A0A077Z8Y4_TRITR Loading...

protein O-GlcNAc transferase

AlphaFold DB , UniProt , Accession A0A077Z8Y4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,079 aa.

						>A0A077Z8Y4_TRITR|A0A077Z8Y4
MFVCHVPSSEGGSKTLAVRMDVKRRIVRPVGDHFGLTNGDNAALSRWTLSPRRADDSFPSSTSLSELAHREYLAADYDAAERHCMQLWRQDPTNISVLLLLSSVHFQCRRLDRSAQFCAMAIKANPLCAEAYSNLGNVYKERNQLVEAVENYRHAVRLKPDFIDGYINLAAALVSSGQLEQAVQAYVTALHYGPDLYCVRSDLGNLLKVMGRYDEAKACYLKAIDTQPNFAVAWSNLGCVFNAQGEIWLAIHHFEKAVQLDPNFLDAYINLGNVLKEARIFERASAAYLRALALNPSHAIVHGNLACVYYEQGLIDLAIDTYKRAIELQPHFPDAYCNLANALKEKSLVSEAEECYNTALTLCPQHADSLNNLANIKREQGLIEEATRLYVSALEIYPEFAAAHSNLASILQQQGRLTEALVHYKEAIRIAPTFADAYSNMGNTLKEMNDIQGALQCYTRAIQINPAFADAHSNLASIHKDSGNIPEAIQSYKTALKLKPDFPDAFCNLSHCLLVICDWTDYDSRTQKILSIVEDQLHRNRLPSVHPHHSMLYPLTHEQRKGIAARHAQLCLEKVSVLHKAPYQHPKALSPNGRLRVGYVSSDFGNHPTSHLMQSVPGMHDRSRVEIFCYALSADDNTNFRQKVSSTSEHFVDLSQTLDNGKAADRIAADRIHILVNMNGYTKGARNEIFALRPAPIQVMWLGYPGTSGASFMDYIITDESTSPLSLAHAYSEKLAYMPHTFFIGDHMQMFPHLSERAILRGKDKPLDLRKDNVTVVNGTNLQPIMSKVDVKALVREAEVVHGPEKEIKVTEVVVPVLEISTTAAVETMVSTGQVQTSVEGVPVQNGVTALTQTHIKAATGEEVPQTILITSRHQYGLPEEAVVYCNFNQMYKVDPPTLKMWCEILNRVPNSVLWLLRFPAHAEHNVLKFCEKEGVDPKRVKFSNVAAKEEHVRRGQLADIGLDSPLCNGHTTGMDMLWAGTPMVTLPLETFASRVASSQLNALGCPELVAKSREDYVDIAVRLGTDVDYLRRIRAKVWKARTTTTLFDVKQYCVDMEKLYFKMWHRYESGLPPDHISS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.2	Very low	27.4	Very low	232 Å²	232	145.2 Å²	145.2	100%	1.143	84%	0.838	S	S	*	*				0	95.1	0	-83.5	-174.6	-111.3	0	0	109.2
2	F	26.8	Very low	27.4	Very low	209 Å²	209	139.2 Å²	139.2	92%	0.917	83%	0.831	S	S	*	*			trans	-100.1	100.4	168	-87.6	-87.7	0	0	0	107.4	C4	F2-C4 PolarHBondContact O-N 2.66Å
3	V	28	Very low	27.5	Very low	117 Å²	117	137.8 Å²	137.8	71%	0.709	83%	0.833	S	S	*	*			trans	-83.2	95	172.7	179.5	0	0	0	0	106.7	H5	V3-H5 PolarHBondContact O-N 3.21Å
4	C	22.7	Very low	27.5	Very low	108 Å²	108	141.4 Å²	141.4	73%	0.73	83%	0.832	S	S	*	*			trans	-79.2	101.9	169.2	-74.9	0	0	0	0	108.7	F2 V6	F2-C4 PolarHBondContact O-N 2.66Å; C4-V6 PolarHBondContact O-N 3.15Å
5	H	24.8	Very low	27.4	Very low	177 Å²	177	140.9 Å²	140.9	82%	0.819	83%	0.831	S	S	*	*			trans	-66.7	109.5	163.8	-92.4	-55.7	0	0	0	109.1	V3	V3-H5 PolarHBondContact O-N 3.21Å
6	V	27.6	Very low	27.2	Very low	128 Å²	128	141.3 Å²	141.3	78%	0.776	83%	0.827	S	S	*	*			trans	-107.5	126.4	160.5	-174.3	0	0	0	0	107.5	C4	C4-V6 PolarHBondContact O-N 3.15Å
7	P	26.3	Very low	27.1	Very low	118 Å²	118	138.4 Å²	138.4	77%	0.766	82%	0.824	S	S	*	*			trans	-67.8	140.3	-173	-12.7	27.3	0	0	0	111.6
8	S	25	Very low	26.9	Very low	124 Å²	124	136.9 Å²	136.9	87%	0.867	82%	0.815	S	S	*	*			trans	-70.3	131.3	173.4	47.3	0	0	0	0	111.9
9	S	28.8	Very low	26.7	Very low	108 Å²	108	142.4 Å²	142.4	76%	0.755	82%	0.82	S	S	*	*			trans	-136	125.9	150.5	56.8	0	0	0	0	106.1
10	E	32.6	Very low	26.6	Very low	196 Å²	196	144 Å²	144	92%	0.916	82%	0.822	S	S	*	*	S	Bend	trans	94	86.8	-177.1	-53.3	-173	167.8	0	0	116.2
11	G	28.2	Very low	26.7	Very low	80 Å²	80	144.3 Å²	144.3	83%	0.825	82%	0.822	S	S	*	*				53.6	87.3	118	0	0	0	0	0	118.7
12	G	28.2	Very low	26.4	Very low	73 Å²	73	139.1 Å²	139.1	75%	0.753	80%	0.803	S	S	*	*			trans	56.7	86.8	140	0	0	0	0	0	117.7	K14	G12-K14 PolarHBondContact O-N 2.89Å; G12-K14 VanDerWaalsContact O-N 3.16Å
13	S	27.5	Very low	26.4	Very low	122 Å²	122	138.2 Å²	138.2	85%	0.853	80%	0.798	S	S	*	*			trans	-71.7	105.3	158.2	177.6	0	0	0	0	109.3	T15	S13-T15 PolarHBondContact O-N 3.28Å
14	K	27.9	Very low	26.2	Very low	187 Å²	187	143.9 Å²	143.9	81%	0.813	81%	0.807	S	S	*	*			trans	-69.2	115.2	168.8	-79.2	-179.6	176.7	176.5	0	108.9	G12 L16	G12-K14 PolarHBondContact O-N 2.89Å; G12-K14 VanDerWaalsContact O-N 3.16Å; K14-L16 PolarHBondContact O-N 3.4Å
15	T	26.1	Very low	26.3	Very low	135 Å²	135	149.9 Å²	149.9	83%	0.828	81%	0.814	S	S	*	*			trans	-62.5	94.1	168	-32.2	0	0	0	0	109.3	S13 A17	S13-T15 PolarHBondContact O-N 3.28Å; T15-A17 PolarHBondContact O-N 2.69Å; T15-A17 VanDerWaalsContact O-N 3.12Å
16	L	24.8	Very low	26.3	Very low	146 Å²	146	149.3 Å²	149.3	76%	0.764	82%	0.815	S	S	*	*			trans	-82	89.4	171.8	-133	105.6	0	0	0	108.5	K14 V18	K14-L16 PolarHBondContact O-N 3.4Å; L16-V18 VanDerWaalsContact C-N 3.34Å; L16-V18 HydrophobicContact CD2-CG2 3.81Å; L16-V18 PolarHBondContact O-N 3.01Å
17	A	24.4	Very low	26.1	Very low	93 Å²	93	149.5 Å²	149.5	77%	0.769	82%	0.817	S	S	*	*			trans	-71.2	87.5	170.4	0	0	0	0	0	109.3	T15 R19	T15-A17 PolarHBondContact O-N 2.69Å; T15-A17 VanDerWaalsContact O-N 3.12Å; A17-R19 PolarHBondContact O-N 2.58Å; A17-R19 VanDerWaalsContact O-N 3.11Å
18	V	24.6	Very low	26.1	Very low	111 Å²	111	154.1 Å²	154.1	67%	0.673	82%	0.819	S	S	*	*			trans	-79.1	96.5	170	-176.5	0	0	0	0	108.2	L16 M20	L16-V18 VanDerWaalsContact C-N 3.34Å; L16-V18 HydrophobicContact CD2-CG2 3.81Å; L16-V18 PolarHBondContact O-N 3.01Å; V18-M20 PolarHBondContact O-N 2.89Å; V18-M20 VanDerWaalsContact O-N 3.12Å
19	R	23.5	Very low	26.1	Very low	242 Å²	242	154.4 Å²	154.4	91%	0.913	82%	0.817	S	S	*	*			trans	-64.4	101.4	169.5	-141.1	180	-171.5	-178.9	1.6	107.9	A17 D21	A17-R19 PolarHBondContact O-N 2.58Å; A17-R19 VanDerWaalsContact O-N 3.11Å; R19-D21 PolarHBondContact O-N 2.66Å
20	M	24.5	Very low	26	Very low	174 Å²	174	155.6 Å²	155.6	86%	0.857	82%	0.82	S	S	*	*			trans	-74.6	104.3	172	-85.2	-173.4	158.6	0	0	109.2	V18 V22	V18-M20 PolarHBondContact O-N 2.89Å; V18-M20 VanDerWaalsContact O-N 3.12Å; M20-V22 PolarHBondContact O-N 3.13Å
21	D	27.4	Very low	25.6	Very low	151 Å²	151	149.5 Å²	149.5	81%	0.807	81%	0.809	S	S	*	*			trans	-79.2	116.4	177.9	-144.4	-3	0	0	0	109.7	R19 K23	R19-D21 PolarHBondContact O-N 2.66Å; D21-K23 PolarHBondContact O-N 3.38Å
22	V	24.8	Very low	25.4	Very low	123 Å²	123	153.3 Å²	153.3	75%	0.745	81%	0.811	S	S	*	*			trans	-76.9	87.3	-172.8	-179.2	0	0	0	0	109.5	M20	M20-V22 PolarHBondContact O-N 3.13Å
23	K	26.6	Very low	25.3	Very low	189 Å²	189	158.8 Å²	158.8	82%	0.822	82%	0.817	S	S	*	*			trans	-96.9	96.8	166	-84.7	-174.3	178.1	175	0	111.2	D21 R25	D21-K23 PolarHBondContact O-N 3.38Å; K23-R25 PolarHBondContact O-N 2.73Å; K23-R25 VanDerWaalsContact O-N 3.13Å
24	R	23.6	Very low	25.2	Very low	236 Å²	236	162.5 Å²	162.5	89%	0.891	82%	0.818	S	S	*	*			trans	-48.2	108.6	162.7	-72	175.7	173.4	176.6	-2.6	110.1
25	R	24.3	Very low	25.1	Very low	235 Å²	235	157.2 Å²	157.2	89%	0.887	82%	0.816	S	S	*	*			trans	-121.7	119.4	158.5	-105.9	-176.1	177.3	179.6	-0.9	108.8	K23 V27	K23-R25 PolarHBondContact O-N 2.73Å; K23-R25 VanDerWaalsContact O-N 3.13Å; R25-V27 PolarHBondContact O-N 3.12Å
26	I	24.9	Very low	25.1	Very low	164 Å²	164	158.5 Å²	158.5	84%	0.841	82%	0.817	S	S	*	*			trans	-62.8	108	176.9	-65.1	159.8	0	0	0	107.9
27	V	24.5	Very low	25.1	Very low	133 Å²	133	157.5 Å²	157.5	81%	0.806	82%	0.817	S	S	*	*			trans	-93.7	114.5	170.9	177.8	0	0	0	0	107.2	R25	R25-V27 PolarHBondContact O-N 3.12Å
28	R	25.5	Very low	25.3	Very low	215 Å²	215	161 Å²	161	81%	0.811	82%	0.823	S	S	*	*			trans	-76.5	147.4	164.9	-79.3	-174	-179.9	-175.3	0.2	109	V30	R28-V30 PolarHBondContact O-N 2.64Å
29	P	24.3	Very low	25.4	Very low	129 Å²	129	159 Å²	159	84%	0.838	83%	0.825	S	S	*	*			trans	-75.2	126	-174.3	29.5	-27.8	0	0	0	109.7
30	V	26.7	Very low	25.6	Very low	134 Å²	134	155.2 Å²	155.2	81%	0.812	82%	0.823	S	S	*	*			trans	-114.8	121.8	167.3	179	0	0	0	0	106	R28	R28-V30 PolarHBondContact O-N 2.64Å
31	G	24.9	Very low	25.7	Very low	67 Å²	67	155 Å²	155	69%	0.691	83%	0.825	S	S	*	*			trans	-63.4	135.5	-179.8	0	0	0	0	0	111.8	H33	G31-H33 PolarHBondContact O-N 2.7Å; G31-H33 VanDerWaalsContact O-N 3.14Å
32	D	24.7	Very low	25.8	Very low	160 Å²	160	152.3 Å²	152.3	86%	0.856	82%	0.824	S	S	*	*			trans	-67.6	101.3	170	-73.1	-43.6	0	0	0	109.8
33	H	26.3	Very low	25.9	Very low	189 Å²	189	150.9 Å²	150.9	88%	0.875	83%	0.825	S	S	*	*			trans	-90.9	120.6	153.6	-93.2	-54.5	0	0	0	108.8	G31 G35	G31-H33 PolarHBondContact O-N 2.7Å; G31-H33 VanDerWaalsContact O-N 3.14Å; H33-G35 PolarHBondContact O-N 2.87Å; H33-G35 VanDerWaalsContact O-N 3.15Å
34	F	25.6	Very low	25.9	Very low	200 Å²	200	149.9 Å²	149.9	88%	0.877	83%	0.828	S	S	*	*			trans	-44.5	109.1	169.6	-84.8	-104.3	0	0	0	112.2	L36	F34-L36 PolarHBondContact O-N 2.97Å
35	G	24.1	Very low	26.1	Very low	75 Å²	75	142.5 Å²	142.5	77%	0.773	81%	0.812	S	S	*	*			trans	-83.1	96.7	163.7	0	0	0	0	0	109.8	H33 T37	H33-G35 PolarHBondContact O-N 2.87Å; H33-G35 VanDerWaalsContact O-N 3.15Å; G35-T37 PolarHBondContact O-N 3.44Å
36	L	27.3	Very low	26.1	Very low	162 Å²	162	142.6 Å²	142.6	85%	0.848	81%	0.813	S	S	*	*			trans	-74	118.3	161.8	-90	159.4	0	0	0	108.7	F34	F34-L36 PolarHBondContact O-N 2.97Å
37	T	24.8	Very low	26.2	Very low	126 Å²	126	146.4 Å²	146.4	77%	0.773	82%	0.817	S	S	*	*			trans	-58.6	124.5	168.7	50.4	0	0	0	0	110.5	G35	G35-T37 PolarHBondContact O-N 3.44Å
38	N	28.3	Very low	26.2	Very low	166 Å²	166	145.7 Å²	145.7	89%	0.888	81%	0.812	S	S	*	*			trans	-136.4	115.4	153.8	-99	-24.5	0	0	0	107.9
39	G	27.1	Very low	26.2	Very low	69 Å²	69	143.5 Å²	143.5	71%	0.711	82%	0.816	S	S	*	*			trans	-66.1	149.9	-176.5	0	0	0	0	0	113.3	N41	G39-N41 PolarHBondContact O-N 2.89Å
40	D	27.1	Very low	26.3	Very low	162 Å²	162	142 Å²	142	87%	0.866	81%	0.808	S	S	*	*			trans	32.8	87.1	138.7	-62.9	-16.5	0	0	0	116.9
41	N	27.8	Very low	26.6	Very low	170 Å²	170	141.7 Å²	141.7	91%	0.909	81%	0.809	S	S	*	*			trans	-126.6	91.9	140.2	-106.2	-33.1	0	0	0	108.4	G39	G39-N41 PolarHBondContact O-N 2.89Å
42	A	28	Very low	26.8	Very low	95 Å²	95	150.1 Å²	150.1	79%	0.785	82%	0.82	S	S	*	*			trans	-63.2	132.5	169.4	0	0	0	0	0	110.4
43	A	27.2	Very low	26.9	Very low	92 Å²	92	153.6 Å²	153.6	76%	0.76	82%	0.821	S	S	*	*			trans	56.7	91.3	145.5	0	0	0	0	0	118.7
44	L	27.8	Very low	27.1	Very low	169 Å²	169	149 Å²	149	89%	0.885	82%	0.816	S	S	*	*			trans	-132.1	98.8	140.3	-98.3	157.1	0	0	0	110.1
45	S	26	Very low	27.5	Very low	80 Å²	80	146.5 Å²	146.5	56%	0.559	81%	0.812	S	S	*	*			trans	25.1	118.8	145	58.3	0	0	0	0	120.7	W47	S45-W47 PolarHBondContact O-N 2.75Å
46	R	25.2	Very low	28.1	Very low	238 Å²	238	150.2 Å²	150.2	90%	0.898	81%	0.814	S	S	*	*				14.7	102.9	128.1	-66.5	-179.9	-172.8	-174.4	1.9	116
47	W	26.1	Very low	28.8	Very low	244 Å²	244	147.6 Å²	147.6	92%	0.924	81%	0.809	S	S	*	*			trans	-119.5	110.1	143	-78.1	92.2	0	0	0	108.7	S45	S45-W47 PolarHBondContact O-N 2.75Å
48	T	26.1	Very low	29.7	Very low	117 Å²	117	150 Å²	150	72%	0.718	81%	0.809	S	S	*	*			trans	-68	133.7	171.2	36.1	0	0	0	0	111.3
49	L	25.4	Very low	30.7	Very low	170 Å²	170	144.9 Å²	144.9	89%	0.89	79%	0.785	S	S	*	*			trans	37.4	106.6	142.1	-72.9	150.6	0	0	0	118.2
50	S	26.5	Very low	32.4	Very low	97 Å²	97	145 Å²	145	68%	0.678	78%	0.775	S	S	*	*			trans	-143.8	126.9	138.9	67.3	0	0	0	0	109.9	R52	S50-R52 PolarHBondContact O-N 2.76Å
51	P	32.3	Very low	34.1	Very low	127 Å²	127	140.7 Å²	140.7	83%	0.825	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-69.2	120	175.5	23	-20.6	0	0	0	108.8	R53	P51-R53 PolarHBondContact O-N 3.16Å
52	R	28.4	Very low	35.9	Very low	244 Å²	244	137 Å²	137	92%	0.921	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-73.8	129.1	176.6	-79.9	-172.7	-179	-173.1	1.1	109.7	S50	S50-R52 PolarHBondContact O-N 2.76Å
53	R	27.5	Very low	38.3	Very low	233 Å²	233	134.2 Å²	134.2	88%	0.879	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-56.1	146.3	175.4	-73.6	171.7	168.7	173.8	-4.9	111.1	P51 D55	P51-R53 PolarHBondContact O-N 3.16Å; R53-D55 PolarHBondContact O-N 2.86Å
54	A	31	Very low	41	Very low	92 Å²	92	129.9 Å²	129.9	76%	0.76	68%	0.68	S	S	*	*			trans	-59.4	102	166.4	0	0	0	0	0	109.9
55	D	34.2	Very low	43.7	Very low	149 Å²	149	123.8 Å²	123.8	80%	0.797	65%	0.652	S	S	*	*			trans	-133.7	78.5	151.9	-93.7	-30.1	0	0	0	104.7	R53 S57	R53-D55 PolarHBondContact O-N 2.86Å; D55-S57 PolarHBondContact O-N 3.46Å
56	D	35.9	Very low	46.5	Very low	153 Å²	153	126.5 Å²	126.5	82%	0.818	66%	0.655	S	S	*	*			trans	-70.4	75.5	169.6	-77.8	-28.4	0	0	0	108	F58	D56-F58 PolarHBondContact O-N 2.88Å; D56-F58 VanDerWaalsContact O-N 3.13Å
57	S	41.5	Very low	49.5	Very low	106 Å²	106	117.6 Å²	117.6	74%	0.741	63%	0.625	S	S	*	*			trans	-68.6	106.4	164.5	58.9	0	0	0	0	107.2	D55	D55-S57 PolarHBondContact O-N 3.46Å
58	F	43.9	Very low	52.4	Low	176 Å²	176	106 Å²	106	77%	0.772	58%	0.581	S	S	*	*			trans	-44.9	128.9	174.1	-71.9	-88.2	0	0	0	110.1	D56 S60	D56-F58 PolarHBondContact O-N 2.88Å; D56-F58 VanDerWaalsContact O-N 3.13Å; F58-S60 PolarHBondContact O-N 2.96Å
59	P	50.6	Low	55.4	Low	60 Å²	60	105.1 Å²	105.1	39%	0.39	57%	0.569	S	S	.	*			trans	-57.6	138	176.4	-11.7	21.5	0	0	0	109	S63 L64	P59-S63 WeakPolarHBondContact CB-OG 3.44Å; P59-L64 HydrophobicContact CB-CD1 3.89Å; P59-L64 HydrophobicContact CB-CG 4.01Å; P59-L64 HydrophobicContact CG-CD1 4.1Å; P59-L64 HydrophobicContact CG-CG 4.23Å
60	S	61.3	Low	58.4	Low	72 Å²	72	105.1 Å²	105.1	50%	0.503	56%	0.557	S	S	.	*			trans	-54.4	151.1	168.5	65.7	0	0	0	0	110.6	F58 T62 S63 L64	F58-S60 PolarHBondContact O-N 2.96Å; S60-T62 PolarHBondContact O-N 2.86Å; S60-T62 VanDerWaalsContact O-N 3.17Å; S60-S63 PolarHBondContact N-OG 3.03Å; S60-S63 PolarHBondContact O-N 2.87Å; S60-S63 PolarHBondContact O-OG 3.43Å; S60-S63 WeakPolarHBondContact OG-CB 3.25Å; S60-S63 PolarHBondContact OG-N 2.9Å; S60-S63 PolarHBondContact OG-OG 3.22Å; S60-S63 VanDerWaalsContact OG-OG 3.08Å; S60-L64 PolarHBondContact O-N 2.96Å; S60-L64 VanDerWaalsContact O-N 3.07Å
61	S	62.7	Low	61.5	Low	70 Å²	70	101.8 Å²	101.8	49%	0.49	53%	0.531	S	S	.	.	H	α-helix	trans	-54.2	-36.1	178.9	54.5	0	0	0	0	112.7	L64 S65 L87	S61-L64 PolarHBondContact O-N 3.29Å; S61-S65 PolarHBondContact O-N 3.35Å; S61-L87 WeakPolarHBondContact O-CD2 3.4Å
62	T	65.7	Low	64.4	Low	92 Å²	92	98 Å²	98	56%	0.564	50%	0.5	S	S	*	.	H	α-helix	trans	-63.2	-47.5	174.7	-43.4	0	0	0	0	112	S60 L64 S65 E66	S60-T62 PolarHBondContact O-N 2.86Å; S60-T62 VanDerWaalsContact O-N 3.17Å; T62-L64 VanDerWaalsContact C-N 3.32Å; T62-L64 PolarHBondContact O-N 3.33Å; T62-S65 PolarHBondContact O-N 3.31Å; T62-E66 PolarHBondContact O-N 3.45Å
63	S	79.2	Confident	67.1	Low	38 Å²	38	92.3 Å²	92.3	27%	0.266	49%	0.488	S	S	.	.	H	α-helix	trans	-64.8	-34.1	179.4	62.7	0	0	0	0	113.4	P59 S60 L67	P59-S63 WeakPolarHBondContact CB-OG 3.44Å; S60-S63 PolarHBondContact N-OG 3.03Å; S60-S63 PolarHBondContact O-N 2.87Å; S60-S63 PolarHBondContact O-OG 3.43Å; S60-S63 WeakPolarHBondContact OG-CB 3.25Å; S60-S63 PolarHBondContact OG-N 2.9Å; S60-S63 PolarHBondContact OG-OG 3.22Å; S60-S63 VanDerWaalsContact OG-OG 3.08Å; S63-L67 WeakPolarHBondContact O-CB 3.45Å; S63-L67 PolarHBondContact O-N 3.17Å; S63-L67 VanDerWaalsContact O-N 3.11Å
64	L	83.2	Confident	70.1	Confident	1 Å²	1	84.9 Å²	84.9	1%	0.005	48%	0.476	C	S	.	.	H	α-helix	trans	-66.7	-38.3	175.4	-102.7	143.8	0	0	0	112.1	P59 S60 S61 T62 L67 A68 H83 L87	P59-L64 HydrophobicContact CB-CD1 3.89Å; P59-L64 HydrophobicContact CB-CG 4.01Å; P59-L64 HydrophobicContact CG-CD1 4.1Å; P59-L64 HydrophobicContact CG-CG 4.23Å; S60-L64 PolarHBondContact O-N 2.96Å; S60-L64 VanDerWaalsContact O-N 3.07Å; S61-L64 PolarHBondContact O-N 3.29Å; T62-L64 VanDerWaalsContact C-N 3.32Å; T62-L64 PolarHBondContact O-N 3.33Å; L64-L67 PolarHBondContact O-N 2.99Å; L64-A68 PolarHBondContact O-N 2.76Å; L64-H83 HydrophobicContact CD2-CB 3.82Å; L64-L87 HydrophobicContact CB-CD1 4.13Å; L64-L87 HydrophobicContact CB-CD2 3.76Å; L64-L87 HydrophobicContact CB-CG 4.04Å
65	S	83.8	Confident	72.9	Confident	41 Å²	41	83.2 Å²	83.2	29%	0.287	46%	0.463	S	S	.	.	H	α-helix	trans	-69.4	-40.7	-179.9	-170.4	0	0	0	0	112.1	S61 T62 A68 H69	S61-S65 PolarHBondContact O-N 3.35Å; T62-S65 PolarHBondContact O-N 3.31Å; S65-A68 PolarHBondContact O-N 2.85Å; S65-H69 PolarHBondContact O-N 3.18Å; S65-H69 VanDerWaalsContact O-N 3.09Å
66	E	85.4	Confident	75.6	Confident	136 Å²	136	79.9 Å²	79.9	64%	0.636	44%	0.444	S	S	*	.	H	α-helix	trans	-65.5	-40.6	175.6	-70.2	175.8	173.3	0	0	111.4	T62 H69 R70	T62-E66 PolarHBondContact O-N 3.45Å; E66-H69 PolarHBondContact O-N 3.22Å; E66-R70 WeakPolarHBondContact O-CB 3.09Å; E66-R70 PolarHBondContact O-N 2.63Å
67	L	87.9	Confident	78.3	Confident	51 Å²	51	75.5 Å²	75.5	27%	0.267	42%	0.417	S	S	.	.	H	α-helix	trans	-57.4	-51.3	173	-93.2	159.4	0	0	0	111.5	S63 L64 H69 R70 E71	S63-L67 WeakPolarHBondContact O-CB 3.45Å; S63-L67 PolarHBondContact O-N 3.17Å; S63-L67 VanDerWaalsContact O-N 3.11Å; L64-L67 PolarHBondContact O-N 2.99Å; L67-H69 VanDerWaalsContact C-N 3.31Å; L67-H69 PolarHBondContact O-N 2.67Å; L67-R70 PolarHBondContact O-N 2.86Å; L67-E71 WeakPolarHBondContact O-CB 3.23Å; L67-E71 VanDerWaalsContact O-CG 3.28Å; L67-E71 WeakPolarHBondContact O-CG 3.08Å; L67-E71 PolarHBondContact O-N 2.98Å
68	A	88	Confident	80.6	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-60.8	-40.2	-179.4	0	0	0	0	0	112.4	L64 S65 E71 Y72 H83 L100	L64-A68 PolarHBondContact O-N 2.76Å; S65-A68 PolarHBondContact O-N 2.85Å; A68-E71 PolarHBondContact O-N 3.02Å; A68-Y72 WeakPolarHBondContact O-CB 3.47Å; A68-Y72 PolarHBondContact O-N 2.8Å; A68-H83 HydrophobicContact CB-CB 3.96Å; A68-L100 HydrophobicContact CB-CD2 3.95Å
69	H	87.9	Confident	82.8	Confident	99 Å²	99	67.5 Å²	67.5	46%	0.458	38%	0.375	S	S	.	.	H	α-helix	trans	-67.3	-41.8	177.2	-164.3	79.7	0	0	0	111.8	S65 E66 L67 Y72 L73 L100	S65-H69 PolarHBondContact O-N 3.18Å; S65-H69 VanDerWaalsContact O-N 3.09Å; E66-H69 PolarHBondContact O-N 3.22Å; L67-H69 VanDerWaalsContact C-N 3.31Å; L67-H69 PolarHBondContact O-N 2.67Å; H69-Y72 PolarHBondContact O-N 3.18Å; H69-L73 WeakPolarHBondContact O-CG 3.23Å; H69-L73 PolarHBondContact O-N 2.89Å; H69-L100 HydrophobicContact CB-CD2 4.45Å
70	R	89.4	Confident	84.7	Confident	170 Å²	170	64.7 Å²	64.7	64%	0.642	36%	0.356	S	S	*	.	H	α-helix	trans	-64.1	-40.5	176.6	-168.3	-179.7	73	179.2	2.5	112	E66 L67 L73 A74	E66-R70 WeakPolarHBondContact O-CB 3.09Å; E66-R70 PolarHBondContact O-N 2.63Å; L67-R70 PolarHBondContact O-N 2.86Å; R70-L73 PolarHBondContact O-N 3.42Å; R70-A74 WeakPolarHBondContact O-CB 3.36Å; R70-A74 PolarHBondContact O-N 2.83Å
71	E	92.3	Very high	86.2	Confident	27 Å²	27	62.5 Å²	62.5	13%	0.126	34%	0.338	C	S	.	.	H	α-helix	trans	-64.7	-41.5	176	-73.3	166.2	172.5	0	0	111.5	L67 A68 A74 A75 D76 A79 A80 H83	L67-E71 WeakPolarHBondContact O-CB 3.23Å; L67-E71 VanDerWaalsContact O-CG 3.28Å; L67-E71 WeakPolarHBondContact O-CG 3.08Å; L67-E71 PolarHBondContact O-N 2.98Å; A68-E71 PolarHBondContact O-N 3.02Å; E71-A74 CarbonylContact O-C 3.48Å; E71-A74 PolarHBondContact O-N 2.77Å; E71-A75 PolarHBondContact O-N 2.65Å; E71-A75 VanDerWaalsContact O-N 3.16Å; E71-D76 HydrophobicContact CB-CB 4.38Å; E71-D76 PolarHBondContact O-N 3.38Å; E71-A79 HydrophobicContact CB-CB 4.4Å; E71-A79 VanDerWaalsContact CD-CB 3.47Å; E71-A79 HydrophobicContact CG-CB 4.09Å; E71-A79 WeakPolarHBondContact OE2-CB 3.48Å; E71-A80 HydrophobicContact CB-CB 3.95Å; E71-A80 WeakPolarHBondContact OE2-CA 3.16Å; E71-A80 PolarHBondContact OE2-N 2.95Å; E71-H83 VanDerWaalsContact CD-ND1 3.31Å; E71-H83 IonicContact OE1-CE1 2.74Å; E71-H83 PolarHBondContact OE1-CE1 3.24Å; E71-H83 IonicContact OE1-ND1 3.49Å; E71-H83 PolarHBondContact OE1-ND1 2.99Å; E71-H83 VanDerWaalsContact OE1-ND1 3.13Å; E71-H83 IonicContact OE2-CE1 3.13Å; E71-H83 IonicContact OE2-CG 2.77Å; E71-H83 IonicContact OE2-ND1 3.21Å; E71-H83 PolarHBondContact OE2-ND1 2.92Å
72	Y	91.4	Very high	87.6	Confident	47 Å²	47	66.5 Å²	66.5	18%	0.184	34%	0.342	C	S	.	.	H	α-helix	trans	-59.8	-47.2	172.8	174	-98.9	0	0	0	112.2	A68 H69 A74 A75 Y77 L100 V104 Q107	A68-Y72 WeakPolarHBondContact O-CB 3.47Å; A68-Y72 PolarHBondContact O-N 2.8Å; H69-Y72 PolarHBondContact O-N 3.18Å; Y72-A74 PolarHBondContact O-N 2.88Å; Y72-A75 WeakPolarHBondContact O-CA 3.3Å; Y72-A75 PolarHBondContact O-N 2.97Å; Y72-Y77 AromaticContact CD2-CD1 3.96Å; Y72-Y77 HydrophobicContact CD2-CD1 3.96Å; Y72-Y77 AromaticContact CD2-CE1 3.77Å; Y72-Y77 HydrophobicContact CD2-CE1 3.77Å; Y72-Y77 HydrophobicContact CE2-CD1 4.32Å; Y72-Y77 AromaticContact CE2-CE1 3.84Å; Y72-Y77 HydrophobicContact CE2-CE1 3.84Å; Y72-L100 HydrophobicContact CD1-CD1 4.06Å; Y72-L100 HydrophobicContact CD2-CD1 4.14Å; Y72-L100 HydrophobicContact CG-CD1 3.74Å; Y72-V104 HydrophobicContact CD2-CG2 3.64Å; Y72-V104 HydrophobicContact CE2-CG2 4.31Å; Y72-V104 HydrophobicContact CG-CG2 4.5Å; Y72-Q107 HydrophobicContact CE2-CG 3.84Å; Y72-Q107 PolarHBondContact OH-NE2 3.35Å
73	L	87.2	Confident	88.8	Confident	126 Å²	126	64 Å²	64	66%	0.66	32%	0.324	S	S	*	.	H	α-helix	trans	-64.5	-28.7	177.2	-68.1	175.5	0	0	0	112.7	H69 R70 A75	H69-L73 WeakPolarHBondContact O-CG 3.23Å; H69-L73 PolarHBondContact O-N 2.89Å; R70-L73 PolarHBondContact O-N 3.42Å; L73-A75 PolarHBondContact O-N 3.1Å
74	A	90	Very high	89.4	Confident	77 Å²	77	62.1 Å²	62.1	64%	0.636	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	3.6	173.3	0	0	0	0	0	113.7	R70 E71 Y72 D76	R70-A74 WeakPolarHBondContact O-CB 3.36Å; R70-A74 PolarHBondContact O-N 2.83Å; E71-A74 CarbonylContact O-C 3.48Å; E71-A74 PolarHBondContact O-N 2.77Å; Y72-A74 PolarHBondContact O-N 2.88Å; A74-D76 PolarHBondContact O-N 3.19Å
75	A	88.6	Confident	89.8	Confident	57 Å²	57	63.8 Å²	63.8	47%	0.471	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	20.5	-174.7	0	0	0	0	0	115.3	E71 Y72 L73 Y77	E71-A75 PolarHBondContact O-N 2.65Å; E71-A75 VanDerWaalsContact O-N 3.16Å; Y72-A75 WeakPolarHBondContact O-CA 3.3Å; Y72-A75 PolarHBondContact O-N 2.97Å; L73-A75 PolarHBondContact O-N 3.1Å; A75-Y77 VanDerWaalsContact C-N 3.33Å; A75-Y77 HydrophobicContact CB-CE2 4.12Å; A75-Y77 WeakPolarHBondContact O-CD2 3.41Å; A75-Y77 PolarHBondContact O-N 3.44Å
76	D	92.1	Very high	90.1	Very high	78 Å²	78	65.1 Å²	65.1	42%	0.417	32%	0.321	S	S	.	.			trans	-86.9	75	169.8	-170.5	-12.8	0	0	0	110	E71 A74 D78 A79 A80	E71-D76 HydrophobicContact CB-CB 4.38Å; E71-D76 PolarHBondContact O-N 3.38Å; A74-D76 PolarHBondContact O-N 3.19Å; D76-D78 VanDerWaalsContact C-N 3.31Å; D76-D78 PolarHBondContact O-N 2.88Å; D76-A79 HydrophobicContact CB-CB 4.39Å; D76-A79 VanDerWaalsContact CG-CB 3.45Å; D76-A79 PolarHBondContact O-N 2.95Å; D76-A79 WeakPolarHBondContact OD1-CB 3.44Å; D76-A79 PolarHBondContact OD1-N 2.99Å; D76-A79 VanDerWaalsContact OD1-N 3.11Å; D76-A79 WeakPolarHBondContact OD2-CB 3.45Å; D76-A80 WeakPolarHBondContact O-CB 3.37Å; D76-A80 PolarHBondContact O-N 3.29Å; D76-A80 VanDerWaalsContact O-N 3.08Å
