35Å; V547-L618 HydrophobicContact CG2-CD2 3.95Å; L618-L620 HydrophobicContact CG-CD2 4.26Å; L618-R649 WeakPolarHBondContact CA-O 3.39Å; L618-V650 HydrophobicContact CB-CG2 3.93Å; L618-V650 HydrophobicContact CD1-CG2 3.65Å; L618-V650 HydrophobicContact CG-CG2 4.34Å; L618-A673 CarbonylContact O-C 3.57Å; L618-A673 WeakPolarHBondContact O-CA 3.46Å; L618-A673 WeakPolarHBondContact O-CB 3.39Å; L618-V674 HydrophobicContact CB-CB 4.27Å; L618-V674 PolarHBondContact N-O 3.12Å; L618-V674 PolarHBondContact O-N 2.9Å
619	Y	98.2	Very high	94.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	141	179.1	-64.8	-58.7	0	0	0	112	I617 F629 P645 R646 G648 R649 V651 R671 A673	I617-Y619 HydrophobicContact CB-CE1 4.49Å; I617-Y619 HydrophobicContact CG2-CD1 4.06Å; I617-Y619 HydrophobicContact CG2-CE1 3.41Å; I617-Y619 VanDerWaalsContact CG2-CE1 3.41Å; I617-Y619 HydrophobicContact CG2-CE2 4.33Å; Y619-F629 WeakPolarHBondContact OH-CB 3.49Å; Y619-F629 WeakPolarHBondContact OH-CD2 3.38Å; Y619-P645 HydrophobicContact CD1-CB 3.8Å; Y619-P645 HydrophobicContact CD1-CG 4.2Å; Y619-P645 HydrophobicContact CD2-CB 4Å; Y619-P645 HydrophobicContact CE1-CB 4.28Å; Y619-P645 HydrophobicContact CE1-CG 4.18Å; Y619-P645 HydrophobicContact CE2-CB 4.42Å; Y619-P645 HydrophobicContact CE2-CG 4.46Å; Y619-P645 HydrophobicContact CG-CB 3.68Å; Y619-P645 HydrophobicContact CG-CG 4.4Å; Y619-R646 CarbonylContact C-O 3.55Å; Y619-R646 WeakPolarHBondContact CB-O 3.32Å; Y619-G648 PolarHBondContact O-N 3.2Å; Y619-R649 HydrophobicContact CD2-CB 4.38Å; Y619-R649 HydrophobicContact CD2-CG 4.12Å; Y619-R649 PolarHBondContact N-O 3.49Å; Y619-V651 HydrophobicContact CE2-CG2 3.84Å; Y619-R671 VanDerWaalsContact CE1-NH2 3.31Å; Y619-R671 PolarHBondContact OH-NH2 2.86Å; Y619-A673 HydrophobicContact CD1-CB 3.82Å; Y619-A673 HydrophobicContact CE1-CB 4.08Å
620	L	97.8	Very high	95.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.			trans	-108.7	-12.9	-173.8	-55.5	-179.4	0	0	0	113.4	I480 C485 L488 Q489 L568 L618 C672	I480-L620 HydrophobicContact CD1-CD2 3.88Å; C485-L620 VanDerWaalsContact CB-O 3.31Å; C485-L620 WeakPolarHBondContact CB-O 3.4Å; L488-L620 HydrophobicContact CB-CD1 3.69Å; L488-L620 HydrophobicContact CB-CD2 4.13Å; L488-L620 HydrophobicContact CD1-CD1 4.43Å; L488-L620 HydrophobicContact CD1-CD2 3.71Å; Q489-L620 HydrophobicContact CG-CB 4.14Å; Q489-L620 PolarHBondContact NE2-O 3.01Å; L568-L620 HydrophobicContact CD1-CD1 3.58Å; L618-L620 HydrophobicContact CG-CD2 4.26Å; L620-C672 HydrophobicContact CB-CB 4.21Å; L620-C672 HydrophobicContact CD1-CB 4.16Å; L620-C672 PolarHBondContact N-O 2.88Å
621	N	96.7	Very high	95.9	Very high	7 Å²	7	26 Å²	26	4%	0.037	13%	0.134	C	C	.	.			trans	-161.6	172.9	-176.5	71.3	-42.9	0	0	0	113.9	D623 F624 R646 Q670 C672	N621-D623 WeakPolarHBondContact CB-OD1 3.37Å; N621-D623 PolarHBondContact ND2-OD1 3.43Å; N621-F624 WeakPolarHBondContact O-CE1 3.49Å; N621-R646 WeakPolarHBondContact O-CA 3.43Å; N621-Q670 PolarHBondContact ND2-O 2.94Å; N621-C672 PolarHBondContact OD1-N 2.97Å; N621-C672 PolarHBondContact OD1-O 2.76Å
622	D	94.6	Very high	96.3	Very high	89 Å²	89	24.5 Å²	24.5	48%	0.476	13%	0.127	S	C	.	.			trans	-141.1	6.6	178.2	41.6	15.5	0	0	0	113.3	F624 R646	D622-F624 PolarHBondContact O-N 3.41Å; D622-R646 HydrophobicContact CB-CB 4.09Å; D622-R646 WeakPolarHBondContact OD2-CB 3.42Å
623	D	94.6	Very high	96.4	Very high	114 Å²	114	28.5 Å²	28.5	61%	0.61	15%	0.147	S	C	*	.			trans	-83	47	179.6	63.9	-43.9	0	0	0	114	N621	N621-D623 WeakPolarHBondContact CB-OD1 3.37Å; N621-D623 PolarHBondContact ND2-OD1 3.43Å
624	F	95.1	Very high	96.2	Very high	18 Å²	18	28.1 Å²	28.1	8%	0.079	14%	0.144	C	C	.	.	S	Bend	trans	-144.4	167.8	177.6	57.9	-92.9	0	0	0	111.7	N621 D622 G626 P645 V666 K668 Q670 R671	N621-F624 WeakPolarHBondContact O-CE1 3.49Å; D622-F624 PolarHBondContact O-N 3.41Å; F624-G626 WeakPolarHBondContact CD2-O 3.28Å; F624-G626 VanDerWaalsContact CE2-O 3.27Å; F624-G626 WeakPolarHBondContact CE2-O 3.39Å; F624-P645 HydrophobicContact CE2-CG 4.31Å; F624-P645 HydrophobicContact CZ-CB 3.75Å; F624-P645 HydrophobicContact CZ-CG 3.85Å; F624-V666 HydrophobicContact CB-CG1 4.49Å; F624-V666 HydrophobicContact CD2-CG1 4.46Å; F624-K668 WeakPolarHBondContact CA-O 3.07Å; F624-K668 VanDerWaalsContact CB-O 3.23Å; F624-K668 WeakPolarHBondContact CB-O 3.3Å; F624-Q670 WeakPolarHBondContact CD1-O 3.14Å; F624-R671 HydrophobicContact CD1-CB 3.89Å; F624-R671 HydrophobicContact CD1-CG 4.46Å; F624-R671 HydrophobicContact CD2-CB 4.05Å; F624-R671 HydrophobicContact CD2-CG 4.49Å; F624-R671 HydrophobicContact CE1-CB 3.71Å; F624-R671 HydrophobicContact CE1-CG 3.78Å; F624-R671 HydrophobicContact CE2-CB 3.89Å; F624-R671 HydrophobicContact CE2-CG 3.83Å; F624-R671 HydrophobicContact CG-CB 4.04Å; F624-R671 HydrophobicContact CZ-CB 3.7Å; F624-R671 HydrophobicContact CZ-CG 3.42Å; F624-R671 VanDerWaalsContact CZ-CG 3.42Å
625	E	94.7	Very high	95.8	Very high	98 Å²	98	28.4 Å²	28.4	46%	0.458	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	136.7	176.8	-63.1	172	-165.9	0	0	110.5	T667 K668	E625-T667 WeakPolarHBondContact CB-OG1 3.36Å; E625-T667 PolarHBondContact O-N 2.88Å; E625-T667 PolarHBondContact O-OG1 2.85Å; E625-K668 HydrophobicContact CB-CB 3.95Å; E625-K668 HydrophobicContact CG-CB 4.2Å; E625-K668 HydrophobicContact CG-CD 4.02Å; E625-K668 PolarHBondContact N-O 2.92Å; E625-K668 VanDerWaalsContact N-O 3.08Å; E625-K668 WeakPolarHBondContact OE1-CD 3.19Å; E625-K668 WeakPolarHBondContact OE1-CE 3.3Å; E625-K668 IonicContact OE1-NZ 2.7Å; E625-K668 PolarHBondContact OE1-NZ 2.95Å; E625-K668 WeakPolarHBondContact OE2-CD 3.46Å; E625-K668 IonicContact OE2-NZ 2.6Å
626	G	93.4	Very high	95.4	Very high	18 Å²	18	29.7 Å²	29.7	19%	0.186	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.9	-145.3	-173.4	0	0	0	0	0	113.2	F624 E628 A665	F624-G626 WeakPolarHBondContact CD2-O 3.28Å; F624-G626 VanDerWaalsContact CE2-O 3.27Å; F624-G626 WeakPolarHBondContact CE2-O 3.39Å; G626-E628 VanDerWaalsContact C-N 3.31Å; G626-E628 WeakPolarHBondContact CA-OE2 3.09Å; G626-E628 PolarHBondContact O-N 2.64Å; G626-A665 WeakPolarHBondContact CA-O 3.42Å
627	G	94.6	Very high	95	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.			trans	72.2	14.7	174.5	0	0	0	0	0	116.1	V663 R664 A665 R671	G627-V663 WeakPolarHBondContact O-CG1 3.44Å; G627-R664 WeakPolarHBondContact CA-O 3.5Å; G627-A665 PolarHBondContact N-O 3.03Å; G627-R671 VanDerWaalsContact O-CZ 3.31Å; G627-R671 PolarHBondContact O-NE 2.81Å; G627-R671 PolarHBondContact O-NH2 2.96Å
628	E	97.1	Very high	94.8	Very high	36 Å²	36	38.7 Å²	38.7	17%	0.168	20%	0.202	C	C	.	.			trans	-63	138.9	178.5	-58.2	77.9	-174.3	0	0	111.5	G626 E642 V663 R664	G626-E628 VanDerWaalsContact C-N 3.31Å; G626-E628 WeakPolarHBondContact CA-OE2 3.09Å; G626-E628 PolarHBondContact O-N 2.64Å; E628-E642 HydrophobicContact CB-CG 3.94Å; E628-E642 HydrophobicContact CG-CG 4.5Å; E628-V663 CarbonylContact O-C 3.48Å; E628-V663 WeakPolarHBondContact O-CA 3.3Å; E628-R664 HydrophobicContact CB-CB 4.47Å; E628-R664 HydrophobicContact CB-CG 4.23Å; E628-R664 PolarHBondContact O-N 3.2Å; E628-R664 WeakPolarHBondContact OE2-CB 3.38Å; E628-R664 WeakPolarHBondContact OE2-CD 3.36Å
629	F	97.4	Very high	94.7	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	129.4	174.6	-179.6	-81.5	0	0	0	109.5	I617 Y619 F631 E642 V643 V651 F653 H661 V663	I617-F629 HydrophobicContact CD1-CD2 3.87Å; I617-F629 HydrophobicContact CD1-CE2 3.49Å; I617-F629 VanDerWaalsContact CD1-CE2 3.49Å; I617-F629 HydrophobicContact CD1-CZ 4.45Å; Y619-F629 WeakPolarHBondContact OH-CB 3.49Å; Y619-F629 WeakPolarHBondContact OH-CD2 3.38Å; F629-F631 HydrophobicContact CD1-CD2 4.47Å; F629-F631 HydrophobicContact CD1-CE2 4.31Å; F629-F631 HydrophobicContact CE1-CD1 4.14Å; F629-F631 HydrophobicContact CE1-CD2 4.01Å; F629-F631 AromaticContact CE1-CE1 3.85Å; F629-F631 HydrophobicContact CE1-CE1 3.85Å; F629-F631 AromaticContact CE1-CE2 3.72Å; F629-F631 HydrophobicContact CE1-CE2 3.72Å; F629-F631 HydrophobicContact CE1-CG 4.22Å; F629-F631 AromaticContact CE1-CZ 3.64Å; F629-F631 HydrophobicContact CE1-CZ 3.64Å; F629-F631 HydrophobicContact CZ-CE1 4.28Å; F629-F631 HydrophobicContact CZ-CZ 4.33Å; F629-E642 CarbonylContact O-C 3.57Å; F629-E642 WeakPolarHBondContact O-CA 3.22Å; F629-V643 HydrophobicContact CB-CB 4.42Å; F629-V643 PolarHBondContact N-O 2.77Å; F629-V643 PolarHBondContact O-N 2.95Å; F629-V651 HydrophobicContact CD1-CG1 4.34Å; F629-V651 HydrophobicContact CE1-CG1 4.01Å; F629-V651 HydrophobicContact CZ-CG1 4.41Å; F629-F653 AromaticContact CZ-CE1 3.97Å; F629-F653 HydrophobicContact CZ-CE1 3.97Å; F629-F653 HydrophobicContact CZ-CZ 4.18Å; F629-H661 HydrophobicContact CE1-CB 3.98Å; F629-H661 HydrophobicContact CE2-CB 4.3Å; F629-H661 AromaticContact CE2-CD2 3.35Å; F629-H661 WeakPolarHBondContact CE2-CD2 3.3Å; F629-H661 HydrophobicContact CZ-CB 3.59Å; F629-H661 AromaticContact CZ-CD2 3.35Å; F629-H661 WeakPolarHBondContact CZ-CD2 3.33Å; F629-H661 AromaticContact CZ-CG 3.55Å; F629-V663 HydrophobicContact CD2-CG2 4.07Å
630	I	97.8	Very high	94.5	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.036	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.7	-176.9	50.6	170.6	0	0	0	110.8	L584 V639 E642 H661 G662 R664	L584-I630 HydrophobicContact CD2-CD1 4.25Å; I630-V639 HydrophobicContact CB-CG1 4.16Å; I630-V639 HydrophobicContact CB-CG2 4.49Å; I630-V639 HydrophobicContact CD1-CG2 4.24Å; I630-V639 HydrophobicContact CG2-CG1 4.04Å; I630-E642 HydrophobicContact CG2-CB 4.16Å; I630-E642 HydrophobicContact CG2-CG 3.84Å; I630-E642 WeakPolarHBondContact CG2-OE2 3.1Å; I630-H661 CarbonylContact O-C 3.54Å; I630-H661 WeakPolarHBondContact O-CA 3.46Å; I630-H661 VanDerWaalsContact O-CB 3.29Å; I630-H661 WeakPolarHBondContact O-CB 3.46Å; I630-G662 WeakPolarHBondContact CG1-O 3.41Å; I630-G662 PolarHBondContact N-O 3.05Å; I630-G662 PolarHBondContact O-N 3.02Å; I630-R664 HydrophobicContact CG2-CG 4.37Å
631	F	97.9	Very high	94.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	145	161.5	-69	-77.7	0	0	0	109.2	R473 F629 V639 T640 A641 V651 F653 N659 P660 H661	R473-F631 HydrophobicContact CB-CZ 4.47Å; R473-F631 HydrophobicContact CG-CE1 4.26Å; R473-F631 HydrophobicContact CG-CE2 4.45Å; R473-F631 HydrophobicContact CG-CZ 4.06Å; F629-F631 HydrophobicContact CD1-CD2 4.47Å; F629-F631 HydrophobicContact CD1-CE2 4.31Å; F629-F631 HydrophobicContact CE1-CD1 4.14Å; F629-F631 HydrophobicContact CE1-CD2 4.01Å; F629-F631 AromaticContact CE1-CE1 3.85Å; F629-F631 HydrophobicContact CE1-CE1 3.85Å; F629-F631 AromaticContact CE1-CE2 3.72Å; F629-F631 HydrophobicContact CE1-CE2 3.72Å; F629-F631 HydrophobicContact CE1-CG 4.22Å; F629-F631 AromaticContact CE1-CZ 3.64Å; F629-F631 HydrophobicContact CE1-CZ 3.64Å; F629-F631 HydrophobicContact CZ-CE1 4.28Å; F629-F631 HydrophobicContact CZ-CZ 4.33Å; F631-V639 CarbonylContact O-C 3.58Å; F631-V639 WeakPolarHBondContact O-CA 3.3Å; F631-T640 WeakPolarHBondContact CB-OG1 3.45Å; F631-T640 PolarHBondContact O-N 3.19Å; F631-T640 PolarHBondContact O-OG1 3.31Å; F631-A641 HydrophobicContact CD2-CB 4.25Å; F631-A641 PolarHBondContact N-O 2.84Å; F631-V651 HydrophobicContact CE2-CG1 4.11Å; F631-V651 HydrophobicContact CZ-CG1 3.86Å; F631-F653 HydrophobicContact CE1-CB 4.11Å; F631-F653 HydrophobicContact CE1-CD1 4.41Å; F631-F653 HydrophobicContact CE1-CD2 4.26Å; F631-F653 HydrophobicContact CE1-CG 4.01Å; F631-F653 HydrophobicContact CZ-CB 4.09Å; F631-F653 HydrophobicContact CZ-CD1 4.27Å; F631-F653 HydrophobicContact CZ-CG 4.18Å; F631-N659 HydrophobicContact CD1-CB 4.34Å; F631-N659 HydrophobicContact CE1-CB 4.12Å; F631-P660 CarbonylContact C-O 3.58Å; F631-P660 WeakPolarHBondContact CA-O 3.2Å; F631-H661 HydrophobicContact CD1-CB 3.98Å; F631-H661 HydrophobicContact CE1-CB 4.43Å
632	T	96	Very high	94.4	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.018	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	171.1	176.7	71.4	0	0	0	0	112	V588 T638 V639 P660	V588-T632 HydrophobicContact CG1-CG2 4.27Å; V588-T632 WeakPolarHBondContact CG1-OG1 3.31Å; V588-T632 HydrophobicContact CG2-CG2 4.04Å; T632-T638 CarbonylContact C-O 3.56Å; T632-T638 WeakPolarHBondContact CA-O 3.48Å; T632-T638 WeakPolarHBondContact CB-O 3.37Å; T632-V639 HydrophobicContact CG2-CG2 4.32Å; T632-P660 PolarHBondContact N-O 2.77Å
633	E	93	Very high	94.5	Very high	101 Å²	101	43 Å²	43	47%	0.472	23%	0.228	S	C	.	.			trans	-68.8	173.4	157.9	-66.6	-62.3	162.1	0	0	111.2	D635 A636 T638 T640	E633-D635 PolarHBondContact O-N 2.96Å; E633-D635 VanDerWaalsContact O-N 3.13Å; E633-A636 PolarHBondContact O-N 3.4Å; E633-T638 HydrophobicContact CG-CG2 3.96Å; E633-T638 PolarHBondContact N-O 3.35Å; E633-T640 HydrophobicContact CG-CG2 3.76Å; E633-T640 VanDerWaalsContact OE1-CG2 3.31Å; E633-T640 WeakPolarHBondContact OE1-CG2 3.39Å
634	L	90.9	Very high	94.5	Very high	40 Å²	40	42 Å²	42	21%	0.209	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-12.2	175.4	-72.9	165.8	0	0	0	114	L595 S597 N600 C602 A636 K657 P660	L595-L634 HydrophobicContact CD1-CD2 3.6Å; S597-L634 VanDerWaalsContact CA-O 3.29Å; S597-L634 WeakPolarHBondContact CA-O 3.31Å; S597-L634 WeakPolarHBondContact CB-O 3.46Å; N600-L634 HydrophobicContact CB-CB 4.12Å; C602-L634 HydrophobicContact CB-CD2 4.09Å; L634-A636 PolarHBondContact O-N 3.12Å; L634-K657 HydrophobicContact CD2-CB 4.47Å; L634-P660 HydrophobicContact CD2-CG 3.88Å; L634-P660 HydrophobicContact CG-CG 4.28Å
635	D	89.1	Confident	94.6	Very high	34 Å²	34	41.2 Å²	41.2	18%	0.182	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-7.6	176.3	75.3	-9.6	0	0	0	113.8	N600 E633 K637 T638	N600-D635 WeakPolarHBondContact OD1-CA 3.46Å; N600-D635 PolarHBondContact OD1-N 3.43Å; E633-D635 PolarHBondContact O-N 2.96Å; E633-D635 VanDerWaalsContact O-N 3.13Å; D635-K637 WeakPolarHBondContact O-CD 3.33Å; D635-K637 WeakPolarHBondContact O-CG 3.18Å; D635-K637 PolarHBondContact O-N 2.76Å; D635-K637 PolarHBondContact OD1-N 2.74Å; D635-T638 PolarHBondContact OD1-N 3.3Å; D635-T638 WeakPolarHBondContact OD2-CB 3.34Å; D635-T638 PolarHBondContact OD2-N 2.69Å; D635-T638 PolarHBondContact OD2-OG1 3.18Å
636	A	89.9	Confident	94.7	Very high	28 Å²	28	40.5 Å²	40.5	23%	0.231	21%	0.209	C	C	.	.	S	Bend	trans	57	18.5	-174.6	0	0	0	0	0	115.5	V588 L595 E633 L634	V588-A636 HydrophobicContact CB-CB 3.97Å; V588-A636 HydrophobicContact CG1-CB 3.8Å; L595-A636 HydrophobicContact CD2-CB 4.25Å; E633-A636 PolarHBondContact O-N 3.4Å; L634-A636 PolarHBondContact O-N 3.12Å
637	K	90.1	Very high	94.9	Very high	143 Å²	143	40.8 Å²	40.8	62%	0.622	21%	0.207	S	C	*	.	S	Bend	trans	-130.6	-39.8	-171.7	-67.2	155.3	-167.1	158.8	0	112	D598 D635 V639	D598-K637 IonicContact OD1-NZ 3.72Å; D598-K637 PolarHBondContact OD1-NZ 2.85Å; D635-K637 WeakPolarHBondContact O-CD 3.33Å; D635-K637 WeakPolarHBondContact O-CG 3.18Å; D635-K637 PolarHBondContact O-N 2.76Å; D635-K637 PolarHBondContact OD1-N 2.74Å; K637-V639 PolarHBondContact O-N 3.33Å
638	T	93.7	Very high	94.9	Very high	73 Å²	73	40.8 Å²	40.8	45%	0.448	21%	0.208	S	C	.	.	S	Bend	trans	-84.1	101	-178.5	-61.3	0	0	0	0	109.7	T632 E633 D635 T640	T632-T638 CarbonylContact C-O 3.56Å; T632-T638 WeakPolarHBondContact CA-O 3.48Å; T632-T638 WeakPolarHBondContact CB-O 3.37Å; E633-T638 HydrophobicContact CG-CG2 3.96Å; E633-T638 PolarHBondContact N-O 3.35Å; D635-T638 PolarHBondContact OD1-N 3.3Å; D635-T638 WeakPolarHBondContact OD2-CB 3.34Å; D635-T638 PolarHBondContact OD2-N 2.69Å; D635-T638 PolarHBondContact OD2-OG1 3.18Å; T638-T640 PolarHBondContact O-N 3.45Å
639	V	95.9	Very high	95	Very high	62 Å²	62	40.5 Å²	40.5	38%	0.376	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	122.8	176.6	178.8	0	0	0	0	110	I630 F631 T632 K637	I630-V639 HydrophobicContact CB-CG1 4.16Å; I630-V639 HydrophobicContact CB-CG2 4.49Å; I630-V639 HydrophobicContact CD1-CG2 4.24Å; I630-V639 HydrophobicContact CG2-CG1 4.04Å; F631-V639 CarbonylContact O-C 3.58Å; F631-V639 WeakPolarHBondContact O-CA 3.3Å; T632-V639 HydrophobicContact CG2-CG2 4.32Å; K637-V639 PolarHBondContact O-N 3.33Å
640	T	93.9	Very high	95	Very high	21 Å²	21	40.5 Å²	40.5	13%	0.129	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-33.7	-178.4	55.1	0	0	0	0	112.4	N469 R473 F631 E633 T638	N469-T640 WeakPolarHBondContact CB-O 3.35Å; N469-T640 PolarHBondContact ND2-O 3.05Å; R473-T640 PolarHBondContact NH1-OG1 3.38Å; F631-T640 WeakPolarHBondContact CB-OG1 3.45Å; F631-T640 PolarHBondContact O-N 3.19Å; F631-T640 PolarHBondContact O-OG1 3.31Å; E633-T640 HydrophobicContact CG-CG2 3.76Å; E633-T640 VanDerWaalsContact OE1-CG2 3.31Å; E633-T640 WeakPolarHBondContact OE1-CG2 3.39Å; T638-T640 PolarHBondContact O-N 3.45Å
641	A	96.1	Very high	95	Very high	14 Å²	14	40.2 Å²	40.2	12%	0.116	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	155.6	174.3	0	0	0	0	0	111	L468 F631	L468-A641 HydrophobicContact CB-CB 4.41Å; L468-A641 HydrophobicContact CD2-CB 4.3Å; L468-A641 VanDerWaalsContact O-CB 3.3Å; L468-A641 WeakPolarHBondContact O-CB 3.43Å; F631-A641 HydrophobicContact CD2-CB 4.25Å; F631-A641 PolarHBondContact N-O 2.84Å
642	E	96.3	Very high	95	Very high	90 Å²	90	40.2 Å²	40.2	42%	0.421	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	140.1	179.6	-175.2	165.8	111.9	0	0	110.4	E628 F629 I630 R664	E628-E642 HydrophobicContact CB-CG 3.94Å; E628-E642 HydrophobicContact CG-CG 4.5Å; F629-E642 CarbonylContact O-C 3.57Å; F629-E642 WeakPolarHBondContact O-CA 3.22Å; I630-E642 HydrophobicContact CG2-CB 4.16Å; I630-E642 HydrophobicContact CG2-CG 3.84Å; I630-E642 WeakPolarHBondContact CG2-OE2 3.1Å; E642-R664 IonicContact OE1-NE 2.71Å; E642-R664 IonicContact OE2-CZ 3.23Å; E642-R664 IonicContact OE2-NE 2.72Å; E642-R664 PolarHBondContact OE2-NE 3.3Å; E642-R664 IonicContact OE2-NH2 3.75Å; E642-R664 PolarHBondContact OE2-NH2 2.87Å
643	V	96.3	Very high	95.1	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	115.8	-179.3	-179.7	0	0	0	0	109.6	L468 L475 F629 P645 V651	L468-V643 HydrophobicContact CD2-CG2 4Å; L475-V643 HydrophobicContact CD1-CG1 3.49Å; L475-V643 VanDerWaalsContact CD1-CG1 3.49Å; L475-V643 HydrophobicContact CD1-CG2 4.28Å; L475-V643 HydrophobicContact CD2-CG1 4.25Å; F629-V643 HydrophobicContact CB-CB 4.42Å; F629-V643 PolarHBondContact N-O 2.77Å; F629-V643 PolarHBondContact O-N 2.95Å; V643-P645 WeakPolarHBondContact O-CD 3.48Å; V643-V651 HydrophobicContact CB-CG2 4.16Å; V643-V651 HydrophobicContact CG1-CG2 3.69Å; V643-V651 HydrophobicContact CG2-CG2 4.17Å
644	H	96.4	Very high	95.2	Very high	92 Å²	92	35.3 Å²	35.3	43%	0.426	18%	0.181	S	C	.	.			trans	-73.2	125.5	167.5	-167.9	75.1	0	0	0	110	R649	H644-R649 VanDerWaalsContact O-CD 3.29Å; H644-R649 WeakPolarHBondContact O-CD 3.47Å; H644-R649 PolarHBondContact O-NH1 3.05Å
645	P	96.8	Very high	95.4	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	17%	0.171	C	C	.	.			trans	-60.4	159.3	172.8	-25.4	37.2	0	0	0	112.9	Y619 F624 V643	Y619-P645 HydrophobicContact CD1-CB 3.8Å; Y619-P645 HydrophobicContact CD1-CG 4.2Å; Y619-P645 HydrophobicContact CD2-CB 4Å; Y619-P645 HydrophobicContact CE1-CB 4.28Å; Y619-P645 HydrophobicContact CE1-CG 4.18Å; Y619-P645 HydrophobicContact CE2-CB 4.42Å; Y619-P645 HydrophobicContact CE2-CG 4.46Å; Y619-P645 HydrophobicContact CG-CB 3.68Å; Y619-P645 HydrophobicContact CG-CG 4.4Å; F624-P645 HydrophobicContact CE2-CG 4.31Å; F624-P645 HydrophobicContact CZ-CB 3.75Å; F624-P645 HydrophobicContact CZ-CG 3.85Å; V643-P645 WeakPolarHBondContact O-CD 3.48Å