77	Y	92.2	Very high	90.3	Very high	61 Å²	61	59 Å²	59	24%	0.239	29%	0.293	C	S	.	.	H	α-helix	trans	-66.9	-29.7	-174.4	-59.6	-53.8	0	0	0	113.6	Y72 A75 E81 V104 Q107 C108	Y72-Y77 AromaticContact CD2-CD1 3.96Å; Y72-Y77 HydrophobicContact CD2-CD1 3.96Å; Y72-Y77 AromaticContact CD2-CE1 3.77Å; Y72-Y77 HydrophobicContact CD2-CE1 3.77Å; Y72-Y77 HydrophobicContact CE2-CD1 4.32Å; Y72-Y77 AromaticContact CE2-CE1 3.84Å; Y72-Y77 HydrophobicContact CE2-CE1 3.84Å; A75-Y77 VanDerWaalsContact C-N 3.33Å; A75-Y77 HydrophobicContact CB-CE2 4.12Å; A75-Y77 WeakPolarHBondContact O-CD2 3.41Å; A75-Y77 PolarHBondContact O-N 3.44Å; Y77-E81 VanDerWaalsContact O-CB 3.31Å; Y77-E81 WeakPolarHBondContact O-CB 3.33Å; Y77-E81 PolarHBondContact O-N 3.46Å; Y77-V104 HydrophobicContact CD1-CG1 4.49Å; Y77-V104 WeakPolarHBondContact O-CG1 3.5Å; Y77-Q107 HydrophobicContact CD1-CB 4.24Å; Y77-Q107 HydrophobicContact CE1-CB 3.65Å; Y77-Q107 HydrophobicContact CE1-CG 3.84Å; Y77-Q107 HydrophobicContact CE2-CB 4.01Å; Y77-C108 VanDerWaalsContact CB-SG 3.53Å
78	D	89.8	Confident	90.3	Very high	112 Å²	112	59.4 Å²	59.4	60%	0.599	29%	0.291	S	S	*	.	H	α-helix	trans	-73.2	-39.8	179.7	-77.3	-45	0	0	0	111.8	D76 R82	D76-D78 VanDerWaalsContact C-N 3.31Å; D76-D78 PolarHBondContact O-N 2.88Å; D78-R82 WeakPolarHBondContact O-CG 3.39Å; D78-R82 PolarHBondContact O-N 2.93Å; D78-R82 VanDerWaalsContact O-N 3.14Å; D78-R82 PolarHBondContact O-NE 3.3Å
79	A	89.4	Confident	90.4	Very high	3 Å²	3	68.7 Å²	68.7	3%	0.025	33%	0.326	C	S	.	.	H	α-helix	trans	-67.2	-46.2	172.6	0	0	0	0	0	111.4	E71 D76 E81 R82 H83	E71-A79 HydrophobicContact CB-CB 4.4Å; E71-A79 VanDerWaalsContact CD-CB 3.47Å; E71-A79 HydrophobicContact CG-CB 4.09Å; E71-A79 WeakPolarHBondContact OE2-CB 3.48Å; D76-A79 HydrophobicContact CB-CB 4.39Å; D76-A79 VanDerWaalsContact CG-CB 3.45Å; D76-A79 PolarHBondContact O-N 2.95Å; D76-A79 WeakPolarHBondContact OD1-CB 3.44Å; D76-A79 PolarHBondContact OD1-N 2.99Å; D76-A79 VanDerWaalsContact OD1-N 3.11Å; D76-A79 WeakPolarHBondContact OD2-CB 3.45Å; A79-E81 VanDerWaalsContact C-N 3.32Å; A79-E81 PolarHBondContact O-N 3.34Å; A79-R82 PolarHBondContact O-N 3.22Å; A79-R82 VanDerWaalsContact O-N 3.13Å; A79-H83 PolarHBondContact O-N 3.44Å; A79-H83 PolarHBondContact O-ND1 2.66Å
80	A	91.5	Very high	90.4	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-58.4	-43.2	177	0	0	0	0	0	111.7	E71 D76 C84 V104	E71-A80 HydrophobicContact CB-CB 3.95Å; E71-A80 WeakPolarHBondContact OE2-CA 3.16Å; E71-A80 PolarHBondContact OE2-N 2.95Å; D76-A80 WeakPolarHBondContact O-CB 3.37Å; D76-A80 PolarHBondContact O-N 3.29Å; D76-A80 VanDerWaalsContact O-N 3.08Å; A80-C84 WeakPolarHBondContact O-CB 3.12Å; A80-C84 PolarHBondContact O-N 2.97Å; A80-C84 PolarHBondContact O-SG 2.99Å; A80-V104 HydrophobicContact CB-CG2 4Å
81	E	93	Very high	90.3	Very high	27 Å²	27	64.5 Å²	64.5	13%	0.126	32%	0.316	C	S	.	.	H	α-helix	trans	-61.8	-46.1	175.6	-174	175.6	175.5	0	0	111.2	Y77 A79 H83 C84 M85 L101 V104 H105 R110 R113	Y77-E81 VanDerWaalsContact O-CB 3.31Å; Y77-E81 WeakPolarHBondContact O-CB 3.33Å; Y77-E81 PolarHBondContact O-N 3.46Å; A79-E81 VanDerWaalsContact C-N 3.32Å; A79-E81 PolarHBondContact O-N 3.34Å; E81-H83 PolarHBondContact O-N 2.9Å; E81-C84 PolarHBondContact O-N 3.11Å; E81-M85 HydrophobicContact CG-CG 4.04Å; E81-M85 VanDerWaalsContact O-CB 3.28Å; E81-M85 WeakPolarHBondContact O-CB 3.38Å; E81-M85 WeakPolarHBondContact O-CG 3.29Å; E81-M85 PolarHBondContact O-N 2.85Å; E81-L101 HydrophobicContact CG-CD2 4.33Å; E81-V104 HydrophobicContact CB-CG1 4.16Å; E81-H105 IonicContact OE1-CE1 3.21Å; E81-H105 PolarHBondContact OE1-CE1 3.08Å; E81-H105 IonicContact OE1-NE2 3.42Å; E81-H105 PolarHBondContact OE1-NE2 3.41Å; E81-H105 IonicContact OE2-CE1 3.74Å; E81-R110 IonicContact OE1-NH1 3.29Å; E81-R110 PolarHBondContact OE1-NH1 3.22Å; E81-R110 IonicContact OE2-CZ 2.87Å; E81-R110 IonicContact OE2-NH1 3.74Å; E81-R110 PolarHBondContact OE2-NH1 3.02Å; E81-R110 IonicContact OE2-NH2 3.82Å; E81-R110 PolarHBondContact OE2-NH2 3.5Å; E81-R113 IonicContact OE1-NH1 3.34Å; E81-R113 PolarHBondContact OE1-NH1 3.45Å
82	R	91.6	Very high	90.1	Very high	154 Å²	154	66.9 Å²	66.9	58%	0.581	33%	0.334	S	S	*	.	H	α-helix	trans	-59.4	-47.9	179.7	-79.1	-177.3	-70.3	116.4	-4.8	112.2	D78 A79 M85 Q86	D78-R82 WeakPolarHBondContact O-CG 3.39Å; D78-R82 PolarHBondContact O-N 2.93Å; D78-R82 VanDerWaalsContact O-N 3.14Å; D78-R82 PolarHBondContact O-NE 3.3Å; A79-R82 PolarHBondContact O-N 3.22Å; A79-R82 VanDerWaalsContact O-N 3.13Å; R82-M85 PolarHBondContact O-N 2.97Å; R82-Q86 PolarHBondContact O-N 3.06Å
83	H	90.7	Very high	89.9	Confident	38 Å²	38	69 Å²	69	18%	0.176	35%	0.352	C	S	.	.	H	α-helix	trans	-68.1	-42.1	179.6	-68.5	143.7	0	0	0	112.1	L64 A68 E71 A79 E81 M85 Q86 L87	L64-H83 HydrophobicContact CD2-CB 3.82Å; A68-H83 HydrophobicContact CB-CB 3.96Å; E71-H83 VanDerWaalsContact CD-ND1 3.31Å; E71-H83 IonicContact OE1-CE1 2.74Å; E71-H83 PolarHBondContact OE1-CE1 3.24Å; E71-H83 IonicContact OE1-ND1 3.49Å; E71-H83 PolarHBondContact OE1-ND1 2.99Å; E71-H83 VanDerWaalsContact OE1-ND1 3.13Å; E71-H83 IonicContact OE2-CE1 3.13Å; E71-H83 IonicContact OE2-CG 2.77Å; E71-H83 IonicContact OE2-ND1 3.21Å; E71-H83 PolarHBondContact OE2-ND1 2.92Å; A79-H83 PolarHBondContact O-N 3.44Å; A79-H83 PolarHBondContact O-ND1 2.66Å; E81-H83 PolarHBondContact O-N 2.9Å; H83-M85 PolarHBondContact O-N 2.8Å; H83-Q86 WeakPolarHBondContact O-CB 3.49Å; H83-Q86 PolarHBondContact O-N 2.94Å; H83-L87 WeakPolarHBondContact O-CG 3.37Å; H83-L87 PolarHBondContact O-N 3.12Å
84	C	91.8	Very high	90.1	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-61.5	-41.7	173.4	-78	0	0	0	0	112.5	A80 E81 Q86 L87 W88 V97 L100 L101	A80-C84 WeakPolarHBondContact O-CB 3.12Å; A80-C84 PolarHBondContact O-N 2.97Å; A80-C84 PolarHBondContact O-SG 2.99Å; E81-C84 PolarHBondContact O-N 3.11Å; C84-Q86 VanDerWaalsContact C-N 3.3Å; C84-Q86 PolarHBondContact O-N 2.74Å; C84-L87 PolarHBondContact O-N 3.11Å; C84-W88 VanDerWaalsContact O-CB 3.26Å; C84-W88 WeakPolarHBondContact O-CB 3.16Å; C84-W88 PolarHBondContact O-N 3.28Å; C84-V97 HydrophobicContact CB-CG1 4.08Å; C84-V97 VanDerWaalsContact O-CG1 3.27Å; C84-V97 WeakPolarHBondContact O-CG1 3.41Å; C84-L100 VanDerWaalsContact SG-CD2 3.51Å; C84-L101 HydrophobicContact CB-CD1 4.27Å; C84-L101 HydrophobicContact CB-CD2 3.44Å; C84-L101 VanDerWaalsContact CB-CD2 3.44Å; C84-L101 HydrophobicContact CB-CG 3.63Å
85	M	91.3	Very high	90	Very high	35 Å²	35	64 Å²	64	17%	0.172	31%	0.314	C	S	.	.	H	α-helix	trans	-65.9	-33.4	177.2	-72.6	-65.7	-68.5	0	0	111.8	E81 R82 H83 W88 R89 L101 F117	E81-M85 HydrophobicContact CG-CG 4.04Å; E81-M85 VanDerWaalsContact O-CB 3.28Å; E81-M85 WeakPolarHBondContact O-CB 3.38Å; E81-M85 WeakPolarHBondContact O-CG 3.29Å; E81-M85 PolarHBondContact O-N 2.85Å; R82-M85 PolarHBondContact O-N 2.97Å; H83-M85 PolarHBondContact O-N 2.8Å; M85-W88 HydrophobicContact CE-CE3 3.82Å; M85-W88 HydrophobicContact CE-CZ3 3.83Å; M85-W88 HydrophobicContact SD-CE3 3.76Å; M85-W88 HydrophobicContact SD-CZ3 4.18Å; M85-R89 VanDerWaalsContact O-CG 3.29Å; M85-R89 WeakPolarHBondContact O-CG 3.38Å; M85-R89 PolarHBondContact O-N 3.43Å; M85-R89 VanDerWaalsContact O-N 3.08Å; M85-L101 HydrophobicContact CG-CD2 4.19Å; M85-L101 HydrophobicContact SD-CD1 4.29Å; M85-L101 HydrophobicContact SD-CD2 4.14Å; M85-F117 HydrophobicContact SD-CZ 4.27Å
86	Q	90.8	Very high	90.1	Very high	69 Å²	69	64.5 Å²	64.5	32%	0.322	31%	0.314	S	S	.	.	H	α-helix	trans	-66.4	-45.5	172.5	-177.5	174.6	-7.9	0	0	111.5	R82 H83 C84 R89 Q90	R82-Q86 PolarHBondContact O-N 3.06Å; H83-Q86 WeakPolarHBondContact O-CB 3.49Å; H83-Q86 PolarHBondContact O-N 2.94Å; C84-Q86 VanDerWaalsContact C-N 3.3Å; C84-Q86 PolarHBondContact O-N 2.74Å; Q86-R89 PolarHBondContact O-N 3.02Å; Q86-Q90 WeakPolarHBondContact O-CG 3.25Å; Q86-Q90 PolarHBondContact O-N 3.32Å
87	L	88.8	Confident	90	Very high	8 Å²	8	60.8 Å²	60.8	4%	0.042	29%	0.294	C	S	.	.	H	α-helix	trans	-63.9	-41.1	175.7	-70.6	168	0	0	0	112.1	S61 L64 H83 C84 R89 Q90 D91 V97	S61-L87 WeakPolarHBondContact O-CD2 3.4Å; L64-L87 HydrophobicContact CB-CD1 4.13Å; L64-L87 HydrophobicContact CB-CD2 3.76Å; L64-L87 HydrophobicContact CB-CG 4.04Å; H83-L87 WeakPolarHBondContact O-CG 3.37Å; H83-L87 PolarHBondContact O-N 3.12Å; C84-L87 PolarHBondContact O-N 3.11Å; L87-R89 VanDerWaalsContact C-N 3.33Å; L87-R89 PolarHBondContact O-N 3.48Å; L87-Q90 WeakPolarHBondContact O-CB 3.47Å; L87-Q90 PolarHBondContact O-N 2.79Å; L87-D91 PolarHBondContact O-N 3.38Å; L87-V97 HydrophobicContact CB-CG1 4.15Å; L87-V97 HydrophobicContact CB-CG2 3.84Å; L87-V97 HydrophobicContact CD1-CG2 4.08Å
88	W	89	Confident	90.1	Very high	60 Å²	60	58 Å²	58	23%	0.227	28%	0.283	C	S	.	.	H	α-helix	trans	-66.3	-33.2	179	-177.2	53.5	0	0	0	112.6	C84 M85 Q90 D91 P92 V97 L101 F117 M120	C84-W88 VanDerWaalsContact O-CB 3.26Å; C84-W88 WeakPolarHBondContact O-CB 3.16Å; C84-W88 PolarHBondContact O-N 3.28Å; M85-W88 HydrophobicContact CE-CE3 3.82Å; M85-W88 HydrophobicContact CE-CZ3 3.83Å; M85-W88 HydrophobicContact SD-CE3 3.76Å; M85-W88 HydrophobicContact SD-CZ3 4.18Å; W88-Q90 VanDerWaalsContact C-N 3.26Å; W88-Q90 PolarHBondContact O-N 2.95Å; W88-D91 CarbonylContact O-C 3.15Å; W88-P92 PolarHBondContact NE1-O 3.09Å; W88-P92 VanDerWaalsContact O-CA 3.25Å; W88-P92 WeakPolarHBondContact O-CA 3.12Å; W88-V97 HydrophobicContact CB-CG1 3.96Å; W88-L101 HydrophobicContact CB-CD1 4.19Å; W88-L101 HydrophobicContact CG-CD1 4.29Å; W88-F117 HydrophobicContact CD2-CE1 4.48Å; W88-F117 HydrophobicContact CE3-CE1 4.39Å; W88-F117 HydrophobicContact CH2-CE1 4.28Å; W88-F117 HydrophobicContact CZ2-CE1 4.37Å; W88-F117 HydrophobicContact CZ3-CE1 4.29Å; W88-M120 HydrophobicContact CH2-CE 4.46Å; W88-M120 HydrophobicContact CH2-SD 4.34Å; W88-M120 HydrophobicContact CZ2-CE 4.24Å; W88-M120 HydrophobicContact CZ2-SD 3.64Å
89	R	89.6	Confident	90.3	Very high	195 Å²	195	54 Å²	54	74%	0.736	26%	0.262	S	S	*	.	H	α-helix	trans	-67	-28	171.8	-75.2	172.7	-173.4	164.4	3.3	112.8	M85 Q86 L87	M85-R89 VanDerWaalsContact O-CG 3.29Å; M85-R89 WeakPolarHBondContact O-CG 3.38Å; M85-R89 PolarHBondContact O-N 3.43Å; M85-R89 VanDerWaalsContact O-N 3.08Å; Q86-R89 PolarHBondContact O-N 3.02Å; L87-R89 VanDerWaalsContact C-N 3.33Å; L87-R89 PolarHBondContact O-N 3.48Å
90	Q	87.6	Confident	90.5	Very high	116 Å²	116	54.7 Å²	54.7	54%	0.542	27%	0.265	S	S	.	.	H	α-helix	trans	-79.1	-41.7	176.9	-66.6	174.5	-2.3	0	0	111.4	Q86 L87 W88	Q86-Q90 WeakPolarHBondContact O-CG 3.25Å; Q86-Q90 PolarHBondContact O-N 3.32Å; L87-Q90 WeakPolarHBondContact O-CB 3.47Å; L87-Q90 PolarHBondContact O-N 2.79Å; W88-Q90 VanDerWaalsContact C-N 3.26Å; W88-Q90 PolarHBondContact O-N 2.95Å
91	D	88.1	Confident	90.6	Very high	65 Å²	65	54.7 Å²	54.7	35%	0.348	27%	0.265	S	S	.	.			trans	-137.2	97.5	174.2	178.5	4.5	0	0	0	110.6	L87 W88 T93 N94	L87-D91 PolarHBondContact O-N 3.38Å; W88-D91 CarbonylContact O-C 3.15Å; D91-T93 PolarHBondContact O-N 2.91Å; D91-T93 VanDerWaalsContact O-N 3.13Å; D91-T93 WeakPolarHBondContact OD1-CA 3.48Å; D91-T93 PolarHBondContact OD1-N 2.91Å; D91-T93 PolarHBondContact OD1-OG1 3.16Å; D91-N94 HydrophobicContact CB-CB 4.09Å; D91-N94 WeakPolarHBondContact O-CB 3.47Å; D91-N94 PolarHBondContact O-N 2.96Å; D91-N94 PolarHBondContact OD1-N 2.79Å
92	P	87.8	Confident	90.7	Very high	77 Å²	77	53.4 Å²	53.4	50%	0.5	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.2	180	-25.4	35.5	0	0	0	114.9	W88	W88-P92 PolarHBondContact NE1-O 3.09Å; W88-P92 VanDerWaalsContact O-CA 3.25Å; W88-P92 WeakPolarHBondContact O-CA 3.12Å
93	T	87.1	Confident	90.8	Very high	92 Å²	92	47.2 Å²	47.2	56%	0.564	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.4	2.3	-177.9	53.8	0	0	0	0	113.5	D91 I95	D91-T93 PolarHBondContact O-N 2.91Å; D91-T93 VanDerWaalsContact O-N 3.13Å; D91-T93 WeakPolarHBondContact OD1-CA 3.48Å; D91-T93 PolarHBondContact OD1-N 2.91Å; D91-T93 PolarHBondContact OD1-OG1 3.16Å; T93-I95 PolarHBondContact O-N 3.25Å
94	N	90.5	Very high	90.9	Very high	47 Å²	47	45.4 Å²	45.4	25%	0.251	23%	0.231	S	C	.	.			trans	-66.4	104.9	179.6	-171	-29.9	0	0	0	111.7	D91 S96 V97 L98	D91-N94 HydrophobicContact CB-CB 4.09Å; D91-N94 WeakPolarHBondContact O-CB 3.47Å; D91-N94 PolarHBondContact O-N 2.96Å; D91-N94 PolarHBondContact OD1-N 2.79Å; N94-S96 PolarHBondContact O-N 2.91Å; N94-S96 PolarHBondContact OD1-N 2.86Å; N94-S96 PolarHBondContact OD1-OG 3.42Å; N94-V97 HydrophobicContact CB-CB 4.2Å; N94-V97 HydrophobicContact CB-CG2 4.14Å; N94-V97 PolarHBondContact O-N 3.27Å; N94-V97 PolarHBondContact OD1-N 3.36Å; N94-L98 WeakPolarHBondContact O-CG 3.34Å; N94-L98 PolarHBondContact O-N 2.98Å
95	I	89.8	Confident	91	Very high	49 Å²	49	45.4 Å²	45.4	25%	0.251	23%	0.231	S	C	.	.	H	α-helix	trans	-62.6	-41.7	-174.4	-58.4	160.3	0	0	0	111.8	T93 V97 L98 L99 A124 N125 C128	T93-I95 PolarHBondContact O-N 3.25Å; I95-V97 VanDerWaalsContact C-N 3.33Å; I95-V97 PolarHBondContact O-N 3.16Å; I95-L98 PolarHBondContact O-N 3.49Å; I95-L99 HydrophobicContact CG2-CD1 4.02Å; I95-L99 HydrophobicContact CG2-CG 4.2Å; I95-L99 WeakPolarHBondContact O-CG 3.45Å; I95-L99 PolarHBondContact O-N 2.84Å; I95-A124 HydrophobicContact CG1-CB 4.19Å; I95-N125 HydrophobicContact CD1-CB 3.38Å; I95-N125 HydrophobicContact CG1-CB 4.22Å; I95-C128 HydrophobicContact CG2-CB 4.47Å
96	S	89.1	Confident	91.1	Very high	68 Å²	68	45.8 Å²	45.8	48%	0.476	23%	0.232	S	C	.	.	H	α-helix	trans	-65.9	-38.4	-177	60.3	0	0	0	0	111.6	N94 L100	N94-S96 PolarHBondContact O-N 2.91Å; N94-S96 PolarHBondContact OD1-N 2.86Å; N94-S96 PolarHBondContact OD1-OG 3.42Å; S96-L100 WeakPolarHBondContact O-CB 3.46Å; S96-L100 PolarHBondContact O-N 2.86Å
97	V	91.3	Very high	91.2	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-66.4	-42.6	174.2	177	0	0	0	0	111	C84 L87 W88 N94 I95 L100 L101	C84-V97 HydrophobicContact CB-CG1 4.08Å; C84-V97 VanDerWaalsContact O-CG1 3.27Å; C84-V97 WeakPolarHBondContact O-CG1 3.41Å; L87-V97 HydrophobicContact CB-CG1 4.15Å; L87-V97 HydrophobicContact CB-CG2 3.84Å; L87-V97 HydrophobicContact CD1-CG2 4.08Å; W88-V97 HydrophobicContact CB-CG1 3.96Å; N94-V97 HydrophobicContact CB-CB 4.2Å; N94-V97 HydrophobicContact CB-CG2 4.14Å; N94-V97 PolarHBondContact O-N 3.27Å; N94-V97 PolarHBondContact OD1-N 3.36Å; I95-V97 VanDerWaalsContact C-N 3.33Å; I95-V97 PolarHBondContact O-N 3.16Å; V97-L100 PolarHBondContact O-N 3.37Å; V97-L101 HydrophobicContact CG1-CD1 4.07Å; V97-L101 HydrophobicContact CG1-CG 4.49Å; V97-L101 WeakPolarHBondContact O-CB 3.29Å; V97-L101 WeakPolarHBondContact O-CG 3.4Å; V97-L101 PolarHBondContact O-N 3.45Å
98	L	94.7	Very high	91.4	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-41.3	177.2	-70.2	169.2	0	0	0	112.3	N94 I95 L101 S102 F117 M120 A121	N94-L98 WeakPolarHBondContact O-CG 3.34Å; N94-L98 PolarHBondContact O-N 2.98Å; I95-L98 PolarHBondContact O-N 3.49Å; L98-L101 PolarHBondContact O-N 3.18Å; L98-S102 WeakPolarHBondContact O-CB 3.23Å; L98-S102 PolarHBondContact O-N 3.26Å; L98-F117 HydrophobicContact CD2-CD1 3.78Å; L98-M120 HydrophobicContact CD1-CB 4.1Å; L98-M120 HydrophobicContact CD2-CB 3.9Å; L98-M120 HydrophobicContact CD2-SD 4.31Å; L98-A121 HydrophobicContact CB-CB 3.91Å; L98-A121 HydrophobicContact CD1-CB 4.29Å
99	L	93.1	Very high	91.5	Very high	29 Å²	29	53.9 Å²	53.9	15%	0.152	27%	0.269	C	S	.	.	H	α-helix	trans	-64.7	-40.7	175.1	-71.3	176.2	0	0	0	111.9	I95 S102 S103 A121 E130 A131	I95-L99 HydrophobicContact CG2-CD1 4.02Å; I95-L99 HydrophobicContact CG2-CG 4.2Å; I95-L99 WeakPolarHBondContact O-CG 3.45Å; I95-L99 PolarHBondContact O-N 2.84Å; L99-S102 WeakPolarHBondContact O-CB 3.38Å; L99-S102 PolarHBondContact O-N 2.96Å; L99-S103 PolarHBondContact O-N 2.59Å; L99-S103 PolarHBondContact O-OG 2.96Å; L99-A121 HydrophobicContact CD2-CB 4.45Å; L99-E130 HydrophobicContact CD1-CB 3.81Å; L99-E130 HydrophobicContact CD2-CB 4.05Å; L99-A131 HydrophobicContact CD2-CB 3.79Å
100	L	93.2	Very high	91.7	Very high	18 Å²	18	48.6 Å²	48.6	9%	0.094	25%	0.249	C	C	.	.	H	α-helix	trans	-67.7	-43.2	176.8	-172.8	56	0	0	0	111.4	A68 H69 Y72 C84 S96 V97 S102 S103 V104	A68-L100 HydrophobicContact CB-CD2 3.95Å; H69-L100 HydrophobicContact CB-CD2 4.45Å; Y72-L100 HydrophobicContact CD1-CD1 4.06Å; Y72-L100 HydrophobicContact CD2-CD1 4.14Å; Y72-L100 HydrophobicContact CG-CD1 3.74Å; C84-L100 VanDerWaalsContact SG-CD2 3.51Å; S96-L100 WeakPolarHBondContact O-CB 3.46Å; S96-L100 PolarHBondContact O-N 2.86Å; V97-L100 PolarHBondContact O-N 3.37Å; L100-S102 VanDerWaalsContact C-N 3.33Å; L100-S102 PolarHBondContact O-N 2.81Å; L100-S103 PolarHBondContact O-N 2.71Å; L100-S103 VanDerWaalsContact O-N 3.17Å; L100-V104 HydrophobicContact CD1-CG2 4.48Å; L100-V104 WeakPolarHBondContact O-CB 3.26Å; L100-V104 VanDerWaalsContact O-CG2 3.26Å; L100-V104 WeakPolarHBondContact O-CG2 3.43Å; L100-V104 PolarHBondContact O-N 3.31Å
101	L	94	Very high	92	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.2	-45.3	172.1	-78.3	168.6	0	0	0	111.7	E81 C84 M85 W88 V97 L98 S103 V104 H105 F117	E81-L101 HydrophobicContact CG-CD2 4.33Å; C84-L101 HydrophobicContact CB-CD1 4.27Å; C84-L101 HydrophobicContact CB-CD2 3.44Å; C84-L101 VanDerWaalsContact CB-CD2 3.44Å; C84-L101 HydrophobicContact CB-CG 3.63Å; M85-L101 HydrophobicContact CG-CD2 4.19Å; M85-L101 HydrophobicContact SD-CD1 4.29Å; M85-L101 HydrophobicContact SD-CD2 4.14Å; W88-L101 HydrophobicContact CB-CD1 4.19Å; W88-L101 HydrophobicContact CG-CD1 4.29Å; V97-L101 HydrophobicContact CG1-CD1 4.07Å; V97-L101 HydrophobicContact CG1-CG 4.49Å; V97-L101 WeakPolarHBondContact O-CB 3.29Å; V97-L101 WeakPolarHBondContact O-CG 3.4Å; V97-L101 PolarHBondContact O-N 3.45Å; L98-L101 PolarHBondContact O-N 3.18Å; L101-S103 VanDerWaalsContact C-N 3.31Å; L101-S103 PolarHBondContact O-N 2.86Å; L101-V104 PolarHBondContact O-N 3.05Å; L101-H105 WeakPolarHBondContact O-CB 3.44Å; L101-H105 PolarHBondContact O-CD2 2.97Å; L101-H105 PolarHBondContact O-N 2.75Å; L101-F117 HydrophobicContact CB-CB 4.38Å; L101-F117 HydrophobicContact CB-CD1 4.16Å; L101-F117 HydrophobicContact CB-CD2 3.89Å; L101-F117 HydrophobicContact CB-CE1 4.43Å; L101-F117 HydrophobicContact CB-CE2 4.19Å; L101-F117 HydrophobicContact CB-CG 3.88Å; L101-F117 HydrophobicContact CB-CZ 4.44Å; L101-F117 HydrophobicContact CD1-CD1 4.03Å; L101-F117 HydrophobicContact CD1-CE1 3.75Å; L101-F117 HydrophobicContact CD1-CZ 4.07Å
102	S	94.4	Very high	92.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-56.2	-46.2	174.6	167.4	0	0	0	0	111.6	L98 L99 L100 H105 F106 S114 C118	L98-S102 WeakPolarHBondContact O-CB 3.23Å; L98-S102 PolarHBondContact O-N 3.26Å; L99-S102 WeakPolarHBondContact O-CB 3.38Å; L99-S102 PolarHBondContact O-N 2.96Å; L100-S102 VanDerWaalsContact C-N 3.33Å; L100-S102 PolarHBondContact O-N 2.81Å; S102-H105 PolarHBondContact O-N 2.74Å; S102-F106 WeakPolarHBondContact O-CB 3.47Å; S102-F106 PolarHBondContact O-N 2.95Å; S102-S114 WeakPolarHBondContact O-CB 3.33Å; S102-S114 PolarHBondContact O-OG 3.4Å; S102-S114 PolarHBondContact OG-OG 2.97Å; S102-C118 PolarHBondContact OG-SG 3.05Å
103	S	94.1	Very high	92.5	Very high	24 Å²	24	47.9 Å²	47.9	17%	0.168	24%	0.237	C	C	.	.	H	α-helix	trans	-67.1	-44.6	-179.7	-53.9	0	0	0	0	112.2	L99 L100 L101 H105 F106 Q107 N134	L99-S103 PolarHBondContact O-N 2.59Å; L99-S103 PolarHBondContact O-OG 2.96Å; L100-S103 PolarHBondContact O-N 2.71Å; L100-S103 VanDerWaalsContact O-N 3.17Å; L101-S103 VanDerWaalsContact C-N 3.31Å; L101-S103 PolarHBondContact O-N 2.86Å; S103-H105 PolarHBondContact O-N 2.95Å; S103-F106 WeakPolarHBondContact O-CB 3.21Å; S103-F106 PolarHBondContact O-N 3.31Å; S103-Q107 WeakPolarHBondContact O-CG 3.19Å; S103-Q107 PolarHBondContact O-N 3.39Å; S103-N134 PolarHBondContact OG-ND2 3.18Å
104	V	93	Very high	92.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-56.9	-50.4	174.3	168.8	0	0	0	0	110.5	Y72 Y77 A80 E81 L100 L101 F106 Q107 C108	Y72-V104 HydrophobicContact CD2-CG2 3.64Å; Y72-V104 HydrophobicContact CE2-CG2 4.31Å; Y72-V104 HydrophobicContact CG-CG2 4.5Å; Y77-V104 HydrophobicContact CD1-CG1 4.49Å; Y77-V104 WeakPolarHBondContact O-CG1 3.5Å; A80-V104 HydrophobicContact CB-CG2 4Å; E81-V104 HydrophobicContact CB-CG1 4.16Å; L100-V104 HydrophobicContact CD1-CG2 4.48Å; L100-V104 WeakPolarHBondContact O-CB 3.26Å; L100-V104 VanDerWaalsContact O-CG2 3.26Å; L100-V104 WeakPolarHBondContact O-CG2 3.43Å; L100-V104 PolarHBondContact O-N 3.31Å; L101-V104 PolarHBondContact O-N 3.05Å; V104-F106 VanDerWaalsContact C-N 3.31Å; V104-F106 PolarHBondContact O-N 3.48Å; V104-Q107 PolarHBondContact O-N 2.86Å; V104-C108 PolarHBondContact O-N 3.45Å; V104-C108 PolarHBondContact O-SG 3.32Å
105	H	94.4	Very high	93.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66	-33.4	179	-79.4	-68.5	0	0	0	112.8	E81 L101 S102 S103 C108 R109 R110 R113 F117	E81-H105 IonicContact OE1-CE1 3.21Å; E81-H105 PolarHBondContact OE1-CE1 3.08Å; E81-H105 IonicContact OE1-NE2 3.42Å; E81-H105 PolarHBondContact OE1-NE2 3.41Å; E81-H105 IonicContact OE2-CE1 3.74Å; L101-H105 WeakPolarHBondContact O-CB 3.44Å; L101-H105 PolarHBondContact O-CD2 2.97Å; L101-H105 PolarHBondContact O-N 2.75Å; S102-H105 PolarHBondContact O-N 2.74Å; S103-H105 PolarHBondContact O-N 2.95Å; H105-C108 PolarHBondContact O-N 2.86Å; H105-R109 PolarHBondContact O-N 3.29Å; H105-R110 HydrophobicContact CB-CB 4.24Å; H105-R110 VanDerWaalsContact CE1-CZ 3.43Å; H105-R110 PolarHBondContact CE1-NH1 3.11Å; H105-R110 PolarHBondContact ND1-NE 3.33Å; H105-R110 PolarHBondContact ND1-NH1 3.48Å; H105-R110 WeakPolarHBondContact O-CA 3.48Å; H105-R110 PolarHBondContact O-N 3.06Å; H105-R113 HydrophobicContact CB-CB 4.12Å; H105-R113 PolarHBondContact CE1-NH1 2.76Å; H105-R113 PolarHBondContact NE2-NH1 2.77Å; H105-F117 AromaticContact CD2-CD2 3.59Å; H105-F117 AromaticContact CD2-CE2 3.34Å; H105-F117 WeakPolarHBondContact CD2-CE2 3.27Å; H105-F117 AromaticContact NE2-CE2 3.37Å; H105-F117 WeakPolarHBondContact NE2-CE2 3.2Å
106	F	93.7	Very high	93.4	Very high	43 Å²	43	44.9 Å²	44.9	19%	0.189	22%	0.217	C	C	.	.	H	α-helix	trans	-62.8	-49.4	173.8	-176.7	-95.8	0	0	0	111.4	S102 S103 V104 C108 R109 L111 N137 V138 E141	S102-F106 WeakPolarHBondContact O-CB 3.47Å; S102-F106 PolarHBondContact O-N 2.95Å; S103-F106 WeakPolarHBondContact O-CB 3.21Å; S103-F106 PolarHBondContact O-N 3.31Å; V104-F106 VanDerWaalsContact C-N 3.31Å; V104-F106 PolarHBondContact O-N 3.48Å; F106-C108 VanDerWaalsContact C-N 3.28Å; F106-C108 PolarHBondContact O-N 3.3Å; F106-R109 PolarHBondContact O-N 3.27Å; F106-L111 HydrophobicContact CD2-CD2 3.93Å; F106-L111 HydrophobicContact CE2-CD2 4.12Å; F106-N137 HydrophobicContact CD2-CB 4.38Å; F106-N137 HydrophobicContact CE2-CB 3.75Å; F106-N137 HydrophobicContact CZ-CB 3.84Å; F106-V138 HydrophobicContact CD2-CG2 3.91Å; F106-V138 HydrophobicContact CE2-CG2 4.42Å; F106-E141 HydrophobicContact CE2-CB 4.39Å; F106-E141 HydrophobicContact CE2-CG 3.69Å; F106-E141 HydrophobicContact CZ-CG 3.58Å