646	R	95.9	Very high	95.5	Very high	84 Å²	84	32.1 Å²	32.1	32%	0.317	17%	0.165	S	C	.	.			trans	-167.4	166.5	162.1	58.8	174.3	178.7	178.4	-2.3	110.2	D477 Y619 N621 D622 G648 R649	D477-R646 IonicContact OD1-CZ 3.85Å; D477-R646 IonicContact OD1-NE 3.21Å; D477-R646 PolarHBondContact OD1-NE 3.21Å; D477-R646 IonicContact OD1-NH2 3.31Å; D477-R646 PolarHBondContact OD1-NH2 3.19Å; D477-R646 IonicContact OD2-CZ 2.71Å; D477-R646 IonicContact OD2-NE 2.78Å; D477-R646 IonicContact OD2-NH2 2.69Å; D477-R646 PolarHBondContact OD2-NH2 2.93Å; Y619-R646 CarbonylContact C-O 3.55Å; Y619-R646 WeakPolarHBondContact CB-O 3.32Å; N621-R646 WeakPolarHBondContact O-CA 3.43Å; D622-R646 HydrophobicContact CB-CB 4.09Å; D622-R646 WeakPolarHBondContact OD2-CB 3.42Å; R646-G648 PolarHBondContact O-N 2.92Å; R646-R649 HydrophobicContact CG-CB 3.77Å; R646-R649 WeakPolarHBondContact O-CB 3.35Å; R646-R649 PolarHBondContact O-N 3.3Å
647	C	97.3	Very high	95.7	Very high	23 Å²	23	37.2 Å²	37.2	16%	0.155	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	140.8	170.3	169.8	0	0	0	0	111.9	D482 C485 R649	D482-C647 PolarHBondContact OD1-SG 3.23Å; C485-C647 HydrophobicContact CB-CB 3.88Å; C485-C647 WeakPolarHBondContact CB-SG 3.39Å; C485-C647 WeakPolarHBondContact SG-CA 3.44Å; C485-C647 WeakPolarHBondContact SG-CB 3.37Å; C485-C647 CovalentContact SG-SG 2.03Å; C485-C647 PolarHBondContact SG-SG 2.8Å; C647-R649 PolarHBondContact O-N 2.9Å
648	G	96.1	Very high	95.8	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.01	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	0.3	173.3	0	0	0	0	0	115.1	D477 E478 V479 C485 Y619 R646	D477-G648 CarbonylContact C-O 3.47Å; E478-G648 PolarHBondContact N-O 2.85Å; V479-G648 WeakPolarHBondContact CB-O 3.25Å; V479-G648 PolarHBondContact N-O 2.62Å; C485-G648 PolarHBondContact SG-N 2.77Å; C485-G648 VanDerWaalsContact SG-N 3.4Å; Y619-G648 PolarHBondContact O-N 3.2Å; R646-G648 PolarHBondContact O-N 2.92Å
649	R	97.8	Very high	95.9	Very high	30 Å²	30	29.8 Å²	29.8	11%	0.113	15%	0.145	C	C	.	.			trans	-90.7	130.7	-179	176.3	164.7	-81.3	-167.6	-9.9	111.7	L475 L476 D477 L618 Y619 H644 R646 C647	L475-R649 HydrophobicContact CD1-CG 3.7Å; L476-R649 CarbonylContact O-C 3.55Å; L476-R649 VanDerWaalsContact O-CA 3.28Å; L476-R649 WeakPolarHBondContact O-CA 3.3Å; D477-R649 WeakPolarHBondContact OD1-CB 3.26Å; D477-R649 IonicContact OD1-CZ 2.63Å; D477-R649 IonicContact OD1-NE 2.91Å; D477-R649 PolarHBondContact OD1-NE 3.47Å; D477-R649 IonicContact OD1-NH2 2.96Å; D477-R649 PolarHBondContact OD1-NH2 2.89Å; D477-R649 IonicContact OD2-CZ 3.72Å; D477-R649 IonicContact OD2-NE 3.5Å; D477-R649 IonicContact OD2-NH2 3.92Å; D477-R649 PolarHBondContact OD2-NH2 3.21Å; L618-R649 WeakPolarHBondContact CA-O 3.39Å; Y619-R649 HydrophobicContact CD2-CB 4.38Å; Y619-R649 HydrophobicContact CD2-CG 4.12Å; Y619-R649 PolarHBondContact N-O 3.49Å; H644-R649 VanDerWaalsContact O-CD 3.29Å; H644-R649 WeakPolarHBondContact O-CD 3.47Å; H644-R649 PolarHBondContact O-NH1 3.05Å; R646-R649 HydrophobicContact CG-CB 3.77Å; R646-R649 WeakPolarHBondContact O-CB 3.35Å; R646-R649 PolarHBondContact O-N 3.3Å; C647-R649 PolarHBondContact O-N 2.9Å
650	V	98.1	Very high	95.9	Very high	1 Å²	1	27 Å²	27	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.1	171.8	178.1	0	0	0	0	110.5	L476 V479 V547 L551 A616 I617 L618	L476-V650 HydrophobicContact CB-CB 4.23Å; L476-V650 HydrophobicContact CD1-CB 4.25Å; L476-V650 HydrophobicContact CD1-CG1 4.34Å; L476-V650 PolarHBondContact N-O 3.45Å; L476-V650 PolarHBondContact O-N 3.45Å; V479-V650 HydrophobicContact CB-CG2 3.91Å; V479-V650 HydrophobicContact CG1-CG2 3.92Å; V479-V650 HydrophobicContact CG2-CB 4.19Å; V479-V650 HydrophobicContact CG2-CG2 3.73Å; V547-V650 HydrophobicContact CG1-CG1 4.08Å; V547-V650 HydrophobicContact CG2-CG2 4.13Å; L551-V650 HydrophobicContact CD1-CG1 4.33Å; A616-V650 HydrophobicContact CB-CG1 4.17Å; I617-V650 VanDerWaalsContact O-CA 3.32Å; I617-V650 WeakPolarHBondContact O-CA 3.29Å; L618-V650 HydrophobicContact CB-CG2 3.93Å; L618-V650 HydrophobicContact CD1-CG2 3.65Å; L618-V650 HydrophobicContact CG-CG2 4.34Å
651	V	97.9	Very high	96.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	115.9	161.3	-179.9	0	0	0	0	107.1	V474 L475 A616 I617 Y619 F629 F631 V643 F653	V474-V651 WeakPolarHBondContact O-CA 3.35Å; L475-V651 HydrophobicContact CD1-CG2 3.68Å; A616-V651 CarbonylContact C-O 3.57Å; A616-V651 VanDerWaalsContact CA-O 3.28Å; A616-V651 WeakPolarHBondContact CA-O 3.31Å; I617-V651 PolarHBondContact N-O 3.47Å; I617-V651 PolarHBondContact O-N 2.72Å; Y619-V651 HydrophobicContact CE2-CG2 3.84Å; F629-V651 HydrophobicContact CD1-CG1 4.34Å; F629-V651 HydrophobicContact CE1-CG1 4.01Å; F629-V651 HydrophobicContact CZ-CG1 4.41Å; F631-V651 HydrophobicContact CE2-CG1 4.11Å; F631-V651 HydrophobicContact CZ-CG1 3.86Å; V643-V651 HydrophobicContact CB-CG2 4.16Å; V643-V651 HydrophobicContact CG1-CG2 3.69Å; V643-V651 HydrophobicContact CG2-CG2 4.17Å; V651-F653 HydrophobicContact CG1-CD1 3.98Å; V651-F653 HydrophobicContact CG1-CE1 4.42Å
652	G	97.3	Very high	96.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.8	175.5	0	0	0	0	0	110.6	R473 V474 S615	R473-G652 CarbonylContact C-O 2.98Å; V474-G652 PolarHBondContact N-O 2.87Å; V474-G652 PolarHBondContact O-N 2.96Å; S615-G652 WeakPolarHBondContact O-CA 3.47Å
653	F	97.4	Very high	96.1	Very high	1 Å²	1	22 Å²	22	0%	0.004	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	159.6	-175.9	59.5	-79.6	0	0	0	113.8	H472 Y614 S615 F629 F631 V651 N659 H661	H472-F653 CarbonylContact O-C 3.59Å; H472-F653 WeakPolarHBondContact O-CA 3.46Å; Y614-F653 CarbonylContact C-O 3.23Å; Y614-F653 WeakPolarHBondContact CA-O 2.94Å; S615-F653 PolarHBondContact N-O 3.45Å; S615-F653 PolarHBondContact O-N 3.26Å; F629-F653 AromaticContact CZ-CE1 3.97Å; F629-F653 HydrophobicContact CZ-CE1 3.97Å; F629-F653 HydrophobicContact CZ-CZ 4.18Å; F631-F653 HydrophobicContact CE1-CB 4.11Å; F631-F653 HydrophobicContact CE1-CD1 4.41Å; F631-F653 HydrophobicContact CE1-CD2 4.26Å; F631-F653 HydrophobicContact CE1-CG 4.01Å; F631-F653 HydrophobicContact CZ-CB 4.09Å; F631-F653 HydrophobicContact CZ-CD1 4.27Å; F631-F653 HydrophobicContact CZ-CG 4.18Å; V651-F653 HydrophobicContact CG1-CD1 3.98Å; V651-F653 HydrophobicContact CG1-CE1 4.42Å; F653-N659 HydrophobicContact CD2-CB 3.81Å; F653-H661 AromaticContact CE2-CE1 3.41Å; F653-H661 VanDerWaalsContact CE2-CE1 3.41Å; F653-H661 WeakPolarHBondContact CE2-CE1 3.39Å; F653-H661 AromaticContact CE2-ND1 3.56Å; F653-H661 AromaticContact CZ-CE1 3.51Å; F653-H661 AromaticContact CZ-ND1 3.9Å; F653-H661 AromaticContact CZ-NE2 3.72Å
654	G	96.1	Very high	96.1	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.01	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	136.4	169.5	0	0	0	0	0	111.3	H472 D613 G656 N659	H472-G654 PolarHBondContact O-N 3.34Å; D613-G654 CarbonylContact O-C 3.58Å; D613-G654 WeakPolarHBondContact O-CA 3.36Å; G654-G656 PolarHBondContact O-N 3.35Å; G654-G656 VanDerWaalsContact O-N 3.1Å; G654-N659 PolarHBondContact N-ND2 2.94Å; G654-N659 WeakPolarHBondContact O-CB 3.15Å; G654-N659 PolarHBondContact O-ND2 2.97Å
655	A	95.1	Very high	96	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-75.3	5.5	-172	0	0	0	0	0	114.9	V590 D591 N592 R612 D613	V590-A655 WeakPolarHBondContact CG1-O 3.26Å; D591-A655 HydrophobicContact CB-CB 3.77Å; N592-A655 HydrophobicContact CB-CB 4.33Å; N592-A655 PolarHBondContact N-O 2.97Å; N592-A655 VanDerWaalsContact N-O 3.14Å; N592-A655 PolarHBondContact ND2-O 3.02Å; N592-A655 PolarHBondContact OD1-O 2.8Å; R612-A655 HydrophobicContact CB-CB 3.94Å; D613-A655 PolarHBondContact O-N 3.2Å
656	G	91.4	Very high	95.9	Very high	6 Å²	6	22.5 Å²	22.5	6%	0.062	10%	0.102	C	C	.	.	S	Bend	trans	-91.4	-174.3	-169.7	0	0	0	0	0	116.3	V590 G654 E658 N659	V590-G656 VanDerWaalsContact CG1-O 3.29Å; V590-G656 WeakPolarHBondContact CG1-O 3.33Å; G654-G656 PolarHBondContact O-N 3.35Å; G654-G656 VanDerWaalsContact O-N 3.1Å; G656-E658 VanDerWaalsContact CA-OE1 3.32Å; G656-E658 WeakPolarHBondContact CA-OE1 3.4Å; G656-E658 WeakPolarHBondContact CA-OE2 3.3Å; G656-E658 PolarHBondContact N-OE1 3.39Å; G656-E658 PolarHBondContact O-N 3.44Å; G656-N659 PolarHBondContact O-N 3.21Å
657	K	93.1	Very high	95.8	Very high	135 Å²	135	21.1 Å²	21.1	59%	0.587	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-18	-177.9	73.5	179.7	-179.7	175.6	0	114.9	C602 L634 N659 P660	C602-K657 HydrophobicContact CB-CB 3.64Å; C602-K657 WeakPolarHBondContact SG-CB 3.49Å; L634-K657 HydrophobicContact CD2-CB 4.47Å; K657-N659 VanDerWaalsContact C-N 3.32Å; K657-P660 WeakPolarHBondContact O-CD 3.31Å
658	E	92.5	Very high	95.7	Very high	59 Å²	59	25.1 Å²	25.1	28%	0.276	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-14.8	177.6	65.7	-73.9	171.2	0	0	113.5	R473 G656 P660	R473-E658 PolarHBondContact NH2-O 2.9Å; G656-E658 VanDerWaalsContact CA-OE1 3.32Å; G656-E658 WeakPolarHBondContact CA-OE1 3.4Å; G656-E658 WeakPolarHBondContact CA-OE2 3.3Å; G656-E658 PolarHBondContact N-OE1 3.39Å; G656-E658 PolarHBondContact O-N 3.44Å; E658-P660 VanDerWaalsContact C-CD 3.45Å
659	N	96.3	Very high	95.6	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.134	C	C	.	.			trans	-127.7	55.5	-178.9	-64.9	-41.6	0	0	0	114.7	S471 H472 R473 F631 F653 G654 G656 K657 H661	S471-N659 PolarHBondContact O-ND2 2.91Å; S471-N659 PolarHBondContact O-OD1 3.08Å; H472-N659 PolarHBondContact O-ND2 3.3Å; R473-N659 VanDerWaalsContact CG-OD1 3.26Å; R473-N659 WeakPolarHBondContact CG-OD1 3.19Å; R473-N659 PolarHBondContact NE-OD1 3.08Å; R473-N659 PolarHBondContact NH2-OD1 3.45Å; F631-N659 HydrophobicContact CD1-CB 4.34Å; F631-N659 HydrophobicContact CE1-CB 4.12Å; F653-N659 HydrophobicContact CD2-CB 3.81Å; G654-N659 PolarHBondContact N-ND2 2.94Å; G654-N659 WeakPolarHBondContact O-CB 3.15Å; G654-N659 PolarHBondContact O-ND2 2.97Å; G656-N659 PolarHBondContact O-N 3.21Å; K657-N659 VanDerWaalsContact C-N 3.32Å; N659-H661 PolarHBondContact O-N 3.46Å; N659-H661 PolarHBondContact O-ND1 2.9Å
660	P	96.3	Very high	95.5	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.019	14%	0.138	C	C	.	.			trans	-57.5	132.2	162.7	-18.2	32.7	0	0	0	110.2	V588 H589 V590 L595 F631 T632 L634 K657 E658	V588-P660 HydrophobicContact CG1-CB 4.32Å; H589-P660 WeakPolarHBondContact O-CA 3.26Å; V590-P660 HydrophobicContact CG2-CB 3.99Å; V590-P660 HydrophobicContact CG2-CG 3.95Å; L595-P660 HydrophobicContact CD2-CB 4.3Å; F631-P660 CarbonylContact C-O 3.58Å; F631-P660 WeakPolarHBondContact CA-O 3.2Å; T632-P660 PolarHBondContact N-O 2.77Å; L634-P660 HydrophobicContact CD2-CG 3.88Å; L634-P660 HydrophobicContact CG-CG 4.28Å; K657-P660 WeakPolarHBondContact O-CD 3.31Å; E658-P660 VanDerWaalsContact C-CD 3.45Å
661	H	97.5	Very high	95.5	Very high	7 Å²	7	27.9 Å²	27.9	3%	0.032	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	158.5	-174.1	69	-86.1	0	0	0	113.6	V588 H589 D591 F629 I630 F631 F653 N659	V588-H661 CarbonylContact C-O 3.38Å; V588-H661 VanDerWaalsContact CA-O 3.29Å; V588-H661 WeakPolarHBondContact CA-O 3.06Å; H589-H661 AromaticContact CE1-CD2 3.68Å; H589-H661 AromaticContact CE1-CE1 3.74Å; H589-H661 AromaticContact CE1-NE2 3.14Å; H589-H661 PolarHBondContact CE1-NE2 3.5Å; H589-H661 PolarHBondContact N-O 2.76Å; H589-H661 AromaticContact ND1-NE2 3.83Å; H589-H661 PolarHBondContact ND1-O 2.77Å; H589-H661 AromaticContact NE2-NE2 3.81Å; H589-H661 PolarHBondContact O-N 2.95Å; D591-H661 IonicContact OD2-CE1 2.64Å; D591-H661 PolarHBondContact OD2-CE1 3.35Å; D591-H661 IonicContact OD2-NE2 2.92Å; F629-H661 HydrophobicContact CE1-CB 3.98Å; F629-H661 HydrophobicContact CE2-CB 4.3Å; F629-H661 AromaticContact CE2-CD2 3.35Å; F629-H661 WeakPolarHBondContact CE2-CD2 3.3Å; F629-H661 HydrophobicContact CZ-CB 3.59Å; F629-H661 AromaticContact CZ-CD2 3.35Å; F629-H661 WeakPolarHBondContact CZ-CD2 3.33Å; F629-H661 AromaticContact CZ-CG 3.55Å; I630-H661 CarbonylContact O-C 3.54Å; I630-H661 WeakPolarHBondContact O-CA 3.46Å; I630-H661 VanDerWaalsContact O-CB 3.29Å; I630-H661 WeakPolarHBondContact O-CB 3.46Å; F631-H661 HydrophobicContact CD1-CB 3.98Å; F631-H661 HydrophobicContact CE1-CB 4.43Å; F653-H661 AromaticContact CE2-CE1 3.41Å; F653-H661 VanDerWaalsContact CE2-CE1 3.41Å; F653-H661 WeakPolarHBondContact CE2-CE1 3.39Å; F653-H661 AromaticContact CE2-ND1 3.56Å; F653-H661 AromaticContact CZ-CE1 3.51Å; F653-H661 AromaticContact CZ-ND1 3.9Å; F653-H661 AromaticContact CZ-NE2 3.72Å; N659-H661 PolarHBondContact O-N 3.46Å; N659-H661 PolarHBondContact O-ND1 2.9Å
662	G	96.4	Very high	95.4	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	-173.6	178.3	0	0	0	0	0	112.2	I630	I630-G662 WeakPolarHBondContact CG1-O 3.41Å; I630-G662 PolarHBondContact N-O 3.05Å; I630-G662 PolarHBondContact O-N 3.02Å
663	V	96.9	Very high	95.5	Very high	13 Å²	13	28 Å²	28	8%	0.079	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	126.8	-178.4	-174.6	0	0	0	0	110.1	L584 S585 H586 G627 E628 F629	L584-V663 CarbonylContact C-O 3.56Å; L584-V663 WeakPolarHBondContact CB-O 3.34Å; S585-V663 PolarHBondContact N-O 2.68Å; H586-V663 HydrophobicContact CB-CB 3.91Å; H586-V663 HydrophobicContact CB-CG2 3.97Å; H586-V663 PolarHBondContact N-O 3.49Å; H586-V663 VanDerWaalsContact N-O 3.16Å; H586-V663 PolarHBondContact O-N 3.16Å; G627-V663 WeakPolarHBondContact O-CG1 3.44Å; E628-V663 CarbonylContact O-C 3.48Å; E628-V663 WeakPolarHBondContact O-CA 3.3Å; F629-V663 HydrophobicContact CD2-CG2 4.07Å
664	R	95.8	Very high	95.5	Very high	93 Å²	93	28 Å²	28	35%	0.351	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	154.5	175	-64.2	-168	-178.4	-84.1	1.7	111.3	S585 G627 E628 I630 E642 V666	S585-R664 WeakPolarHBondContact CB-O 3.27Å; G627-R664 WeakPolarHBondContact CA-O 3.5Å; E628-R664 HydrophobicContact CB-CB 4.47Å; E628-R664 HydrophobicContact CB-CG 4.23Å; E628-R664 PolarHBondContact O-N 3.2Å; E628-R664 WeakPolarHBondContact OE2-CB 3.38Å; E628-R664 WeakPolarHBondContact OE2-CD 3.36Å; I630-R664 HydrophobicContact CG2-CG 4.37Å; E642-R664 IonicContact OE1-NE 2.71Å; E642-R664 IonicContact OE2-CZ 3.23Å; E642-R664 IonicContact OE2-NE 2.72Å; E642-R664 PolarHBondContact OE2-NE 3.3Å; E642-R664 IonicContact OE2-NH2 3.75Å; E642-R664 PolarHBondContact OE2-NH2 2.87Å; R664-V666 PolarHBondContact O-N 3.29Å
665	A	94.6	Very high	95.5	Very high	15 Å²	15	28.4 Å²	28.4	12%	0.124	15%	0.145	C	C	.	.			trans	-49.5	136.3	175.4	0	0	0	0	0	112	G626 G627 T667	G626-A665 WeakPolarHBondContact CA-O 3.42Å; G627-A665 PolarHBondContact N-O 3.03Å; A665-T667 HydrophobicContact CB-CG2 4.43Å
666	V	94.9	Very high	95.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	112.4	164.3	-177.6	0	0	0	0	106.7	E513 A573 Q578 R581 F624 R664 R671	E513-V666 HydrophobicContact CG-CB 4.5Å; E513-V666 PolarHBondContact OE1-N 2.7Å; A573-V666 HydrophobicContact CB-CG1 4.45Å; Q578-V666 PolarHBondContact OE1-O 2.04Å; R581-V666 PolarHBondContact NH1-O 2.93Å; R581-V666 VanDerWaalsContact NH1-O 3.08Å; F624-V666 HydrophobicContact CB-CG1 4.49Å; F624-V666 HydrophobicContact CD2-CG1 4.46Å; R664-V666 PolarHBondContact O-N 3.29Å; V666-R671 HydrophobicContact CG2-CB 4.06Å
667	T	93.2	Very high	96	Very high	54 Å²	54	30.3 Å²	30.3	33%	0.331	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-15	-173.4	54.1	0	0	0	0	113.3	Q578 E625 A665	Q578-T667 WeakPolarHBondContact CG-O 2.93Å; E625-T667 WeakPolarHBondContact CB-OG1 3.36Å; E625-T667 PolarHBondContact O-N 2.88Å; E625-T667 PolarHBondContact O-OG1 2.85Å; A665-T667 HydrophobicContact CB-CG2 4.43Å
668	K	94.6	Very high	96.2	Very high	107 Å²	107	23.9 Å²	23.9	47%	0.465	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	147.7	179.9	-168.7	-172.2	-177.7	177.1	0	110.8	F624 E625	F624-K668 WeakPolarHBondContact CA-O 3.07Å; F624-K668 VanDerWaalsContact CB-O 3.23Å; F624-K668 WeakPolarHBondContact CB-O 3.3Å; E625-K668 HydrophobicContact CB-CB 3.95Å; E625-K668 HydrophobicContact CG-CB 4.2Å; E625-K668 HydrophobicContact CG-CD 4.02Å; E625-K668 PolarHBondContact N-O 2.92Å; E625-K668 VanDerWaalsContact N-O 3.08Å; E625-K668 WeakPolarHBondContact OE1-CD 3.19Å; E625-K668 WeakPolarHBondContact OE1-CE 3.3Å; E625-K668 IonicContact OE1-NZ 2.7Å; E625-K668 PolarHBondContact OE1-NZ 2.95Å; E625-K668 WeakPolarHBondContact OE2-CD 3.46Å; E625-K668 IonicContact OE2-NZ 2.6Å
669	G	94.8	Very high	96.3	Very high	34 Å²	34	21.1 Å²	21.1	35%	0.351	11%	0.109	S	C	.	.	S	Bend	trans	78.8	-158.7	176.4	0	0	0	0	0	113.5	S572 A573	S572-G669 WeakPolarHBondContact CA-O 3.1Å; A573-G669 PolarHBondContact N-O 3.31Å
670	Q	95.5	Very high	96.1	Very high	40 Å²	40	24 Å²	24	19%	0.187	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	131.5	-179.8	-179.2	179.7	76.8	0	0	110.3	N493 C570 R571 S572 N621 F624 C672	N493-Q670 PolarHBondContact ND2-OE1 2.75Å; N493-Q670 PolarHBondContact OD1-NE2 2.83Å; N493-Q670 PolarHBondContact OD1-OE1 2.87Å; C570-Q670 HydrophobicContact CB-CG 4Å; R571-Q670 CarbonylContact O-C 3.31Å; R571-Q670 WeakPolarHBondContact O-CA 3.44Å; S572-Q670 WeakPolarHBondContact OG-CG 3.48Å; S572-Q670 PolarHBondContact OG-NE2 3.12Å; S572-Q670 VanDerWaalsContact OG-NE2 3.13Å; N621-Q670 PolarHBondContact ND2-O 2.94Å; F624-Q670 WeakPolarHBondContact CD1-O 3.14Å; Q670-C672 PolarHBondContact OE1-SG 2.04Å
671	R	96.9	Very high	95.7	Very high	17 Å²	17	26.7 Å²	26.7	6%	0.064	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118.7	176.4	171.7	-178.7	-169.1	-76.7	14.5	109.9	C570 R571 Y619 F624 G627 V666	C570-R671 CarbonylContact C-O 3.55Å; C570-R671 VanDerWaalsContact CA-O 3.3Å; C570-R671 WeakPolarHBondContact CA-O 2.99Å; R571-R671 PolarHBondContact N-O 3.45Å; R571-R671 PolarHBondContact O-N 2.96Å; Y619-R671 VanDerWaalsContact CE1-NH2 3.31Å; Y619-R671 PolarHBondContact OH-NH2 2.86Å; F624-R671 HydrophobicContact CD1-CB 3.89Å; F624-R671 HydrophobicContact CD1-CG 4.46Å; F624-R671 HydrophobicContact CD2-CB 4.05Å; F624-R671 HydrophobicContact CD2-CG 4.49Å; F624-R671 HydrophobicContact CE1-CB 3.71Å; F624-R671 HydrophobicContact CE1-CG 3.78Å; F624-R671 HydrophobicContact CE2-CB 3.89Å; F624-R671 HydrophobicContact CE2-CG 3.83Å; F624-R671 HydrophobicContact CG-CB 4.04Å; F624-R671 HydrophobicContact CZ-CB 3.7Å; F624-R671 HydrophobicContact CZ-CG 3.42Å; F624-R671 VanDerWaalsContact CZ-CG 3.42Å; G627-R671 VanDerWaalsContact O-CZ 3.31Å; G627-R671 PolarHBondContact O-NE 2.81Å; G627-R671 PolarHBondContact O-NH2 2.96Å; V666-R671 HydrophobicContact CG2-CB 4.06Å
672	C	97.4	Very high	95.2	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	139.6	-179.3	-66.4	0	0	0	0	112.4	Q489 V569 C570 L620 N621 Q670	Q489-C672 HydrophobicContact CG-CB 4.4Å; V569-C672 CarbonylContact O-C 3.49Å; V569-C672 WeakPolarHBondContact O-CA 3.44Å; C570-C672 HydrophobicContact CB-CB 4.2Å; C570-C672 WeakPolarHBondContact CB-SG 3.35Å; C570-C672 WeakPolarHBondContact SG-CB 3.49Å; C570-C672 CovalentContact SG-SG 2.04Å; C570-C672 PolarHBondContact SG-SG 2.72Å; L620-C672 HydrophobicContact CB-CB 4.21Å; L620-C672 HydrophobicContact CD1-CB 4.16Å; L620-C672 PolarHBondContact N-O 2.88Å; N621-C672 PolarHBondContact OD1-N 2.97Å; N621-C672 PolarHBondContact OD1-O 2.76Å; Q670-C672 PolarHBondContact OE1-SG 2.04Å
673	A	97.9	Very high	94.6	Very high	2 Å²	2	34.8 Å²	34.8	2%	0.017	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	154.8	-179.1	0	0	0	0	0	111.8	V569 I617 L618 Y619	V569-A673 HydrophobicContact CG2-CB 4.43Å; V569-A673 WeakPolarHBondContact CG2-O 3.31Å; V569-A673 PolarHBondContact N-O 3.2Å; V569-A673 PolarHBondContact O-N 3.47Å; V569-A673 VanDerWaalsContact O-O 3.09Å; I617-A673 HydrophobicContact CG2-CB 3.83Å; L618-A673 CarbonylContact O-C 3.57Å; L618-A673 WeakPolarHBondContact O-CA 3.46Å; L618-A673 WeakPolarHBondContact O-CB 3.39Å; Y619-A673 HydrophobicContact CD1-CB 3.82Å; Y619-A673 HydrophobicContact CE1-CB 4.08Å