107	Q	92.1	Very high	93.7	Very high	88 Å²	88	42 Å²	42	41%	0.411	20%	0.195	S	C	.	.	H	α-helix	trans	-61	-36.8	177.7	-65.5	-59.5	-14.9	0	0	112.4	Y72 Y77 S103 V104 R109	Y72-Q107 HydrophobicContact CE2-CG 3.84Å; Y72-Q107 PolarHBondContact OH-NE2 3.35Å; Y77-Q107 HydrophobicContact CD1-CB 4.24Å; Y77-Q107 HydrophobicContact CE1-CB 3.65Å; Y77-Q107 HydrophobicContact CE1-CG 3.84Å; Y77-Q107 HydrophobicContact CE2-CB 4.01Å; S103-Q107 WeakPolarHBondContact O-CG 3.19Å; S103-Q107 PolarHBondContact O-N 3.39Å; V104-Q107 PolarHBondContact O-N 2.86Å; Q107-R109 PolarHBondContact O-N 3.01Å
108	C	92	Very high	93.8	Very high	42 Å²	42	41.9 Å²	41.9	28%	0.284	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	9	174	-61.2	0	0	0	0	114.6	Y77 V104 H105 F106 R110	Y77-C108 VanDerWaalsContact CB-SG 3.53Å; V104-C108 PolarHBondContact O-N 3.45Å; V104-C108 PolarHBondContact O-SG 3.32Å; H105-C108 PolarHBondContact O-N 2.86Å; F106-C108 VanDerWaalsContact C-N 3.28Å; F106-C108 PolarHBondContact O-N 3.3Å; C108-R110 HydrophobicContact CB-CG 4.28Å; C108-R110 VanDerWaalsContact CB-NE 3.32Å; C108-R110 PolarHBondContact O-N 3.26Å; C108-R110 VanDerWaalsContact O-N 3.14Å; C108-R110 PolarHBondContact SG-NH2 2.99Å
109	R	91.4	Very high	93.8	Very high	176 Å²	176	44.4 Å²	44.4	66%	0.664	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	20.9	-176.6	-59	-70.5	-173.5	162.8	-8.4	114.5	H105 F106 Q107 L111 E141	H105-R109 PolarHBondContact O-N 3.29Å; F106-R109 PolarHBondContact O-N 3.27Å; Q107-R109 PolarHBondContact O-N 3.01Å; R109-L111 PolarHBondContact O-N 3.01Å; R109-E141 IonicContact CZ-OE2 3.18Å; R109-E141 IonicContact NH1-OE2 3.47Å; R109-E141 PolarHBondContact NH1-OE2 3.06Å; R109-E141 IonicContact NH2-OE2 3.99Å
110	R	93.3	Very high	93.9	Very high	84 Å²	84	46.7 Å²	46.7	32%	0.317	23%	0.227	S	C	.	.			trans	-92.4	66.6	177.2	-67.2	179.1	-76	168.3	-0.3	110.4	E81 H105 C108 D112 R113 S114	E81-R110 IonicContact OE1-NH1 3.29Å; E81-R110 PolarHBondContact OE1-NH1 3.22Å; E81-R110 IonicContact OE2-CZ 2.87Å; E81-R110 IonicContact OE2-NH1 3.74Å; E81-R110 PolarHBondContact OE2-NH1 3.02Å; E81-R110 IonicContact OE2-NH2 3.82Å; E81-R110 PolarHBondContact OE2-NH2 3.5Å; H105-R110 HydrophobicContact CB-CB 4.24Å; H105-R110 VanDerWaalsContact CE1-CZ 3.43Å; H105-R110 PolarHBondContact CE1-NH1 3.11Å; H105-R110 PolarHBondContact ND1-NE 3.33Å; H105-R110 PolarHBondContact ND1-NH1 3.48Å; H105-R110 WeakPolarHBondContact O-CA 3.48Å; H105-R110 PolarHBondContact O-N 3.06Å; C108-R110 HydrophobicContact CB-CG 4.28Å; C108-R110 VanDerWaalsContact CB-NE 3.32Å; C108-R110 PolarHBondContact O-N 3.26Å; C108-R110 VanDerWaalsContact O-N 3.14Å; C108-R110 PolarHBondContact SG-NH2 2.99Å; R110-D112 PolarHBondContact O-N 3.09Å; R110-R113 HydrophobicContact CB-CB 4.39Å; R110-R113 PolarHBondContact O-N 3.35Å; R110-S114 PolarHBondContact O-N 3.22Å; R110-S114 VanDerWaalsContact O-N 3.08Å
111	L	94.4	Very high	93.9	Very high	31 Å²	31	45.8 Å²	45.8	16%	0.162	22%	0.222	C	C	.	.	H	α-helix	trans	-60.6	-38.7	-168.6	-61.3	-176.4	0	0	0	114.3	F106 R109 S114 A115 V138 E141 R142	F106-L111 HydrophobicContact CD2-CD2 3.93Å; F106-L111 HydrophobicContact CE2-CD2 4.12Å; R109-L111 PolarHBondContact O-N 3.01Å; L111-S114 PolarHBondContact O-N 3.45Å; L111-A115 PolarHBondContact O-N 2.82Å; L111-V138 HydrophobicContact CB-CG1 4.03Å; L111-E141 HydrophobicContact CD1-CB 4.08Å; L111-E141 HydrophobicContact CD2-CB 4.32Å; L111-R142 HydrophobicContact CD1-CG 3.75Å
112	D	93.6	Very high	93.9	Very high	110 Å²	110	47.1 Å²	47.1	59%	0.588	23%	0.229	S	C	*	.	H	α-helix	trans	-63.7	-44.7	179.3	-61.6	-46	0	0	0	112.5	R110 A115 Q116 R142	R110-D112 PolarHBondContact O-N 3.09Å; D112-A115 PolarHBondContact O-N 3.19Å; D112-Q116 VanDerWaalsContact O-CG 3.3Å; D112-Q116 WeakPolarHBondContact O-CG 3.45Å; D112-Q116 PolarHBondContact O-N 2.9Å; D112-R142 IonicContact OD1-CZ 2.8Å; D112-R142 IonicContact OD1-NH2 2.95Å; D112-R142 PolarHBondContact OD1-NH2 3.05Å
113	R	93.7	Very high	93.8	Very high	102 Å²	102	56 Å²	56	39%	0.385	27%	0.267	S	S	.	.	H	α-helix	trans	-62.7	-44.2	175.2	-91.2	-85.3	-163.6	117.2	1.4	110.8	E81 H105 R110 A115 Q116 F117	E81-R113 IonicContact OE1-NH1 3.34Å; E81-R113 PolarHBondContact OE1-NH1 3.45Å; H105-R113 HydrophobicContact CB-CB 4.12Å; H105-R113 PolarHBondContact CE1-NH1 2.76Å; H105-R113 PolarHBondContact NE2-NH1 2.77Å; R110-R113 HydrophobicContact CB-CB 4.39Å; R110-R113 PolarHBondContact O-N 3.35Å; R113-A115 PolarHBondContact O-N 2.93Å; R113-Q116 PolarHBondContact O-N 3.05Å; R113-F117 WeakPolarHBondContact O-CD2 3.17Å; R113-F117 PolarHBondContact O-N 3.04Å
114	S	95.4	Very high	93.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.1	-47.2	177	-177.3	0	0	0	0	111.6	S102 R110 L111 Q116 F117 C118 V138	S102-S114 WeakPolarHBondContact O-CB 3.33Å; S102-S114 PolarHBondContact O-OG 3.4Å; S102-S114 PolarHBondContact OG-OG 2.97Å; R110-S114 PolarHBondContact O-N 3.22Å; R110-S114 VanDerWaalsContact O-N 3.08Å; L111-S114 PolarHBondContact O-N 3.45Å; S114-Q116 PolarHBondContact O-N 3.07Å; S114-F117 PolarHBondContact O-N 3.42Å; S114-C118 PolarHBondContact O-N 3.12Å; S114-C118 PolarHBondContact O-SG 3.06Å; S114-C118 VanDerWaalsContact O-SG 3.33Å; S114-V138 WeakPolarHBondContact OG-CG2 3.27Å
115	A	94.8	Very high	93.7	Very high	18 Å²	18	59.4 Å²	59.4	15%	0.149	29%	0.29	C	S	.	.	H	α-helix	trans	-62.3	-39.1	176.3	0	0	0	0	0	113.1	L111 D112 R113 C118 A119 L135 V138	L111-A115 PolarHBondContact O-N 2.82Å; D112-A115 PolarHBondContact O-N 3.19Å; R113-A115 PolarHBondContact O-N 2.93Å; A115-C118 WeakPolarHBondContact O-CB 3.42Å; A115-C118 PolarHBondContact O-N 3.19Å; A115-A119 WeakPolarHBondContact O-CB 3.43Å; A115-A119 PolarHBondContact O-N 3.35Å; A115-L135 HydrophobicContact CB-CD1 3.95Å; A115-V138 HydrophobicContact CB-CG1 4.21Å
116	Q	95	Very high	93.6	Very high	108 Å²	108	63.1 Å²	63.1	51%	0.505	31%	0.314	S	S	.	.	H	α-helix	trans	-61.4	-45.1	175.8	-73.9	170	15.4	0	0	111.6	D112 R113 S114 A119 M120	D112-Q116 VanDerWaalsContact O-CG 3.3Å; D112-Q116 WeakPolarHBondContact O-CG 3.45Å; D112-Q116 PolarHBondContact O-N 2.9Å; R113-Q116 PolarHBondContact O-N 3.05Å; S114-Q116 PolarHBondContact O-N 3.07Å; Q116-A119 PolarHBondContact O-N 2.76Å; Q116-M120 WeakPolarHBondContact O-CG 3.39Å; Q116-M120 PolarHBondContact O-N 3.3Å
117	F	95.2	Very high	93.5	Very high	6 Å²	6	67.3 Å²	67.3	3%	0.026	34%	0.338	C	S	.	.	H	α-helix	trans	-68.4	-35	177	-70.1	-60.6	0	0	0	112.6	M85 W88 L98 L101 H105 R113 S114 M120 A121	M85-F117 HydrophobicContact SD-CZ 4.27Å; W88-F117 HydrophobicContact CD2-CE1 4.48Å; W88-F117 HydrophobicContact CE3-CE1 4.39Å; W88-F117 HydrophobicContact CH2-CE1 4.28Å; W88-F117 HydrophobicContact CZ2-CE1 4.37Å; W88-F117 HydrophobicContact CZ3-CE1 4.29Å; L98-F117 HydrophobicContact CD2-CD1 3.78Å; L101-F117 HydrophobicContact CB-CB 4.38Å; L101-F117 HydrophobicContact CB-CD1 4.16Å; L101-F117 HydrophobicContact CB-CD2 3.89Å; L101-F117 HydrophobicContact CB-CE1 4.43Å; L101-F117 HydrophobicContact CB-CE2 4.19Å; L101-F117 HydrophobicContact CB-CG 3.88Å; L101-F117 HydrophobicContact CB-CZ 4.44Å; L101-F117 HydrophobicContact CD1-CD1 4.03Å; L101-F117 HydrophobicContact CD1-CE1 3.75Å; L101-F117 HydrophobicContact CD1-CZ 4.07Å; H105-F117 AromaticContact CD2-CD2 3.59Å; H105-F117 AromaticContact CD2-CE2 3.34Å; H105-F117 WeakPolarHBondContact CD2-CE2 3.27Å; H105-F117 AromaticContact NE2-CE2 3.37Å; H105-F117 WeakPolarHBondContact NE2-CE2 3.2Å; R113-F117 WeakPolarHBondContact O-CD2 3.17Å; R113-F117 PolarHBondContact O-N 3.04Å; S114-F117 PolarHBondContact O-N 3.42Å; F117-M120 HydrophobicContact CD1-SD 4.04Å; F117-M120 HydrophobicContact CE1-SD 4.33Å; F117-M120 PolarHBondContact O-N 3.25Å; F117-A121 WeakPolarHBondContact O-CB 3.49Å; F117-A121 PolarHBondContact O-N 3.5Å
118	C	95.2	Very high	93.5	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-59.1	-47.1	168.8	-67.4	0	0	0	0	111.5	S102 S114 A115 M120 A121 I122 L135	S102-C118 PolarHBondContact OG-SG 3.05Å; S114-C118 PolarHBondContact O-N 3.12Å; S114-C118 PolarHBondContact O-SG 3.06Å; S114-C118 VanDerWaalsContact O-SG 3.33Å; A115-C118 WeakPolarHBondContact O-CB 3.42Å; A115-C118 PolarHBondContact O-N 3.19Å; C118-M120 VanDerWaalsContact C-N 3.31Å; C118-M120 PolarHBondContact O-N 2.77Å; C118-A121 WeakPolarHBondContact O-CB 3.43Å; C118-A121 PolarHBondContact O-N 3.35Å; C118-A121 VanDerWaalsContact O-N 3.15Å; C118-I122 VanDerWaalsContact O-CG1 3.29Å; C118-I122 WeakPolarHBondContact O-CG1 3.49Å; C118-I122 PolarHBondContact O-N 3.1Å; C118-L135 HydrophobicContact CB-CB 3.98Å; C118-L135 HydrophobicContact CB-CD1 4.27Å
119	A	93.9	Very high	93.6	Very high	54 Å²	54	61.5 Å²	61.5	45%	0.446	31%	0.308	S	S	.	.	H	α-helix	trans	-62.8	-37.5	179.2	0	0	0	0	0	112.1	A115 Q116 K123	A115-A119 WeakPolarHBondContact O-CB 3.43Å; A115-A119 PolarHBondContact O-N 3.35Å; Q116-A119 PolarHBondContact O-N 2.76Å; A119-K123 WeakPolarHBondContact O-CB 3.47Å; A119-K123 PolarHBondContact O-N 2.64Å
120	M	94.7	Very high	93.7	Very high	76 Å²	76	56.1 Å²	56.1	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-65	-42.6	172.6	-69.1	177.7	-172.2	0	0	111.8	W88 L98 Q116 F117 C118 K123 A124	W88-M120 HydrophobicContact CH2-CE 4.46Å; W88-M120 HydrophobicContact CH2-SD 4.34Å; W88-M120 HydrophobicContact CZ2-CE 4.24Å; W88-M120 HydrophobicContact CZ2-SD 3.64Å; L98-M120 HydrophobicContact CD1-CB 4.1Å; L98-M120 HydrophobicContact CD2-CB 3.9Å; L98-M120 HydrophobicContact CD2-SD 4.31Å; Q116-M120 WeakPolarHBondContact O-CG 3.39Å; Q116-M120 PolarHBondContact O-N 3.3Å; F117-M120 HydrophobicContact CD1-SD 4.04Å; F117-M120 HydrophobicContact CE1-SD 4.33Å; F117-M120 PolarHBondContact O-N 3.25Å; C118-M120 VanDerWaalsContact C-N 3.31Å; C118-M120 PolarHBondContact O-N 2.77Å; M120-K123 PolarHBondContact O-N 2.83Å; M120-A124 WeakPolarHBondContact O-CB 3.48Å; M120-A124 PolarHBondContact O-N 3.49Å
121	A	93.4	Very high	93.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.5	-42.9	176.8	0	0	0	0	0	111.8	L98 L99 F117 C118 K123 A124 N125 A131	L98-A121 HydrophobicContact CB-CB 3.91Å; L98-A121 HydrophobicContact CD1-CB 4.29Å; L99-A121 HydrophobicContact CD2-CB 4.45Å; F117-A121 WeakPolarHBondContact O-CB 3.49Å; F117-A121 PolarHBondContact O-N 3.5Å; C118-A121 WeakPolarHBondContact O-CB 3.43Å; C118-A121 PolarHBondContact O-N 3.35Å; C118-A121 VanDerWaalsContact O-N 3.15Å; A121-K123 VanDerWaalsContact C-N 3.35Å; A121-A124 PolarHBondContact O-N 3.03Å; A121-N125 PolarHBondContact O-N 2.97Å; A121-A131 HydrophobicContact CB-CB 3.87Å
122	I	93.9	Very high	93.8	Very high	28 Å²	28	52.3 Å²	52.3	14%	0.144	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-41.1	175.4	-68.1	164.7	0	0	0	110.7	C118 A124 N125 P126 A131 Y132 L135	C118-I122 VanDerWaalsContact O-CG1 3.29Å; C118-I122 WeakPolarHBondContact O-CG1 3.49Å; C118-I122 PolarHBondContact O-N 3.1Å; I122-A124 VanDerWaalsContact C-N 3.32Å; I122-A124 PolarHBondContact O-N 3.4Å; I122-N125 CarbonylContact O-C 3.08Å; I122-N125 PolarHBondContact O-N 3.43Å; I122-P126 WeakPolarHBondContact O-CA 3.41Å; I122-P126 WeakPolarHBondContact O-CD 3.35Å; I122-A131 HydrophobicContact CD1-CB 4.43Å; I122-A131 HydrophobicContact CG1-CB 3.71Å; I122-Y132 HydrophobicContact CD1-CD1 3.88Å; I122-Y132 HydrophobicContact CD1-CE1 3.8Å; I122-Y132 HydrophobicContact CD1-CE2 4.42Å; I122-Y132 HydrophobicContact CD1-CG 4.25Å; I122-Y132 HydrophobicContact CG1-CD2 4.32Å; I122-Y132 HydrophobicContact CG1-CE1 4.26Å; I122-Y132 HydrophobicContact CG1-CE2 4.04Å; I122-Y132 HydrophobicContact CG2-CE1 4.3Å; I122-Y132 HydrophobicContact CG2-CE2 4.28Å; I122-Y132 WeakPolarHBondContact CG2-OH 3.23Å; I122-L135 HydrophobicContact CD1-CD2 4.01Å
123	K	93.3	Very high	93.9	Very high	185 Å²	185	47.2 Å²	47.2	80%	0.804	25%	0.247	S	C	*	.	H	α-helix	trans	-65.2	-36.9	176.8	-172.4	179.6	-179.9	-177.7	0	112	A119 M120 A121	A119-K123 WeakPolarHBondContact O-CB 3.47Å; A119-K123 PolarHBondContact O-N 2.64Å; M120-K123 PolarHBondContact O-N 2.83Å; A121-K123 VanDerWaalsContact C-N 3.35Å
124	A	91.4	Very high	93.9	Very high	43 Å²	43	43.9 Å²	43.9	36%	0.355	24%	0.236	S	C	.	.	H	α-helix	trans	-71.3	-38.6	176.2	0	0	0	0	0	112.1	I95 M120 A121 I122	I95-A124 HydrophobicContact CG1-CB 4.19Å; M120-A124 WeakPolarHBondContact O-CB 3.48Å; M120-A124 PolarHBondContact O-N 3.49Å; A121-A124 PolarHBondContact O-N 3.03Å; I122-A124 VanDerWaalsContact C-N 3.32Å; I122-A124 PolarHBondContact O-N 3.4Å
125	N	92.4	Very high	93.9	Very high	54 Å²	54	44.8 Å²	44.8	29%	0.289	24%	0.241	S	C	.	.			trans	-146.9	102.9	174.3	178.6	12.2	0	0	0	111.6	I95 A121 I122 L127 C128	I95-N125 HydrophobicContact CD1-CB 3.38Å; I95-N125 HydrophobicContact CG1-CB 4.22Å; A121-N125 PolarHBondContact O-N 2.97Å; I122-N125 CarbonylContact O-C 3.08Å; I122-N125 PolarHBondContact O-N 3.43Å; N125-L127 PolarHBondContact O-N 3.45Å; N125-L127 VanDerWaalsContact O-N 3.09Å; N125-L127 WeakPolarHBondContact OD1-CB 3.4Å; N125-L127 PolarHBondContact OD1-N 3.17Å; N125-C128 HydrophobicContact CB-CB 4.28Å; N125-C128 VanDerWaalsContact O-CB 3.25Å; N125-C128 WeakPolarHBondContact O-CB 3.12Å; N125-C128 PolarHBondContact O-N 2.63Å; N125-C128 VanDerWaalsContact O-N 3.11Å
126	P	92.4	Very high	93.9	Very high	78 Å²	78	44 Å²	44	51%	0.506	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-12.5	177.3	-25.4	35.3	0	0	0	115	I122 Y132	I122-P126 WeakPolarHBondContact O-CA 3.41Å; I122-P126 WeakPolarHBondContact O-CD 3.35Å; P126-Y132 WeakPolarHBondContact O-CE2 3.48Å
127	L	92.2	Very high	93.9	Very high	130 Å²	130	40.2 Å²	40.2	68%	0.681	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.2	5.4	177.5	-59.4	175.2	0	0	0	113.1	N125 A129 L158	N125-L127 PolarHBondContact O-N 3.45Å; N125-L127 VanDerWaalsContact O-N 3.09Å; N125-L127 WeakPolarHBondContact OD1-CB 3.4Å; N125-L127 PolarHBondContact OD1-N 3.17Å; L127-A129 PolarHBondContact O-N 2.87Å; L127-A129 VanDerWaalsContact O-N 3.13Å; L127-L158 HydrophobicContact CD2-CD2 3.81Å
128	C	92.8	Very high	93.9	Very high	7 Å²	7	39.9 Å²	39.9	5%	0.047	22%	0.216	C	C	.	.			trans	-77.8	93.5	-179.2	-173.9	0	0	0	0	111.7	I95 N125 E130 A131 Y132	I95-C128 HydrophobicContact CG2-CB 4.47Å; N125-C128 HydrophobicContact CB-CB 4.28Å; N125-C128 VanDerWaalsContact O-CB 3.25Å; N125-C128 WeakPolarHBondContact O-CB 3.12Å; N125-C128 PolarHBondContact O-N 2.63Å; N125-C128 VanDerWaalsContact O-N 3.11Å; C128-E130 VanDerWaalsContact C-N 3.3Å; C128-E130 PolarHBondContact O-N 2.97Å; C128-A131 HydrophobicContact CB-CB 4.23Å; C128-A131 PolarHBondContact O-N 3.23Å; C128-Y132 VanDerWaalsContact O-CD2 3.3Å; C128-Y132 WeakPolarHBondContact O-CD2 3.3Å
129	A	92.6	Very high	93.9	Very high	2 Å²	2	42.7 Å²	42.7	2%	0.017	23%	0.227	C	C	.	.	H	α-helix	trans	-58.7	-39.3	-178.8	0	0	0	0	0	113.1	L127 A131 Y132 S133 A155 L158 K159	L127-A129 PolarHBondContact O-N 2.87Å; L127-A129 VanDerWaalsContact O-N 3.13Å; A129-A131 PolarHBondContact O-N 2.77Å; A129-Y132 PolarHBondContact O-N 2.87Å; A129-S133 PolarHBondContact O-N 2.97Å; A129-A155 WeakPolarHBondContact CB-O 3.31Å; A129-A155 WeakPolarHBondContact O-CB 3.31Å; A129-L158 HydrophobicContact CB-CB 4.01Å; A129-K159 HydrophobicContact CB-CB 3.55Å; A129-K159 HydrophobicContact CB-CD 4.29Å
130	E	93.2	Very high	93.9	Very high	62 Å²	62	42.9 Å²	42.9	29%	0.29	22%	0.218	S	C	.	.	H	α-helix	trans	-59.1	-36	-179.7	-65.9	79.7	-177.2	0	0	111.7	L99 C128 S133 N134 K159	L99-E130 HydrophobicContact CD1-CB 3.81Å; L99-E130 HydrophobicContact CD2-CB 4.05Å; C128-E130 VanDerWaalsContact C-N 3.3Å; C128-E130 PolarHBondContact O-N 2.97Å; E130-S133 PolarHBondContact O-N 3.28Å; E130-N134 WeakPolarHBondContact O-CB 3.49Å; E130-N134 PolarHBondContact O-N 2.92Å; E130-K159 IonicContact OE1-NZ 3.05Å; E130-K159 PolarHBondContact OE1-NZ 3.49Å
131	A	93.7	Very high	93.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-68	-41.9	179	0	0	0	0	0	112.1	L99 A121 I122 C128 A129 S133 L135	L99-A131 HydrophobicContact CD2-CB 3.79Å; A121-A131 HydrophobicContact CB-CB 3.87Å; I122-A131 HydrophobicContact CD1-CB 4.43Å; I122-A131 HydrophobicContact CG1-CB 3.71Å; C128-A131 HydrophobicContact CB-CB 4.23Å; C128-A131 PolarHBondContact O-N 3.23Å; A129-A131 PolarHBondContact O-N 2.77Å; A131-S133 VanDerWaalsContact C-N 3.34Å; A131-L135 WeakPolarHBondContact O-CB 3.44Å; A131-L135 PolarHBondContact O-N 2.9Å
132	Y	96.3	Very high	93.7	Very high	36 Å²	36	47.4 Å²	47.4	14%	0.141	23%	0.234	C	C	.	.	H	α-helix	trans	-66	-37.8	174.3	-70.9	-81.1	0	0	0	111.7	I122 P126 C128 A129 L135 G136 H154 L158	I122-Y132 HydrophobicContact CD1-CD1 3.88Å; I122-Y132 HydrophobicContact CD1-CE1 3.8Å; I122-Y132 HydrophobicContact CD1-CE2 4.42Å; I122-Y132 HydrophobicContact CD1-CG 4.25Å; I122-Y132 HydrophobicContact CG1-CD2 4.32Å; I122-Y132 HydrophobicContact CG1-CE1 4.26Å; I122-Y132 HydrophobicContact CG1-CE2 4.04Å; I122-Y132 HydrophobicContact CG2-CE1 4.3Å; I122-Y132 HydrophobicContact CG2-CE2 4.28Å; I122-Y132 WeakPolarHBondContact CG2-OH 3.23Å; P126-Y132 WeakPolarHBondContact O-CE2 3.48Å; C128-Y132 VanDerWaalsContact O-CD2 3.3Å; C128-Y132 WeakPolarHBondContact O-CD2 3.3Å; A129-Y132 PolarHBondContact O-N 2.87Å; Y132-L135 PolarHBondContact O-N 2.74Å; Y132-G136 PolarHBondContact O-N 2.87Å; Y132-H154 HydrophobicContact CD1-CB 4.43Å; Y132-H154 AromaticContact CD1-CD2 3.54Å; Y132-H154 AromaticContact CD2-CD2 3.71Å; Y132-H154 AromaticContact CE1-CD2 3.39Å; Y132-H154 WeakPolarHBondContact CE1-CD2 3.47Å; Y132-H154 AromaticContact CE1-NE2 3.86Å; Y132-H154 AromaticContact CE2-CD2 3.6Å; Y132-H154 AromaticContact CE2-NE2 3.85Å; Y132-H154 AromaticContact CG-CD2 3.68Å; Y132-H154 AromaticContact CZ-CD2 3.42Å; Y132-H154 VanDerWaalsContact CZ-CD2 3.42Å; Y132-H154 AromaticContact CZ-NE2 3.53Å; Y132-L158 HydrophobicContact CD2-CD1 3.54Å; Y132-L158 HydrophobicContact CE2-CD1 3.51Å
133	S	95.4	Very high	93.6	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-64.7	-46.5	176.1	-163.9	0	0	0	0	112.5	A129 E130 A131 L135 G136 N137 Y152 F162	A129-S133 PolarHBondContact O-N 2.97Å; E130-S133 PolarHBondContact O-N 3.28Å; A131-S133 VanDerWaalsContact C-N 3.34Å; S133-L135 VanDerWaalsContact C-N 3.27Å; S133-L135 PolarHBondContact O-N 3Å; S133-G136 WeakPolarHBondContact O-CA 3.37Å; S133-G136 PolarHBondContact O-N 2.89Å; S133-G136 VanDerWaalsContact O-N 3.1Å; S133-N137 PolarHBondContact O-N 2.98Å; S133-Y152 WeakPolarHBondContact O-CE1 3.05Å; S133-F162 WeakPolarHBondContact OG-CE1 3.46Å
134	N	94.1	Very high	93.6	Very high	32 Å²	32	46.2 Å²	46.2	17%	0.171	24%	0.235	C	C	.	.	H	α-helix	trans	-62.5	-37.5	175.7	-75.8	-2	0	0	0	111.4	S103 E130 G136 N137 V138	S103-N134 PolarHBondContact OG-ND2 3.18Å; E130-N134 WeakPolarHBondContact O-CB 3.49Å; E130-N134 PolarHBondContact O-N 2.92Å; N134-G136 VanDerWaalsContact C-N 3.35Å; N134-N137 WeakPolarHBondContact O-CB 3.44Å; N134-N137 PolarHBondContact O-N 3.45Å; N134-V138 PolarHBondContact O-N 2.88Å; N134-V138 VanDerWaalsContact O-N 3.13Å
135	L	95.9	Very high	93.7	Very high	19 Å²	19	45.6 Å²	45.6	10%	0.099	23%	0.226	C	C	.	.	H	α-helix	trans	-64.6	-39.3	173	-173.8	58.4	0	0	0	111.9	A115 C118 I122 A131 Y132 S133 N137 V138 Y139 N151	A115-L135 HydrophobicContact CB-CD1 3.95Å; C118-L135 HydrophobicContact CB-CB 3.98Å; C118-L135 HydrophobicContact CB-CD1 4.27Å; I122-L135 HydrophobicContact CD1-CD2 4.01Å; A131-L135 WeakPolarHBondContact O-CB 3.44Å; A131-L135 PolarHBondContact O-N 2.9Å; Y132-L135 PolarHBondContact O-N 2.74Å; S133-L135 VanDerWaalsContact C-N 3.27Å; S133-L135 PolarHBondContact O-N 3Å; L135-N137 VanDerWaalsContact C-N 3.34Å; L135-N137 PolarHBondContact O-N 2.95Å; L135-V138 WeakPolarHBondContact O-CB 3.35Å; L135-V138 PolarHBondContact O-N 3.47Å; L135-Y139 HydrophobicContact CD1-CD2 4.33Å; L135-Y139 HydrophobicContact CD1-CE2 3.82Å; L135-Y139 HydrophobicContact CD2-CE2 4.09Å; L135-Y139 HydrophobicContact CG-CD2 4.02Å; L135-Y139 HydrophobicContact CG-CE2 3.59Å; L135-Y139 WeakPolarHBondContact O-CD2 3.27Å; L135-Y139 PolarHBondContact O-N 3.48Å; L135-N151 WeakPolarHBondContact CD2-OD1 3.35Å
136	G	95.2	Very high	93.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.1	-41.6	171.3	0	0	0	0	0	112.8	Y132 S133 N134 V138 Y139 K140 Y152	Y132-G136 PolarHBondContact O-N 2.87Å; S133-G136 WeakPolarHBondContact O-CA 3.37Å; S133-G136 PolarHBondContact O-N 2.89Å; S133-G136 VanDerWaalsContact O-N 3.1Å; N134-G136 VanDerWaalsContact C-N 3.35Å; G136-V138 VanDerWaalsContact C-N 3.31Å; G136-V138 PolarHBondContact O-N 3Å; G136-Y139 PolarHBondContact O-N 2.89Å; G136-K140 WeakPolarHBondContact O-CB 3.43Å; G136-K140 PolarHBondContact O-N 3.4Å; G136-Y152 PolarHBondContact O-OH 3.39Å
137	N	94.7	Very high	93.9	Very high	29 Å²	29	47.1 Å²	47.1	16%	0.155	23%	0.231	C	C	.	.	H	α-helix	trans	-59.8	-42.9	175.4	-70.3	-25.3	0	0	0	111	F106 S133 N134 L135 K140 E141 Y152	F106-N137 HydrophobicContact CD2-CB 4.38Å; F106-N137 HydrophobicContact CE2-CB 3.75Å; F106-N137 HydrophobicContact CZ-CB 3.84Å; S133-N137 PolarHBondContact O-N 2.98Å; N134-N137 WeakPolarHBondContact O-CB 3.44Å; N134-N137 PolarHBondContact O-N 3.45Å; L135-N137 VanDerWaalsContact C-N 3.34Å; L135-N137 PolarHBondContact O-N 2.95Å; N137-K140 PolarHBondContact O-N 3.35Å; N137-E141 PolarHBondContact O-N 2.85Å; N137-Y152 WeakPolarHBondContact CA-OH 3.29Å; N137-Y152 PolarHBondContact N-OH 2.83Å; N137-Y152 PolarHBondContact OD1-OH 3.04Å
138	V	95.1	Very high	94.1	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.9	-47.8	175.6	173.2	0	0	0	0	111.5	F106 L111 S114 A115 N134 L135 G136 K140 E141 R142	F106-V138 HydrophobicContact CD2-CG2 3.91Å; F106-V138 HydrophobicContact CE2-CG2 4.42Å; L111-V138 HydrophobicContact CB-CG1 4.03Å; S114-V138 WeakPolarHBondContact OG-CG2 3.27Å; A115-V138 HydrophobicContact CB-CG1 4.21Å; N134-V138 PolarHBondContact O-N 2.88Å; N134-V138 VanDerWaalsContact O-N 3.13Å; L135-V138 WeakPolarHBondContact O-CB 3.35Å; L135-V138 PolarHBondContact O-N 3.47Å; G136-V138 VanDerWaalsContact C-N 3.31Å; G136-V138 PolarHBondContact O-N 3Å; V138-K140 VanDerWaalsContact C-N 3.33Å; V138-K140 PolarHBondContact O-N 2.85Å; V138-E141 PolarHBondContact O-N 2.88Å; V138-R142 WeakPolarHBondContact O-CG 3.37Å; V138-R142 PolarHBondContact O-N 2.9Å; V138-R142 VanDerWaalsContact O-N 3.13Å