674	V	98.1	Very high	94	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	117.9	161.6	175	0	0	0	0	108	L488 F540 L568 I617 L618 L676	L488-V674 HydrophobicContact CD1-CG2 4.28Å; F540-V674 HydrophobicContact CD2-CG1 4.48Å; F540-V674 HydrophobicContact CD2-CG2 4.13Å; F540-V674 HydrophobicContact CE2-CG1 3.77Å; F540-V674 HydrophobicContact CE2-CG2 3.93Å; L568-V674 HydrophobicContact CB-CG2 4.25Å; L568-V674 HydrophobicContact CD1-CG2 3.76Å; I617-V674 WeakPolarHBondContact CA-O 3.19Å; L618-V674 HydrophobicContact CB-CB 4.27Å; L618-V674 PolarHBondContact N-O 3.12Å; L618-V674 PolarHBondContact O-N 2.9Å; V674-L676 HydrophobicContact CG1-CD1 4.42Å; V674-L676 HydrophobicContact CG1-CD2 3.55Å; V674-L676 HydrophobicContact CG1-CG 3.86Å
675	A	97.3	Very high	93.7	Very high	9 Å²	9	36.6 Å²	36.6	7%	0.074	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.6	172.8	0	0	0	0	0	109.7	H567 W677	H567-A675 PolarHBondContact N-O 2.84Å; H567-A675 PolarHBondContact O-N 3.25Å; A675-W677 HydrophobicContact CB-CE3 4.42Å; A675-W677 HydrophobicContact CB-CH2 3.46Å; A675-W677 VanDerWaalsContact CB-CH2 3.46Å; A675-W677 HydrophobicContact CB-CZ2 4.04Å; A675-W677 HydrophobicContact CB-CZ3 3.66Å
676	L	98.2	Very high	93.6	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.3	-176.8	-55.5	175.9	0	0	0	109.2	V547 F563 S615 A616 V674 F678	V547-L676 HydrophobicContact CB-CD1 3.82Å; V547-L676 HydrophobicContact CG1-CD1 3.79Å; V547-L676 HydrophobicContact CG2-CD1 4.45Å; F563-L676 HydrophobicContact CD1-CD2 4.38Å; F563-L676 HydrophobicContact CE1-CD1 4.22Å; F563-L676 HydrophobicContact CE1-CD2 4.04Å; S615-L676 CarbonylContact C-O 3.55Å; S615-L676 WeakPolarHBondContact CA-O 3.29Å; A616-L676 HydrophobicContact CB-CB 4.44Å; A616-L676 PolarHBondContact N-O 2.86Å; A616-L676 PolarHBondContact O-N 3.39Å; V674-L676 HydrophobicContact CG1-CD1 4.42Å; V674-L676 HydrophobicContact CG1-CD2 3.55Å; V674-L676 HydrophobicContact CG1-CG 3.86Å; L676-F678 HydrophobicContact CB-CE2 3.83Å; L676-F678 HydrophobicContact CB-CZ 3.74Å; L676-F678 HydrophobicContact CD1-CZ 4.01Å
677	W	98	Very high	93.2	Very high	45 Å²	45	44 Å²	44	17%	0.17	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.9	175.8	-65.6	-85.6	0	0	0	109.9	S564 Y565 H567 D591 R612 A675	S564-W677 PolarHBondContact N-O 3.36Å; Y565-W677 AromaticContact CD1-CE3 3.62Å; Y565-W677 HydrophobicContact CD1-CE3 3.62Å; Y565-W677 HydrophobicContact CD1-CH2 4.41Å; Y565-W677 AromaticContact CD1-CZ3 3.47Å; Y565-W677 HydrophobicContact CD1-CZ3 3.47Å; Y565-W677 VanDerWaalsContact CD1-CZ3 3.47Å; Y565-W677 HydrophobicContact CE1-CZ3 4.04Å; Y565-W677 HydrophobicContact CG-CE3 4.21Å; Y565-W677 HydrophobicContact CG-CZ3 4.41Å; Y565-W677 PolarHBondContact N-O 2.93Å; Y565-W677 PolarHBondContact O-N 3.09Å; H567-W677 HydrophobicContact CB-CZ3 4.14Å; D591-W677 VanDerWaalsContact CG-NE1 3.31Å; D591-W677 PolarHBondContact OD1-NE1 2.81Å; D591-W677 PolarHBondContact OD2-NE1 3.03Å; R612-W677 HydrophobicContact CG-CB 4.46Å; R612-W677 VanDerWaalsContact CZ-CD1 3.5Å; R612-W677 VanDerWaalsContact CZ-CG 3.41Å; R612-W677 VanDerWaalsContact NH1-NE1 3.16Å; A675-W677 HydrophobicContact CB-CE3 4.42Å; A675-W677 HydrophobicContact CB-CH2 3.46Å; A675-W677 VanDerWaalsContact CB-CH2 3.46Å; A675-W677 HydrophobicContact CB-CZ2 4.04Å; A675-W677 HydrophobicContact CB-CZ3 3.66Å
678	F	97.7	Very high	92.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	154	-172.3	-56.5	-78.4	0	0	0	112.6	R548 L551 L561 Y562 F563 R612 D613 Y614 A616 L676	R548-F678 HydrophobicContact CB-CE1 3.82Å; R548-F678 HydrophobicContact CB-CZ 4.07Å; R548-F678 HydrophobicContact CG-CD1 4.43Å; R548-F678 HydrophobicContact CG-CE1 3.86Å; R548-F678 HydrophobicContact CG-CZ 4.47Å; L551-F678 HydrophobicContact CD2-CD2 4.5Å; L551-F678 HydrophobicContact CD2-CE2 4.2Å; L561-F678 HydrophobicContact CB-CB 4.02Å; L561-F678 HydrophobicContact CB-CD1 3.81Å; L561-F678 HydrophobicContact CB-CG 4.05Å; L561-F678 HydrophobicContact CD1-CB 4.26Å; L561-F678 HydrophobicContact CD1-CD1 4.36Å; L561-F678 HydrophobicContact CD1-CD2 4.2Å; L561-F678 HydrophobicContact CD1-CG 4.04Å; L561-F678 HydrophobicContact CD2-CB 3.92Å; L561-F678 HydrophobicContact CG-CB 4.29Å; L561-F678 HydrophobicContact CG-CG 4.45Å; Y562-F678 CarbonylContact O-C 3.56Å; Y562-F678 VanDerWaalsContact O-CA 3.24Å; Y562-F678 WeakPolarHBondContact O-CA 3.18Å; F563-F678 HydrophobicContact CD1-CD1 4.22Å; F563-F678 AromaticContact CD1-CE1 3.64Å; F563-F678 HydrophobicContact CD1-CE1 3.64Å; F563-F678 HydrophobicContact CD1-CZ 4.4Å; F563-F678 HydrophobicContact CD2-CE1 4.31Å; F563-F678 AromaticContact CE1-CE1 3.51Å; F563-F678 HydrophobicContact CE1-CE1 3.51Å; F563-F678 HydrophobicContact CE1-CZ 4.03Å; F563-F678 HydrophobicContact CE2-CE1 4.21Å; F563-F678 HydrophobicContact CG-CD1 4.31Å; F563-F678 HydrophobicContact CG-CE1 4.05Å; F563-F678 AromaticContact CZ-CE1 3.82Å; F563-F678 HydrophobicContact CZ-CE1 3.82Å; F563-F678 HydrophobicContact CZ-CZ 4.48Å; R612-F678 WeakPolarHBondContact CA-O 3.28Å; D613-F678 PolarHBondContact N-O 3.07Å; Y614-F678 PolarHBondContact N-O 2.76Å; Y614-F678 PolarHBondContact O-N 2.92Å; A616-F678 HydrophobicContact CB-CE2 3.95Å; L676-F678 HydrophobicContact CB-CE2 3.83Å; L676-F678 HydrophobicContact CB-CZ 3.74Å; L676-F678 HydrophobicContact CD1-CZ 4.01Å
679	T	93.2	Very high	92.6	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	152.2	175	-177.5	0	0	0	0	109.9	Y562 H611 D613 D681 H684	Y562-T679 PolarHBondContact N-O 2.99Å; Y562-T679 PolarHBondContact O-N 3.37Å; H611-T679 VanDerWaalsContact O-CB 3.22Å; H611-T679 WeakPolarHBondContact O-CB 3.19Å; H611-T679 PolarHBondContact O-OG1 2.92Å; D613-T679 WeakPolarHBondContact OD2-CA 3.49Å; D613-T679 PolarHBondContact OD2-OG1 2.82Å; T679-D681 VanDerWaalsContact C-N 3.33Å; T679-D681 WeakPolarHBondContact CG2-O 3.47Å; T679-D681 PolarHBondContact OG1-N 3.44Å; T679-H684 HydrophobicContact CG2-CB 3.98Å
680	L	92.3	Very high	92.3	Very high	62 Å²	62	42.5 Å²	42.5	33%	0.325	21%	0.214	S	C	.	.	S	Bend	trans	-88.3	-5.6	172.1	-61.5	169.6	0	0	0	112	T559 L561 D613	T559-L680 HydrophobicContact CG2-CB 4.37Å; T559-L680 HydrophobicContact CG2-CD2 4.21Å; L561-L680 HydrophobicContact CD2-CD2 3.88Å; D613-L680 HydrophobicContact CB-CD1 4.09Å; D613-L680 HydrophobicContact CB-CG 3.97Å; D613-L680 PolarHBondContact OD2-N 3.22Å
681	D	87.7	Confident	91.9	Very high	58 Å²	58	45.3 Å²	45.3	31%	0.31	23%	0.227	S	C	.	.			trans	-102.7	111.6	-179.4	177.3	1.6	0	0	0	111.2	T679 T683 H684	T679-D681 VanDerWaalsContact C-N 3.33Å; T679-D681 WeakPolarHBondContact CG2-O 3.47Å; T679-D681 PolarHBondContact OG1-N 3.44Å; D681-T683 PolarHBondContact O-N 3.36Å; D681-T683 VanDerWaalsContact O-N 3.11Å; D681-T683 WeakPolarHBondContact OD1-CB 3.08Å; D681-T683 WeakPolarHBondContact OD1-CG2 3.37Å; D681-T683 PolarHBondContact OD1-N 3.28Å; D681-T683 PolarHBondContact OD1-OG1 3.46Å; D681-T683 PolarHBondContact OD2-OG1 2.86Å; D681-H684 PolarHBondContact O-N 2.91Å; D681-H684 VanDerWaalsContact O-N 3.12Å; D681-H684 IonicContact OD2-CE1 2.73Å; D681-H684 PolarHBondContact OD2-CE1 3.45Å; D681-H684 IonicContact OD2-ND1 3.69Å; D681-H684 PolarHBondContact OD2-ND1 3.4Å
682	P	88.4	Confident	91.5	Very high	70 Å²	70	44.5 Å²	44.5	46%	0.455	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-63.3	-17.5	-179	25	-33.7	0	0	0	114.1	Y562 H684 E685	Y562-P682 HydrophobicContact CD1-CB 4.13Å; Y562-P682 HydrophobicContact CD2-CB 4.12Å; Y562-P682 HydrophobicContact CE1-CB 3.84Å; Y562-P682 HydrophobicContact CE2-CB 3.84Å; Y562-P682 HydrophobicContact CE2-CG 4.2Å; Y562-P682 HydrophobicContact CG-CB 4.26Å; P682-H684 PolarHBondContact O-N 2.73Å; P682-E685 PolarHBondContact O-N 3.01Å
683	T	82.5	Confident	91.2	Very high	107 Å²	107	47.7 Å²	47.7	66%	0.656	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-69.1	-16.1	177.4	67.7	0	0	0	0	113	D681	D681-T683 PolarHBondContact O-N 3.36Å; D681-T683 VanDerWaalsContact O-N 3.11Å; D681-T683 WeakPolarHBondContact OD1-CB 3.08Å; D681-T683 WeakPolarHBondContact OD1-CG2 3.37Å; D681-T683 PolarHBondContact OD1-N 3.28Å; D681-T683 PolarHBondContact OD1-OG1 3.46Å; D681-T683 PolarHBondContact OD2-OG1 2.86Å
684	H	84.6	Confident	90.7	Very high	79 Å²	79	52 Å²	52	37%	0.366	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-105.6	18.9	-179.8	-68.1	90	0	0	0	113.6	H611 T679 D681 P682	H611-H684 HydrophobicContact CB-CB 4.34Å; H611-H684 VanDerWaalsContact CD2-CB 3.41Å; H611-H684 WeakPolarHBondContact CD2-CB 3.25Å; H611-H684 AromaticContact CD2-CD2 3.72Å; H611-H684 AromaticContact CD2-CG 3.68Å; H611-H684 AromaticContact CG-CD2 3.43Å; H611-H684 VanDerWaalsContact CG-CD2 3.43Å; H611-H684 AromaticContact CG-CG 3.69Å; H611-H684 AromaticContact ND1-CD2 3.79Å; T679-H684 HydrophobicContact CG2-CB 3.98Å; D681-H684 PolarHBondContact O-N 2.91Å; D681-H684 VanDerWaalsContact O-N 3.12Å; D681-H684 IonicContact OD2-CE1 2.73Å; D681-H684 PolarHBondContact OD2-CE1 3.45Å; D681-H684 IonicContact OD2-ND1 3.69Å; D681-H684 PolarHBondContact OD2-ND1 3.4Å; P682-H684 PolarHBondContact O-N 2.73Å
685	E	91.1	Very high	90	Very high	66 Å²	66	53.3 Å²	53.3	31%	0.308	27%	0.268	S	S	.	.			trans	-69.7	145.5	178.2	-174	163.1	-131.5	0	0	113.9	F563 P682 K687 I690	F563-E685 CarbonylContact O-C 3.51Å; F563-E685 WeakPolarHBondContact O-CA 3.44Å; P682-E685 PolarHBondContact O-N 3.01Å; E685-K687 PolarHBondContact O-N 3.37Å; E685-I690 HydrophobicContact CG-CD1 4.34Å
686	E	91.3	Very high	89.5	Confident	13 Å²	13	53 Å²	53	6%	0.061	27%	0.265	C	S	.	.			trans	-65.1	92.2	-179.6	-175.4	176.3	-150.9	0	0	111.4	F563 Y565 S566 E688 R689 I690	F563-E686 HydrophobicContact CB-CB 4.23Å; F563-E686 VanDerWaalsContact O-CB 3.31Å; F563-E686 WeakPolarHBondContact O-CB 3.46Å; F563-E686 PolarHBondContact O-N 2.88Å; Y565-E686 WeakPolarHBondContact CA-OE1 3.06Å; Y565-E686 WeakPolarHBondContact CD2-OE1 3.33Å; S566-E686 VanDerWaalsContact CB-OE2 3.24Å; S566-E686 WeakPolarHBondContact CB-OE2 3.38Å; S566-E686 VanDerWaalsContact N-CD 3.3Å; S566-E686 PolarHBondContact N-OE1 3.48Å; S566-E686 PolarHBondContact N-OE2 2.88Å; S566-E686 PolarHBondContact OG-OE2 2.03Å; E686-E688 HydrophobicContact CG-CB 4.36Å; E686-E688 PolarHBondContact O-N 3.49Å; E686-E688 VanDerWaalsContact O-N 3.11Å; E686-R689 HydrophobicContact CB-CB 3.95Å; E686-R689 HydrophobicContact CG-CB 3.85Å; E686-R689 WeakPolarHBondContact O-CA 2.99Å; E686-R689 VanDerWaalsContact O-CB 3.25Å; E686-R689 WeakPolarHBondContact O-CB 3.1Å; E686-R689 PolarHBondContact O-N 3.06Å; E686-I690 PolarHBondContact O-N 3.34Å
687	K	87.2	Confident	88.8	Confident	156 Å²	156	56.7 Å²	56.7	68%	0.678	29%	0.285	S	S	*	.	H	α-helix	trans	-55.4	-30.1	-179.7	-62.4	179.6	-177.4	175.9	0	113.9	E685 R689 I690 Q691	E685-K687 PolarHBondContact O-N 3.37Å; K687-R689 VanDerWaalsContact C-N 3.33Å; K687-I690 PolarHBondContact O-N 3.08Å; K687-Q691 WeakPolarHBondContact O-CG 3.36Å; K687-Q691 PolarHBondContact O-N 3.36Å
688	E	85.2	Confident	87.7	Confident	82 Å²	82	59.9 Å²	59.9	38%	0.383	30%	0.303	S	S	.	.	H	α-helix	trans	-63.3	-37	171.4	-76.7	-162.3	-164	0	0	112.5	T519 L521 E686 Q691 A692	T519-E688 WeakPolarHBondContact CB-OE2 3.47Å; T519-E688 PolarHBondContact OG1-OE2 2.99Å; L521-E688 HydrophobicContact CB-CB 3.94Å; L521-E688 HydrophobicContact CB-CG 4.43Å; L521-E688 HydrophobicContact CD2-CB 3.91Å; L521-E688 HydrophobicContact CD2-CG 3.75Å; E686-E688 HydrophobicContact CG-CB 4.36Å; E686-E688 PolarHBondContact O-N 3.49Å; E686-E688 VanDerWaalsContact O-N 3.11Å; E688-Q691 PolarHBondContact O-N 3.41Å; E688-A692 WeakPolarHBondContact O-CB 3.45Å; E688-A692 PolarHBondContact O-N 3.36Å
689	R	89.8	Confident	86.5	Confident	9 Å²	9	63.1 Å²	63.1	3%	0.034	32%	0.317	C	S	.	.	H	α-helix	trans	-69.6	-35.7	179.3	-168.9	179.3	-174.9	78.6	12.6	111.9	F541 E545 F563 S566 E686 K687 A692 Q693	F541-R689 HydrophobicContact CE2-CG 3.83Å; F541-R689 PolarHBondContact O-NH2 3.49Å; E545-R689 IonicContact OE1-CZ 3.3Å; E545-R689 IonicContact OE1-NE 2.69Å; E545-R689 PolarHBondContact OE1-NE 2.95Å; E545-R689 IonicContact OE1-NH2 3.94Å; E545-R689 PolarHBondContact OE1-NH2 2.89Å; F563-R689 VanDerWaalsContact CD2-CD 3.48Å; F563-R689 VanDerWaalsContact CE2-NE 3.26Å; F563-R689 VanDerWaalsContact CG-CD 3.49Å; F563-R689 VanDerWaalsContact CZ-CZ 3.49Å; S566-R689 PolarHBondContact OG-NH1 2.04Å; E686-R689 HydrophobicContact CB-CB 3.95Å; E686-R689 HydrophobicContact CG-CB 3.85Å; E686-R689 WeakPolarHBondContact O-CA 2.99Å; E686-R689 VanDerWaalsContact O-CB 3.25Å; E686-R689 WeakPolarHBondContact O-CB 3.1Å; E686-R689 PolarHBondContact O-N 3.06Å; K687-R689 VanDerWaalsContact C-N 3.33Å; R689-A692 WeakPolarHBondContact O-CB 3.23Å; R689-A692 PolarHBondContact O-N 3.5Å; R689-Q693 WeakPolarHBondContact O-CB 3.39Å; R689-Q693 PolarHBondContact O-N 2.88Å
690	I	88	Confident	85.2	Confident	74 Å²	74	65.8 Å²	65.8	38%	0.379	34%	0.336	S	S	.	.	H	α-helix	trans	-61.9	-52	173.3	-56.1	176.1	0	0	0	109.6	E685 E686 K687 A692 Q693 D694	E685-I690 HydrophobicContact CG-CD1 4.34Å; E686-I690 PolarHBondContact O-N 3.34Å; K687-I690 PolarHBondContact O-N 3.08Å; I690-A692 VanDerWaalsContact C-N 3.26Å; I690-A692 PolarHBondContact O-N 3.29Å; I690-Q693 WeakPolarHBondContact O-CB 3.45Å; I690-Q693 PolarHBondContact O-N 2.93Å; I690-Q693 VanDerWaalsContact O-N 3.08Å; I690-D694 PolarHBondContact O-N 3.31Å
691	Q	87.3	Confident	83.1	Confident	99 Å²	99	67.3 Å²	67.3	46%	0.463	35%	0.348	S	S	.	.	H	α-helix	trans	-56.7	-40.6	175.1	-66.6	174.5	24.2	0	0	112.2	L521 K687 E688 D694 M695	L521-Q691 HydrophobicContact CD1-CB 3.89Å; L521-Q691 HydrophobicContact CD2-CB 4.35Å; K687-Q691 WeakPolarHBondContact O-CG 3.36Å; K687-Q691 PolarHBondContact O-N 3.36Å; E688-Q691 PolarHBondContact O-N 3.41Å; Q691-D694 PolarHBondContact O-N 2.94Å; Q691-M695 VanDerWaalsContact O-CG 3.31Å; Q691-M695 WeakPolarHBondContact O-CG 3.34Å; Q691-M695 PolarHBondContact O-N 2.6Å
692	A	87.8	Confident	81	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-65.3	-38.3	177.9	0	0	0	0	0	112.5	V520 L521 I524 E688 R689 I690 L696	V520-A692 HydrophobicContact CG1-CB 4.04Å; L521-A692 HydrophobicContact CB-CB 4.22Å; L521-A692 HydrophobicContact CD1-CB 4.06Å; I524-A692 HydrophobicContact CD1-CB 3.84Å; E688-A692 WeakPolarHBondContact O-CB 3.45Å; E688-A692 PolarHBondContact O-N 3.36Å; R689-A692 WeakPolarHBondContact O-CB 3.23Å; R689-A692 PolarHBondContact O-N 3.5Å; I690-A692 VanDerWaalsContact C-N 3.26Å; I690-A692 PolarHBondContact O-N 3.29Å; A692-L696 WeakPolarHBondContact O-CG 3.45Å; A692-L696 PolarHBondContact O-N 3.08Å
693	Q	90.9	Very high	78.5	Confident	67 Å²	67	72.7 Å²	72.7	31%	0.313	38%	0.384	S	S	.	.	H	α-helix	trans	-66	-41.1	174.4	178.8	59.9	96.3	0	0	111.3	F541 R689 I690 L696 N697	F541-Q693 HydrophobicContact CE2-CB 3.97Å; F541-Q693 HydrophobicContact CZ-CB 3.9Å; F541-Q693 HydrophobicContact CZ-CG 4.25Å; R689-Q693 WeakPolarHBondContact O-CB 3.39Å; R689-Q693 PolarHBondContact O-N 2.88Å; I690-Q693 WeakPolarHBondContact O-CB 3.45Å; I690-Q693 PolarHBondContact O-N 2.93Å; I690-Q693 VanDerWaalsContact O-N 3.08Å; Q693-L696 PolarHBondContact O-N 3.23Å; Q693-N697 PolarHBondContact NE2-OD1 3.17Å; Q693-N697 WeakPolarHBondContact O-CB 3.37Å; Q693-N697 PolarHBondContact O-N 3.2Å; Q693-N697 PolarHBondContact O-ND2 2.98Å; Q693-N697 PolarHBondContact O-OD1 2.95Å
694	D	87.4	Confident	76.3	Confident	94 Å²	94	73.2 Å²	73.2	50%	0.503	38%	0.382	S	S	.	.	H	α-helix	trans	-65.2	-40.9	176.5	-69.5	-31.7	0	0	0	112.3	I690 Q691 N697 M698	I690-D694 PolarHBondContact O-N 3.31Å; Q691-D694 PolarHBondContact O-N 2.94Å; D694-N697 WeakPolarHBondContact O-CB 3.4Å; D694-N697 PolarHBondContact O-N 3.13Å; D694-M698 PolarHBondContact O-N 3.37Å
695	M	84.4	Confident	73.8	Confident	28 Å²	28	77.3 Å²	77.3	14%	0.138	40%	0.402	C	S	.	.	H	α-helix	trans	-60.1	-46.8	171.5	-69.3	175.1	76.4	0	0	111.6	L521 I524 K525 Q691 N697 M698 F699	L521-M695 HydrophobicContact CD1-SD 3.61Å; I524-M695 HydrophobicContact CG2-CB 3.98Å; I524-M695 HydrophobicContact CG2-CE 4.08Å; I524-M695 HydrophobicContact CG2-SD 4.23Å; K525-M695 HydrophobicContact CG-CE 3.71Å; K525-M695 HydrophobicContact CG-SD 4.15Å; Q691-M695 VanDerWaalsContact O-CG 3.31Å; Q691-M695 WeakPolarHBondContact O-CG 3.34Å; Q691-M695 PolarHBondContact O-N 2.6Å; M695-N697 VanDerWaalsContact C-N 3.28Å; M695-N697 PolarHBondContact O-N 3.23Å; M695-M698 PolarHBondContact O-N 3.1Å; M695-F699 HydrophobicContact CB-CE2 3.99Å; M695-F699 HydrophobicContact CB-CZ 4.28Å; M695-F699 HydrophobicContact CE-CE2 4.48Å; M695-F699 HydrophobicContact CE-CZ 4.19Å; M695-F699 WeakPolarHBondContact O-CD2 3.49Å; M695-F699 WeakPolarHBondContact O-CG 3.3Å; M695-F699 PolarHBondContact O-N 3.27Å
696	L	86.3	Confident	71.3	Confident	3 Å²	3	82.5 Å²	82.5	2%	0.016	43%	0.426	C	S	.	.	H	α-helix	trans	-63.2	-32.6	176.2	-74	175.4	0	0	0	112.8	I524 R538 F541 A692 Q693 S700	I524-L696 HydrophobicContact CD1-CD1 3.71Å; I524-L696 HydrophobicContact CD1-CD2 4.27Å; I524-L696 HydrophobicContact CD1-CG 3.89Å; I524-L696 HydrophobicContact CG1-CD2 4.37Å; I524-L696 HydrophobicContact CG1-CG 4.47Å; R538-L696 HydrophobicContact CB-CD2 3.89Å; R538-L696 HydrophobicContact CG-CD1 4.37Å; R538-L696 HydrophobicContact CG-CD2 3.87Å; F541-L696 HydrophobicContact CB-CD1 3.84Å; F541-L696 HydrophobicContact CD1-CD1 4.02Å; F541-L696 HydrophobicContact CD2-CD1 3.85Å; F541-L696 HydrophobicContact CE2-CD1 4.47Å; F541-L696 HydrophobicContact CG-CD1 3.63Å; A692-L696 WeakPolarHBondContact O-CG 3.45Å; A692-L696 PolarHBondContact O-N 3.08Å; Q693-L696 PolarHBondContact O-N 3.23Å; L696-S700 WeakPolarHBondContact O-CB 3.15Å; L696-S700 PolarHBondContact O-N 3.01Å; L696-S700 VanDerWaalsContact O-N 3.16Å; L696-S700 PolarHBondContact O-OG 3.27Å
697	N	83.4	Confident	68.8	Low	78 Å²	78	91 Å²	91	42%	0.417	46%	0.463	S	S	.	.	H	α-helix	trans	-66.6	-47.5	173.7	-69.5	-25	0	0	0	110.7	Q693 D694 M695 F699 S700 T701	Q693-N697 PolarHBondContact NE2-OD1 3.17Å; Q693-N697 WeakPolarHBondContact O-CB 3.37Å; Q693-N697 PolarHBondContact O-N 3.2Å; Q693-N697 PolarHBondContact O-ND2 2.98Å; Q693-N697 PolarHBondContact O-OD1 2.95Å; D694-N697 WeakPolarHBondContact O-CB 3.4Å; D694-N697 PolarHBondContact O-N 3.13Å; M695-N697 VanDerWaalsContact C-N 3.28Å; M695-N697 PolarHBondContact O-N 3.23Å; N697-F699 VanDerWaalsContact C-N 3.3Å; N697-F699 PolarHBondContact O-N 2.8Å; N697-S700 CarbonylContact O-C 3.56Å; N697-S700 WeakPolarHBondContact O-CA 3.27Å; N697-S700 PolarHBondContact O-N 3.42Å; N697-T701 PolarHBondContact O-N 2.98Å; N697-T701 PolarHBondContact O-OG1 2.81Å
698	M	74.9	Confident	66.2	Low	111 Å²	111	88.3 Å²	88.3	55%	0.547	46%	0.464	S	S	.	.	H	α-helix	trans	-60.3	-35.9	176.2	-174.4	179.6	69	0	0	112.7	D694 M695 S700 T701	D694-M698 PolarHBondContact O-N 3.37Å; M695-M698 PolarHBondContact O-N 3.1Å; M698-S700 VanDerWaalsContact C-N 3.27Å; M698-S700 PolarHBondContact O-N 3.05Å; M698-T701 PolarHBondContact O-OG1 3.08Å
699	F	73.6	Confident	63.8	Low	68 Å²	68	92.7 Å²	92.7	30%	0.298	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-11.4	172.6	-52.9	-37.4	0	0	0	113.9	I524 Q528 L534 M695 N697	I524-F699 HydrophobicContact CG2-CE2 4.05Å; Q528-F699 HydrophobicContact CB-CE1 4.47Å; Q528-F699 HydrophobicContact CB-CE2 4.38Å; Q528-F699 HydrophobicContact CB-CZ 3.74Å; Q528-F699 HydrophobicContact CG-CE1 3.98Å; Q528-F699 HydrophobicContact CG-CZ 3.68Å; L534-F699 HydrophobicContact CD1-CD2 4Å; L534-F699 HydrophobicContact CD1-CE2 4.02Å; L534-F699 HydrophobicContact CD2-CB 4.39Å; L534-F699 HydrophobicContact CD2-CD2 3.88Å; L534-F699 HydrophobicContact CD2-CE2 4.41Å; L534-F699 HydrophobicContact CD2-CG 4.14Å; M695-F699 HydrophobicContact CB-CE2 3.99Å; M695-F699 HydrophobicContact CB-CZ 4.28Å; M695-F699 HydrophobicContact CE-CE2 4.48Å; M695-F699 HydrophobicContact CE-CZ 4.19Å; M695-F699 WeakPolarHBondContact O-CD2 3.49Å; M695-F699 WeakPolarHBondContact O-CG 3.3Å; M695-F699 PolarHBondContact O-N 3.27Å; N697-F699 VanDerWaalsContact C-N 3.3Å; N697-F699 PolarHBondContact O-N 2.8Å