139	Y	95.5	Very high	94.2	Very high	58 Å²	58	40.9 Å²	40.9	23%	0.227	20%	0.198	C	C	.	.	H	α-helix	trans	-62.6	-39.6	177.9	-75.4	-58.2	0	0	0	112.3	L135 G136 R142 N143 Q144 E147 N151	L135-Y139 HydrophobicContact CD1-CD2 4.33Å; L135-Y139 HydrophobicContact CD1-CE2 3.82Å; L135-Y139 HydrophobicContact CD2-CE2 4.09Å; L135-Y139 HydrophobicContact CG-CD2 4.02Å; L135-Y139 HydrophobicContact CG-CE2 3.59Å; L135-Y139 WeakPolarHBondContact O-CD2 3.27Å; L135-Y139 PolarHBondContact O-N 3.48Å; G136-Y139 PolarHBondContact O-N 2.89Å; Y139-R142 CarbonylContact O-C 3.58Å; Y139-R142 PolarHBondContact O-N 3.46Å; Y139-N143 PolarHBondContact O-N 2.81Å; Y139-Q144 HydrophobicContact CD1-CB 4.01Å; Y139-Q144 WeakPolarHBondContact O-CB 3.38Å; Y139-Q144 PolarHBondContact O-N 2.96Å; Y139-E147 HydrophobicContact CD1-CB 3.86Å; Y139-E147 HydrophobicContact CD2-CB 4Å; Y139-E147 HydrophobicContact CE1-CB 4.13Å; Y139-E147 HydrophobicContact CE2-CB 4.25Å; Y139-E147 HydrophobicContact CG-CB 3.8Å; Y139-N151 WeakPolarHBondContact CD2-ND2 3.11Å; Y139-N151 VanDerWaalsContact CE2-ND2 3.34Å; Y139-N151 WeakPolarHBondContact CE2-ND2 3.46Å
140	K	92.9	Very high	94.4	Very high	59 Å²	59	46.2 Å²	46.2	26%	0.257	22%	0.223	S	C	.	.	H	α-helix	trans	-61.3	-46.6	176.9	-174.8	-174.7	171.6	-169.7	0	111.8	G136 N137 V138 R142 N143 A148	G136-K140 WeakPolarHBondContact O-CB 3.43Å; G136-K140 PolarHBondContact O-N 3.4Å; N137-K140 PolarHBondContact O-N 3.35Å; V138-K140 VanDerWaalsContact C-N 3.33Å; V138-K140 PolarHBondContact O-N 2.85Å; K140-R142 PolarHBondContact O-N 3.07Å; K140-N143 WeakPolarHBondContact O-CA 3.36Å; K140-N143 PolarHBondContact O-N 3.21Å; K140-A148 HydrophobicContact CB-CB 4.05Å
141	E	91.9	Very high	94.5	Very high	86 Å²	86	44.4 Å²	44.4	40%	0.402	22%	0.215	S	C	.	.	H	α-helix	trans	-65.9	-25.2	177	-74.3	-63.3	138.8	0	0	113.1	F106 R109 L111 N137 V138 N143	F106-E141 HydrophobicContact CE2-CB 4.39Å; F106-E141 HydrophobicContact CE2-CG 3.69Å; F106-E141 HydrophobicContact CZ-CG 3.58Å; R109-E141 IonicContact CZ-OE2 3.18Å; R109-E141 IonicContact NH1-OE2 3.47Å; R109-E141 PolarHBondContact NH1-OE2 3.06Å; R109-E141 IonicContact NH2-OE2 3.99Å; L111-E141 HydrophobicContact CD1-CB 4.08Å; L111-E141 HydrophobicContact CD2-CB 4.32Å; N137-E141 PolarHBondContact O-N 2.85Å; V138-E141 PolarHBondContact O-N 2.88Å; E141-N143 PolarHBondContact O-N 3.46Å
142	R	93.4	Very high	94.7	Very high	84 Å²	84	44.4 Å²	44.4	32%	0.317	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	3	170.5	-68.7	-177.2	-180	164.4	2.1	113.8	L111 D112 V138 Y139 K140 Q144	L111-R142 HydrophobicContact CD1-CG 3.75Å; D112-R142 IonicContact OD1-CZ 2.8Å; D112-R142 IonicContact OD1-NH2 2.95Å; D112-R142 PolarHBondContact OD1-NH2 3.05Å; V138-R142 WeakPolarHBondContact O-CG 3.37Å; V138-R142 PolarHBondContact O-N 2.9Å; V138-R142 VanDerWaalsContact O-N 3.13Å; Y139-R142 CarbonylContact O-C 3.58Å; Y139-R142 PolarHBondContact O-N 3.46Å; K140-R142 PolarHBondContact O-N 3.07Å; R142-Q144 HydrophobicContact CB-CG 4.04Å; R142-Q144 PolarHBondContact O-N 2.72Å
143	N	91.3	Very high	94.7	Very high	127 Å²	127	47.1 Å²	47.1	68%	0.679	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	23.3	-173.2	-158	42.2	0	0	0	113.8	Y139 K140 E141 L145	Y139-N143 PolarHBondContact O-N 2.81Å; K140-N143 WeakPolarHBondContact O-CA 3.36Å; K140-N143 PolarHBondContact O-N 3.21Å; E141-N143 PolarHBondContact O-N 3.46Å; N143-L145 PolarHBondContact O-N 2.74Å
144	Q	94	Very high	94.7	Very high	61 Å²	61	49.7 Å²	49.7	29%	0.285	24%	0.236	S	C	.	.			trans	-90.4	72	174.2	-65.2	-175.9	-89.3	0	0	109.3	Y139 R142 V146 E147 A148	Y139-Q144 HydrophobicContact CD1-CB 4.01Å; Y139-Q144 WeakPolarHBondContact O-CB 3.38Å; Y139-Q144 PolarHBondContact O-N 2.96Å; R142-Q144 HydrophobicContact CB-CG 4.04Å; R142-Q144 PolarHBondContact O-N 2.72Å; Q144-V146 PolarHBondContact O-N 2.86Å; Q144-E147 PolarHBondContact NE2-OE1 2.77Å; Q144-A148 WeakPolarHBondContact O-CB 3.31Å; Q144-A148 PolarHBondContact O-N 2.86Å
145	L	93.4	Very high	94.8	Very high	30 Å²	30	48.1 Å²	48.1	16%	0.157	23%	0.228	C	C	.	.	H	α-helix	trans	-67.4	-32.4	-167.2	-64.2	175.6	0	0	0	113.6	N143 A148 V149	N143-L145 PolarHBondContact O-N 2.74Å; L145-A148 PolarHBondContact O-N 2.87Å; L145-V149 WeakPolarHBondContact O-CB 3.46Å; L145-V149 VanDerWaalsContact O-CG2 3.27Å; L145-V149 WeakPolarHBondContact O-CG2 3.42Å; L145-V149 PolarHBondContact O-N 3.21Å
146	V	94	Very high	94.8	Very high	99 Å²	99	47.9 Å²	47.9	60%	0.6	23%	0.227	S	C	*	.	H	α-helix	trans	-66.7	-52	-179.3	178.9	0	0	0	0	109.8	Q144 A148 V149 E150	Q144-V146 PolarHBondContact O-N 2.86Å; V146-A148 VanDerWaalsContact C-N 3.29Å; V146-A148 PolarHBondContact O-N 3.27Å; V146-V149 PolarHBondContact O-N 3.21Å; V146-E150 WeakPolarHBondContact O-CG 3.28Å; V146-E150 PolarHBondContact O-N 3Å
147	E	94.6	Very high	94.8	Very high	66 Å²	66	56.2 Å²	56.2	31%	0.308	26%	0.259	S	S	.	.	H	α-helix	trans	-63.8	-36.6	178.3	-59.2	95.9	130	0	0	111.2	Y139 Q144 E150 N151	Y139-E147 HydrophobicContact CD1-CB 3.86Å; Y139-E147 HydrophobicContact CD2-CB 4Å; Y139-E147 HydrophobicContact CE1-CB 4.13Å; Y139-E147 HydrophobicContact CE2-CB 4.25Å; Y139-E147 HydrophobicContact CG-CB 3.8Å; Q144-E147 PolarHBondContact NE2-OE1 2.77Å; E147-E150 PolarHBondContact O-N 3.28Å; E147-N151 WeakPolarHBondContact O-CB 3.4Å; E147-N151 PolarHBondContact O-N 3.45Å; E147-N151 PolarHBondContact O-ND2 3.46Å
148	A	95.8	Very high	94.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.9	-51.6	173.7	0	0	0	0	0	111.4	K140 Q144 L145 V146 E150 N151 Y152	K140-A148 HydrophobicContact CB-CB 4.05Å; Q144-A148 WeakPolarHBondContact O-CB 3.31Å; Q144-A148 PolarHBondContact O-N 2.86Å; L145-A148 PolarHBondContact O-N 2.87Å; V146-A148 VanDerWaalsContact C-N 3.29Å; V146-A148 PolarHBondContact O-N 3.27Å; A148-E150 VanDerWaalsContact C-N 3.35Å; A148-E150 PolarHBondContact O-N 2.71Å; A148-N151 PolarHBondContact O-N 2.83Å; A148-Y152 HydrophobicContact CB-CD2 4.5Å; A148-Y152 HydrophobicContact CB-CE2 3.99Å; A148-Y152 WeakPolarHBondContact O-CD2 3.35Å; A148-Y152 PolarHBondContact O-N 2.88Å
149	V	96.1	Very high	94.7	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.03	28%	0.28	C	S	.	.	H	α-helix	trans	-60.6	-42.4	178.8	167.9	0	0	0	0	111.5	L145 V146 Y152 R153 L169 A172 L173	L145-V149 WeakPolarHBondContact O-CB 3.46Å; L145-V149 VanDerWaalsContact O-CG2 3.27Å; L145-V149 WeakPolarHBondContact O-CG2 3.42Å; L145-V149 PolarHBondContact O-N 3.21Å; V146-V149 PolarHBondContact O-N 3.21Å; V149-Y152 PolarHBondContact O-N 2.67Å; V149-R153 HydrophobicContact CG1-CG 4.37Å; V149-R153 WeakPolarHBondContact O-CB 3.44Å; V149-R153 VanDerWaalsContact O-CG 3.3Å; V149-R153 WeakPolarHBondContact O-CG 3.39Å; V149-R153 PolarHBondContact O-N 3.29Å; V149-L169 HydrophobicContact CB-CD1 4.49Å; V149-L169 HydrophobicContact CG1-CD1 3.97Å; V149-A172 HydrophobicContact CG2-CB 3.9Å; V149-L173 HydrophobicContact CG1-CD2 3.91Å; V149-L173 HydrophobicContact CG2-CD2 4.03Å; V149-L173 HydrophobicContact CG2-CG 4.28Å
150	E	95.6	Very high	94.6	Very high	114 Å²	114	61.3 Å²	61.3	53%	0.533	29%	0.29	S	S	.	.	H	α-helix	trans	-61.7	-43.8	177.1	-74.4	-178.9	171.9	0	0	112.4	V146 E147 A148 R153 H154	V146-E150 WeakPolarHBondContact O-CG 3.28Å; V146-E150 PolarHBondContact O-N 3Å; E147-E150 PolarHBondContact O-N 3.28Å; A148-E150 VanDerWaalsContact C-N 3.35Å; A148-E150 PolarHBondContact O-N 2.71Å; E150-R153 PolarHBondContact O-N 2.65Å; E150-H154 WeakPolarHBondContact O-CB 3.17Å; E150-H154 PolarHBondContact O-N 3.14Å
151	N	96.2	Very high	94.6	Very high	24 Å²	24	63 Å²	63	13%	0.128	30%	0.302	C	S	.	.	H	α-helix	trans	-66.9	-43	178.1	-83	-82.2	0	0	0	112	L135 Y139 E147 A148 H154 A155	L135-N151 WeakPolarHBondContact CD2-OD1 3.35Å; Y139-N151 WeakPolarHBondContact CD2-ND2 3.11Å; Y139-N151 VanDerWaalsContact CE2-ND2 3.34Å; Y139-N151 WeakPolarHBondContact CE2-ND2 3.46Å; E147-N151 WeakPolarHBondContact O-CB 3.4Å; E147-N151 PolarHBondContact O-N 3.45Å; E147-N151 PolarHBondContact O-ND2 3.46Å; A148-N151 PolarHBondContact O-N 2.83Å; N151-H154 WeakPolarHBondContact O-CB 3.39Å; N151-H154 PolarHBondContact O-N 3.47Å; N151-A155 PolarHBondContact O-N 3.28Å
152	Y	97.3	Very high	94.6	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65	-41.7	174.6	-61.2	-54.1	0	0	0	112.2	S133 G136 N137 A148 V149 H154 A155 V156 N168 L169 A172	S133-Y152 WeakPolarHBondContact O-CE1 3.05Å; G136-Y152 PolarHBondContact O-OH 3.39Å; N137-Y152 WeakPolarHBondContact CA-OH 3.29Å; N137-Y152 PolarHBondContact N-OH 2.83Å; N137-Y152 PolarHBondContact OD1-OH 3.04Å; A148-Y152 HydrophobicContact CB-CD2 4.5Å; A148-Y152 HydrophobicContact CB-CE2 3.99Å; A148-Y152 WeakPolarHBondContact O-CD2 3.35Å; A148-Y152 PolarHBondContact O-N 2.88Å; V149-Y152 PolarHBondContact O-N 2.67Å; Y152-H154 PolarHBondContact O-N 3.32Å; Y152-A155 WeakPolarHBondContact O-CB 3.4Å; Y152-A155 PolarHBondContact O-N 2.91Å; Y152-A155 VanDerWaalsContact O-N 3.17Å; Y152-V156 WeakPolarHBondContact O-CG2 3.23Å; Y152-V156 PolarHBondContact O-N 2.87Å; Y152-N168 HydrophobicContact CD1-CB 3.94Å; Y152-N168 HydrophobicContact CE1-CB 3.5Å; Y152-N168 VanDerWaalsContact CE1-CB 3.5Å; Y152-N168 HydrophobicContact CE2-CB 4.27Å; Y152-N168 HydrophobicContact CG-CB 4.48Å; Y152-L169 HydrophobicContact CG-CB 4.43Å; Y152-A172 HydrophobicContact CD2-CB 4.21Å; Y152-A172 HydrophobicContact CE2-CB 3.92Å
153	R	96.6	Very high	94.6	Very high	93 Å²	93	58.4 Å²	58.4	35%	0.351	29%	0.285	S	S	.	.	H	α-helix	trans	-60.2	-34.8	173.3	-79.1	-179.6	179.7	159.9	1.9	111.7	V149 E150 R157 L169	V149-R153 HydrophobicContact CG1-CG 4.37Å; V149-R153 WeakPolarHBondContact O-CB 3.44Å; V149-R153 VanDerWaalsContact O-CG 3.3Å; V149-R153 WeakPolarHBondContact O-CG 3.39Å; V149-R153 PolarHBondContact O-N 3.29Å; E150-R153 PolarHBondContact O-N 2.65Å; R153-R157 WeakPolarHBondContact O-CB 3.43Å; R153-R157 VanDerWaalsContact O-CG 3.3Å; R153-R157 WeakPolarHBondContact O-CG 3.44Å; R153-R157 PolarHBondContact O-N 3.18Å; R153-R157 PolarHBondContact O-NE 2.96Å; R153-L169 HydrophobicContact CG-CD1 3.99Å; R153-L169 HydrophobicContact CG-CD2 4.24Å
154	H	95.4	Very high	94.5	Very high	57 Å²	57	57.1 Å²	57.1	26%	0.264	28%	0.278	S	S	.	.	H	α-helix	trans	-69.3	-45.6	174.2	-161.4	77.5	0	0	0	111.2	Y132 E150 N151 Y152 V156 R157 L158	Y132-H154 HydrophobicContact CD1-CB 4.43Å; Y132-H154 AromaticContact CD1-CD2 3.54Å; Y132-H154 AromaticContact CD2-CD2 3.71Å; Y132-H154 AromaticContact CE1-CD2 3.39Å; Y132-H154 WeakPolarHBondContact CE1-CD2 3.47Å; Y132-H154 AromaticContact CE1-NE2 3.86Å; Y132-H154 AromaticContact CE2-CD2 3.6Å; Y132-H154 AromaticContact CE2-NE2 3.85Å; Y132-H154 AromaticContact CG-CD2 3.68Å; Y132-H154 AromaticContact CZ-CD2 3.42Å; Y132-H154 VanDerWaalsContact CZ-CD2 3.42Å; Y132-H154 AromaticContact CZ-NE2 3.53Å; E150-H154 WeakPolarHBondContact O-CB 3.17Å; E150-H154 PolarHBondContact O-N 3.14Å; N151-H154 WeakPolarHBondContact O-CB 3.39Å; N151-H154 PolarHBondContact O-N 3.47Å; Y152-H154 PolarHBondContact O-N 3.32Å; H154-V156 PolarHBondContact O-N 3.05Å; H154-R157 PolarHBondContact ND1-NH2 3.16Å; H154-R157 PolarHBondContact O-N 3.2Å; H154-R157 VanDerWaalsContact O-N 3.16Å; H154-L158 WeakPolarHBondContact O-CG 3.29Å; H154-L158 PolarHBondContact O-N 3.15Å; H154-L158 VanDerWaalsContact O-N 3.09Å
155	A	95.3	Very high	94.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-56.2	-50.4	176.8	0	0	0	0	0	112.5	A129 N151 Y152 R157 L158 K159 F162	A129-A155 WeakPolarHBondContact CB-O 3.31Å; A129-A155 WeakPolarHBondContact O-CB 3.31Å; N151-A155 PolarHBondContact O-N 3.28Å; Y152-A155 WeakPolarHBondContact O-CB 3.4Å; Y152-A155 PolarHBondContact O-N 2.91Å; Y152-A155 VanDerWaalsContact O-N 3.17Å; A155-R157 VanDerWaalsContact C-N 3.28Å; A155-R157 PolarHBondContact O-N 3.03Å; A155-L158 PolarHBondContact O-N 3.32Å; A155-K159 PolarHBondContact O-N 2.92Å; A155-F162 HydrophobicContact CB-CD1 4.36Å; A155-F162 HydrophobicContact CB-CE1 4.37Å
156	V	95.5	Very high	94.6	Very high	13 Å²	13	54.2 Å²	54.2	8%	0.079	26%	0.262	C	S	.	.	H	α-helix	trans	-70.9	-19.9	179.7	-57.7	0	0	0	0	113.4	Y152 H154 K159 P160 Y166 L169	Y152-V156 WeakPolarHBondContact O-CG2 3.23Å; Y152-V156 PolarHBondContact O-N 2.87Å; H154-V156 PolarHBondContact O-N 3.05Å; V156-K159 CarbonylContact O-C 3.56Å; V156-K159 VanDerWaalsContact O-C 3.32Å; V156-P160 VanDerWaalsContact O-CA 3.25Å; V156-P160 WeakPolarHBondContact O-CA 3.28Å; V156-Y166 HydrophobicContact CB-CD1 4.45Å; V156-Y166 HydrophobicContact CB-CE1 3.94Å; V156-Y166 HydrophobicContact CB-CE2 4.08Å; V156-Y166 HydrophobicContact CG1-CD1 4.03Å; V156-Y166 HydrophobicContact CG1-CD2 4.03Å; V156-Y166 HydrophobicContact CG1-CE1 4.03Å; V156-Y166 HydrophobicContact CG1-CE2 4.02Å; V156-Y166 HydrophobicContact CG1-CG 4.03Å; V156-Y166 HydrophobicContact CG2-CE1 4.06Å; V156-L169 HydrophobicContact CG2-CD2 4.46Å
157	R	95.6	Very high	94.7	Very high	176 Å²	176	51.3 Å²	51.3	66%	0.664	24%	0.243	S	C	*	.	H	α-helix	trans	-74.3	-37.6	170.5	-82.2	-175	-64.6	-176.2	0.8	112.1	R153 H154 A155	R153-R157 WeakPolarHBondContact O-CB 3.43Å; R153-R157 VanDerWaalsContact O-CG 3.3Å; R153-R157 WeakPolarHBondContact O-CG 3.44Å; R153-R157 PolarHBondContact O-N 3.18Å; R153-R157 PolarHBondContact O-NE 2.96Å; H154-R157 PolarHBondContact ND1-NH2 3.16Å; H154-R157 PolarHBondContact O-N 3.2Å; H154-R157 VanDerWaalsContact O-N 3.16Å; A155-R157 VanDerWaalsContact C-N 3.28Å; A155-R157 PolarHBondContact O-N 3.03Å
158	L	94.6	Very high	94.7	Very high	54 Å²	54	50 Å²	50	28%	0.283	24%	0.238	S	C	.	.	H	α-helix	trans	-71.4	-36.1	176.6	-68.4	174.8	0	0	0	111.6	L127 A129 Y132 H154 A155	L127-L158 HydrophobicContact CD2-CD2 3.81Å; A129-L158 HydrophobicContact CB-CB 4.01Å; Y132-L158 HydrophobicContact CD2-CD1 3.54Å; Y132-L158 HydrophobicContact CE2-CD1 3.51Å; H154-L158 WeakPolarHBondContact O-CG 3.29Å; H154-L158 PolarHBondContact O-N 3.15Å; H154-L158 VanDerWaalsContact O-N 3.09Å; A155-L158 PolarHBondContact O-N 3.32Å
159	K	94.1	Very high	94.7	Very high	72 Å²	72	50.5 Å²	50.5	31%	0.313	24%	0.241	S	C	.	.			trans	-132.3	88.7	179.2	-171.3	174.6	175.8	161.2	0	110.2	A129 E130 A155 V156 D161 F162	A129-K159 HydrophobicContact CB-CB 3.55Å; A129-K159 HydrophobicContact CB-CD 4.29Å; E130-K159 IonicContact OE1-NZ 3.05Å; E130-K159 PolarHBondContact OE1-NZ 3.49Å; A155-K159 PolarHBondContact O-N 2.92Å; V156-K159 CarbonylContact O-C 3.56Å; V156-K159 VanDerWaalsContact O-C 3.32Å; K159-D161 WeakPolarHBondContact CG-OD1 3.24Å; K159-D161 PolarHBondContact O-N 2.83Å; K159-F162 HydrophobicContact CB-CB 3.97Å; K159-F162 HydrophobicContact CD-CB 4.02Å; K159-F162 HydrophobicContact CD-CD2 4.3Å; K159-F162 HydrophobicContact CD-CG 4.25Å; K159-F162 HydrophobicContact CG-CB 3.83Å; K159-F162 WeakPolarHBondContact O-CB 3.44Å; K159-F162 PolarHBondContact O-N 3.19Å; K159-F162 VanDerWaalsContact O-N 3.11Å
160	P	92.6	Very high	94.7	Very high	68 Å²	68	50.3 Å²	50.3	44%	0.442	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.2	-175	-27.4	36.7	0	0	0	116.1	V156 Y166 Y192	V156-P160 VanDerWaalsContact O-CA 3.25Å; V156-P160 WeakPolarHBondContact O-CA 3.28Å; P160-Y166 VanDerWaalsContact O-CE2 3.26Å; P160-Y166 WeakPolarHBondContact O-CE2 3.08Å; P160-Y166 PolarHBondContact O-OH 2.71Å; P160-Y192 WeakPolarHBondContact O-CE2 3.33Å; P160-Y192 PolarHBondContact O-OH 2.82Å
161	D	92.3	Very high	94.6	Very high	94 Å²	94	46 Å²	46	50%	0.503	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	14	177.4	63.9	-22	0	0	0	112.9	K159 I163 Y192	K159-D161 WeakPolarHBondContact CG-OD1 3.24Å; K159-D161 PolarHBondContact O-N 2.83Å; D161-I163 PolarHBondContact O-N 3.33Å; D161-Y192 HydrophobicContact CB-CD1 3.88Å; D161-Y192 HydrophobicContact CB-CE1 3.77Å; D161-Y192 HydrophobicContact CB-CG 4.45Å
162	F	93.3	Very high	94.5	Very high	25 Å²	25	44.8 Å²	44.8	11%	0.11	22%	0.217	C	C	.	.			trans	-80.7	85	-175.3	-171.8	-140.4	0	0	0	113	S133 A155 K159 D164 G165 Y166	S133-F162 WeakPolarHBondContact OG-CE1 3.46Å; A155-F162 HydrophobicContact CB-CD1 4.36Å; A155-F162 HydrophobicContact CB-CE1 4.37Å; K159-F162 HydrophobicContact CB-CB 3.97Å; K159-F162 HydrophobicContact CD-CB 4.02Å; K159-F162 HydrophobicContact CD-CD2 4.3Å; K159-F162 HydrophobicContact CD-CG 4.25Å; K159-F162 HydrophobicContact CG-CB 3.83Å; K159-F162 WeakPolarHBondContact O-CB 3.44Å; K159-F162 PolarHBondContact O-N 3.19Å; K159-F162 VanDerWaalsContact O-N 3.11Å; F162-D164 HydrophobicContact CE2-CB 4Å; F162-D164 HydrophobicContact CZ-CB 4.16Å; F162-D164 PolarHBondContact O-N 3.39Å; F162-G165 VanDerWaalsContact CD1-CA 3.49Å; F162-G165 WeakPolarHBondContact O-CA 3.45Å; F162-G165 PolarHBondContact O-N 3.28Å; F162-G165 VanDerWaalsContact O-N 3.08Å; F162-Y166 VanDerWaalsContact O-CD2 3.27Å; F162-Y166 WeakPolarHBondContact O-CD2 3.46Å; F162-Y166 PolarHBondContact O-N 3.31Å
163	I	92.3	Very high	94.5	Very high	49 Å²	49	45 Å²	45	25%	0.251	22%	0.218	S	C	.	.	H	α-helix	trans	-50.9	-54	-177.3	-60.1	170.8	0	0	0	112.2	D161 G165 Y166 I167 A189 L196	D161-I163 PolarHBondContact O-N 3.33Å; I163-G165 PolarHBondContact O-N 3.29Å; I163-Y166 PolarHBondContact O-N 3.27Å; I163-I167 HydrophobicContact CG2-CD1 3.82Å; I163-I167 HydrophobicContact CG2-CG1 4.4Å; I163-I167 PolarHBondContact O-N 3.21Å; I163-A189 HydrophobicContact CG2-CB 4.45Å; I163-L196 HydrophobicContact CG2-CD1 3.4Å
164	D	89.9	Confident	94.4	Very high	99 Å²	99	43.2 Å²	43.2	53%	0.529	22%	0.217	S	C	.	.	H	α-helix	trans	-59.7	-33.5	-178.5	-67.9	-25.6	0	0	0	112.2	F162 I167 N168	F162-D164 HydrophobicContact CE2-CB 4Å; F162-D164 HydrophobicContact CZ-CB 4.16Å; F162-D164 PolarHBondContact O-N 3.39Å; D164-I167 PolarHBondContact O-N 2.72Å; D164-N168 WeakPolarHBondContact O-CB 3.36Å; D164-N168 PolarHBondContact O-N 2.81Å; D164-N168 PolarHBondContact O-ND2 3.34Å
165	G	92.8	Very high	94.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.8	-43.1	173.9	0	0	0	0	0	112.3	F162 I163 L169	F162-G165 VanDerWaalsContact CD1-CA 3.49Å; F162-G165 WeakPolarHBondContact O-CA 3.45Å; F162-G165 PolarHBondContact O-N 3.28Å; F162-G165 VanDerWaalsContact O-N 3.08Å; I163-G165 PolarHBondContact O-N 3.29Å; G165-L169 WeakPolarHBondContact O-CB 3.31Å; G165-L169 PolarHBondContact O-N 3.37Å
166	Y	96.9	Very high	94	Very high	31 Å²	31	46.2 Å²	46.2	12%	0.122	25%	0.245	C	C	.	.	H	α-helix	trans	-69.9	-38.6	176.1	-73	-72.7	0	0	0	113.2	V156 P160 F162 I163 L169 A170 T188 Y192	V156-Y166 HydrophobicContact CB-CD1 4.45Å; V156-Y166 HydrophobicContact CB-CE1 3.94Å; V156-Y166 HydrophobicContact CB-CE2 4.08Å; V156-Y166 HydrophobicContact CG1-CD1 4.03Å; V156-Y166 HydrophobicContact CG1-CD2 4.03Å; V156-Y166 HydrophobicContact CG1-CE1 4.03Å; V156-Y166 HydrophobicContact CG1-CE2 4.02Å; V156-Y166 HydrophobicContact CG1-CG 4.03Å; V156-Y166 HydrophobicContact CG2-CE1 4.06Å; P160-Y166 VanDerWaalsContact O-CE2 3.26Å; P160-Y166 WeakPolarHBondContact O-CE2 3.08Å; P160-Y166 PolarHBondContact O-OH 2.71Å; F162-Y166 VanDerWaalsContact O-CD2 3.27Å; F162-Y166 WeakPolarHBondContact O-CD2 3.46Å; F162-Y166 PolarHBondContact O-N 3.31Å; I163-Y166 PolarHBondContact O-N 3.27Å; Y166-L169 HydrophobicContact CD1-CD2 4.5Å; Y166-L169 PolarHBondContact O-N 2.81Å; Y166-A170 WeakPolarHBondContact O-CB 3.35Å; Y166-A170 PolarHBondContact O-N 2.92Å; Y166-T188 HydrophobicContact CD1-CG2 4.02Å; Y166-T188 HydrophobicContact CD2-CG2 4.23Å; Y166-T188 HydrophobicContact CE1-CG2 3.57Å; Y166-T188 HydrophobicContact CE2-CG2 3.82Å; Y166-T188 HydrophobicContact CG-CG2 4.33Å; Y166-T188 VanDerWaalsContact CZ-CG2 3.46Å; Y166-Y192 HydrophobicContact CE2-CD2 4.31Å; Y166-Y192 HydrophobicContact CE2-CE2 4.07Å
167	I	95.7	Very high	93.7	Very high	38 Å²	38	48.1 Å²	48.1	20%	0.195	27%	0.267	C	S	.	.	H	α-helix	trans	-62.8	-47.7	176.9	-64.4	168.1	0	0	0	110	I163 D164 A170 A171 A189 L196 V199	I163-I167 HydrophobicContact CG2-CD1 3.82Å; I163-I167 HydrophobicContact CG2-CG1 4.4Å; I163-I167 PolarHBondContact O-N 3.21Å; D164-I167 PolarHBondContact O-N 2.72Å; I167-A170 PolarHBondContact O-N 3.03Å; I167-A171 PolarHBondContact O-N 3.44Å; I167-A189 HydrophobicContact CG1-CB 4.04Å; I167-L196 HydrophobicContact CD1-CD1 4.45Å; I167-V199 HydrophobicContact CD1-CG2 3.64Å; I167-V199 HydrophobicContact CG1-CG1 4.24Å; I167-V199 HydrophobicContact CG1-CG2 3.96Å
168	N	94.5	Very high	93.6	Very high	38 Å²	38	43 Å²	43	20%	0.203	25%	0.251	C	S	.	.	H	α-helix	trans	-66.1	-39.2	178.4	-71.4	-37.7	0	0	0	112.2	Y152 D164 A171 A172	Y152-N168 HydrophobicContact CD1-CB 3.94Å; Y152-N168 HydrophobicContact CE1-CB 3.5Å; Y152-N168 VanDerWaalsContact CE1-CB 3.5Å; Y152-N168 HydrophobicContact CE2-CB 4.27Å; Y152-N168 HydrophobicContact CG-CB 4.48Å; D164-N168 WeakPolarHBondContact O-CB 3.36Å; D164-N168 PolarHBondContact O-N 2.81Å; D164-N168 PolarHBondContact O-ND2 3.34Å; N168-A171 PolarHBondContact O-N 3.29Å; N168-A172 PolarHBondContact O-N 2.9Å
169	L	96.7	Very high	93.6	Very high	11 Å²	11	43.2 Å²	43.2	6%	0.058	25%	0.252	C	S	.	.	H	α-helix	trans	-58.2	-48.8	171.9	176.9	58.2	0	0	0	111.2	V149 Y152 R153 V156 G165 Y166 A171 A172 L173 A185	V149-L169 HydrophobicContact CB-CD1 4.49Å; V149-L169 HydrophobicContact CG1-CD1 3.97Å; Y152-L169 HydrophobicContact CG-CB 4.43Å; R153-L169 HydrophobicContact CG-CD1 3.99Å; R153-L169 HydrophobicContact CG-CD2 4.24Å; V156-L169 HydrophobicContact CG2-CD2 4.46Å; G165-L169 WeakPolarHBondContact O-CB 3.31Å; G165-L169 PolarHBondContact O-N 3.37Å; Y166-L169 HydrophobicContact CD1-CD2 4.5Å; Y166-L169 PolarHBondContact O-N 2.81Å; L169-A171 PolarHBondContact O-N 3.46Å; L169-A172 PolarHBondContact O-N 3.13Å; L169-L173 HydrophobicContact CD1-CD1 3.75Å; L169-L173 HydrophobicContact CD1-CG 3.96Å; L169-L173 HydrophobicContact CD2-CD1 4.47Å; L169-L173 HydrophobicContact CG-CD1 3.71Å; L169-L173 HydrophobicContact CG-CG 4.35Å; L169-L173 WeakPolarHBondContact O-CB 3.34Å; L169-L173 VanDerWaalsContact O-CG 3.24Å; L169-L173 WeakPolarHBondContact O-CG 3.3Å; L169-L173 PolarHBondContact O-N 2.82Å; L169-A185 HydrophobicContact CD2-CB 4.24Å; L169-A185 HydrophobicContact CG-CB 4.2Å
170	A	96.1	Very high	93.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.8	-48.2	179.8	0	0	0	0	0	111.2	Y166 I167 A172 L173 V174 A185 Y186	Y166-A170 WeakPolarHBondContact O-CB 3.35Å; Y166-A170 PolarHBondContact O-N 2.92Å; I167-A170 PolarHBondContact O-N 3.03Å; A170-A172 VanDerWaalsContact C-N 3.34Å; A170-A172 PolarHBondContact O-N 3.24Å; A170-L173 PolarHBondContact O-N 2.95Å; A170-L173 VanDerWaalsContact O-N 3.16Å; A170-V174 WeakPolarHBondContact O-CG2 3.49Å; A170-V174 PolarHBondContact O-N 2.85Å; A170-A185 HydrophobicContact CB-CB 3.75Å; A170-Y186 HydrophobicContact CB-CD1 3.54Å; A170-Y186 HydrophobicContact CB-CD2 3.76Å; A170-Y186 HydrophobicContact CB-CE1 3.48Å; A170-Y186 VanDerWaalsContact CB-CE1 3.48Å; A170-Y186 HydrophobicContact CB-CE2 3.7Å; A170-Y186 HydrophobicContact CB-CG 3.68Å
171	A	93.7	Very high	93.7	Very high	23 Å²	23	45.7 Å²	45.7	19%	0.19	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-41.7	178	0	0	0	0	0	112.6	I167 N168 L169 V174 S175	I167-A171 PolarHBondContact O-N 3.44Å; N168-A171 PolarHBondContact O-N 3.29Å; L169-A171 PolarHBondContact O-N 3.46Å; A171-V174 PolarHBondContact O-N 3.24Å; A171-S175 PolarHBondContact O-N 3.26Å; A171-S175 VanDerWaalsContact O-N 3.13Å; A171-S175 PolarHBondContact O-OG 3.02Å
172	A	94	Very high	93.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-69	-36.3	176	0	0	0	0	0	112.7	V149 Y152 N168 L169 A170 S175 S176	V149-A172 HydrophobicContact CG2-CB 3.9Å; Y152-A172 HydrophobicContact CD2-CB 4.21Å; Y152-A172 HydrophobicContact CE2-CB 3.92Å; N168-A172 PolarHBondContact O-N 2.9Å; L169-A172 PolarHBondContact O-N 3.13Å; A170-A172 VanDerWaalsContact C-N 3.34Å; A170-A172 PolarHBondContact O-N 3.24Å; A172-S175 PolarHBondContact O-N 3.34Å; A172-S176 PolarHBondContact O-N 2.98Å; A172-S176 PolarHBondContact O-OG 2.9Å; A172-S176 VanDerWaalsContact O-OG 3.1Å
173	L	96.1	Very high	94.1	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.016	23%	0.233	C	C	.	.	H	α-helix	trans	-65.1	-39.1	174.8	-73.2	168.5	0	0	0	111.8	V149 L169 A170 S176 G177 Q178 Q181 A182 A185	V149-L173 HydrophobicContact CG1-CD2 3.91Å; V149-L173 HydrophobicContact CG2-CD2 4.03Å; V149-L173 HydrophobicContact CG2-CG 4.28Å; L169-L173 HydrophobicContact CD1-CD1 3.75Å; L169-L173 HydrophobicContact CD1-CG 3.96Å; L169-L173 HydrophobicContact CD2-CD1 4.47Å; L169-L173 HydrophobicContact CG-CD1 3.71Å; L169-L173 HydrophobicContact CG-CG 4.35Å; L169-L173 WeakPolarHBondContact O-CB 3.34Å; L169-L173 VanDerWaalsContact O-CG 3.24Å; L169-L173 WeakPolarHBondContact O-CG 3.3Å; L169-L173 PolarHBondContact O-N 2.82Å; A170-L173 PolarHBondContact O-N 2.95Å; A170-L173 VanDerWaalsContact O-N 3.16Å; L173-S176 WeakPolarHBondContact CA-OG 3.21Å; L173-S176 PolarHBondContact O-N 3.24Å; L173-S176 PolarHBondContact O-OG 3.4Å; L173-G177 PolarHBondContact O-N 2.93Å; L173-G177 VanDerWaalsContact O-N 3.17Å; L173-Q178 HydrophobicContact CB-CB 4.42Å; L173-Q178 HydrophobicContact CD2-CB 3.8Å; L173-Q178 HydrophobicContact CD2-CG 4.46Å; L173-Q178 PolarHBondContact O-N 3.22Å; L173-Q181 HydrophobicContact CD1-CB 3.85Å; L173-Q181 HydrophobicContact CD2-CB 4.19Å; L173-A182 HydrophobicContact CB-CB 3.68Å; L173-A185 HydrophobicContact CD1-CB 4.3Å
174	V	94	Very high	94.3	Very high	56 Å²	56	43.8 Å²	43.8	34%	0.339	25%	0.246	S	C	.	.	H	α-helix	trans	-60	-50.1	171.3	174.7	0	0	0	0	110.6	A170 A171 S176 G177 A182 L206	A170-V174 WeakPolarHBondContact O-CG2 3.49Å; A170-V174 PolarHBondContact O-N 2.85Å; A171-V174 PolarHBondContact O-N 3.24Å; V174-S176 PolarHBondContact O-N 3.18Å; V174-G177 PolarHBondContact O-N 2.93Å; V174-A182 HydrophobicContact CG2-CB 3.63Å; V174-L206 HydrophobicContact CG2-CD1 3.98Å; V174-L206 HydrophobicContact CG2-CD2 4.02Å
175	S	91.9	Very high	94.5	Very high	77 Å²	77	39.3 Å²	39.3	54%	0.538	22%	0.224	S	C	.	.	H	α-helix	trans	-62.5	-28	179.1	-60.1	0	0	0	0	113.7	A171 A172	A171-S175 PolarHBondContact O-N 3.26Å; A171-S175 VanDerWaalsContact O-N 3.13Å; A171-S175 PolarHBondContact O-OG 3.02Å; A172-S175 PolarHBondContact O-N 3.34Å
176	S	90.6	Very high	94.7	Very high	43 Å²	43	40.2 Å²	40.2	30%	0.301	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-0.4	176.2	62.2	0	0	0	0	114.4	A172 L173 V174 Q178	A172-S176 PolarHBondContact O-N 2.98Å; A172-S176 PolarHBondContact O-OG 2.9Å; A172-S176 VanDerWaalsContact O-OG 3.1Å; L173-S176 WeakPolarHBondContact CA-OG 3.21Å; L173-S176 PolarHBondContact O-N 3.24Å; L173-S176 PolarHBondContact O-OG 3.4Å; V174-S176 PolarHBondContact O-N 3.18Å; S176-Q178 VanDerWaalsContact C-N 3.35Å; S176-Q178 PolarHBondContact OG-NE2 3.07Å
177	G	90.6	Very high	94.7	Very high	53 Å²	53	41.8 Å²	41.8	55%	0.546	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	7	-179.7	0	0	0	0	0	115.4	L173 V174 L179	L173-G177 PolarHBondContact O-N 2.93Å; L173-G177 VanDerWaalsContact O-N 3.17Å; V174-G177 PolarHBondContact O-N 2.93Å; G177-L179 VanDerWaalsContact C-N 3.3Å; G177-L179 PolarHBondContact O-N 3.44Å; G177-L179 VanDerWaalsContact O-N 3.08Å
178	Q	93.3	Very high	94.7	Very high	70 Å²	70	41.3 Å²	41.3	33%	0.327	24%	0.239	S	C	.	.			trans	-86.5	65.9	178.9	-69.3	178.2	70.3	0	0	111.4	L173 S176 E180 Q181 A182	L173-Q178 HydrophobicContact CB-CB 4.42Å; L173-Q178 HydrophobicContact CD2-CB 3.8Å; L173-Q178 HydrophobicContact CD2-CG 4.46Å; L173-Q178 PolarHBondContact O-N 3.22Å; S176-Q178 VanDerWaalsContact C-N 3.35Å; S176-Q178 PolarHBondContact OG-NE2 3.07Å; Q178-E180 PolarHBondContact O-N 3.15Å; Q178-Q181 HydrophobicContact CB-CB 4.46Å; Q178-Q181 PolarHBondContact O-N 3.45Å; Q178-A182 PolarHBondContact O-N 2.79Å; Q178-A182 VanDerWaalsContact O-N 3.08Å
179	L	93.9	Very high	94.7	Very high	58 Å²	58	39.5 Å²	39.5	30%	0.304	23%	0.229	S	C	.	.	H	α-helix	trans	-62.2	-46.1	-165.9	-51.7	-177.6	0	0	0	114.2	G177 Q181 A182 V183 L206 M210	G177-L179 VanDerWaalsContact C-N 3.3Å; G177-L179 PolarHBondContact O-N 3.44Å; G177-L179 VanDerWaalsContact O-N 3.08Å; L179-Q181 VanDerWaalsContact C-N 3.29Å; L179-Q181 PolarHBondContact O-N 3.19Å; L179-A182 WeakPolarHBondContact O-CB 3.27Å; L179-A182 PolarHBondContact O-N 2.92Å; L179-A182 VanDerWaalsContact O-N 3.11Å; L179-V183 PolarHBondContact O-N 3.31Å; L179-L206 HydrophobicContact CB-CD1 4.13Å; L179-L206 HydrophobicContact CD2-CD1 3.74Å; L179-L206 HydrophobicContact CG-CD1 4.37Å; L179-M210 HydrophobicContact CB-CE 4.01Å; L179-M210 HydrophobicContact CB-CG 4.19Å; L179-M210 HydrophobicContact CB-SD 3.76Å; L179-M210 HydrophobicContact CD1-CG 3.79Å; L179-M210 HydrophobicContact CD1-SD 4.47Å
180	E	95	Very high	94.6	Very high	107 Å²	107	39.7 Å²	39.7	50%	0.5	23%	0.23	S	C	.	.	H	α-helix	trans	-64.6	-33.6	-179.8	-74.7	-63.7	169.7	0	0	112.9	Q178 V183 Q184 M210 R212	Q178-E180 PolarHBondContact O-N 3.15Å; E180-V183 WeakPolarHBondContact O-CB 3.17Å; E180-V183 PolarHBondContact O-N 3.27Å; E180-Q184 PolarHBondContact O-N 3.34Å; E180-Q184 VanDerWaalsContact O-N 3.07Å; E180-M210 VanDerWaalsContact CD-CE 3.42Å; E180-M210 HydrophobicContact CG-CE 3.92Å; E180-M210 WeakPolarHBondContact OE1-CE 3.36Å; E180-R212 VanDerWaalsContact CD-NH1 3.34Å; E180-R212 IonicContact OE1-NH1 3.7Å; E180-R212 PolarHBondContact OE1-NH1 3.3Å; E180-R212 IonicContact OE2-NH1 3.86Å; E180-R212 PolarHBondContact OE2-NH1 2.84Å
181	Q	94.9	Very high	94.6	Very high	85 Å²	85	46.5 Å²	46.5	40%	0.397	26%	0.262	S	S	.	.	H	α-helix	trans	-72.6	-34.3	175.5	-63	-178.2	45	0	0	111.5	L173 Q178 L179 V183 Q184 A185	L173-Q181 HydrophobicContact CD1-CB 3.85Å; L173-Q181 HydrophobicContact CD2-CB 4.19Å; Q178-Q181 HydrophobicContact CB-CB 4.46Å; Q178-Q181 PolarHBondContact O-N 3.45Å; L179-Q181 VanDerWaalsContact C-N 3.29Å; L179-Q181 PolarHBondContact O-N 3.19Å; Q181-V183 VanDerWaalsContact C-N 3.33Å; Q181-Q184 PolarHBondContact O-N 2.95Å; Q181-A185 WeakPolarHBondContact O-CB 3.37Å; Q181-A185 PolarHBondContact O-N 3.28Å
182	A	96.1	Very high	94.5	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.4	-40.5	172.3	0	0	0	0	0	111.5	L173 V174 Q178 L179 Q184 A185 Y186 L206	L173-A182 HydrophobicContact CB-CB 3.68Å; V174-A182 HydrophobicContact CG2-CB 3.63Å; Q178-A182 PolarHBondContact O-N 2.79Å; Q178-A182 VanDerWaalsContact O-N 3.08Å; L179-A182 WeakPolarHBondContact O-CB 3.27Å; L179-A182 PolarHBondContact O-N 2.92Å; L179-A182 VanDerWaalsContact O-N 3.11Å; A182-Q184 PolarHBondContact O-N 3.41Å; A182-A185 PolarHBondContact O-N 3.41Å; A182-Y186 WeakPolarHBondContact O-CD2 3.3Å; A182-Y186 PolarHBondContact O-N 3.5Å; A182-L206 HydrophobicContact CB-CD2 3.66Å
183	V	97.1	Very high	94.4	Very high	12 Å²	12	50.5 Å²	50.5	7%	0.073	28%	0.276	C	S	.	.	H	α-helix	trans	-56.2	-51	171.9	168.8	0	0	0	0	110.2	L179 E180 Q181 A185 Y186 V187 L203 L206 L207 M210	L179-V183 PolarHBondContact O-N 3.31Å; E180-V183 WeakPolarHBondContact O-CB 3.17Å; E180-V183 PolarHBondContact O-N 3.27Å; Q181-V183 VanDerWaalsContact C-N 3.33Å; V183-A185 VanDerWaalsContact C-N 3.32Å; V183-A185 PolarHBondContact O-N 3.02Å; V183-Y186 PolarHBondContact O-N 3.19Å; V183-V187 HydrophobicContact CG1-CG2 4.27Å; V183-V187 VanDerWaalsContact O-CG2 3.3Å; V183-V187 WeakPolarHBondContact O-CG2 3.23Å; V183-V187 PolarHBondContact O-N 2.91Å; V183-L203 HydrophobicContact CB-CD1 4.21Å; V183-L203 HydrophobicContact CG1-CD1 3.97Å; V183-L203 HydrophobicContact CG2-CD1 4.06Å; V183-L206 HydrophobicContact CG2-CD2 3.61Å; V183-L206 HydrophobicContact CG2-CG 4.08Å; V183-L207 HydrophobicContact CG2-CD2 4.1Å; V183-M210 HydrophobicContact CG2-CE 4.47Å; V183-M210 HydrophobicContact CG2-SD 3.92Å
184	Q	96	Very high	94.2	Very high	115 Å²	115	53.8 Å²	53.8	54%	0.537	30%	0.297	S	S	.	.	H	α-helix	trans	-62.1	-39.5	-179.9	-172.5	58.2	46.9	0	0	112.5	E180 Q181 A182 V187 T188	E180-Q184 PolarHBondContact O-N 3.34Å; E180-Q184 VanDerWaalsContact O-N 3.07Å; Q181-Q184 PolarHBondContact O-N 2.95Å; A182-Q184 PolarHBondContact O-N 3.41Å; Q184-V187 PolarHBondContact O-N 3.36Å; Q184-T188 PolarHBondContact NE2-OG1 2.87Å; Q184-T188 WeakPolarHBondContact O-CB 3.45Å; Q184-T188 PolarHBondContact O-N 2.97Å; Q184-T188 PolarHBondContact O-OG1 3.28Å
185	A	95.6	Very high	94	Very high	6 Å²	6	56.7 Å²	56.7	5%	0.05	31%	0.311	C	S	.	.	H	α-helix	trans	-62.6	-46.1	176	0	0	0	0	0	111.6	L169 A170 L173 Q181 A182 V183 T188 A189	L169-A185 HydrophobicContact CD2-CB 4.24Å; L169-A185 HydrophobicContact CG-CB 4.2Å; A170-A185 HydrophobicContact CB-CB 3.75Å; L173-A185 HydrophobicContact CD1-CB 4.3Å; Q181-A185 WeakPolarHBondContact O-CB 3.37Å; Q181-A185 PolarHBondContact O-N 3.28Å; A182-A185 PolarHBondContact O-N 3.41Å; V183-A185 VanDerWaalsContact C-N 3.32Å; V183-A185 PolarHBondContact O-N 3.02Å; A185-T188 PolarHBondContact O-N 3.27Å; A185-A189 PolarHBondContact O-N 3.48Å
186	Y	96.9	Very high	94.1	Very high	18 Å²	18	55.9 Å²	55.9	7%	0.071	30%	0.3	C	S	.	.	H	α-helix	trans	-62.9	-43.4	174	-78.6	-47.8	0	0	0	113.2	A170 A182 V183 T188 A189 L190 V199 D202 L203 L206	A170-Y186 HydrophobicContact CB-CD1 3.54Å; A170-Y186 HydrophobicContact CB-CD2 3.76Å; A170-Y186 HydrophobicContact CB-CE1 3.48Å; A170-Y186 VanDerWaalsContact CB-CE1 3.48Å; A170-Y186 HydrophobicContact CB-CE2 3.7Å; A170-Y186 HydrophobicContact CB-CG 3.68Å; A182-Y186 WeakPolarHBondContact O-CD2 3.3Å; A182-Y186 PolarHBondContact O-N 3.5Å; V183-Y186 PolarHBondContact O-N 3.19Å; Y186-T188 PolarHBondContact O-N 3.13Å; Y186-A189 WeakPolarHBondContact O-CB 3.42Å; Y186-A189 PolarHBondContact O-N 3.3Å; Y186-L190 WeakPolarHBondContact O-CB 3.29Å; Y186-L190 VanDerWaalsContact O-CG 3.31Å; Y186-L190 WeakPolarHBondContact O-CG 3.47Å; Y186-L190 PolarHBondContact O-N 3.16Å; Y186-V199 HydrophobicContact CD1-CG1 3.45Å; Y186-V199 VanDerWaalsContact CD1-CG1 3.45Å; Y186-V199 HydrophobicContact CE1-CG1 3.93Å; Y186-V199 HydrophobicContact CG-CG1 4.42Å; Y186-D202 HydrophobicContact CE1-CB 4.48Å; Y186-L203 HydrophobicContact CD2-CB 4.26Å; Y186-L203 HydrophobicContact CD2-CD1 4.36Å; Y186-L203 HydrophobicContact CG-CB 4.29Å; Y186-L206 HydrophobicContact CD2-CD2 4.19Å; Y186-L206 HydrophobicContact CE2-CD2 4.27Å
187	V	96.4	Very high	94.2	Very high	65 Å²	65	57.4 Å²	57.4	39%	0.394	30%	0.3	S	S	.	.	H	α-helix	trans	-59.8	-38.8	176.7	169	0	0	0	0	110.8	V183 Q184 L190 H191 L203	V183-V187 HydrophobicContact CG1-CG2 4.27Å; V183-V187 VanDerWaalsContact O-CG2 3.3Å; V183-V187 WeakPolarHBondContact O-CG2 3.23Å; V183-V187 PolarHBondContact O-N 2.91Å; Q184-V187 PolarHBondContact O-N 3.36Å; V187-L190 PolarHBondContact O-N 2.82Å; V187-H191 PolarHBondContact O-N 2.84Å; V187-L203 HydrophobicContact CG2-CD2 4.02Å
188	T	96	Very high	94.3	Very high	28 Å²	28	57.6 Å²	57.6	17%	0.172	29%	0.292	C	S	.	.	H	α-helix	trans	-70.9	-41.3	178	-50	0	0	0	0	111.3	Y166 Q184 A185 Y186 L190 H191 Y192	Y166-T188 HydrophobicContact CD1-CG2 4.02Å; Y166-T188 HydrophobicContact CD2-CG2 4.23Å; Y166-T188 HydrophobicContact CE1-CG2 3.57Å; Y166-T188 HydrophobicContact CE2-CG2 3.82Å; Y166-T188 HydrophobicContact CG-CG2 4.33Å; Y166-T188 VanDerWaalsContact CZ-CG2 3.46Å; Q184-T188 PolarHBondContact NE2-OG1 2.87Å; Q184-T188 WeakPolarHBondContact O-CB 3.45Å; Q184-T188 PolarHBondContact O-N 2.97Å; Q184-T188 PolarHBondContact O-OG1 3.28Å; A185-T188 PolarHBondContact O-N 3.27Å; Y186-T188 PolarHBondContact O-N 3.13Å; T188-L190 VanDerWaalsContact C-N 3.3Å; T188-L190 PolarHBondContact O-N 2.98Å; T188-H191 WeakPolarHBondContact O-CB 3.49Å; T188-H191 PolarHBondContact O-N 2.87Å; T188-H191 VanDerWaalsContact O-N 3.12Å; T188-Y192 HydrophobicContact CG2-CD2 4.24Å; T188-Y192 HydrophobicContact CG2-CE2 3.88Å; T188-Y192 VanDerWaalsContact O-CD2 3.3Å; T188-Y192 WeakPolarHBondContact O-CD2 3.49Å; T188-Y192 PolarHBondContact O-N 2.76Å
189	A	94.4	Very high	94.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57.1	-44.5	172.2	0	0	0	0	0	111.6	I163 I167 A185 Y186 H191 Y192 G193	I163-A189 HydrophobicContact CG2-CB 4.45Å; I167-A189 HydrophobicContact CG1-CB 4.04Å; A185-A189 PolarHBondContact O-N 3.48Å; Y186-A189 WeakPolarHBondContact O-CB 3.42Å; Y186-A189 PolarHBondContact O-N 3.3Å; A189-H191 VanDerWaalsContact C-N 3.3Å; A189-H191 PolarHBondContact O-N 3.14Å; A189-Y192 PolarHBondContact O-N 3.17Å; A189-G193 PolarHBondContact O-N 3.02Å
190	L	94.6	Very high	94.4	Very high	14 Å²	14	54 Å²	54	7%	0.073	27%	0.273	C	S	.	.	H	α-helix	trans	-72.1	-20.4	177.8	-68.2	169.1	0	0	0	113.6	Y186 V187 T188 G193 P194 L196 V199 R200 L203	Y186-L190 WeakPolarHBondContact O-CB 3.29Å; Y186-L190 VanDerWaalsContact O-CG 3.31Å; Y186-L190 WeakPolarHBondContact O-CG 3.47Å; Y186-L190 PolarHBondContact O-N 3.16Å; V187-L190 PolarHBondContact O-N 2.82Å; T188-L190 VanDerWaalsContact C-N 3.3Å; T188-L190 PolarHBondContact O-N 2.98Å; L190-G193 CarbonylContact O-C 3.32Å; L190-P194 WeakPolarHBondContact O-CA 3.46Å; L190-L196 HydrophobicContact CD2-CB 4.1Å; L190-V199 HydrophobicContact CD2-CB 4.27Å; L190-V199 HydrophobicContact CD2-CG1 4.29Å; L190-V199 HydrophobicContact CG-CG1 4.28Å; L190-R200 HydrophobicContact CD1-CB 4.04Å; L190-R200 HydrophobicContact CD1-CG 4.19Å; L190-R200 HydrophobicContact CD2-CB 3.94Å; L190-L203 HydrophobicContact CD1-CD2 3.83Å
191	H	95.1	Very high	94.4	Very high	144 Å²	144	49 Å²	49	67%	0.667	25%	0.249	S	C	*	.	H	α-helix	trans	-68.9	-42.7	172.3	179	66.9	0	0	0	111	V187 T188 A189	V187-H191 PolarHBondContact O-N 2.84Å; T188-H191 WeakPolarHBondContact O-CB 3.49Å; T188-H191 PolarHBondContact O-N 2.87Å; T188-H191 VanDerWaalsContact O-N 3.12Å; A189-H191 VanDerWaalsContact C-N 3.3Å; A189-H191 PolarHBondContact O-N 3.14Å
192	Y	93	Very high	94.4	Very high	97 Å²	97	48.4 Å²	48.4	38%	0.38	25%	0.249	S	C	.	.	H	α-helix	trans	-80.7	-31.7	176.8	-68.2	-69	0	0	0	113.2	P160 D161 Y166 T188 A189	P160-Y192 WeakPolarHBondContact O-CE2 3.33Å; P160-Y192 PolarHBondContact O-OH 2.82Å; D161-Y192 HydrophobicContact CB-CD1 3.88Å; D161-Y192 HydrophobicContact CB-CE1 3.77Å; D161-Y192 HydrophobicContact CB-CG 4.45Å; Y166-Y192 HydrophobicContact CE2-CD2 4.31Å; Y166-Y192 HydrophobicContact CE2-CE2 4.07Å; T188-Y192 HydrophobicContact CG2-CD2 4.24Å; T188-Y192 HydrophobicContact CG2-CE2 3.88Å; T188-Y192 VanDerWaalsContact O-CD2 3.3Å; T188-Y192 WeakPolarHBondContact O-CD2 3.49Å; T188-Y192 PolarHBondContact O-N 2.76Å; A189-Y192 PolarHBondContact O-N 3.17Å
193	G	91.5	Very high	94.4	Very high	10 Å²	10	48.8 Å²	48.8	10%	0.103	25%	0.251	C	S	.	.			trans	-127.1	80.1	177.7	0	0	0	0	0	112.1	A189 L190 D195 L196	A189-G193 PolarHBondContact O-N 3.02Å; L190-G193 CarbonylContact O-C 3.32Å; G193-D195 VanDerWaalsContact C-N 3.26Å; G193-D195 PolarHBondContact O-N 3.41Å; G193-L196 WeakPolarHBondContact O-CD1 3.5Å; G193-L196 WeakPolarHBondContact O-CG 3.39Å; G193-L196 PolarHBondContact O-N 2.9Å
194	P	90.5	Very high	94.4	Very high	71 Å²	71	48.2 Å²	48.2	46%	0.461	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.2	-173.4	24.1	-33.7	0	0	0	114.5	L190 L196 R200	L190-P194 WeakPolarHBondContact O-CA 3.46Å; P194-L196 VanDerWaalsContact C-N 3.35Å; P194-R200 PolarHBondContact O-NH1 3.01Å
195	D	91.1	Very high	94.3	Very high	118 Å²	118	44.7 Å²	44.7	63%	0.631	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	6.4	-176.3	-59.8	-35.7	0	0	0	113.9	G193 Y197 T226	G193-D195 VanDerWaalsContact C-N 3.26Å; G193-D195 PolarHBondContact O-N 3.41Å; D195-Y197 PolarHBondContact O-N 2.77Å; D195-T226 HydrophobicContact CB-CG2 4.2Å
196	L	93.1	Very high	94.3	Very high	59 Å²	59	44.9 Å²	44.9	31%	0.309	23%	0.232	S	C	.	.			trans	-75	71.2	178.4	-61.6	170.8	0	0	0	111.2	I163 I167 L190 G193 P194 C198 V199 R200	I163-L196 HydrophobicContact CG2-CD1 3.4Å; I167-L196 HydrophobicContact CD1-CD1 4.45Å; L190-L196 HydrophobicContact CD2-CB 4.1Å; G193-L196 WeakPolarHBondContact O-CD1 3.5Å; G193-L196 WeakPolarHBondContact O-CG 3.39Å; G193-L196 PolarHBondContact O-N 2.9Å; P194-L196 VanDerWaalsContact C-N 3.35Å; L196-C198 VanDerWaalsContact C-N 3.32Å; L196-C198 PolarHBondContact O-N 3.19Å; L196-V199 HydrophobicContact CB-CB 4.02Å; L196-V199 HydrophobicContact CB-CG2 3.94Å; L196-V199 HydrophobicContact CD1-CG2 4.48Å; L196-V199 WeakPolarHBondContact O-CB 3.28Å; L196-V199 PolarHBondContact O-N 3.42Å; L196-V199 VanDerWaalsContact O-N 3.13Å; L196-R200 PolarHBondContact O-N 3.03Å
197	Y	92.3	Very high	94.3	Very high	76 Å²	76	44.2 Å²	44.2	30%	0.298	23%	0.23	S	C	.	.	H	α-helix	trans	-59.3	-35.5	-173.7	64.7	-91.5	0	0	0	113.7	D195 R200 S201 T226 Q227 F230	D195-Y197 PolarHBondContact O-N 2.77Å; Y197-R200 PolarHBondContact O-N 2.93Å; Y197-S201 PolarHBondContact O-N 3.5Å; Y197-T226 HydrophobicContact CD1-CG2 4.25Å; Y197-Q227 HydrophobicContact CD1-CB 3.94Å; Y197-Q227 HydrophobicContact CD2-CB 3.9Å; Y197-Q227 HydrophobicContact CD2-CG 4.35Å; Y197-Q227 HydrophobicContact CE1-CB 4.17Å; Y197-Q227 HydrophobicContact CE1-CG 4.26Å; Y197-Q227 HydrophobicContact CE2-CB 4.14Å; Y197-Q227 HydrophobicContact CE2-CG 4.08Å; Y197-Q227 HydrophobicContact CG-CB 3.8Å; Y197-F230 HydrophobicContact CD2-CB 4.44Å; Y197-F230 AromaticContact CD2-CD1 3.92Å; Y197-F230 HydrophobicContact CD2-CD1 3.92Å; Y197-F230 HydrophobicContact CD2-CD2 4.34Å; Y197-F230 HydrophobicContact CD2-CE1 4.25Å; Y197-F230 AromaticContact CD2-CG 3.99Å; Y197-F230 HydrophobicContact CD2-CG 3.99Å; Y197-F230 HydrophobicContact CE2-CD1 4.42Å; Y197-F230 HydrophobicContact CE2-CD2 4.02Å; Y197-F230 HydrophobicContact CE2-CE2 4.34Å; Y197-F230 HydrophobicContact CE2-CG 4.08Å
198	C	93.5	Very high	94.2	Very high	57 Å²	57	43.7 Å²	43.7	39%	0.385	22%	0.222	S	C	.	.	H	α-helix	trans	-60.5	-49.7	174.1	-63.6	0	0	0	0	111.4	L196 R200 S201 D202	L196-C198 VanDerWaalsContact C-N 3.32Å; L196-C198 PolarHBondContact O-N 3.19Å; C198-R200 VanDerWaalsContact C-N 3.27Å; C198-R200 PolarHBondContact O-N 3.18Å; C198-S201 WeakPolarHBondContact O-CB 3.49Å; C198-S201 PolarHBondContact O-N 3.2Å; C198-D202 PolarHBondContact O-N 3.34Å
199	V	93.2	Very high	93.9	Very high	12 Å²	12	47.9 Å²	47.9	7%	0.073	25%	0.248	C	C	.	.	H	α-helix	trans	-61.3	-39.2	178.4	-179.2	0	0	0	0	110.8	I167 Y186 L190 L196 D202 L203	I167-V199 HydrophobicContact CD1-CG2 3.64Å; I167-V199 HydrophobicContact CG1-CG1 4.24Å; I167-V199 HydrophobicContact CG1-CG2 3.96Å; Y186-V199 HydrophobicContact CD1-CG1 3.45Å; Y186-V199 VanDerWaalsContact CD1-CG1 3.45Å; Y186-V199 HydrophobicContact CE1-CG1 3.93Å; Y186-V199 HydrophobicContact CG-CG1 4.42Å; L190-V199 HydrophobicContact CD2-CB 4.27Å; L190-V199 HydrophobicContact CD2-CG1 4.29Å; L190-V199 HydrophobicContact CG-CG1 4.28Å; L196-V199 HydrophobicContact CB-CB 4.02Å; L196-V199 HydrophobicContact CB-CG2 3.94Å; L196-V199 HydrophobicContact CD1-CG2 4.48Å; L196-V199 WeakPolarHBondContact O-CB 3.28Å; L196-V199 PolarHBondContact O-N 3.42Å; L196-V199 VanDerWaalsContact O-N 3.13Å; V199-D202 PolarHBondContact O-N 3.13Å; V199-L203 PolarHBondContact O-N 2.91Å
200	R	96.5	Very high	93.9	Very high	40 Å²	40	50.2 Å²	50.2	15%	0.151	26%	0.259	C	S	.	.	H	α-helix	trans	-64.6	-39.2	174.9	-170.9	178.4	-113.4	108	4	112.4	L190 P194 L196 Y197 C198 L203 G204 C219 K222 A223	L190-R200 HydrophobicContact CD1-CB 4.04Å; L190-R200 HydrophobicContact CD1-CG 4.19Å; L190-R200 HydrophobicContact CD2-CB 3.94Å; P194-R200 PolarHBondContact O-NH1 3.01Å; L196-R200 PolarHBondContact O-N 3.03Å; Y197-R200 PolarHBondContact O-N 2.93Å; C198-R200 VanDerWaalsContact C-N 3.27Å; C198-R200 PolarHBondContact O-N 3.18Å; R200-L203 WeakPolarHBondContact O-CB 2.96Å; R200-L203 PolarHBondContact O-N 3.46Å; R200-G204 PolarHBondContact O-N 2.9Å; R200-C219 WeakPolarHBondContact CD-O 3.19Å; R200-C219 HydrophobicContact CG-CB 4.17Å; R200-C219 WeakPolarHBondContact CG-O 3.35Å; R200-C219 WeakPolarHBondContact O-CB 3.2Å; R200-K222 VanDerWaalsContact CD-CB 3.42Å; R200-A223 HydrophobicContact CB-CB 4.39Å; R200-A223 HydrophobicContact CG-CB 4.47Å
201	S	95.3	Very high	93.7	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.014	28%	0.275	C	S	.	.	H	α-helix	trans	-67	-37.5	173.7	-176	0	0	0	0	112.2	Y197 C198 L203 G204 N205 Y220	Y197-S201 PolarHBondContact O-N 3.5Å; C198-S201 WeakPolarHBondContact O-CB 3.49Å; C198-S201 PolarHBondContact O-N 3.2Å; S201-L203 VanDerWaalsContact C-N 3.34Å; S201-G204 CarbonylContact O-C 3.12Å; S201-G204 WeakPolarHBondContact O-CA 3.37Å; S201-G204 PolarHBondContact O-N 3.03Å; S201-G204 VanDerWaalsContact O-N 3.1Å; S201-N205 PolarHBondContact O-N 2.83Å; S201-N205 PolarHBondContact O-ND2 2.74Å; S201-Y220 WeakPolarHBondContact O-CE1 3.41Å
202	D	93.8	Very high	93.7	Very high	72 Å²	72	47.7 Å²	47.7	39%	0.385	26%	0.255	S	S	.	.	H	α-helix	trans	-65.9	-37.5	175.3	-69.4	-26	0	0	0	112.2	Y186 C198 V199 G204 N205 L206	Y186-D202 HydrophobicContact CE1-CB 4.48Å; C198-D202 PolarHBondContact O-N 3.34Å; V199-D202 PolarHBondContact O-N 3.13Å; D202-G204 VanDerWaalsContact C-N 3.32Å; D202-N205 WeakPolarHBondContact O-CB 3.46Å; D202-N205 PolarHBondContact O-N 3.27Å; D202-L206 PolarHBondContact O-N 2.77Å
203	L	97	Very high	93.7	Very high	8 Å²	8	47.1 Å²	47.1	4%	0.042	25%	0.253	C	S	.	.	H	α-helix	trans	-59.6	-43.8	167.8	173.5	59.9	0	0	0	111.2	V183 Y186 V187 L190 V199 R200 S201 N205 L206 L207	V183-L203 HydrophobicContact CB-CD1 4.21Å; V183-L203 HydrophobicContact CG1-CD1 3.97Å; V183-L203 HydrophobicContact CG2-CD1 4.06Å; Y186-L203 HydrophobicContact CD2-CB 4.26Å; Y186-L203 HydrophobicContact CD2-CD1 4.36Å; Y186-L203 HydrophobicContact CG-CB 4.29Å; V187-L203 HydrophobicContact CG2-CD2 4.02Å; L190-L203 HydrophobicContact CD1-CD2 3.83Å; V199-L203 PolarHBondContact O-N 2.91Å; R200-L203 WeakPolarHBondContact O-CB 2.96Å; R200-L203 PolarHBondContact O-N 3.46Å; S201-L203 VanDerWaalsContact C-N 3.34Å; L203-N205 VanDerWaalsContact C-N 3.32Å; L203-N205 PolarHBondContact O-N 3.03Å; L203-L206 PolarHBondContact O-N 3.15Å; L203-L207 HydrophobicContact CD1-CD1 3.96Å; L203-L207 HydrophobicContact CD1-CG 4.1Å; L203-L207 HydrophobicContact CG-CD1 3.9Å; L203-L207 HydrophobicContact CG-CG 4.49Å; L203-L207 WeakPolarHBondContact O-CB 3.45Å; L203-L207 VanDerWaalsContact O-CG 3.28Å; L203-L207 WeakPolarHBondContact O-CG 3.24Å; L203-L207 PolarHBondContact O-N 3.41Å