700	S	66.2	Low	61.2	Low	58 Å²	58	101.7 Å²	101.7	41%	0.406	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-18.6	-179.8	-56.6	0	0	0	0	113.2	R538 L696 N697 M698	R538-S700 PolarHBondContact NH1-OG 2.83Å; L696-S700 WeakPolarHBondContact O-CB 3.15Å; L696-S700 PolarHBondContact O-N 3.01Å; L696-S700 VanDerWaalsContact O-N 3.16Å; L696-S700 PolarHBondContact O-OG 3.27Å; N697-S700 CarbonylContact O-C 3.56Å; N697-S700 WeakPolarHBondContact O-CA 3.27Å; N697-S700 PolarHBondContact O-N 3.42Å; M698-S700 VanDerWaalsContact C-N 3.27Å; M698-S700 PolarHBondContact O-N 3.05Å
701	T	47.3	Very low	58.7	Low	94 Å²	94	107.4 Å²	107.4	58%	0.577	55%	0.549	S	S	*	.	S	Bend	trans	-71.2	122.6	170	41.2	0	0	0	0	110.5	N697 M698	N697-T701 PolarHBondContact O-N 2.98Å; N697-T701 PolarHBondContact O-OG1 2.81Å; M698-T701 PolarHBondContact O-OG1 3.08Å
702	P	42.8	Very low	55.8	Low	116 Å²	116	108.3 Å²	108.3	75%	0.753	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-64.9	140.2	171.2	28.6	-33.8	0	0	0	109.8	N704	P702-N704 PolarHBondContact O-N 3.13Å
703	V	37	Very low	53	Low	125 Å²	125	117.7 Å²	117.7	76%	0.758	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-63.8	129.6	173.4	-177.2	0	0	0	0	108.7	E705	V703-E705 PolarHBondContact O-N 3.01Å
704	N	35.3	Very low	50	Low	117 Å²	117	121.9 Å²	121.9	63%	0.626	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-54.3	130	179.8	-79.5	-11.1	0	0	0	111.4	P702 E706 F707	P702-N704 PolarHBondContact O-N 3.13Å; N704-E706 PolarHBondContact O-N 3.32Å; N704-F707 PolarHBondContact O-N 3.31Å
705	E	33.9	Very low	47.2	Very low	166 Å²	166	122.6 Å²	122.6	78%	0.776	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-60.4	-18.8	-177.2	-61.9	-172.2	133.5	0	0	113.7	V703 F707 S708	V703-E705 PolarHBondContact O-N 3.01Å; E705-F707 PolarHBondContact O-N 2.9Å; E705-F707 VanDerWaalsContact O-N 3.16Å; E705-S708 PolarHBondContact O-N 3.2Å; E705-S708 VanDerWaalsContact O-N 3.08Å
706	E	37.7	Very low	44.4	Very low	174 Å²	174	124.5 Å²	124.5	81%	0.813	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-60	-20.9	176.9	-64.8	-169.1	124.5	0	0	114.1	N704	N704-E706 PolarHBondContact O-N 3.32Å
707	F	38.4	Very low	41.7	Very low	193 Å²	193	134.3 Å²	134.3	85%	0.846	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-89	-7.5	175.9	-103.1	-87.7	0	0	0	115	N704 E705	N704-F707 PolarHBondContact O-N 3.31Å; E705-F707 PolarHBondContact O-N 2.9Å; E705-F707 VanDerWaalsContact O-N 3.16Å
708	S	32.1	Very low	39	Very low	99 Å²	99	136.1 Å²	136.1	69%	0.692	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	-10.5	-177.2	-63.3	0	0	0	0	114.4	E705 K710	E705-S708 PolarHBondContact O-N 3.2Å; E705-S708 VanDerWaalsContact O-N 3.08Å; S708-K710 PolarHBondContact O-N 2.72Å
709	Q	34.8	Very low	36.5	Very low	173 Å²	173	134.6 Å²	134.6	81%	0.808	75%	0.75	S	S	*	*			trans	-90.8	67.8	-178.8	-67.7	-160.9	12.7	0	0	113.3
710	K	36.3	Very low	34.7	Very low	198 Å²	198	137.4 Å²	137.4	86%	0.861	78%	0.776	S	S	*	*	S	Bend	trans	-152.1	27.8	165.5	-128.4	172	-168.7	174.4	0	119.8	S708	S708-K710 PolarHBondContact O-N 2.72Å
711	E	34.4	Very low	32.7	Very low	195 Å²	195	139.3 Å²	139.3	91%	0.911	80%	0.795	S	S	*	*			trans	-154	93.3	157.6	-120.1	160	-142.3	0	0	111.9
712	S	27.4	Very low	31.6	Very low	118 Å²	118	139 Å²	139	83%	0.825	80%	0.802	S	S	*	*			trans	-153.2	51.1	178.3	73	0	0	0	0	113.7
713	Q	29.4	Very low	30.8	Very low	197 Å²	197	138.1 Å²	138.1	92%	0.921	80%	0.799	S	S	*	*			trans	-137.4	133.1	153.2	-66.4	-172.1	-45.6	0	0	105.8
714	D	27.6	Very low	30.2	Very low	154 Å²	154	141.1 Å²	141.1	82%	0.824	80%	0.804	S	S	*	*			cis	-133.2	174.9	16.8	-158.6	-12.3	0	0	0	112.2
715	S	28	Very low	29.7	Very low	109 Å²	109	140.1 Å²	140.1	76%	0.762	81%	0.812	S	S	*	*			trans	-58.8	161.8	173	55.4	0	0	0	0	115.2
716	G	26.2	Very low	29.2	Very low	69 Å²	69	139.8 Å²	139.8	71%	0.711	82%	0.816	S	S	*	*			cis	169.5	-149.9	-1.6	0	0	0	0	0	113.7
717	E	28.3	Very low	28.6	Very low	209 Å²	209	139 Å²	139	98%	0.977	81%	0.812	S	S	*	*			trans	71.3	144.3	177.5	-60	-155.4	125.9	0	0	119.4
718	S	27.4	Very low	27.9	Very low	116 Å²	116	137.5 Å²	137.5	81%	0.811	81%	0.812	S	S	*	*			trans	-125.7	113.6	-150	55.4	0	0	0	0	115.2
719	G	22.2	Very low	27.5	Very low	78 Å²	78	136 Å²	136	80%	0.804	81%	0.806	S	S	*	*			trans	57.9	-167.1	145	0	0	0	0	0	119.6
720	P	36.9	Very low	27	Very low	128 Å²	128	134.5 Å²	134.5	83%	0.831	81%	0.808	S	S	*	*			cis	-120.8	167.3	-3.5	40.6	-28.1	0	0	0	115.5
721	A	23.8	Very low	26.4	Very low	98 Å²	98	131 Å²	131	81%	0.81	80%	0.799	S	S	*	*			trans	2.9	135.9	159.1	0	0	0	0	0	121.4
722	A	24.2	Very low	26	Very low	88 Å²	88	129.3 Å²	129.3	73%	0.727	79%	0.789	S	S	*	*				-179.4	158.2	98.8	0	0	0	0	0	114.6
723	S	24.6	Very low	25.7	Very low	97 Å²	97	133.6 Å²	133.6	68%	0.678	79%	0.787	S	S	*	*			trans	44.8	118.6	149.6	59.8	0	0	0	0	121.7
724	Q	24.9	Very low	25.5	Very low	188 Å²	188	129.8 Å²	129.8	88%	0.879	77%	0.769	S	S	*	*			trans	50.4	115.1	133.6	-68.6	173.7	-44.6	0	0	119.1
725	A	25.3	Very low	25.4	Very low	95 Å²	95	130.9 Å²	130.9	79%	0.785	77%	0.766	S	S	*	*			trans	-66.1	143.9	141.8	0	0	0	0	0	109.6
726	D	23.9	Very low	25.1	Very low	160 Å²	160	133 Å²	133	86%	0.856	76%	0.762	S	S	*	*				-144.2	164.1	124.6	-142.7	-25.6	0	0	0	110.3
727	Q	24.8	Very low	25.6	Very low	157 Å²	157	135.2 Å²	135.2	73%	0.734	76%	0.764	S	S	*	*			trans	-98.5	171.6	-171	-57.9	-172.9	-6.3	0	0	113
728	L	23.8	Very low	25.4	Very low	162 Å²	162	130.4 Å²	130.4	85%	0.848	75%	0.745	S	S	*	*			trans	70.6	148.2	162.5	-95.1	67.5	0	0	0	115.3
729	A	23.4	Very low	25.4	Very low	67 Å²	67	131.9 Å²	131.9	55%	0.554	75%	0.749	S	S	*	*			cis	-156	156.3	3.4	0	0	0	0	0	112.1
730	T	23.6	Very low	25.7	Very low	141 Å²	141	132 Å²	132	87%	0.865	74%	0.742	S	S	*	*			trans	63	151.8	150	57.2	0	0	0	0	118.1
731	D	23.9	Very low	25.2	Very low	124 Å²	124	131.5 Å²	131.5	66%	0.663	74%	0.742	S	S	*	*			cis	-157.3	-176.7	12.8	-161.8	2.6	0	0	0	110.8
732	K	25.4	Very low	25.4	Very low	160 Å²	160	131.6 Å²	131.6	70%	0.696	74%	0.743	S	S	*	*			trans	79.7	98.2	150.6	-74.8	149.6	-168	161.5	0	120.5
733	R	22.5	Very low	25.5	Very low	208 Å²	208	130.5 Å²	130.5	79%	0.785	74%	0.74	S	S	*	*				64.8	136	107.3	-89.4	-174.1	174.3	-143.2	11.1	122
734	E	24.4	Very low	25.6	Very low	117 Å²	117	135.5 Å²	135.5	55%	0.547	75%	0.75	S	S	.	*			trans	88.6	126.3	140.5	-76.3	179.3	-133.8	0	0	121.1
735	K	26.1	Very low	25.6	Very low	178 Å²	178	131.4 Å²	131.4	77%	0.774	74%	0.742	S	S	*	*			trans	78.9	103	145.2	-70.8	163	-179.9	148.1	0	120.9
736	K	21.1	Very low	25.6	Very low	154 Å²	154	131.3 Å²	131.3	67%	0.67	74%	0.74	S	S	*	*				-30.3	159.8	127.8	-98.4	173	166.6	-85.2	0	113.6	D738	K736-D738 IonicContact NZ-OD1 2.96Å; K736-D738 PolarHBondContact NZ-OD1 2.98Å; K736-D738 IonicContact NZ-OD2 3.29Å; K736-D738 PolarHBondContact NZ-OD2 2.74Å
737	P	36	Very low	25.6	Very low	115 Å²	115	130.1 Å²	130.1	75%	0.747	73%	0.734	S	S	*	*			cis	-122.4	147.4	33.8	6.2	20.1	0	0	0	114.7
738	D	25.9	Very low	25.4	Very low	107 Å²	107	133.1 Å²	133.1	57%	0.572	74%	0.739	S	S	*	*				73.2	111.3	83.4	-60.7	-39.2	0	0	0	116.3	K736	K736-D738 IonicContact NZ-OD1 2.96Å; K736-D738 PolarHBondContact NZ-OD1 2.98Å; K736-D738 IonicContact NZ-OD2 3.29Å; K736-D738 PolarHBondContact NZ-OD2 2.74Å
739	T	27.4	Very low	26.2	Very low	147 Å²	147	130.4 Å²	130.4	90%	0.902	73%	0.731	S	S	*	*				175.2	146.3	129.9	27.8	0	0	0	0	108.3
740	A	27.9	Very low	26.3	Very low	80 Å²	80	135.8 Å²	135.8	66%	0.661	75%	0.745	S	S	*	*			cis	-160.9	143.6	-27.3	0	0	0	0	0	108.2
741	S	25.8	Very low	26.4	Very low	118 Å²	118	132.9 Å²	132.9	83%	0.825	74%	0.743	S	S	*	*			trans	39.8	148.3	139.4	67.5	0	0	0	0	121.4
742	A	27.4	Very low	26.5	Very low	100 Å²	100	133.3 Å²	133.3	83%	0.826	75%	0.75	S	S	*	*			cis	-158.8	163	-7.6	0	0	0	0	0	105.5
743	G	27.1	Very low	26.6	Very low	65 Å²	65	132 Å²	132	67%	0.67	76%	0.756	S	S	*	*			cis	122.7	153.2	17.6	0	0	0	0	0	109.6
744	K	27.7	Very low	26.8	Very low	203 Å²	203	128.5 Å²	128.5	88%	0.883	75%	0.749	S	S	*	*			trans	73	128.3	-170.6	-56.4	179.1	179.5	-179	0	113.4
745	S	23.4	Very low	27	Very low	102 Å²	102	129.6 Å²	129.6	71%	0.713	75%	0.752	S	S	*	*			cis	97.7	136.3	24.9	76.6	0	0	0	0	114.5
746	A	25.9	Very low	27.1	Very low	92 Å²	92	129 Å²	129	76%	0.76	75%	0.749	S	S	*	*			trans	68.8	152.4	167.8	0	0	0	0	0	116.6
747	D	23.8	Very low	27.4	Very low	135 Å²	135	132.1 Å²	132.1	72%	0.722	76%	0.756	S	S	*	*			cis	-169	133.1	-33.2	-121.8	-11	0	0	0	108.7
748	W	21.8	Very low	26.9	Very low	220 Å²	220	131.7 Å²	131.7	83%	0.833	75%	0.752	S	S	*	*			trans	56.2	-175.1	163.3	-72.1	69.5	0	0	0	115.8
749	P	40.4	Very low	27	Very low	106 Å²	106	132.9 Å²	132.9	69%	0.688	76%	0.763	S	S	*	*			cis	-122.4	-172.3	-14.8	23.6	0.6	0	0	0	114.7
750	E	24.8	Very low	27.1	Very low	179 Å²	179	135.2 Å²	135.2	84%	0.836	76%	0.761	S	S	*	*			trans	-26.8	156.3	162.3	-51.3	169.1	119.5	0	0	119.1
751	G	25.4	Very low	28.1	Very low	81 Å²	81	137.2 Å²	137.2	84%	0.835	77%	0.767	S	S	*	*			trans	-176.5	94.8	166.6	0	0	0	0	0	115.8
752	T	26.4	Very low	28.6	Very low	132 Å²	132	136.2 Å²	136.2	81%	0.81	77%	0.766	S	S	*	*			trans	-81.9	148.3	177.4	53.8	0	0	0	0	114.3
753	T	26.7	Very low	28.6	Very low	134 Å²	134	136.3 Å²	136.3	82%	0.822	77%	0.767	S	S	*	*			trans	156.1	168.4	136.6	39.5	0	0	0	0	110.9
754	E	28.2	Very low	28.9	Very low	134 Å²	134	143.2 Å²	143.2	63%	0.626	78%	0.779	S	S	*	*			cis	-174.2	169.8	-46.3	-159.2	-152.3	125.6	0	0	107.9
755	K	28	Very low	29.1	Very low	140 Å²	140	138 Å²	138	61%	0.609	77%	0.773	S	S	*	*			trans	80.7	99	157.9	-61.6	-175.2	173.8	68.2	0	122.6
756	K	27.8	Very low	29.3	Very low	164 Å²	164	143.1 Å²	143.1	71%	0.713	78%	0.783	S	S	*	*				78.2	129.2	111.3	-76.2	173.7	176	171.6	0	123.8
757	R	27.1	Very low	29.5	Very low	220 Å²	220	142.6 Å²	142.6	83%	0.83	78%	0.779	S	S	*	*			trans	74.8	158.9	140.3	-71.8	-178.5	165.8	-169.8	-3.9	117.1
758	T	26.6	Very low	30.4	Very low	106 Å²	106	142.1 Å²	142.1	65%	0.65	78%	0.783	S	S	*	*			cis	-155.6	142	16.1	-14.7	0	0	0	0	115.7
759	T	27.3	Very low	30.9	Very low	133 Å²	133	136.4 Å²	136.4	82%	0.816	78%	0.783	S	S	*	*			trans	60	135.1	140.6	47.5	0	0	0	0	127.1