204	G	96.5	Very high	93.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59	-41.3	173.9	0	0	0	0	0	112.9	R200 S201 D202 L207 K208 A216 Y220	R200-G204 PolarHBondContact O-N 2.9Å; S201-G204 CarbonylContact O-C 3.12Å; S201-G204 WeakPolarHBondContact O-CA 3.37Å; S201-G204 PolarHBondContact O-N 3.03Å; S201-G204 VanDerWaalsContact O-N 3.1Å; D202-G204 VanDerWaalsContact C-N 3.32Å; G204-L207 PolarHBondContact O-N 3.26Å; G204-K208 WeakPolarHBondContact O-CB 3.39Å; G204-K208 PolarHBondContact O-N 3.35Å; G204-A216 WeakPolarHBondContact O-CB 3.48Å; G204-Y220 PolarHBondContact O-OH 3.16Å
205	N	94.6	Very high	94	Very high	41 Å²	41	52.5 Å²	52.5	22%	0.219	27%	0.273	C	S	.	.	H	α-helix	trans	-62.1	-45.3	177.1	-75.1	-34.8	0	0	0	111.2	S201 D202 L203 K208 V209 Y220 N236	S201-N205 PolarHBondContact O-N 2.83Å; S201-N205 PolarHBondContact O-ND2 2.74Å; D202-N205 WeakPolarHBondContact O-CB 3.46Å; D202-N205 PolarHBondContact O-N 3.27Å; L203-N205 VanDerWaalsContact C-N 3.32Å; L203-N205 PolarHBondContact O-N 3.03Å; N205-K208 WeakPolarHBondContact O-CB 3.25Å; N205-K208 PolarHBondContact O-N 3.1Å; N205-V209 WeakPolarHBondContact O-CG2 3.46Å; N205-V209 PolarHBondContact O-N 3.2Å; N205-V209 VanDerWaalsContact O-N 3.1Å; N205-Y220 WeakPolarHBondContact CA-OH 3.41Å; N205-Y220 PolarHBondContact N-OH 3.44Å; N205-Y220 PolarHBondContact OD1-OH 3.19Å; N205-N236 VanDerWaalsContact OD1-CG 3.26Å; N205-N236 PolarHBondContact OD1-ND2 3.07Å; N205-N236 PolarHBondContact OD1-OD1 3.06Å
206	L	95	Very high	94.3	Very high	10 Å²	10	46.9 Å²	46.9	5%	0.052	24%	0.243	C	C	.	.	H	α-helix	trans	-61.1	-48.3	176	178.1	59.7	0	0	0	111.6	V174 L179 A182 V183 Y186 D202 L203 K208 V209 M210	V174-L206 HydrophobicContact CG2-CD1 3.98Å; V174-L206 HydrophobicContact CG2-CD2 4.02Å; L179-L206 HydrophobicContact CB-CD1 4.13Å; L179-L206 HydrophobicContact CD2-CD1 3.74Å; L179-L206 HydrophobicContact CG-CD1 4.37Å; A182-L206 HydrophobicContact CB-CD2 3.66Å; V183-L206 HydrophobicContact CG2-CD2 3.61Å; V183-L206 HydrophobicContact CG2-CG 4.08Å; Y186-L206 HydrophobicContact CD2-CD2 4.19Å; Y186-L206 HydrophobicContact CE2-CD2 4.27Å; D202-L206 PolarHBondContact O-N 2.77Å; L203-L206 PolarHBondContact O-N 3.15Å; L206-K208 VanDerWaalsContact C-N 3.3Å; L206-K208 PolarHBondContact O-N 3.25Å; L206-V209 PolarHBondContact O-N 2.94Å; L206-M210 HydrophobicContact CD1-SD 4.15Å; L206-M210 HydrophobicContact CG-SD 3.98Å; L206-M210 VanDerWaalsContact O-CG 3.3Å; L206-M210 WeakPolarHBondContact O-CG 3.25Å; L206-M210 PolarHBondContact O-N 2.99Å
207	L	96.7	Very high	94.4	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-61.6	-37.6	178.2	-70.5	166.1	0	0	0	112.2	V183 L203 G204 M210 G211 R212 E215 A216	V183-L207 HydrophobicContact CG2-CD2 4.1Å; L203-L207 HydrophobicContact CD1-CD1 3.96Å; L203-L207 HydrophobicContact CD1-CG 4.1Å; L203-L207 HydrophobicContact CG-CD1 3.9Å; L203-L207 HydrophobicContact CG-CG 4.49Å; L203-L207 WeakPolarHBondContact O-CB 3.45Å; L203-L207 VanDerWaalsContact O-CG 3.28Å; L203-L207 WeakPolarHBondContact O-CG 3.24Å; L203-L207 PolarHBondContact O-N 3.41Å; G204-L207 PolarHBondContact O-N 3.26Å; L207-M210 CarbonylContact O-C 3.46Å; L207-M210 PolarHBondContact O-N 3.3Å; L207-G211 PolarHBondContact O-N 3.4Å; L207-R212 HydrophobicContact CB-CB 4.29Å; L207-R212 HydrophobicContact CD2-CB 4.09Å; L207-R212 PolarHBondContact O-N 2.84Å; L207-E215 HydrophobicContact CD1-CB 3.87Å; L207-E215 HydrophobicContact CD2-CB 4.34Å; L207-A216 HydrophobicContact CB-CB 3.92Å
208	K	94.1	Very high	94.5	Very high	54 Å²	54	44.2 Å²	44.2	24%	0.235	24%	0.238	C	C	.	.	H	α-helix	trans	-60.9	-47	173.9	-178.6	-175.3	72.9	-173.7	0	111.4	G204 N205 L206 M210 G211 Y213 A216 N236 V240	G204-K208 WeakPolarHBondContact O-CB 3.39Å; G204-K208 PolarHBondContact O-N 3.35Å; N205-K208 WeakPolarHBondContact O-CB 3.25Å; N205-K208 PolarHBondContact O-N 3.1Å; L206-K208 VanDerWaalsContact C-N 3.3Å; L206-K208 PolarHBondContact O-N 3.25Å; K208-M210 PolarHBondContact O-N 3.16Å; K208-G211 PolarHBondContact O-N 3.42Å; K208-Y213 HydrophobicContact CG-CD1 4.5Å; K208-Y213 HydrophobicContact CG-CE1 4.26Å; K208-A216 HydrophobicContact CB-CB 4.21Å; K208-N236 PolarHBondContact NZ-OD1 3.09Å; K208-V240 HydrophobicContact CB-CG2 4.48Å; K208-V240 HydrophobicContact CD-CG2 3.94Å; K208-V240 HydrophobicContact CG-CG2 4.04Å
209	V	90.5	Very high	94.7	Very high	116 Å²	116	42.2 Å²	42.2	70%	0.703	22%	0.224	S	C	*	.	H	α-helix	trans	-62.3	-32	176.9	172.8	0	0	0	0	111.5	N205 L206 G211	N205-V209 WeakPolarHBondContact O-CG2 3.46Å; N205-V209 PolarHBondContact O-N 3.2Å; N205-V209 VanDerWaalsContact O-N 3.1Å; L206-V209 PolarHBondContact O-N 2.94Å; V209-G211 PolarHBondContact O-N 3.26Å
210	M	93.9	Very high	94.9	Very high	49 Å²	49	41.6 Å²	41.6	24%	0.241	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-0	174.9	-63	169.4	73.2	0	0	113.9	L179 E180 V183 L206 L207 K208 R212	L179-M210 HydrophobicContact CB-CE 4.01Å; L179-M210 HydrophobicContact CB-CG 4.19Å; L179-M210 HydrophobicContact CB-SD 3.76Å; L179-M210 HydrophobicContact CD1-CG 3.79Å; L179-M210 HydrophobicContact CD1-SD 4.47Å; E180-M210 VanDerWaalsContact CD-CE 3.42Å; E180-M210 HydrophobicContact CG-CE 3.92Å; E180-M210 WeakPolarHBondContact OE1-CE 3.36Å; V183-M210 HydrophobicContact CG2-CE 4.47Å; V183-M210 HydrophobicContact CG2-SD 3.92Å; L206-M210 HydrophobicContact CD1-SD 4.15Å; L206-M210 HydrophobicContact CG-SD 3.98Å; L206-M210 VanDerWaalsContact O-CG 3.3Å; L206-M210 WeakPolarHBondContact O-CG 3.25Å; L206-M210 PolarHBondContact O-N 2.99Å; L207-M210 CarbonylContact O-C 3.46Å; L207-M210 PolarHBondContact O-N 3.3Å; K208-M210 PolarHBondContact O-N 3.16Å; M210-R212 HydrophobicContact CB-CG 4.44Å; M210-R212 PolarHBondContact O-N 3.22Å
211	G	91.1	Very high	94.9	Very high	39 Å²	39	44 Å²	44	40%	0.402	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	6.7	-176.9	0	0	0	0	0	114.9	L207 K208 V209 Y213	L207-G211 PolarHBondContact O-N 3.4Å; K208-G211 PolarHBondContact O-N 3.42Å; V209-G211 PolarHBondContact O-N 3.26Å; G211-Y213 WeakPolarHBondContact O-CD2 3.19Å; G211-Y213 PolarHBondContact O-N 3.4Å
212	R	94.1	Very high	94.9	Very high	67 Å²	67	49.4 Å²	49.4	25%	0.253	26%	0.259	S	S	.	.			trans	-83.6	64.2	179.2	-67.8	169.3	67.2	176.8	-4.3	110.4	E180 L207 M210 D214 E215 A216	E180-R212 VanDerWaalsContact CD-NH1 3.34Å; E180-R212 IonicContact OE1-NH1 3.7Å; E180-R212 PolarHBondContact OE1-NH1 3.3Å; E180-R212 IonicContact OE2-NH1 3.86Å; E180-R212 PolarHBondContact OE2-NH1 2.84Å; L207-R212 HydrophobicContact CB-CB 4.29Å; L207-R212 HydrophobicContact CD2-CB 4.09Å; L207-R212 PolarHBondContact O-N 2.84Å; M210-R212 HydrophobicContact CB-CG 4.44Å; M210-R212 PolarHBondContact O-N 3.22Å; R212-D214 PolarHBondContact O-N 2.89Å; R212-E215 IonicContact CZ-OE1 3.8Å; R212-E215 VanDerWaalsContact CZ-OE1 3.22Å; R212-E215 IonicContact CZ-OE2 3.6Å; R212-E215 IonicContact NE-OE1 2.73Å; R212-E215 PolarHBondContact NE-OE1 3.07Å; R212-E215 IonicContact NE-OE2 3.52Å; R212-E215 IonicContact NH2-OE1 3.07Å; R212-E215 PolarHBondContact NH2-OE1 3.18Å; R212-E215 IonicContact NH2-OE2 2.6Å; R212-E215 PolarHBondContact NH2-OE2 3.09Å; R212-E215 PolarHBondContact O-N 3.38Å; R212-A216 WeakPolarHBondContact O-CB 3.33Å; R212-A216 PolarHBondContact O-N 3.41Å
213	Y	93.4	Very high	94.9	Very high	84 Å²	84	46 Å²	46	33%	0.329	24%	0.241	S	C	.	.	H	α-helix	trans	-61.1	-39.9	-169.8	-64.2	-53	0	0	0	114.3	K208 G211 E215 A216 K217 V240 A243 Q244	K208-Y213 HydrophobicContact CG-CD1 4.5Å; K208-Y213 HydrophobicContact CG-CE1 4.26Å; G211-Y213 WeakPolarHBondContact O-CD2 3.19Å; G211-Y213 PolarHBondContact O-N 3.4Å; Y213-E215 PolarHBondContact O-N 3.46Å; Y213-A216 PolarHBondContact O-N 3.08Å; Y213-K217 WeakPolarHBondContact O-CG 3.41Å; Y213-K217 PolarHBondContact O-N 3.19Å; Y213-V240 HydrophobicContact CD1-CG1 3.87Å; Y213-V240 HydrophobicContact CD1-CG2 4.44Å; Y213-V240 HydrophobicContact CG-CG1 4.12Å; Y213-A243 HydrophobicContact CE1-CB 4.18Å; Y213-Q244 HydrophobicContact CD2-CG 4.47Å
214	D	93.9	Very high	94.8	Very high	107 Å²	107	46.4 Å²	46.4	57%	0.572	24%	0.243	S	C	*	.	H	α-helix	trans	-66.9	-37.9	-178.8	-65.3	-40.7	0	0	0	112.6	R212 K217 A218	R212-D214 PolarHBondContact O-N 2.89Å; D214-K217 PolarHBondContact O-N 2.87Å; D214-K217 WeakPolarHBondContact OD1-CE 3Å; D214-K217 IonicContact OD1-NZ 3.93Å; D214-K217 PolarHBondContact OD1-NZ 2.99Å; D214-A218 PolarHBondContact O-N 3.42Å; D214-A218 VanDerWaalsContact O-N 3.07Å
215	E	94.9	Very high	94.8	Very high	88 Å²	88	52.9 Å²	52.9	41%	0.411	28%	0.278	S	S	.	.	H	α-helix	trans	-72.8	-37.3	175.5	-61.8	-178.2	-108.4	0	0	111.7	L207 R212 Y213 A218 C219	L207-E215 HydrophobicContact CD1-CB 3.87Å; L207-E215 HydrophobicContact CD2-CB 4.34Å; R212-E215 IonicContact CZ-OE1 3.8Å; R212-E215 VanDerWaalsContact CZ-OE1 3.22Å; R212-E215 IonicContact CZ-OE2 3.6Å; R212-E215 IonicContact NE-OE1 2.73Å; R212-E215 PolarHBondContact NE-OE1 3.07Å; R212-E215 IonicContact NE-OE2 3.52Å; R212-E215 IonicContact NH2-OE1 3.07Å; R212-E215 PolarHBondContact NH2-OE1 3.18Å; R212-E215 IonicContact NH2-OE2 2.6Å; R212-E215 PolarHBondContact NH2-OE2 3.09Å; R212-E215 PolarHBondContact O-N 3.38Å; Y213-E215 PolarHBondContact O-N 3.46Å; E215-A218 PolarHBondContact O-N 3.2Å; E215-C219 PolarHBondContact O-N 3.44Å; E215-C219 PolarHBondContact O-SG 3.04Å
216	A	96.7	Very high	94.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.4	-46.2	172.2	0	0	0	0	0	111.1	G204 L207 K208 R212 Y213 A218 C219 Y220 V240	G204-A216 WeakPolarHBondContact O-CB 3.48Å; L207-A216 HydrophobicContact CB-CB 3.92Å; K208-A216 HydrophobicContact CB-CB 4.21Å; R212-A216 WeakPolarHBondContact O-CB 3.33Å; R212-A216 PolarHBondContact O-N 3.41Å; Y213-A216 PolarHBondContact O-N 3.08Å; A216-A218 PolarHBondContact O-N 3.16Å; A216-C219 WeakPolarHBondContact O-CB 3.4Å; A216-C219 PolarHBondContact O-N 3.08Å; A216-C219 VanDerWaalsContact O-N 3.15Å; A216-Y220 HydrophobicContact CB-CE2 3.99Å; A216-Y220 WeakPolarHBondContact O-CD2 3.17Å; A216-Y220 PolarHBondContact O-N 3.16Å; A216-V240 HydrophobicContact CB-CG2 4.41Å
217	K	95.3	Very high	94.8	Very high	36 Å²	36	55.7 Å²	55.7	16%	0.157	29%	0.293	C	S	.	.	H	α-helix	trans	-57	-47.5	174.1	-74.1	-177.5	-64.9	-171.8	0	111.5	Y213 D214 C219 Y220 L221 L237 V240 F241	Y213-K217 WeakPolarHBondContact O-CG 3.41Å; Y213-K217 PolarHBondContact O-N 3.19Å; D214-K217 PolarHBondContact O-N 2.87Å; D214-K217 WeakPolarHBondContact OD1-CE 3Å; D214-K217 IonicContact OD1-NZ 3.93Å; D214-K217 PolarHBondContact OD1-NZ 2.99Å; K217-C219 PolarHBondContact O-N 3.28Å; K217-Y220 PolarHBondContact O-N 3.19Å; K217-L221 WeakPolarHBondContact O-CB 3.43Å; K217-L221 WeakPolarHBondContact O-CG 3.48Å; K217-L221 PolarHBondContact O-N 2.99Å; K217-L237 HydrophobicContact CB-CD1 4.08Å; K217-L237 HydrophobicContact CG-CD1 3.72Å; K217-V240 HydrophobicContact CD-CG1 4.07Å; K217-V240 HydrophobicContact CG-CB 4.29Å; K217-V240 HydrophobicContact CG-CG1 3.66Å; K217-F241 HydrophobicContact CD-CE1 4.02Å; K217-F241 HydrophobicContact CD-CZ 4.08Å
218	A	95.6	Very high	94.7	Very high	42 Å²	42	59.2 Å²	59.2	35%	0.347	32%	0.316	S	S	.	.	H	α-helix	trans	-60.3	-36	178.5	0	0	0	0	0	112.2	D214 E215 A216 K222	D214-A218 PolarHBondContact O-N 3.42Å; D214-A218 VanDerWaalsContact O-N 3.07Å; E215-A218 PolarHBondContact O-N 3.2Å; A216-A218 PolarHBondContact O-N 3.16Å; A218-K222 WeakPolarHBondContact O-CB 3.29Å; A218-K222 WeakPolarHBondContact O-CG 2.92Å; A218-K222 PolarHBondContact O-N 3.18Å
219	C	96.2	Very high	94.7	Very high	15 Å²	15	61.3 Å²	61.3	10%	0.101	33%	0.33	C	S	.	.	H	α-helix	trans	-67.6	-48.9	174.6	-67.8	0	0	0	0	112	R200 E215 A216 K217 K222 A223	R200-C219 WeakPolarHBondContact CD-O 3.19Å; R200-C219 HydrophobicContact CG-CB 4.17Å; R200-C219 WeakPolarHBondContact CG-O 3.35Å; R200-C219 WeakPolarHBondContact O-CB 3.2Å; E215-C219 PolarHBondContact O-N 3.44Å; E215-C219 PolarHBondContact O-SG 3.04Å; A216-C219 WeakPolarHBondContact O-CB 3.4Å; A216-C219 PolarHBondContact O-N 3.08Å; A216-C219 VanDerWaalsContact O-N 3.15Å; K217-C219 PolarHBondContact O-N 3.28Å; C219-K222 PolarHBondContact O-N 3.37Å; C219-A223 WeakPolarHBondContact O-CB 2.91Å; C219-A223 PolarHBondContact O-N 3.27Å
220	Y	97.2	Very high	94.9	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.9	-42.9	178.9	-59.1	-50.7	0	0	0	112.6	S201 G204 N205 A216 K217 K222 A223 I224 A233 N236 L237 V240	S201-Y220 WeakPolarHBondContact O-CE1 3.41Å; G204-Y220 PolarHBondContact O-OH 3.16Å; N205-Y220 WeakPolarHBondContact CA-OH 3.41Å; N205-Y220 PolarHBondContact N-OH 3.44Å; N205-Y220 PolarHBondContact OD1-OH 3.19Å; A216-Y220 HydrophobicContact CB-CE2 3.99Å; A216-Y220 WeakPolarHBondContact O-CD2 3.17Å; A216-Y220 PolarHBondContact O-N 3.16Å; K217-Y220 PolarHBondContact O-N 3.19Å; Y220-K222 VanDerWaalsContact C-N 3.34Å; Y220-K222 PolarHBondContact O-N 3.39Å; Y220-A223 WeakPolarHBondContact O-CB 3.06Å; Y220-A223 PolarHBondContact O-N 2.85Å; Y220-A223 VanDerWaalsContact O-N 3.15Å; Y220-I224 VanDerWaalsContact O-CG1 3.27Å; Y220-I224 WeakPolarHBondContact O-CG1 3.49Å; Y220-I224 PolarHBondContact O-N 3.31Å; Y220-A233 HydrophobicContact CD1-CB 4.5Å; Y220-N236 HydrophobicContact CD1-CB 4.04Å; Y220-N236 HydrophobicContact CD2-CB 4.4Å; Y220-N236 HydrophobicContact CE1-CB 3.55Å; Y220-N236 HydrophobicContact CE2-CB 3.98Å; Y220-N236 HydrophobicContact CG-CB 4.44Å; Y220-L237 HydrophobicContact CD2-CB 4.33Å; Y220-L237 HydrophobicContact CD2-CD1 4.4Å; Y220-L237 HydrophobicContact CG-CB 4.49Å; Y220-V240 HydrophobicContact CD2-CG2 4.43Å; Y220-V240 HydrophobicContact CE2-CG2 3.83Å
221	L	96.5	Very high	94.9	Very high	90 Å²	90	55.8 Å²	55.8	47%	0.471	30%	0.296	S	S	.	.	H	α-helix	trans	-60.4	-44.2	177.8	-75.2	170.9	0	0	0	111.6	K217 I224 D225 L237	K217-L221 WeakPolarHBondContact O-CB 3.43Å; K217-L221 WeakPolarHBondContact O-CG 3.48Å; K217-L221 PolarHBondContact O-N 2.99Å; L221-I224 PolarHBondContact O-N 2.91Å; L221-D225 WeakPolarHBondContact O-CB 3.32Å; L221-D225 PolarHBondContact O-N 3.13Å; L221-L237 HydrophobicContact CD2-CD2 3.71Å; L221-L237 HydrophobicContact CG-CD2 4.17Å
222	K	95	Very high	95.1	Very high	116 Å²	116	56.8 Å²	56.8	50%	0.504	30%	0.295	S	S	.	.	H	α-helix	trans	-66.5	-36.4	174.9	-75.7	175.6	-174.5	177	0	112.2	R200 A218 C219 Y220 I224 D225 T226	R200-K222 VanDerWaalsContact CD-CB 3.42Å; A218-K222 WeakPolarHBondContact O-CB 3.29Å; A218-K222 WeakPolarHBondContact O-CG 2.92Å; A218-K222 PolarHBondContact O-N 3.18Å; C219-K222 PolarHBondContact O-N 3.37Å; Y220-K222 VanDerWaalsContact C-N 3.34Å; Y220-K222 PolarHBondContact O-N 3.39Å; K222-I224 VanDerWaalsContact C-N 3.32Å; K222-D225 PolarHBondContact O-N 3.15Å; K222-T226 PolarHBondContact O-N 3.2Å; K222-T226 PolarHBondContact O-OG1 3.3Å; K222-T226 VanDerWaalsContact O-OG1 3.06Å
223	A	94.7	Very high	95.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.8	-38.1	174.4	0	0	0	0	0	111.9	R200 C219 Y220 Q227 A233	R200-A223 HydrophobicContact CB-CB 4.39Å; R200-A223 HydrophobicContact CG-CB 4.47Å; C219-A223 WeakPolarHBondContact O-CB 2.91Å; C219-A223 PolarHBondContact O-N 3.27Å; Y220-A223 WeakPolarHBondContact O-CB 3.06Å; Y220-A223 PolarHBondContact O-N 2.85Å; Y220-A223 VanDerWaalsContact O-N 3.15Å; A223-Q227 PolarHBondContact O-N 2.97Å; A223-A233 HydrophobicContact CB-CB 4.36Å
224	I	95.2	Very high	95.3	Very high	16 Å²	16	51.3 Å²	51.3	8%	0.082	27%	0.273	C	S	.	.	H	α-helix	trans	-67.2	-40.3	173.3	-68.8	164.1	0	0	0	110.9	Y220 L221 K222 T226 Q227 P228 A233 W234 L237	Y220-I224 VanDerWaalsContact O-CG1 3.27Å; Y220-I224 WeakPolarHBondContact O-CG1 3.49Å; Y220-I224 PolarHBondContact O-N 3.31Å; L221-I224 PolarHBondContact O-N 2.91Å; K222-I224 VanDerWaalsContact C-N 3.32Å; I224-T226 VanDerWaalsContact C-N 3.34Å; I224-Q227 CarbonylContact O-C 3.02Å; I224-Q227 PolarHBondContact O-N 3.1Å; I224-P228 WeakPolarHBondContact O-CA 3.31Å; I224-P228 WeakPolarHBondContact O-CD 3.3Å; I224-P228 WeakPolarHBondContact O-CG 3.5Å; I224-A233 HydrophobicContact CD1-CB 4.24Å; I224-A233 HydrophobicContact CG1-CB 3.75Å; I224-W234 HydrophobicContact CD1-CD2 3.83Å; I224-W234 HydrophobicContact CD1-CE3 4.31Å; I224-W234 HydrophobicContact CD1-CG 4Å; I224-W234 HydrophobicContact CD1-CZ2 4.45Å; I224-W234 HydrophobicContact CG1-CD2 4.38Å; I224-W234 HydrophobicContact CG1-CG 4.34Å; I224-W234 HydrophobicContact CG2-CH2 4.26Å; I224-W234 HydrophobicContact CG2-CZ2 3.41Å; I224-W234 VanDerWaalsContact CG2-CZ2 3.41Å; I224-L237 HydrophobicContact CD1-CD2 3.93Å
225	D	95.8	Very high	95.5	Very high	136 Å²	136	46.4 Å²	46.4	73%	0.727	25%	0.248	S	C	*	.	H	α-helix	trans	-61.8	-43.1	177	-169.4	52.9	0	0	0	111.4	L221 K222	L221-D225 WeakPolarHBondContact O-CB 3.32Å; L221-D225 PolarHBondContact O-N 3.13Å; K222-D225 PolarHBondContact O-N 3.15Å
226	T	94	Very high	95.5	Very high	48 Å²	48	43.3 Å²	43.3	29%	0.294	23%	0.234	S	C	.	.	H	α-helix	trans	-66.6	-42.6	173.3	-52.3	0	0	0	0	112.3	D195 Y197 K222 I224	D195-T226 HydrophobicContact CB-CG2 4.2Å; Y197-T226 HydrophobicContact CD1-CG2 4.25Å; K222-T226 PolarHBondContact O-N 3.2Å; K222-T226 PolarHBondContact O-OG1 3.3Å; K222-T226 VanDerWaalsContact O-OG1 3.06Å; I224-T226 VanDerWaalsContact C-N 3.34Å
227	Q	95.3	Very high	95.5	Very high	63 Å²	63	43.3 Å²	43.3	29%	0.294	23%	0.234	S	C	.	.			trans	-137.3	88.9	-177.8	-168.7	61.2	56.3	0	0	111.7	Y197 A223 I224 N229 F230	Y197-Q227 HydrophobicContact CD1-CB 3.94Å; Y197-Q227 HydrophobicContact CD2-CB 3.9Å; Y197-Q227 HydrophobicContact CD2-CG 4.35Å; Y197-Q227 HydrophobicContact CE1-CB 4.17Å; Y197-Q227 HydrophobicContact CE1-CG 4.26Å; Y197-Q227 HydrophobicContact CE2-CB 4.14Å; Y197-Q227 HydrophobicContact CE2-CG 4.08Å; Y197-Q227 HydrophobicContact CG-CB 3.8Å; A223-Q227 PolarHBondContact O-N 2.97Å; I224-Q227 CarbonylContact O-C 3.02Å; I224-Q227 PolarHBondContact O-N 3.1Å; Q227-N229 VanDerWaalsContact C-N 3.25Å; Q227-N229 VanDerWaalsContact CG-OD1 3.27Å; Q227-N229 WeakPolarHBondContact CG-OD1 3.41Å; Q227-N229 PolarHBondContact NE2-OD1 2.8Å; Q227-N229 PolarHBondContact O-N 2.95Å; Q227-N229 VanDerWaalsContact O-N 3.11Å; Q227-F230 HydrophobicContact CB-CB 4.19Å; Q227-F230 HydrophobicContact CG-CB 4.1Å; Q227-F230 VanDerWaalsContact O-CB 3.24Å; Q227-F230 WeakPolarHBondContact O-CB 3.49Å; Q227-F230 PolarHBondContact O-N 3.39Å
228	P	94.7	Very high	95.6	Very high	78 Å²	78	41.6 Å²	41.6	51%	0.506	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.7	-171.7	-28.9	36.2	0	0	0	116	I224 F230 W234	I224-P228 WeakPolarHBondContact O-CA 3.31Å; I224-P228 WeakPolarHBondContact O-CD 3.3Å; I224-P228 WeakPolarHBondContact O-CG 3.5Å; P228-F230 VanDerWaalsContact C-N 3.33Å; P228-W234 PolarHBondContact O-NE1 3Å
229	N	94.4	Very high	95.6	Very high	98 Å²	98	41 Å²	41	52%	0.524	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	6.7	178.4	70.6	-3.9	0	0	0	113.7	Q227 A231 L260	Q227-N229 VanDerWaalsContact C-N 3.25Å; Q227-N229 VanDerWaalsContact CG-OD1 3.27Å; Q227-N229 WeakPolarHBondContact CG-OD1 3.41Å; Q227-N229 PolarHBondContact NE2-OD1 2.8Å; Q227-N229 PolarHBondContact O-N 2.95Å; Q227-N229 VanDerWaalsContact O-N 3.11Å; N229-A231 PolarHBondContact O-N 3.44Å; N229-L260 HydrophobicContact CB-CD2 4.04Å
230	F	94.8	Very high	95.5	Very high	38 Å²	38	40.3 Å²	40.3	17%	0.167	22%	0.215	C	C	.	.			trans	-76.5	83.2	-179.1	-175.3	-132.5	0	0	0	111.7	Y197 Q227 P228 V232 A233	Y197-F230 HydrophobicContact CD2-CB 4.44Å; Y197-F230 AromaticContact CD2-CD1 3.92Å; Y197-F230 HydrophobicContact CD2-CD1 3.92Å; Y197-F230 HydrophobicContact CD2-CD2 4.34Å; Y197-F230 HydrophobicContact CD2-CE1 4.25Å; Y197-F230 AromaticContact CD2-CG 3.99Å; Y197-F230 HydrophobicContact CD2-CG 3.99Å; Y197-F230 HydrophobicContact CE2-CD1 4.42Å; Y197-F230 HydrophobicContact CE2-CD2 4.02Å; Y197-F230 HydrophobicContact CE2-CE2 4.34Å; Y197-F230 HydrophobicContact CE2-CG 4.08Å; Q227-F230 HydrophobicContact CB-CB 4.19Å; Q227-F230 HydrophobicContact CG-CB 4.1Å; Q227-F230 VanDerWaalsContact O-CB 3.24Å; Q227-F230 WeakPolarHBondContact O-CB 3.49Å; Q227-F230 PolarHBondContact O-N 3.39Å; P228-F230 VanDerWaalsContact C-N 3.33Å; F230-V232 HydrophobicContact CD2-CB 4.43Å; F230-V232 HydrophobicContact CE1-CB 4.28Å; F230-V232 HydrophobicContact CE2-CB 3.83Å; F230-V232 HydrophobicContact CE2-CG2 4.12Å; F230-V232 HydrophobicContact CZ-CB 3.74Å; F230-V232 HydrophobicContact CZ-CG1 4.19Å; F230-V232 HydrophobicContact CZ-CG2 4.43Å; F230-V232 PolarHBondContact O-N 3Å; F230-V232 VanDerWaalsContact O-N 3.12Å; F230-A233 HydrophobicContact CD1-CB 3.43Å; F230-A233 VanDerWaalsContact CD1-CB 3.43Å; F230-A233 HydrophobicContact CE1-CB 3.79Å; F230-A233 HydrophobicContact CG-CB 4.39Å; F230-A233 PolarHBondContact O-N 3.49Å; F230-A233 VanDerWaalsContact O-N 3.12Å
231	A	94.6	Very high	95.5	Very high	10 Å²	10	41.5 Å²	41.5	8%	0.083	22%	0.22	C	C	.	.	H	α-helix	trans	-52.8	-35	-173.3	0	0	0	0	0	114.3	N229 A233 W234 S235 L260 D261 F264	N229-A231 PolarHBondContact O-N 3.44Å; A231-A233 PolarHBondContact O-N 2.92Å; A231-W234 WeakPolarHBondContact O-CB 3.41Å; A231-W234 PolarHBondContact O-N 3.33Å; A231-S235 PolarHBondContact O-N 3.4Å; A231-L260 HydrophobicContact CB-CB 3.88Å; A231-D261 HydrophobicContact CB-CB 3.81Å; A231-F264 HydrophobicContact CB-CD1 4.15Å; A231-F264 HydrophobicContact CB-CE1 4.38Å
232	V	94.6	Very high	95.3	Very high	60 Å²	60	39.8 Å²	39.8	36%	0.364	21%	0.211	S	C	.	.	H	α-helix	trans	-60.5	-42.5	179.8	177.1	0	0	0	0	111.9	F230 S235 N236 F264	F230-V232 HydrophobicContact CD2-CB 4.43Å; F230-V232 HydrophobicContact CE1-CB 4.28Å; F230-V232 HydrophobicContact CE2-CB 3.83Å; F230-V232 HydrophobicContact CE2-CG2 4.12Å; F230-V232 HydrophobicContact CZ-CB 3.74Å; F230-V232 HydrophobicContact CZ-CG1 4.19Å; F230-V232 HydrophobicContact CZ-CG2 4.43Å; F230-V232 PolarHBondContact O-N 3Å; F230-V232 VanDerWaalsContact O-N 3.12Å; V232-S235 PolarHBondContact O-N 3.22Å; V232-N236 WeakPolarHBondContact O-CB 3.49Å; V232-N236 PolarHBondContact O-N 2.74Å; V232-N236 PolarHBondContact O-ND2 2.82Å; V232-F264 HydrophobicContact CG2-CE1 4.46Å; V232-F264 HydrophobicContact CG2-CZ 4.3Å
233	A	94.5	Very high	95.2	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-67.2	-36.8	177.6	0	0	0	0	0	112.1	Y220 A223 I224 F230 A231 L237	Y220-A233 HydrophobicContact CD1-CB 4.5Å; A223-A233 HydrophobicContact CB-CB 4.36Å; I224-A233 HydrophobicContact CD1-CB 4.24Å; I224-A233 HydrophobicContact CG1-CB 3.75Å; F230-A233 HydrophobicContact CD1-CB 3.43Å; F230-A233 VanDerWaalsContact CD1-CB 3.43Å; F230-A233 HydrophobicContact CE1-CB 3.79Å; F230-A233 HydrophobicContact CG-CB 4.39Å; F230-A233 PolarHBondContact O-N 3.49Å; F230-A233 VanDerWaalsContact O-N 3.12Å; A231-A233 PolarHBondContact O-N 2.92Å; A233-L237 WeakPolarHBondContact O-CB 3.49Å; A233-L237 PolarHBondContact O-N 3.36Å
234	W	97.5	Very high	95	Very high	36 Å²	36	40.3 Å²	40.3	14%	0.136	23%	0.225	C	C	.	.	H	α-helix	trans	-61.9	-47.5	173.7	-73.2	95.1	0	0	0	111.9	I224 P228 A231 L237 G238 H253 K256 A257 L260	I224-W234 HydrophobicContact CD1-CD2 3.83Å; I224-W234 HydrophobicContact CD1-CE3 4.31Å; I224-W234 HydrophobicContact CD1-CG 4Å; I224-W234 HydrophobicContact CD1-CZ2 4.45Å; I224-W234 HydrophobicContact CG1-CD2 4.38Å; I224-W234 HydrophobicContact CG1-CG 4.34Å; I224-W234 HydrophobicContact CG2-CH2 4.26Å; I224-W234 HydrophobicContact CG2-CZ2 3.41Å; I224-W234 VanDerWaalsContact CG2-CZ2 3.41Å; P228-W234 PolarHBondContact O-NE1 3Å; A231-W234 WeakPolarHBondContact O-CB 3.41Å; A231-W234 PolarHBondContact O-N 3.33Å; W234-L237 PolarHBondContact O-N 3.14Å; W234-G238 PolarHBondContact O-N 3.4Å; W234-H253 HydrophobicContact CE3-CB 4.46Å; W234-H253 AromaticContact CE3-ND1 3.25Å; W234-H253 AromaticContact CZ3-CE1 3.77Å; W234-H253 AromaticContact CZ3-ND1 3.26Å; W234-H253 VanDerWaalsContact CZ3-ND1 3.26Å; W234-H253 WeakPolarHBondContact CZ3-ND1 3.19Å; W234-K256 HydrophobicContact CD2-CB 3.97Å; W234-K256 HydrophobicContact CD2-CG 3.49Å; W234-K256 VanDerWaalsContact CD2-CG 3.49Å; W234-K256 HydrophobicContact CE3-CB 3.58Å; W234-K256 HydrophobicContact CE3-CG 3.47Å; W234-K256 VanDerWaalsContact CE3-CG 3.47Å; W234-K256 HydrophobicContact CG-CB 4.47Å; W234-K256 HydrophobicContact CG-CG 4.12Å; W234-K256 HydrophobicContact CH2-CG 3.91Å; W234-K256 HydrophobicContact CZ2-CG 3.91Å; W234-K256 HydrophobicContact CZ3-CB 3.98Å; W234-K256 HydrophobicContact CZ3-CG 3.69Å; W234-A257 HydrophobicContact CB-CB 3.91Å; W234-L260 VanDerWaalsContact CD1-CD1 3.41Å; W234-L260 HydrophobicContact CG-CD1 4.15Å
235	S	97.1	Very high	94.8	Very high	5 Å²	5	42 Å²	42	4%	0.035	25%	0.247	C	C	.	.	H	α-helix	trans	-62.6	-46.6	177.7	-178.2	0	0	0	0	111.6	A231 V232 L237 G238 C239 F254	A231-S235 PolarHBondContact O-N 3.4Å; V232-S235 PolarHBondContact O-N 3.22Å; S235-L237 VanDerWaalsContact C-N 3.3Å; S235-L237 PolarHBondContact O-N 2.83Å; S235-G238 WeakPolarHBondContact O-CA 3.48Å; S235-G238 PolarHBondContact O-N 2.62Å; S235-G238 VanDerWaalsContact O-N 3.1Å; S235-C239 PolarHBondContact O-N 3.4Å; S235-C239 PolarHBondContact O-SG 3.38Å; S235-F254 WeakPolarHBondContact O-CE1 3.35Å
236	N	96.2	Very high	94.6	Very high	22 Å²	22	40.3 Å²	40.3	12%	0.118	24%	0.235	C	C	.	.	H	α-helix	trans	-62.6	-37	177.6	-80	-38.9	0	0	0	113	N205 K208 Y220 V232 C239 V240	N205-N236 VanDerWaalsContact OD1-CG 3.26Å; N205-N236 PolarHBondContact OD1-ND2 3.07Å; N205-N236 PolarHBondContact OD1-OD1 3.06Å; K208-N236 PolarHBondContact NZ-OD1 3.09Å; Y220-N236 HydrophobicContact CD1-CB 4.04Å; Y220-N236 HydrophobicContact CD2-CB 4.4Å; Y220-N236 HydrophobicContact CE1-CB 3.55Å; Y220-N236 HydrophobicContact CE2-CB 3.98Å; Y220-N236 HydrophobicContact CG-CB 4.44Å; V232-N236 WeakPolarHBondContact O-CB 3.49Å; V232-N236 PolarHBondContact O-N 2.74Å; V232-N236 PolarHBondContact O-ND2 2.82Å; N236-C239 WeakPolarHBondContact O-CB 3.44Å; N236-C239 PolarHBondContact O-N 3.1Å; N236-V240 PolarHBondContact O-N 3.24Å; N236-V240 VanDerWaalsContact O-N 3.16Å
237	L	96.4	Very high	94.5	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.9	-42.2	173.2	-177.2	58.8	0	0	0	111.3	K217 Y220 L221 I224 A233 W234 S235 C239 V240 F241	K217-L237 HydrophobicContact CB-CD1 4.08Å; K217-L237 HydrophobicContact CG-CD1 3.72Å; Y220-L237 HydrophobicContact CD2-CB 4.33Å; Y220-L237 HydrophobicContact CD2-CD1 4.4Å; Y220-L237 HydrophobicContact CG-CB 4.49Å; L221-L237 HydrophobicContact CD2-CD2 3.71Å; L221-L237 HydrophobicContact CG-CD2 4.17Å; I224-L237 HydrophobicContact CD1-CD2 3.93Å; A233-L237 WeakPolarHBondContact O-CB 3.49Å; A233-L237 PolarHBondContact O-N 3.36Å; W234-L237 PolarHBondContact O-N 3.14Å; S235-L237 VanDerWaalsContact C-N 3.3Å; S235-L237 PolarHBondContact O-N 2.83Å; L237-C239 VanDerWaalsContact C-N 3.33Å; L237-C239 PolarHBondContact O-N 3.06Å; L237-V240 PolarHBondContact O-N 2.97Å; L237-V240 VanDerWaalsContact O-N 3.14Å; L237-F241 HydrophobicContact CD1-CD2 4.02Å; L237-F241 HydrophobicContact CD1-CE2 3.56Å; L237-F241 HydrophobicContact CD1-CZ 4.36Å; L237-F241 HydrophobicContact CD2-CE2 4.13Å; L237-F241 HydrophobicContact CG-CD2 3.9Å; L237-F241 HydrophobicContact CG-CE2 3.6Å; L237-F241 VanDerWaalsContact O-CD2 3.29Å; L237-F241 WeakPolarHBondContact O-CD2 3.29Å; L237-F241 PolarHBondContact O-N 2.71Å
238	G	96.4	Very high	94.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57.1	-42.8	172	0	0	0	0	0	112.9	W234 S235 V240 F241 N242 A250	W234-G238 PolarHBondContact O-N 3.4Å; S235-G238 WeakPolarHBondContact O-CA 3.48Å; S235-G238 PolarHBondContact O-N 2.62Å; S235-G238 VanDerWaalsContact O-N 3.1Å; G238-V240 VanDerWaalsContact C-N 3.31Å; G238-V240 PolarHBondContact O-N 2.98Å; G238-F241 PolarHBondContact O-N 3.27Å; G238-N242 WeakPolarHBondContact O-CB 3.48Å; G238-N242 PolarHBondContact O-N 2.89Å; G238-A250 WeakPolarHBondContact O-CB 3.3Å
239	C	95.9	Very high	94.5	Very high	30 Å²	30	45.1 Å²	45.1	20%	0.203	24%	0.243	C	C	.	.	H	α-helix	trans	-60.6	-38.5	174.9	-66.2	0	0	0	0	112.6	S235 N236 L237 N242 A243 F254	S235-C239 PolarHBondContact O-N 3.4Å; S235-C239 PolarHBondContact O-SG 3.38Å; N236-C239 WeakPolarHBondContact O-CB 3.44Å; N236-C239 PolarHBondContact O-N 3.1Å; L237-C239 VanDerWaalsContact C-N 3.33Å; L237-C239 PolarHBondContact O-N 3.06Å; C239-N242 PolarHBondContact O-N 3.36Å; C239-A243 WeakPolarHBondContact O-CB 3.49Å; C239-A243 PolarHBondContact O-N 3.34Å; C239-F254 HydrophobicContact CB-CZ 4.4Å; C239-F254 VanDerWaalsContact N-CZ 3.31Å
240	V	95.4	Very high	94.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-69.2	-44.7	177.4	178	0	0	0	0	111.3	K208 Y213 A216 K217 Y220 N236 L237 G238 N242 A243 Q244	K208-V240 HydrophobicContact CB-CG2 4.48Å; K208-V240 HydrophobicContact CD-CG2 3.94Å; K208-V240 HydrophobicContact CG-CG2 4.04Å; Y213-V240 HydrophobicContact CD1-CG1 3.87Å; Y213-V240 HydrophobicContact CD1-CG2 4.44Å; Y213-V240 HydrophobicContact CG-CG1 4.12Å; A216-V240 HydrophobicContact CB-CG2 4.41Å; K217-V240 HydrophobicContact CD-CG1 4.07Å; K217-V240 HydrophobicContact CG-CB 4.29Å; K217-V240 HydrophobicContact CG-CG1 3.66Å; Y220-V240 HydrophobicContact CD2-CG2 4.43Å; Y220-V240 HydrophobicContact CE2-CG2 3.83Å; N236-V240 PolarHBondContact O-N 3.24Å; N236-V240 VanDerWaalsContact O-N 3.16Å; L237-V240 PolarHBondContact O-N 2.97Å; L237-V240 VanDerWaalsContact O-N 3.14Å; G238-V240 VanDerWaalsContact C-N 3.31Å; G238-V240 PolarHBondContact O-N 2.98Å; V240-N242 VanDerWaalsContact C-N 3.27Å; V240-N242 PolarHBondContact O-N 2.91Å; V240-A243 PolarHBondContact O-N 3.32Å; V240-Q244 WeakPolarHBondContact O-CG 3.4Å; V240-Q244 PolarHBondContact O-N 3.33Å
241	F	95.6	Very high	94.7	Very high	26 Å²	26	38.9 Å²	38.9	11%	0.114	21%	0.211	C	C	.	.	H	α-helix	trans	-60.6	-39.4	175.2	-79.1	-62.3	0	0	0	111.9	K217 L237 G238 Q244 G245 E246 L249 A250 H253	K217-F241 HydrophobicContact CD-CE1 4.02Å; K217-F241 HydrophobicContact CD-CZ 4.08Å; L237-F241 HydrophobicContact CD1-CD2 4.02Å; L237-F241 HydrophobicContact CD1-CE2 3.56Å; L237-F241 HydrophobicContact CD1-CZ 4.36Å; L237-F241 HydrophobicContact CD2-CE2 4.13Å; L237-F241 HydrophobicContact CG-CD2 3.9Å; L237-F241 HydrophobicContact CG-CE2 3.6Å; L237-F241 VanDerWaalsContact O-CD2 3.29Å; L237-F241 WeakPolarHBondContact O-CD2 3.29Å; L237-F241 PolarHBondContact O-N 2.71Å; G238-F241 PolarHBondContact O-N 3.27Å; F241-Q244 CarbonylContact O-C 3.43Å; F241-Q244 PolarHBondContact O-N 2.94Å; F241-Q244 VanDerWaalsContact O-N 3.15Å; F241-G245 PolarHBondContact O-N 3.33Å; F241-E246 HydrophobicContact CB-CB 4.1Å; F241-E246 HydrophobicContact CD1-CB 3.85Å; F241-E246 HydrophobicContact CD1-CG 4.18Å; F241-E246 HydrophobicContact CG-CB 4.43Å; F241-E246 WeakPolarHBondContact O-CB 3.23Å; F241-E246 PolarHBondContact O-N 2.71Å; F241-L249 HydrophobicContact CB-CB 4.14Å; F241-L249 HydrophobicContact CD1-CB 3.88Å; F241-L249 HydrophobicContact CD1-CD1 3.81Å; F241-L249 HydrophobicContact CD2-CB 4.16Å; F241-L249 HydrophobicContact CE1-CB 4.3Å; F241-L249 HydrophobicContact CE1-CD1 3.61Å; F241-L249 HydrophobicContact CG-CB 3.8Å; F241-L249 HydrophobicContact CZ-CD1 4.2Å; F241-A250 HydrophobicContact CB-CB 4.08Å; F241-H253 AromaticContact CD2-CD2 3.3Å; F241-H253 WeakPolarHBondContact CD2-CD2 3.43Å; F241-H253 AromaticContact CD2-NE2 3.71Å; F241-H253 AromaticContact CE2-CD2 3.36Å; F241-H253 WeakPolarHBondContact CE2-CD2 3.47Å; F241-H253 AromaticContact CE2-NE2 3.21Å; F241-H253 WeakPolarHBondContact CE2-NE2 3.35Å
242	N	94.2	Very high	94.8	Very high	53 Å²	53	43.2 Å²	43.2	28%	0.283	23%	0.229	S	C	.	.	H	α-helix	trans	-62	-46.1	175	-165.7	44.7	0	0	0	111.8	G238 C239 V240 Q244 G245 A250 V274	G238-N242 WeakPolarHBondContact O-CB 3.48Å; G238-N242 PolarHBondContact O-N 2.89Å; C239-N242 PolarHBondContact O-N 3.36Å; V240-N242 VanDerWaalsContact C-N 3.27Å; V240-N242 PolarHBondContact O-N 2.91Å; N242-Q244 PolarHBondContact O-N 3.45Å; N242-G245 PolarHBondContact O-N 3.4Å; N242-A250 HydrophobicContact CB-CB 3.88Å; N242-V274 HydrophobicContact CB-CG2 4.23Å; N242-V274 WeakPolarHBondContact OD1-CG2 3.35Å
243	A	91.2	Very high	94.9	Very high	58 Å²	58	41.2 Å²	41.2	48%	0.479	22%	0.216	S	C	.	.	H	α-helix	trans	-62.4	-22.5	176.5	0	0	0	0	0	113.6	Y213 C239 V240	Y213-A243 HydrophobicContact CE1-CB 4.18Å; C239-A243 WeakPolarHBondContact O-CB 3.49Å; C239-A243 PolarHBondContact O-N 3.34Å; V240-A243 PolarHBondContact O-N 3.32Å
244	Q	91.4	Very high	95.1	Very high	69 Å²	69	41.3 Å²	41.3	32%	0.322	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-0	174.4	-66.9	-172.9	-53.1	0	0	113.5	Y213 V240 F241 N242 E246	Y213-Q244 HydrophobicContact CD2-CG 4.47Å; V240-Q244 WeakPolarHBondContact O-CG 3.4Å; V240-Q244 PolarHBondContact O-N 3.33Å; F241-Q244 CarbonylContact O-C 3.43Å; F241-Q244 PolarHBondContact O-N 2.94Å; F241-Q244 VanDerWaalsContact O-N 3.15Å; N242-Q244 PolarHBondContact O-N 3.45Å; Q244-E246 VanDerWaalsContact C-N 3.3Å; Q244-E246 HydrophobicContact CB-CG 4.41Å
245	G	89.9	Confident	95.1	Very high	53 Å²	53	43.2 Å²	43.2	55%	0.546	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	7.8	-177.5	0	0	0	0	0	114.6	F241 N242 I247	F241-G245 PolarHBondContact O-N 3.33Å; N242-G245 PolarHBondContact O-N 3.4Å; G245-I247 VanDerWaalsContact C-N 3.25Å; G245-I247 PolarHBondContact O-N 3.38Å
246	E	93.2	Very high	95.1	Very high	100 Å²	100	46 Å²	46	47%	0.467	24%	0.238	S	C	.	.			trans	-84.4	64.7	179.9	-65.6	-67.1	168.8	0	0	110.8	F241 Q244 W248 L249 A250	F241-E246 HydrophobicContact CB-CB 4.1Å; F241-E246 HydrophobicContact CD1-CB 3.85Å; F241-E246 HydrophobicContact CD1-CG 4.18Å; F241-E246 HydrophobicContact CG-CB 4.43Å; F241-E246 WeakPolarHBondContact O-CB 3.23Å; F241-E246 PolarHBondContact O-N 2.71Å; Q244-E246 VanDerWaalsContact C-N 3.3Å; Q244-E246 HydrophobicContact CB-CG 4.41Å; E246-W248 VanDerWaalsContact C-N 3.32Å; E246-W248 PolarHBondContact O-N 2.87Å; E246-L249 HydrophobicContact CB-CB 4.23Å; E246-L249 HydrophobicContact CB-CD1 4.17Å; E246-L249 HydrophobicContact CG-CD1 4.44Å; E246-L249 PolarHBondContact O-N 3.16Å; E246-L249 VanDerWaalsContact O-N 3.15Å; E246-A250 PolarHBondContact O-N 3.5Å
247	I	91.8	Very high	95.1	Very high	41 Å²	41	44.9 Å²	44.9	21%	0.21	23%	0.232	C	C	.	.	H	α-helix	trans	-51.9	-45.7	-171.3	-66.2	176	0	0	0	112.3	G245 A250 I251 V274 E277 A278	G245-I247 VanDerWaalsContact C-N 3.25Å; G245-I247 PolarHBondContact O-N 3.38Å; I247-A250 WeakPolarHBondContact O-CB 3.47Å; I247-A250 PolarHBondContact O-N 3.38Å; I247-I251 HydrophobicContact CG2-CD1 4.06Å; I247-I251 WeakPolarHBondContact O-CG1 3.39Å; I247-I251 PolarHBondContact O-N 3.42Å; I247-V274 HydrophobicContact CB-CG1 4.34Å; I247-V274 HydrophobicContact CG2-CG1 3.64Å; I247-E277 HydrophobicContact CD1-CG 4.18Å; I247-A278 HydrophobicContact CG2-CB 3.87Å
248	W	94	Very high	95.1	Very high	178 Å²	178	45.6 Å²	45.6	67%	0.674	24%	0.237	S	C	*	.	H	α-helix	trans	-68.8	-37.6	-176.8	-63.1	110	0	0	0	113	E246 I251 H252 I280	E246-W248 VanDerWaalsContact C-N 3.32Å; E246-W248 PolarHBondContact O-N 2.87Å; W248-I251 HydrophobicContact CE3-CD1 4.04Å; W248-I251 HydrophobicContact CZ3-CD1 4.28Å; W248-H252 PolarHBondContact O-N 3.15Å; W248-H252 VanDerWaalsContact O-N 3.09Å; W248-I280 HydrophobicContact CH2-CD1 3.81Å; W248-I280 HydrophobicContact CZ3-CD1 3.75Å
249	L	94.7	Very high	95.1	Very high	71 Å²	71	52 Å²	52	37%	0.372	27%	0.266	S	S	.	.	H	α-helix	trans	-69	-40.2	174.3	-69.1	173.8	0	0	0	110.5	F241 E246 I251 H252 H253	F241-L249 HydrophobicContact CB-CB 4.14Å; F241-L249 HydrophobicContact CD1-CB 3.88Å; F241-L249 HydrophobicContact CD1-CD1 3.81Å; F241-L249 HydrophobicContact CD2-CB 4.16Å; F241-L249 HydrophobicContact CE1-CB 4.3Å; F241-L249 HydrophobicContact CE1-CD1 3.61Å; F241-L249 HydrophobicContact CG-CB 3.8Å; F241-L249 HydrophobicContact CZ-CD1 4.2Å; E246-L249 HydrophobicContact CB-CB 4.23Å; E246-L249 HydrophobicContact CB-CD1 4.17Å; E246-L249 HydrophobicContact CG-CD1 4.44Å; E246-L249 PolarHBondContact O-N 3.16Å; E246-L249 VanDerWaalsContact O-N 3.15Å; L249-I251 PolarHBondContact O-N 3.48Å; L249-H252 PolarHBondContact O-N 3.38Å; L249-H253 PolarHBondContact O-CD2 3.1Å; L249-H253 PolarHBondContact O-N 3.34Å
250	A	97.3	Very high	95.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-57.7	-48	174.3	0	0	0	0	0	111.8	G238 F241 N242 E246 I247 H252 H253 F254 V274	G238-A250 WeakPolarHBondContact O-CB 3.3Å; F241-A250 HydrophobicContact CB-CB 4.08Å; N242-A250 HydrophobicContact CB-CB 3.88Å; E246-A250 PolarHBondContact O-N 3.5Å; I247-A250 WeakPolarHBondContact O-CB 3.47Å; I247-A250 PolarHBondContact O-N 3.38Å; A250-H252 PolarHBondContact O-N 3.18Å; A250-H253 PolarHBondContact O-N 3.38Å; A250-F254 HydrophobicContact CB-CD2 4.45Å; A250-F254 HydrophobicContact CB-CE2 4.19Å; A250-F254 WeakPolarHBondContact O-CD2 3.39Å; A250-F254 WeakPolarHBondContact O-CG 3.47Å; A250-F254 PolarHBondContact O-N 2.69Å; A250-V274 HydrophobicContact CB-CG1 4.15Å; A250-V274 HydrophobicContact CB-CG2 4.4Å
251	I	96.8	Very high	95.2	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.026	29%	0.287	C	S	.	.	H	α-helix	trans	-55.6	-52	174.8	-68.2	165	0	0	0	110.4	I247 W248 L249 H253 F254 E255 L271 V274 L275 A278	I247-I251 HydrophobicContact CG2-CD1 4.06Å; I247-I251 WeakPolarHBondContact O-CG1 3.39Å; I247-I251 PolarHBondContact O-N 3.42Å; W248-I251 HydrophobicContact CE3-CD1 4.04Å; W248-I251 HydrophobicContact CZ3-CD1 4.28Å; L249-I251 PolarHBondContact O-N 3.48Å; I251-H253 VanDerWaalsContact C-N 3.32Å; I251-H253 PolarHBondContact O-N 2.71Å; I251-F254 PolarHBondContact O-N 3.43Å; I251-E255 HydrophobicContact CG2-CG 4.21Å; I251-E255 WeakPolarHBondContact O-CB 3.5Å; I251-E255 WeakPolarHBondContact O-CG 3.35Å; I251-E255 PolarHBondContact O-N 3.37Å; I251-L271 HydrophobicContact CG2-CD1 4.11Å; I251-V274 HydrophobicContact CD1-CG1 4.16Å; I251-V274 HydrophobicContact CG1-CB 4.29Å; I251-V274 HydrophobicContact CG1-CG1 3.61Å; I251-L275 HydrophobicContact CD1-CD2 3.9Å; I251-L275 HydrophobicContact CG1-CD2 4.17Å; I251-L275 HydrophobicContact CG1-CG 4.47Å; I251-L275 HydrophobicContact CG2-CD2 4.23Å; I251-A278 HydrophobicContact CD1-CB 4.32Å
252	H	96.5	Very high	95.1	Very high	100 Å²	100	58.1 Å²	58.1	46%	0.463	30%	0.302	S	S	.	.	H	α-helix	trans	-55.1	-46.5	-178.9	174.8	72.7	0	0	0	112.6	W248 L249 A250 E255 K256	W248-H252 PolarHBondContact O-N 3.15Å; W248-H252 VanDerWaalsContact O-N 3.09Å; L249-H252 PolarHBondContact O-N 3.38Å; A250-H252 PolarHBondContact O-N 3.18Å; H252-E255 PolarHBondContact O-N 3.21Å; H252-K256 PolarHBondContact O-N 2.82Å
253	H	97.1	Very high	95.2	Very high	19 Å²	19	60.8 Å²	60.8	9%	0.088	32%	0.316	C	S	.	.	H	α-helix	trans	-72.1	-36.3	-178.2	-70.9	-61.9	0	0	0	112.9	W234 F241 L249 A250 I251 K256 A257	W234-H253 HydrophobicContact CE3-CB 4.46Å; W234-H253 AromaticContact CE3-ND1 3.25Å; W234-H253 AromaticContact CZ3-CE1 3.77Å; W234-H253 AromaticContact CZ3-ND1 3.26Å; W234-H253 VanDerWaalsContact CZ3-ND1 3.26Å; W234-H253 WeakPolarHBondContact CZ3-ND1 3.19Å; F241-H253 AromaticContact CD2-CD2 3.3Å; F241-H253 WeakPolarHBondContact CD2-CD2 3.43Å; F241-H253 AromaticContact CD2-NE2 3.71Å; F241-H253 AromaticContact CE2-CD2 3.36Å; F241-H253 WeakPolarHBondContact CE2-CD2 3.47Å; F241-H253 AromaticContact CE2-NE2 3.21Å; F241-H253 WeakPolarHBondContact CE2-NE2 3.35Å; L249-H253 PolarHBondContact O-CD2 3.1Å; L249-H253 PolarHBondContact O-N 3.34Å; A250-H253 PolarHBondContact O-N 3.38Å; I251-H253 VanDerWaalsContact C-N 3.32Å; I251-H253 PolarHBondContact O-N 2.71Å; H253-K256 PolarHBondContact O-N 2.69Å; H253-A257 PolarHBondContact O-N 2.99Å
254	F	97.9	Very high	95.4	Very high	1 Å²	1	59.6 Å²	59.6	0%	0.004	30%	0.3	C	S	.	.	H	α-helix	trans	-66.8	-40.3	172.4	-70.4	-50.5	0	0	0	112.3	S235 C239 A250 I251 K256 A257 V258 N270 L271 V274	S235-F254 WeakPolarHBondContact O-CE1 3.35Å; C239-F254 HydrophobicContact CB-CZ 4.4Å; C239-F254 VanDerWaalsContact N-CZ 3.31Å; A250-F254 HydrophobicContact CB-CD2 4.45Å; A250-F254 HydrophobicContact CB-CE2 4.19Å; A250-F254 WeakPolarHBondContact O-CD2 3.39Å; A250-F254 WeakPolarHBondContact O-CG 3.47Å; A250-F254 PolarHBondContact O-N 2.69Å; I251-F254 PolarHBondContact O-N 3.43Å; F254-K256 VanDerWaalsContact C-N 3.28Å; F254-K256 PolarHBondContact O-N 3Å; F254-A257 WeakPolarHBondContact O-CB 3.29Å; F254-A257 PolarHBondContact O-N 3.35Å; F254-A257 VanDerWaalsContact O-N 3.16Å; F254-V258 PolarHBondContact O-N 3.2Å; F254-N270 HydrophobicContact CD1-CB 4.04Å; F254-N270 HydrophobicContact CD2-CB 4.3Å; F254-N270 HydrophobicContact CE1-CB 3.53Å; F254-N270 HydrophobicContact CE2-CB 3.83Å; F254-N270 HydrophobicContact CG-CB 4.41Å; F254-N270 HydrophobicContact CZ-CB 3.43Å; F254-N270 VanDerWaalsContact CZ-CB 3.43Å; F254-L271 HydrophobicContact CB-CB 3.93Å; F254-L271 HydrophobicContact CB-CD1 4.01Å; F254-L271 HydrophobicContact CB-CG 4.46Å; F254-V274 HydrophobicContact CD2-CG2 4.31Å; F254-V274 HydrophobicContact CE2-CG2 3.87Å
255	E	97.3	Very high	95.5	Very high	77 Å²	77	58.2 Å²	58.2	36%	0.36	30%	0.295	S	S	.	.	H	α-helix	trans	-60	-41.4	174	-74.7	-167.9	124.8	0	0	111.7	I251 H252 A257 V258 Q259 L271 R283	I251-E255 HydrophobicContact CG2-CG 4.21Å; I251-E255 WeakPolarHBondContact O-CB 3.5Å; I251-E255 WeakPolarHBondContact O-CG 3.35Å; I251-E255 PolarHBondContact O-N 3.37Å; H252-E255 PolarHBondContact O-N 3.21Å; E255-A257 VanDerWaalsContact C-N 3.34Å; E255-V258 VanDerWaalsContact O-CG2 3.26Å; E255-V258 WeakPolarHBondContact O-CG2 3.32Å; E255-V258 PolarHBondContact O-N 2.84Å; E255-Q259 VanDerWaalsContact O-CB 3.32Å; E255-Q259 WeakPolarHBondContact O-CB 3.24Å; E255-Q259 PolarHBondContact O-N 3.15Å; E255-L271 HydrophobicContact CG-CD1 3.9Å; E255-L271 HydrophobicContact CG-CD2 4.14Å; E255-R283 IonicContact OE1-CZ 3.67Å; E255-R283 IonicContact OE1-NH2 3.9Å; E255-R283 PolarHBondContact OE1-NH2 3.08Å; E255-R283 IonicContact OE2-NH2 3.2Å; E255-R283 PolarHBondContact OE2-NH2 3.18Å
256	K	97.3	Very high	95.7	Very high	62 Å²	62	60.2 Å²	60.2	27%	0.27	29%	0.293	S	S	.	.	H	α-helix	trans	-64.9	-40.3	175.6	-168.8	59.5	176.4	179.9	0	111.9	W234 H252 H253 F254 Q259 L260	W234-K256 HydrophobicContact CD2-CB 3.97Å; W234-K256 HydrophobicContact CD2-CG 3.49Å; W234-K256 VanDerWaalsContact CD2-CG 3.49Å; W234-K256 HydrophobicContact CE3-CB 3.58Å; W234-K256 HydrophobicContact CE3-CG 3.47Å; W234-K256 VanDerWaalsContact CE3-CG 3.47Å; W234-K256 HydrophobicContact CG-CB 4.47Å; W234-K256 HydrophobicContact CG-CG 4.12Å; W234-K256 HydrophobicContact CH2-CG 3.91Å; W234-K256 HydrophobicContact CZ2-CG 3.91Å; W234-K256 HydrophobicContact CZ3-CB 3.98Å; W234-K256 HydrophobicContact CZ3-CG 3.69Å; H252-K256 PolarHBondContact O-N 2.82Å; H253-K256 PolarHBondContact O-N 2.69Å; F254-K256 VanDerWaalsContact C-N 3.28Å; F254-K256 PolarHBondContact O-N 3Å; K256-Q259 PolarHBondContact O-N 3.26Å; K256-L260 HydrophobicContact CG-CD1 4.16Å; K256-L260 VanDerWaalsContact O-CG 3.28Å; K256-L260 WeakPolarHBondContact O-CG 3.19Å; K256-L260 PolarHBondContact O-N 3.05Å
257	A	97.5	Very high	95.8	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61	-47.8	176.9	0	0	0	0	0	112	W234 H253 F254 E255 Q259 L260 D261 F264 A267	W234-A257 HydrophobicContact CB-CB 3.91Å; H253-A257 PolarHBondContact O-N 2.99Å; F254-A257 WeakPolarHBondContact O-CB 3.29Å; F254-A257 PolarHBondContact O-N 3.35Å; F254-A257 VanDerWaalsContact O-N 3.16Å; E255-A257 VanDerWaalsContact C-N 3.34Å; A257-Q259 VanDerWaalsContact C-N 3.32Å; A257-Q259 PolarHBondContact O-N 2.94Å; A257-L260 PolarHBondContact O-N 2.7Å; A257-D261 PolarHBondContact O-N 3.18Å; A257-F264 HydrophobicContact CB-CD1 4.23Å; A257-F264 HydrophobicContact CB-CE1 4.39Å; A257-A267 HydrophobicContact CB-CB 4.06Å
258	V	96.4	Very high	96.1	Very high	15 Å²	15	55 Å²	55	9%	0.091	27%	0.266	C	S	.	.	H	α-helix	trans	-72.2	-24.9	178.6	-59.4	0	0	0	0	113.3	F254 E255 D261 P262 A267 Y268 L271	F254-V258 PolarHBondContact O-N 3.2Å; E255-V258 VanDerWaalsContact O-CG2 3.26Å; E255-V258 WeakPolarHBondContact O-CG2 3.32Å; E255-V258 PolarHBondContact O-N 2.84Å; V258-D261 CarbonylContact O-C 3.58Å; V258-D261 VanDerWaalsContact O-C 3.28Å; V258-P262 WeakPolarHBondContact O-CA 3.3Å; V258-A267 HydrophobicContact CG1-CB 3.58Å; V258-Y268 HydrophobicContact CB-CD1 4.37Å; V258-Y268 HydrophobicContact CB-CD2 4.47Å; V258-Y268 HydrophobicContact CB-CE1 3.84Å; V258-Y268 HydrophobicContact CB-CE2 3.95Å; V258-Y268 HydrophobicContact CG1-CD1 3.85Å; V258-Y268 HydrophobicContact CG1-CD2 3.82Å; V258-Y268 HydrophobicContact CG1-CE1 3.84Å; V258-Y268 HydrophobicContact CG1-CE2 3.81Å; V258-Y268 HydrophobicContact CG1-CG 3.83Å; V258-Y268 HydrophobicContact CG2-CE1 4.1Å; V258-L271 HydrophobicContact CG2-CD2 4.24Å
259	Q	96.5	Very high	96.3	Very high	133 Å²	133	47.2 Å²	47.2	62%	0.621	24%	0.238	S	C	*	.	H	α-helix	trans	-67.5	-41.5	171.2	-174.1	-171.8	28.1	0	0	111.2	E255 K256 A257	E255-Q259 VanDerWaalsContact O-CB 3.32Å; E255-Q259 WeakPolarHBondContact O-CB 3.24Å; E255-Q259 PolarHBondContact O-N 3.15Å; K256-Q259 PolarHBondContact O-N 3.26Å; A257-Q259 VanDerWaalsContact C-N 3.32Å; A257-Q259 PolarHBondContact O-N 2.94Å