760	K	29.8	Very low	30.5	Very low	195 Å²	195	141.4 Å²	141.4	85%	0.848	79%	0.794	S	S	*	*			trans	-64.5	173.1	151.7	-88	176.3	177.2	174.9	0	112.9
761	P	48.8	Very low	30.5	Very low	122 Å²	122	137.9 Å²	137.9	79%	0.792	80%	0.795	S	S	*	*			cis	-138.5	175.8	42.5	26.3	0.2	0	0	0	115.7
762	A	35	Very low	30.7	Very low	98 Å²	98	143.2 Å²	143.2	81%	0.81	80%	0.795	S	S	*	*			cis	105.1	127.7	20.5	0	0	0	0	0	116.5
763	A	28.6	Very low	30.7	Very low	102 Å²	102	144.7 Å²	144.7	84%	0.843	80%	0.798	S	S	*	*			trans	-158.7	174.9	175.3	0	0	0	0	0	114.2
764	K	32.7	Very low	30.8	Very low	210 Å²	210	147.6 Å²	147.6	91%	0.913	80%	0.799	S	S	*	*			trans	-140.4	175.5	-173.1	-62.2	-175.4	178.4	-180	0	111.2
765	A	32.8	Very low	31.2	Very low	93 Å²	93	147.1 Å²	147.1	77%	0.769	81%	0.808	S	S	*	*			cis	-142.2	-139.4	15.7	0	0	0	0	0	111.5
766	K	26.6	Very low	31	Very low	209 Å²	209	143.8 Å²	143.8	91%	0.909	81%	0.813	S	S	*	*			cis	-159.3	-161.2	11.9	-146.1	178.4	-169.8	-179.3	0	111.4
767	A	29.6	Very low	31	Very low	82 Å²	82	143.6 Å²	143.6	68%	0.678	82%	0.82	S	S	*	*			trans	-148.8	178.4	177.9	0	0	0	0	0	110.3
768	P	44.7	Very low	30.9	Very low	124 Å²	124	136.7 Å²	136.7	81%	0.805	81%	0.81	S	S	*	*				-162.2	-173.9	64.7	44.9	-22.4	0	0	0	120.5
769	A	32.1	Very low	31	Very low	101 Å²	101	137.1 Å²	137.1	84%	0.835	81%	0.813	S	S	*	*			trans	95.5	167.6	144.4	0	0	0	0	0	122.9
770	K	30.6	Very low	31	Very low	211 Å²	211	140.2 Å²	140.2	92%	0.917	82%	0.815	S	S	*	*			trans	-135	161.9	-158.6	-63.7	174.5	174.2	175.5	0	114.3
771	A	25.9	Very low	30.8	Very low	105 Å²	105	135.5 Å²	135.5	87%	0.868	81%	0.813	S	S	*	*			trans	-150.6	171.3	154.7	0	0	0	0	0	112.9
772	K	28.5	Very low	29.8	Very low	192 Å²	192	134.5 Å²	134.5	84%	0.835	81%	0.814	S	S	*	*			trans	-129	158.9	177.3	-72.5	178.9	172.9	-178.8	0	110.6
773	N	27	Very low	29.4	Very low	163 Å²	163	135 Å²	135	87%	0.872	82%	0.818	S	S	*	*				175.3	164.5	121.1	-88.1	-11	0	0	0	115
774	K	28.1	Very low	29.3	Very low	196 Å²	196	133.7 Å²	133.7	85%	0.852	82%	0.815	S	S	*	*			trans	-125	152.5	166	-105.5	-171.3	175.8	-173.6	0	107.9
775	P	36.3	Very low	28.9	Very low	124 Å²	124	130 Å²	130	81%	0.805	81%	0.81	S	S	*	*				-129.9	-169.2	93.9	15.4	8	0	0	0	111
776	G	25.3	Very low	28.6	Very low	70 Å²	70	135 Å²	135	72%	0.722	81%	0.814	S	S	*	*			cis	92.3	138.6	20	0	0	0	0	0	111.3
777	D	27.1	Very low	28.5	Very low	159 Å²	159	129.5 Å²	129.5	85%	0.85	81%	0.808	S	S	*	*			cis	-164.7	163.8	4.2	-177	28.1	0	0	0	111.2
778	A	26	Very low	28.2	Very low	75 Å²	75	130.1 Å²	130.1	62%	0.62	81%	0.813	S	S	*	*			trans	58.1	161.8	161.8	0	0	0	0	0	119.7
779	T	27.5	Very low	27.2	Very low	116 Å²	116	134 Å²	134	71%	0.712	82%	0.817	S	S	*	*			cis	-152.5	136.1	26.5	13.7	0	0	0	0	116
780	K	27.3	Very low	26.9	Very low	197 Å²	197	138.2 Å²	138.2	86%	0.857	82%	0.82	S	S	*	*			trans	45.4	119.8	130.4	-64.9	175.8	179.3	175.5	0	123.8
781	A	26.8	Very low	26.7	Very low	97 Å²	97	137.3 Å²	137.3	80%	0.802	82%	0.816	S	S	*	*				-170.2	134.8	111.6	0	0	0	0	0	108
782	A	26.6	Very low	26.8	Very low	100 Å²	100	138.6 Å²	138.6	83%	0.826	81%	0.813	S	S	*	*			cis	70.1	123.7	26.2	0	0	0	0	0	114.1
783	A	27.3	Very low	26.6	Very low	108 Å²	108	138.8 Å²	138.8	89%	0.893	81%	0.813	S	S	*	*			cis	-152.5	-177.3	-1.1	0	0	0	0	0	108.8
784	G	25.6	Very low	26.5	Very low	75 Å²	75	139.5 Å²	139.5	77%	0.773	81%	0.811	S	S	*	*			cis	-177.1	-163.4	10.5	0	0	0	0	0	113.2
785	T	25.6	Very low	26.4	Very low	132 Å²	132	134 Å²	134	81%	0.81	81%	0.811	S	S	*	*			trans	-96.4	152.5	-167.5	46.1	0	0	0	0	115.2
786	K	25.6	Very low	25.8	Very low	199 Å²	199	133.2 Å²	133.2	87%	0.865	81%	0.808	S	S	*	*				-179.2	114	115.5	-98.3	166.2	-176.3	177.6	0	116.2
787	A	24.3	Very low	25.9	Very low	94 Å²	94	139.4 Å²	139.4	78%	0.777	82%	0.815	S	S	*	*				38.7	125.2	128.8	0	0	0	0	0	122.9
788	A	23.9	Very low	25.9	Very low	94 Å²	94	142.1 Å²	142.1	78%	0.777	82%	0.819	S	S	*	*			trans	71.9	116.9	132.7	0	0	0	0	0	121.2
789	K	24.7	Very low	25.9	Very low	205 Å²	205	142.3 Å²	142.3	89%	0.891	83%	0.829	S	S	*	*				-161.3	142.8	101.3	-106	162.9	-173.7	170.7	0	113
790	Q	25.7	Very low	25.7	Very low	191 Å²	191	141.7 Å²	141.7	89%	0.893	84%	0.835	S	S	*	*			trans	-62.3	141.6	162.1	-64.4	163.7	-53.7	0	0	109.7
791	K	24.7	Very low	25.8	Very low	191 Å²	191	136.7 Å²	136.7	83%	0.83	83%	0.831	S	S	*	*			trans	-154.5	100.6	143.4	-125.1	172.5	-173.8	177.9	0	112.1	K793	K791-K793 PolarHBondContact O-N 2.66Å
792	V	27.8	Very low	25.9	Very low	133 Å²	133	138.4 Å²	138.4	81%	0.806	83%	0.834	S	S	*	*			trans	-52.7	131.3	157.7	178.9	0	0	0	0	108.1
793	K	24.7	Very low	25.9	Very low	195 Å²	195	137.7 Å²	137.7	85%	0.848	83%	0.828	S	S	*	*			trans	-127.8	95.4	167.5	-106	-169.6	172.8	-175.1	0	109.5	K791 G795	K791-K793 PolarHBondContact O-N 2.66Å; K793-G795 PolarHBondContact O-N 2.91Å
794	Q	25.9	Very low	25.9	Very low	178 Å²	178	138.8 Å²	138.8	83%	0.832	82%	0.823	S	S	*	*			trans	-59.9	132.5	155.7	-70	172	-32.7	0	0	108.4
795	G	24.6	Very low	25.9	Very low	81 Å²	81	144.2 Å²	144.2	84%	0.835	83%	0.826	S	S	*	*			trans	-118.7	58.9	-176.1	0	0	0	0	0	112.7	K793 K797	K793-G795 PolarHBondContact O-N 2.91Å; G795-K797 PolarHBondContact O-N 2.6Å
796	S	25.3	Very low	26.1	Very low	108 Å²	108	146.9 Å²	146.9	76%	0.755	83%	0.826	S	S	*	*			trans	-86.6	107.2	-173.2	45.1	0	0	0	0	114.2
797	K	27	Very low	26.2	Very low	200 Å²	200	141.9 Å²	141.9	87%	0.87	81%	0.812	S	S	*	*			trans	-139.4	119.2	155.6	-72.2	-173.6	173.1	-179.6	0	106.1	G795	G795-K797 PolarHBondContact O-N 2.6Å
798	K	26.6	Very low	26.3	Very low	215 Å²	215	144.3 Å²	144.3	94%	0.935	81%	0.811	S	S	*	*			cis	65.2	109.4	36.8	-101.4	-167.6	-177.4	-174.6	0	114.2
799	G	25.5	Very low	26.4	Very low	80 Å²	80	149.8 Å²	149.8	83%	0.825	82%	0.817	S	S	*	*			trans	118.7	132.1	169.7	0	0	0	0	0	112.8
800	A	24.1	Very low	26.5	Very low	102 Å²	102	142.8 Å²	142.8	84%	0.843	80%	0.803	S	S	*	*			cis	-159.2	150.9	-14.4	0	0	0	0	0	109.8
801	A	29.1	Very low	26.6	Very low	93 Å²	93	139.1 Å²	139.1	77%	0.769	80%	0.799	S	S	*	*			trans	-89.3	138.4	168.8	0	0	0	0	0	111
802	P	29.3	Very low	26.7	Very low	133 Å²	133	134.4 Å²	134.4	86%	0.864	79%	0.79	S	S	*	*			trans	-87.9	111.5	162.7	32.2	-27.8	0	0	0	109.9
803	A	26.8	Very low	26.8	Very low	84 Å²	84	135.4 Å²	135.4	69%	0.694	79%	0.786	S	S	*	*			trans	-118	118.6	179.1	0	0	0	0	0	112.5
804	V	27.2	Very low	27	Very low	132 Å²	132	133.1 Å²	133.1	80%	0.8	78%	0.776	S	S	*	*			trans	-141	107.5	171.2	-165.9	0	0	0	0	105.1
805	K	25.9	Very low	27	Very low	189 Å²	189	130.8 Å²	130.8	82%	0.822	77%	0.769	S	S	*	*				58.1	136.9	79	-61.3	171.5	179.9	171.4	0	110.5
806	K	29.1	Very low	27.2	Very low	187 Å²	187	132.5 Å²	132.5	81%	0.813	77%	0.768	S	S	*	*			cis	-169	172.1	28.9	-134.2	-170.1	177.6	-172.9	0	106.8
807	T	27.4	Very low	27.2	Very low	94 Å²	94	131.6 Å²	131.6	58%	0.577	77%	0.767	S	S	*	*			cis	-159.8	127	1.5	-11.3	0	0	0	0	106.3
808	I	27.7	Very low	27.2	Very low	146 Å²	146	128 Å²	128	75%	0.749	77%	0.768	S	S	*	*				69.4	131.2	99.8	-65.3	-177.1	0	0	0	118
809	K	25.9	Very low	27.3	Very low	208 Å²	208	122 Å²	122	90%	0.904	76%	0.757	S	S	*	*			trans	71.8	152.9	166.1	-77.3	170.2	-179.4	-172.8	0	117.5
810	G	26.6	Very low	27.4	Very low	59 Å²	59	122.8 Å²	122.8	61%	0.608	75%	0.75	S	S	*	*			cis	-127.1	159.8	-0.1	0	0	0	0	0	112.2
811	S	27.2	Very low	27.5	Very low	114 Å²	114	124.8 Å²	124.8	80%	0.797	75%	0.747	S	S	*	*				62.9	132.2	68.2	72.6	0	0	0	0	114.4
812	S	27.2	Very low	27.5	Very low	92 Å²	92	127.3 Å²	127.3	64%	0.643	75%	0.747	S	S	*	*			cis	178.7	156.2	-5.8	43.2	0	0	0	0	109.7
813	E	29.5	Very low	27.4	Very low	153 Å²	153	128.7 Å²	128.7	72%	0.715	74%	0.743	S	S	*	*			trans	66.1	159.7	166.5	-63.5	-173.6	118.4	0	0	115.4
814	K	28.2	Very low	27.5	Very low	148 Å²	148	130.7 Å²	130.7	64%	0.643	75%	0.751	S	S	*	*			cis	-164.1	159.6	-15.8	-117.6	173	171.1	154.5	0	111.5
815	D	27.1	Very low	27.6	Very low	129 Å²	129	127.5 Å²	127.5	69%	0.69	75%	0.745	S	S	*	*			trans	55.3	160.7	143.3	-55.5	-23.3	0	0	0	122.6
816	S	27.7	Very low	27.9	Very low	117 Å²	117	126.6 Å²	126.6	82%	0.818	74%	0.741	S	S	*	*			trans	61.8	120	179.6	54.4	0	0	0	0	116.4
817	A	27	Very low	28	Very low	89 Å²	89	123.1 Å²	123.1	74%	0.736	73%	0.731	S	S	*	*			cis	82.8	146.8	23.5	0	0	0	0	0	116
818	S	27	Very low	28.4	Very low	125 Å²	125	127 Å²	127	87%	0.874	74%	0.743	S	S	*	*			trans	68.4	155	-163.8	75.5	0	0	0	0	115.3
819	A	27.1	Very low	28.7	Very low	87 Å²	87	132 Å²	132	72%	0.719	77%	0.77	S	S	*	*			cis	174.4	176.2	-39.5	0	0	0	0	0	107.9
820	S	27.7	Very low	28.8	Very low	97 Å²	97	128.2 Å²	128.2	68%	0.678	76%	0.763	S	S	*	*			trans	59.9	103	166.4	54.7	0	0	0	0	119.1
821	D	27.5	Very low	28.9	Very low	145 Å²	145	131.8 Å²	131.8	78%	0.775	77%	0.771	S	S	*	*				49.4	111.6	108.2	-42.9	-33.9	0	0	0	120.2
822	N	28.1	Very low	29	Very low	145 Å²	145	132.8 Å²	132.8	78%	0.775	77%	0.77	S	S	*	*				-175.2	132.9	114.1	-90.4	-6.6	0	0	0	108
823	E	28.4	Very low	29.1	Very low	163 Å²	163	135.2 Å²	135.2	76%	0.762	78%	0.777	S	S	*	*				89.1	113.2	50.9	-168.6	-178.2	-120.2	0	0	113
824	S	28.5	Very low	29.1	Very low	126 Å²	126	134.1 Å²	134.1	88%	0.881	78%	0.781	S	S	*	*			trans	62	157.5	177.6	75.7	0	0	0	0	116.3
825	G	29.4	Very low	29.2	Very low	64 Å²	64	133.2 Å²	133.2	66%	0.66	79%	0.79	S	S	*	*			cis	-154.4	149.9	-8.3	0	0	0	0	0	108.6
826	K	31.3	Very low	29.3	Very low	171 Å²	171	133.5 Å²	133.5	74%	0.743	80%	0.797	S	S	*	*				87.3	136.2	75.9	-150.2	-165	168.9	-74.7	0	112
827	D	31.9	Very low	29.4	Very low	113 Å²	113	134.8 Å²	134.8	60%	0.604	80%	0.796	S	S	*	*			trans	67.5	143.3	169.8	-46.9	-35.2	0	0	0	116.1
828	E	34.5	Very low	29.6	Very low	175 Å²	175	138.6 Å²	138.6	82%	0.818	80%	0.801	S	S	*	*			cis	-160.3	168.2	-13.5	-122.7	178	177	0	0	109.7
829	L	34.3	Very low	29.9	Very low	252 Å²	252	139.8 Å²	139.8	100%	1.319	79%	0.794	S	S	*	*			trans	85.3	0	-178.7	-57	169.1	0	0	0	117.1

Retrieved 829 of 829 residues in 1208.7 ms (Link to these results)

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