260	L	96.2	Very high	96.4	Very high	56 Å²	56	46.1 Å²	46.1	29%	0.293	23%	0.232	S	C	.	.	H	α-helix	trans	-75.4	-37.5	-179.2	-70.5	171.8	0	0	0	112.2	N229 A231 W234 K256 A257	N229-L260 HydrophobicContact CB-CD2 4.04Å; A231-L260 HydrophobicContact CB-CB 3.88Å; W234-L260 VanDerWaalsContact CD1-CD1 3.41Å; W234-L260 HydrophobicContact CG-CD1 4.15Å; K256-L260 HydrophobicContact CG-CD1 4.16Å; K256-L260 VanDerWaalsContact O-CG 3.28Å; K256-L260 WeakPolarHBondContact O-CG 3.19Å; K256-L260 PolarHBondContact O-N 3.05Å; A257-L260 PolarHBondContact O-N 2.7Å
261	D	95.7	Very high	96.4	Very high	64 Å²	64	46.6 Å²	46.6	34%	0.342	24%	0.235	S	C	.	.			trans	-128.6	96.3	173	-179.7	4.5	0	0	0	110.9	A231 A257 V258 N263 F264	A231-D261 HydrophobicContact CB-CB 3.81Å; A257-D261 PolarHBondContact O-N 3.18Å; V258-D261 CarbonylContact O-C 3.58Å; V258-D261 VanDerWaalsContact O-C 3.28Å; D261-N263 PolarHBondContact O-N 2.83Å; D261-N263 PolarHBondContact OD1-N 2.8Å; D261-F264 HydrophobicContact CB-CB 3.97Å; D261-F264 VanDerWaalsContact O-CB 3.3Å; D261-F264 WeakPolarHBondContact O-CB 3.36Å; D261-F264 PolarHBondContact O-N 2.81Å; D261-F264 VanDerWaalsContact O-N 3.09Å
262	P	94.7	Very high	96.4	Very high	65 Å²	65	46.4 Å²	46.4	42%	0.422	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-8.5	178.9	-25.6	35.9	0	0	0	115.9	V258 Y268 R290	V258-P262 WeakPolarHBondContact O-CA 3.3Å; P262-Y268 WeakPolarHBondContact O-CE2 3.29Å; P262-R290 PolarHBondContact O-NH2 3.34Å
263	N	94.9	Very high	96.4	Very high	110 Å²	110	44.1 Å²	44.1	59%	0.588	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.1	9.9	177.4	-64.9	-32.4	0	0	0	112.6	D261 L265 L294	D261-N263 PolarHBondContact O-N 2.83Å; D261-N263 PolarHBondContact OD1-N 2.8Å; N263-L265 PolarHBondContact O-N 3.47Å; N263-L294 HydrophobicContact CB-CD2 4.18Å
264	F	95.3	Very high	96.4	Very high	32 Å²	32	43.2 Å²	43.2	14%	0.14	22%	0.221	C	C	.	.			trans	-77	88.4	-177.4	-162.8	176.9	0	0	0	112.3	A231 V232 A257 D261 D266 A267 Y268	A231-F264 HydrophobicContact CB-CD1 4.15Å; A231-F264 HydrophobicContact CB-CE1 4.38Å; V232-F264 HydrophobicContact CG2-CE1 4.46Å; V232-F264 HydrophobicContact CG2-CZ 4.3Å; A257-F264 HydrophobicContact CB-CD1 4.23Å; A257-F264 HydrophobicContact CB-CE1 4.39Å; D261-F264 HydrophobicContact CB-CB 3.97Å; D261-F264 VanDerWaalsContact O-CB 3.3Å; D261-F264 WeakPolarHBondContact O-CB 3.36Å; D261-F264 PolarHBondContact O-N 2.81Å; D261-F264 VanDerWaalsContact O-N 3.09Å; F264-D266 HydrophobicContact CD2-CB 4.45Å; F264-D266 HydrophobicContact CE2-CB 4.07Å; F264-D266 PolarHBondContact O-N 2.76Å; F264-A267 HydrophobicContact CB-CB 4.06Å; F264-A267 HydrophobicContact CD1-CB 3.58Å; F264-A267 HydrophobicContact CD2-CB 4.22Å; F264-A267 HydrophobicContact CE1-CB 4.06Å; F264-A267 HydrophobicContact CG-CB 3.67Å; F264-A267 PolarHBondContact O-N 3.29Å; F264-Y268 VanDerWaalsContact O-CD2 3.3Å; F264-Y268 WeakPolarHBondContact O-CD2 3.5Å; F264-Y268 PolarHBondContact O-N 2.97Å
265	L	94.7	Very high	96.3	Very high	40 Å²	40	43.3 Å²	43.3	21%	0.209	22%	0.222	C	C	.	.	H	α-helix	trans	-51.9	-54.6	-176.4	177.1	61.9	0	0	0	113.5	N263 A267 Y268 I269 A291 L294 N295	N263-L265 PolarHBondContact O-N 3.47Å; L265-A267 VanDerWaalsContact C-N 3.27Å; L265-A267 PolarHBondContact O-N 3.38Å; L265-Y268 PolarHBondContact O-N 2.82Å; L265-Y268 VanDerWaalsContact O-N 3.09Å; L265-I269 HydrophobicContact CD1-CD1 4.02Å; L265-I269 HydrophobicContact CD1-CG1 4.28Å; L265-I269 HydrophobicContact CG-CD1 3.98Å; L265-I269 WeakPolarHBondContact O-CG1 3.46Å; L265-I269 PolarHBondContact O-N 3.11Å; L265-I269 VanDerWaalsContact O-N 3.08Å; L265-A291 HydrophobicContact CD1-CB 3.8Å; L265-A291 VanDerWaalsContact CD1-O 3.29Å; L265-A291 WeakPolarHBondContact CD1-O 3.29Å; L265-L294 HydrophobicContact CB-CD1 4.36Å; L265-L294 HydrophobicContact CD1-CB 4.14Å; L265-N295 HydrophobicContact CD1-CB 4.3Å; L265-N295 HydrophobicContact CD2-CB 3.91Å
266	D	93.6	Very high	96.2	Very high	95 Å²	95	42.6 Å²	42.6	51%	0.508	22%	0.217	S	C	.	.	H	α-helix	trans	-61.6	-35.4	-175.5	-64.6	-24.2	0	0	0	112.5	F264 I269 N270	F264-D266 HydrophobicContact CD2-CB 4.45Å; F264-D266 HydrophobicContact CE2-CB 4.07Å; F264-D266 PolarHBondContact O-N 2.76Å; D266-I269 PolarHBondContact O-N 2.52Å; D266-N270 WeakPolarHBondContact O-CB 3.29Å; D266-N270 VanDerWaalsContact O-CG 3.32Å; D266-N270 PolarHBondContact O-N 3.45Å; D266-N270 PolarHBondContact O-ND2 3.34Å
267	A	95.3	Very high	96	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66	-38.5	176.9	0	0	0	0	0	111.7	A257 V258 F264 L265 L271	A257-A267 HydrophobicContact CB-CB 4.06Å; V258-A267 HydrophobicContact CG1-CB 3.58Å; F264-A267 HydrophobicContact CB-CB 4.06Å; F264-A267 HydrophobicContact CD1-CB 3.58Å; F264-A267 HydrophobicContact CD2-CB 4.22Å; F264-A267 HydrophobicContact CE1-CB 4.06Å; F264-A267 HydrophobicContact CG-CB 3.67Å; F264-A267 PolarHBondContact O-N 3.29Å; L265-A267 VanDerWaalsContact C-N 3.27Å; L265-A267 PolarHBondContact O-N 3.38Å; A267-L271 WeakPolarHBondContact O-CB 3.5Å; A267-L271 PolarHBondContact O-N 3.16Å
268	Y	97.9	Very high	95.7	Very high	31 Å²	31	46.6 Å²	46.6	12%	0.122	24%	0.242	C	C	.	.	H	α-helix	trans	-66.9	-39.8	173.3	-78.3	-70.5	0	0	0	112.9	V258 P262 F264 L265 L271 G272 R290 L294	V258-Y268 HydrophobicContact CB-CD1 4.37Å; V258-Y268 HydrophobicContact CB-CD2 4.47Å; V258-Y268 HydrophobicContact CB-CE1 3.84Å; V258-Y268 HydrophobicContact CB-CE2 3.95Å; V258-Y268 HydrophobicContact CG1-CD1 3.85Å; V258-Y268 HydrophobicContact CG1-CD2 3.82Å; V258-Y268 HydrophobicContact CG1-CE1 3.84Å; V258-Y268 HydrophobicContact CG1-CE2 3.81Å; V258-Y268 HydrophobicContact CG1-CG 3.83Å; V258-Y268 HydrophobicContact CG2-CE1 4.1Å; P262-Y268 WeakPolarHBondContact O-CE2 3.29Å; F264-Y268 VanDerWaalsContact O-CD2 3.3Å; F264-Y268 WeakPolarHBondContact O-CD2 3.5Å; F264-Y268 PolarHBondContact O-N 2.97Å; L265-Y268 PolarHBondContact O-N 2.82Å; L265-Y268 VanDerWaalsContact O-N 3.09Å; Y268-L271 PolarHBondContact O-N 3.21Å; Y268-G272 PolarHBondContact O-N 3.14Å; Y268-R290 HydrophobicContact CD1-CB 3.89Å; Y268-R290 HydrophobicContact CD1-CG 3.79Å; Y268-R290 HydrophobicContact CD2-CG 4.05Å; Y268-R290 HydrophobicContact CE1-CB 3.9Å; Y268-R290 HydrophobicContact CE1-CG 3.41Å; Y268-R290 VanDerWaalsContact CE1-CG 3.41Å; Y268-R290 HydrophobicContact CE2-CG 3.7Å; Y268-R290 HydrophobicContact CG-CB 4.31Å; Y268-R290 HydrophobicContact CG-CG 4.1Å; Y268-L294 HydrophobicContact CD2-CD1 3.91Å; Y268-L294 HydrophobicContact CE2-CD1 4.18Å
269	I	97.8	Very high	95.6	Very high	16 Å²	16	54.4 Å²	54.4	8%	0.082	27%	0.27	C	S	.	.	H	α-helix	trans	-62.7	-49.7	177.6	-63.6	174.7	0	0	0	110	L265 D266 G272 N273 A291 H298 V301	L265-I269 HydrophobicContact CD1-CD1 4.02Å; L265-I269 HydrophobicContact CD1-CG1 4.28Å; L265-I269 HydrophobicContact CG-CD1 3.98Å; L265-I269 WeakPolarHBondContact O-CG1 3.46Å; L265-I269 PolarHBondContact O-N 3.11Å; L265-I269 VanDerWaalsContact O-N 3.08Å; D266-I269 PolarHBondContact O-N 2.52Å; I269-G272 PolarHBondContact O-N 2.99Å; I269-N273 PolarHBondContact O-N 2.67Å; I269-N273 PolarHBondContact O-ND2 3.06Å; I269-N273 PolarHBondContact O-OD1 3.27Å; I269-A291 HydrophobicContact CG1-CB 3.87Å; I269-H298 WeakPolarHBondContact CD1-NE2 3.36Å; I269-V301 HydrophobicContact CD1-CG2 3.72Å; I269-V301 HydrophobicContact CG1-CG2 3.68Å; I269-V301 HydrophobicContact CG2-CG2 4.33Å
270	N	97.1	Very high	95.4	Very high	47 Å²	47	50.1 Å²	50.1	25%	0.251	25%	0.251	S	S	.	.	H	α-helix	trans	-65.7	-40.9	179.4	-69	-30.8	0	0	0	111.8	F254 D266 G272 N273 V274	F254-N270 HydrophobicContact CD1-CB 4.04Å; F254-N270 HydrophobicContact CD2-CB 4.3Å; F254-N270 HydrophobicContact CE1-CB 3.53Å; F254-N270 HydrophobicContact CE2-CB 3.83Å; F254-N270 HydrophobicContact CG-CB 4.41Å; F254-N270 HydrophobicContact CZ-CB 3.43Å; F254-N270 VanDerWaalsContact CZ-CB 3.43Å; D266-N270 WeakPolarHBondContact O-CB 3.29Å; D266-N270 VanDerWaalsContact O-CG 3.32Å; D266-N270 PolarHBondContact O-N 3.45Å; D266-N270 PolarHBondContact O-ND2 3.34Å; N270-G272 VanDerWaalsContact C-N 3.33Å; N270-G272 PolarHBondContact O-N 3.11Å; N270-N273 PolarHBondContact O-N 3.07Å; N270-V274 WeakPolarHBondContact O-CG2 3.4Å; N270-V274 PolarHBondContact O-N 3.34Å
271	L	97.9	Very high	95.4	Very high	11 Å²	11	49.4 Å²	49.4	6%	0.058	25%	0.245	C	C	.	.	H	α-helix	trans	-56.4	-47.8	172.6	-179.5	57.1	0	0	0	111.2	I251 F254 E255 V258 A267 Y268 N273 V274 L275 A287	I251-L271 HydrophobicContact CG2-CD1 4.11Å; F254-L271 HydrophobicContact CB-CB 3.93Å; F254-L271 HydrophobicContact CB-CD1 4.01Å; F254-L271 HydrophobicContact CB-CG 4.46Å; E255-L271 HydrophobicContact CG-CD1 3.9Å; E255-L271 HydrophobicContact CG-CD2 4.14Å; V258-L271 HydrophobicContact CG2-CD2 4.24Å; A267-L271 WeakPolarHBondContact O-CB 3.5Å; A267-L271 PolarHBondContact O-N 3.16Å; Y268-L271 PolarHBondContact O-N 3.21Å; L271-N273 VanDerWaalsContact C-N 3.35Å; L271-N273 PolarHBondContact O-N 3.19Å; L271-V274 PolarHBondContact O-N 3.04Å; L271-L275 HydrophobicContact CD1-CD1 3.72Å; L271-L275 HydrophobicContact CD1-CG 4.03Å; L271-L275 HydrophobicContact CG-CD1 3.67Å; L271-L275 HydrophobicContact CG-CG 4.41Å; L271-L275 WeakPolarHBondContact O-CB 3.36Å; L271-L275 WeakPolarHBondContact O-CD1 3.46Å; L271-L275 WeakPolarHBondContact O-CG 3.48Å; L271-L275 PolarHBondContact O-N 3.17Å; L271-A287 HydrophobicContact CB-CB 4.45Å; L271-A287 HydrophobicContact CD2-CB 4.31Å; L271-A287 HydrophobicContact CG-CB 4.2Å
272	G	97.3	Very high	95.3	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.4	-43.3	176.7	0	0	0	0	0	112.7	Y268 I269 N270 L275 K276 Y288	Y268-G272 PolarHBondContact O-N 3.14Å; I269-G272 PolarHBondContact O-N 2.99Å; N270-G272 VanDerWaalsContact C-N 3.33Å; N270-G272 PolarHBondContact O-N 3.11Å; G272-L275 PolarHBondContact O-N 3.28Å; G272-K276 VanDerWaalsContact O-CB 3.31Å; G272-K276 WeakPolarHBondContact O-CB 3.4Å; G272-K276 PolarHBondContact O-N 3.13Å; G272-Y288 VanDerWaalsContact C-OH 3.26Å; G272-Y288 PolarHBondContact O-OH 3.18Å
273	N	96.1	Very high	95.4	Very high	53 Å²	53	54.6 Å²	54.6	28%	0.283	26%	0.257	S	S	.	.	H	α-helix	trans	-62	-48	178.6	-66.9	-16.1	0	0	0	112	I269 N270 L271 K276 E277 Y288 N304	I269-N273 PolarHBondContact O-N 2.67Å; I269-N273 PolarHBondContact O-ND2 3.06Å; I269-N273 PolarHBondContact O-OD1 3.27Å; N270-N273 PolarHBondContact O-N 3.07Å; L271-N273 VanDerWaalsContact C-N 3.35Å; L271-N273 PolarHBondContact O-N 3.19Å; N273-K276 WeakPolarHBondContact O-CB 3.44Å; N273-K276 PolarHBondContact O-N 2.97Å; N273-E277 PolarHBondContact O-N 3.37Å; N273-Y288 VanDerWaalsContact CA-OH 3.25Å; N273-Y288 WeakPolarHBondContact CA-OH 3.43Å; N273-Y288 PolarHBondContact N-OH 3.22Å; N273-Y288 WeakPolarHBondContact OD1-CE1 3.48Å; N273-Y288 PolarHBondContact OD1-OH 3.1Å; N273-N304 PolarHBondContact OD1-ND2 2.67Å; N273-N304 VanDerWaalsContact OD1-ND2 3.09Å
274	V	96.4	Very high	95.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-69	-36.3	179.9	-177.6	0	0	0	0	111.4	N242 I247 A250 I251 F254 N270 L271 E277 A278	N242-V274 HydrophobicContact CB-CG2 4.23Å; N242-V274 WeakPolarHBondContact OD1-CG2 3.35Å; I247-V274 HydrophobicContact CB-CG1 4.34Å; I247-V274 HydrophobicContact CG2-CG1 3.64Å; A250-V274 HydrophobicContact CB-CG1 4.15Å; A250-V274 HydrophobicContact CB-CG2 4.4Å; I251-V274 HydrophobicContact CD1-CG1 4.16Å; I251-V274 HydrophobicContact CG1-CB 4.29Å; I251-V274 HydrophobicContact CG1-CG1 3.61Å; F254-V274 HydrophobicContact CD2-CG2 4.31Å; F254-V274 HydrophobicContact CE2-CG2 3.87Å; N270-V274 WeakPolarHBondContact O-CG2 3.4Å; N270-V274 PolarHBondContact O-N 3.34Å; L271-V274 PolarHBondContact O-N 3.04Å; V274-E277 PolarHBondContact O-N 2.8Å; V274-A278 WeakPolarHBondContact O-CB 3.1Å; V274-A278 PolarHBondContact O-N 3.41Å
275	L	97.3	Very high	95.5	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-66.6	-37.4	174.3	-72.3	167.1	0	0	0	112.4	I251 L271 G272 A278 R279 I280 R283 A284 A287	I251-L275 HydrophobicContact CD1-CD2 3.9Å; I251-L275 HydrophobicContact CG1-CD2 4.17Å; I251-L275 HydrophobicContact CG1-CG 4.47Å; I251-L275 HydrophobicContact CG2-CD2 4.23Å; L271-L275 HydrophobicContact CD1-CD1 3.72Å; L271-L275 HydrophobicContact CD1-CG 4.03Å; L271-L275 HydrophobicContact CG-CD1 3.67Å; L271-L275 HydrophobicContact CG-CG 4.41Å; L271-L275 WeakPolarHBondContact O-CB 3.36Å; L271-L275 WeakPolarHBondContact O-CD1 3.46Å; L271-L275 WeakPolarHBondContact O-CG 3.48Å; L271-L275 PolarHBondContact O-N 3.17Å; G272-L275 PolarHBondContact O-N 3.28Å; L275-A278 CarbonylContact O-C 3.54Å; L275-A278 PolarHBondContact O-N 3.49Å; L275-R279 PolarHBondContact O-N 3.21Å; L275-I280 HydrophobicContact CD2-CB 4.19Å; L275-I280 HydrophobicContact CD2-CD1 4.1Å; L275-I280 HydrophobicContact CD2-CG2 4.47Å; L275-I280 PolarHBondContact O-N 2.86Å; L275-R283 HydrophobicContact CD1-CB 3.79Å; L275-R283 HydrophobicContact CD2-CB 4.12Å; L275-A284 HydrophobicContact CB-CB 3.75Å; L275-A287 HydrophobicContact CD1-CB 4.4Å
276	K	94.8	Very high	95.6	Very high	62 Å²	62	49.1 Å²	49.1	27%	0.27	24%	0.239	S	C	.	.	H	α-helix	trans	-62.7	-45.8	173.1	174.6	-172.8	168.9	-169.9	0	110.4	G272 N273 A278 R279 A284 V308	G272-K276 VanDerWaalsContact O-CB 3.31Å; G272-K276 WeakPolarHBondContact O-CB 3.4Å; G272-K276 PolarHBondContact O-N 3.13Å; N273-K276 WeakPolarHBondContact O-CB 3.44Å; N273-K276 PolarHBondContact O-N 2.97Å; K276-A278 VanDerWaalsContact C-N 3.32Å; K276-A278 PolarHBondContact O-N 3.08Å; K276-R279 WeakPolarHBondContact O-CA 3.41Å; K276-R279 PolarHBondContact O-N 2.61Å; K276-A284 HydrophobicContact CB-CB 4.26Å; K276-V308 HydrophobicContact CB-CG2 4.26Å; K276-V308 HydrophobicContact CD-CG2 4.17Å; K276-V308 HydrophobicContact CG-CG2 4.02Å
277	E	91.7	Very high	95.8	Very high	118 Å²	118	44.9 Å²	44.9	55%	0.551	22%	0.217	S	C	*	.	H	α-helix	trans	-60.9	-40.8	176.1	-172.3	174.9	172.7	0	0	111.9	I247 N273 V274 R279	I247-E277 HydrophobicContact CD1-CG 4.18Å; N273-E277 PolarHBondContact O-N 3.37Å; V274-E277 PolarHBondContact O-N 2.8Å; E277-R279 PolarHBondContact O-N 3.23Å
278	A	92.8	Very high	95.9	Very high	28 Å²	28	44.9 Å²	44.9	23%	0.231	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-0.8	172.8	0	0	0	0	0	114.4	I247 I251 V274 L275 K276 I280	I247-A278 HydrophobicContact CG2-CB 3.87Å; I251-A278 HydrophobicContact CD1-CB 4.32Å; V274-A278 WeakPolarHBondContact O-CB 3.1Å; V274-A278 PolarHBondContact O-N 3.41Å; L275-A278 CarbonylContact O-C 3.54Å; L275-A278 PolarHBondContact O-N 3.49Å; K276-A278 VanDerWaalsContact C-N 3.32Å; K276-A278 PolarHBondContact O-N 3.08Å; A278-I280 HydrophobicContact CB-CD1 3.94Å; A278-I280 HydrophobicContact CB-CG1 3.96Å; A278-I280 PolarHBondContact O-N 3.35Å
279	R	92.7	Very high	95.9	Very high	180 Å²	180	47.5 Å²	47.5	68%	0.679	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	29.8	-175	-60.1	-173.1	171	-139.9	-5.2	114.7	L275 K276 E277 F281	L275-R279 PolarHBondContact O-N 3.21Å; K276-R279 WeakPolarHBondContact O-CA 3.41Å; K276-R279 PolarHBondContact O-N 2.61Å; E277-R279 PolarHBondContact O-N 3.23Å; R279-F281 VanDerWaalsContact C-N 3.35Å; R279-F281 HydrophobicContact CB-CE1 4.38Å; R279-F281 HydrophobicContact CB-CE2 4.33Å; R279-F281 HydrophobicContact CB-CZ 3.99Å; R279-F281 HydrophobicContact CG-CZ 4.09Å; R279-F281 PolarHBondContact O-N 3.18Å
280	I	94.2	Very high	95.8	Very high	43 Å²	43	51.8 Å²	51.8	22%	0.221	25%	0.247	C	C	.	.			trans	-95	67.5	175.9	-49	172.7	0	0	0	108.8	W248 L275 A278 E282 R283 A284	W248-I280 HydrophobicContact CH2-CD1 3.81Å; W248-I280 HydrophobicContact CZ3-CD1 3.75Å; L275-I280 HydrophobicContact CD2-CB 4.19Å; L275-I280 HydrophobicContact CD2-CD1 4.1Å; L275-I280 HydrophobicContact CD2-CG2 4.47Å; L275-I280 PolarHBondContact O-N 2.86Å; A278-I280 HydrophobicContact CB-CD1 3.94Å; A278-I280 HydrophobicContact CB-CG1 3.96Å; A278-I280 PolarHBondContact O-N 3.35Å; I280-E282 PolarHBondContact O-N 3.25Å; I280-R283 HydrophobicContact CG2-CB 4.02Å; I280-R283 HydrophobicContact CG2-CG 4.16Å; I280-R283 PolarHBondContact O-N 2.91Å; I280-A284 PolarHBondContact O-N 3.46Å
281	F	94.8	Very high	95.8	Very high	40 Å²	40	49.5 Å²	49.5	18%	0.175	24%	0.235	C	C	.	.	H	α-helix	trans	-60	-40.8	-165.5	-62.2	-47.6	0	0	0	115	R279 R283 A284 S285 V308 E311 Q312	R279-F281 VanDerWaalsContact C-N 3.35Å; R279-F281 HydrophobicContact CB-CE1 4.38Å; R279-F281 HydrophobicContact CB-CE2 4.33Å; R279-F281 HydrophobicContact CB-CZ 3.99Å; R279-F281 HydrophobicContact CG-CZ 4.09Å; R279-F281 PolarHBondContact O-N 3.18Å; F281-R283 VanDerWaalsContact C-N 3.3Å; F281-R283 PolarHBondContact O-N 3.12Å; F281-A284 PolarHBondContact O-N 2.49Å; F281-S285 PolarHBondContact O-N 2.68Å; F281-S285 PolarHBondContact O-OG 2.92Å; F281-V308 HydrophobicContact CB-CG1 3.74Å; F281-V308 HydrophobicContact CD1-CG1 3.93Å; F281-V308 HydrophobicContact CD1-CG2 4.44Å; F281-V308 HydrophobicContact CG-CG1 4.16Å; F281-E311 HydrophobicContact CE1-CB 3.93Å; F281-E311 HydrophobicContact CE1-CG 4.32Å; F281-E311 HydrophobicContact CE2-CB 4.01Å; F281-E311 HydrophobicContact CZ-CB 3.6Å; F281-E311 HydrophobicContact CZ-CG 4.14Å; F281-Q312 HydrophobicContact CB-CG 3.72Å; F281-Q312 HydrophobicContact CD2-CG 3.99Å; F281-Q312 HydrophobicContact CG-CG 4.02Å
282	E	94.3	Very high	95.8	Very high	139 Å²	139	49.8 Å²	49.8	65%	0.65	24%	0.236	S	C	*	.	H	α-helix	trans	-60.2	-37.7	178.4	-69.3	-59.3	143.6	0	0	113.1	I280 S285 A286 Q312	I280-E282 PolarHBondContact O-N 3.25Å; E282-S285 PolarHBondContact O-OG 2.97Å; E282-A286 PolarHBondContact O-N 2.92Å; E282-Q312 PolarHBondContact OE1-NE2 3.13Å
283	R	95.8	Very high	95.7	Very high	100 Å²	100	53.1 Å²	53.1	38%	0.377	26%	0.264	S	S	.	.	H	α-helix	trans	-80.6	-34.6	177.3	-70.3	174.3	60.6	-161.4	0.7	111.2	E255 L275 I280 F281 A286 A287	E255-R283 IonicContact OE1-CZ 3.67Å; E255-R283 IonicContact OE1-NH2 3.9Å; E255-R283 PolarHBondContact OE1-NH2 3.08Å; E255-R283 IonicContact OE2-NH2 3.2Å; E255-R283 PolarHBondContact OE2-NH2 3.18Å; L275-R283 HydrophobicContact CD1-CB 3.79Å; L275-R283 HydrophobicContact CD2-CB 4.12Å; I280-R283 HydrophobicContact CG2-CB 4.02Å; I280-R283 HydrophobicContact CG2-CG 4.16Å; I280-R283 PolarHBondContact O-N 2.91Å; F281-R283 VanDerWaalsContact C-N 3.3Å; F281-R283 PolarHBondContact O-N 3.12Å; R283-A286 PolarHBondContact O-N 3.04Å; R283-A287 WeakPolarHBondContact O-CB 3.36Å; R283-A287 PolarHBondContact O-N 3.36Å
284	A	97.3	Very high	95.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-46.7	175.2	0	0	0	0	0	111.1	L275 K276 I280 F281 A287 Y288 V308	L275-A284 HydrophobicContact CB-CB 3.75Å; K276-A284 HydrophobicContact CB-CB 4.26Å; I280-A284 PolarHBondContact O-N 3.46Å; F281-A284 PolarHBondContact O-N 2.49Å; A284-A287 PolarHBondContact O-N 3.25Å; A284-Y288 HydrophobicContact CB-CE2 4.43Å; A284-Y288 WeakPolarHBondContact O-CD2 3.24Å; A284-Y288 PolarHBondContact O-N 2.85Å; A284-V308 HydrophobicContact CB-CG2 4.22Å
285	S	96.4	Very high	95.7	Very high	11 Å²	11	55.7 Å²	55.7	8%	0.077	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-43.6	177.1	65	0	0	0	0	111.6	F281 E282 A287 Y288 L289	F281-S285 PolarHBondContact O-N 2.68Å; F281-S285 PolarHBondContact O-OG 2.92Å; E282-S285 PolarHBondContact O-OG 2.97Å; S285-A287 PolarHBondContact O-N 3.01Å; S285-Y288 PolarHBondContact O-N 2.94Å; S285-L289 WeakPolarHBondContact O-CB 3.32Å; S285-L289 VanDerWaalsContact O-CG 3.27Å; S285-L289 WeakPolarHBondContact O-CG 3.39Å; S285-L289 PolarHBondContact O-N 3.01Å
286	A	96.1	Very high	95.6	Very high	56 Å²	56	59.5 Å²	59.5	46%	0.463	30%	0.303	S	S	.	.	H	α-helix	trans	-59.8	-42.7	175.5	0	0	0	0	0	112.6	E282 R283 R290	E282-A286 PolarHBondContact O-N 2.92Å; R283-A286 PolarHBondContact O-N 3.04Å; A286-R290 WeakPolarHBondContact O-CB 3.45Å; A286-R290 PolarHBondContact O-N 3.26Å
287	A	97.2	Very high	95.6	Very high	6 Å²	6	60.2 Å²	60.2	5%	0.05	32%	0.315	C	S	.	.	H	α-helix	trans	-64.3	-45.2	176.3	0	0	0	0	0	111.8	L271 L275 R283 A284 S285 R290 A291	L271-A287 HydrophobicContact CB-CB 4.45Å; L271-A287 HydrophobicContact CD2-CB 4.31Å; L271-A287 HydrophobicContact CG-CB 4.2Å; L275-A287 HydrophobicContact CD1-CB 4.4Å; R283-A287 WeakPolarHBondContact O-CB 3.36Å; R283-A287 PolarHBondContact O-N 3.36Å; A284-A287 PolarHBondContact O-N 3.25Å; S285-A287 PolarHBondContact O-N 3.01Å; A287-R290 PolarHBondContact O-N 3.17Å; A287-A291 PolarHBondContact O-N 3.35Å
288	Y	98.1	Very high	95.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.8	-40.9	176.4	-68.6	-43.8	0	0	0	113	G272 N273 A284 S285 R290 A291 L292 V301 N304 L305 V308	G272-Y288 VanDerWaalsContact C-OH 3.26Å; G272-Y288 PolarHBondContact O-OH 3.18Å; N273-Y288 VanDerWaalsContact CA-OH 3.25Å; N273-Y288 WeakPolarHBondContact CA-OH 3.43Å; N273-Y288 PolarHBondContact N-OH 3.22Å; N273-Y288 WeakPolarHBondContact OD1-CE1 3.48Å; N273-Y288 PolarHBondContact OD1-OH 3.1Å; A284-Y288 HydrophobicContact CB-CE2 4.43Å; A284-Y288 WeakPolarHBondContact O-CD2 3.24Å; A284-Y288 PolarHBondContact O-N 2.85Å; S285-Y288 PolarHBondContact O-N 2.94Å; Y288-R290 VanDerWaalsContact C-N 3.27Å; Y288-R290 PolarHBondContact O-N 3.2Å; Y288-A291 WeakPolarHBondContact O-CB 3.38Å; Y288-A291 PolarHBondContact O-N 3.17Å; Y288-L292 WeakPolarHBondContact O-CG 3.35Å; Y288-L292 PolarHBondContact O-N 2.8Å; Y288-V301 HydrophobicContact CD1-CG1 3.81Å; Y288-V301 HydrophobicContact CG-CG1 4.15Å; Y288-N304 HydrophobicContact CE1-CB 4.03Å; Y288-N304 HydrophobicContact CE2-CB 3.98Å; Y288-L305 HydrophobicContact CD2-CB 4.3Å; Y288-L305 HydrophobicContact CD2-CD1 4.41Å; Y288-V308 HydrophobicContact CD2-CG2 4.39Å; Y288-V308 HydrophobicContact CE2-CG2 3.96Å
289	L	97.3	Very high	95.8	Very high	85 Å²	85	55.8 Å²	55.8	45%	0.445	29%	0.291	S	S	.	.	H	α-helix	trans	-62.5	-37.1	175.2	-74.4	171.4	0	0	0	111.4	S285 L292 A293 L305	S285-L289 WeakPolarHBondContact O-CB 3.32Å; S285-L289 VanDerWaalsContact O-CG 3.27Å; S285-L289 WeakPolarHBondContact O-CG 3.39Å; S285-L289 PolarHBondContact O-N 3.01Å; L289-L292 PolarHBondContact O-N 2.91Å; L289-A293 PolarHBondContact O-N 2.83Å; L289-L305 HydrophobicContact CD2-CD2 3.91Å; L289-L305 HydrophobicContact CG-CD2 4.35Å
290	R	96.9	Very high	95.9	Very high	106 Å²	106	51 Å²	51	40%	0.4	28%	0.278	S	S	.	.	H	α-helix	trans	-67.8	-40.9	174.1	-172	58	179.9	-172.9	6.7	111.9	P262 Y268 A286 A287 Y288 L292 A293 L294	P262-R290 PolarHBondContact O-NH2 3.34Å; Y268-R290 HydrophobicContact CD1-CB 3.89Å; Y268-R290 HydrophobicContact CD1-CG 3.79Å; Y268-R290 HydrophobicContact CD2-CG 4.05Å; Y268-R290 HydrophobicContact CE1-CB 3.9Å; Y268-R290 HydrophobicContact CE1-CG 3.41Å; Y268-R290 VanDerWaalsContact CE1-CG 3.41Å; Y268-R290 HydrophobicContact CE2-CG 3.7Å; Y268-R290 HydrophobicContact CG-CB 4.31Å; Y268-R290 HydrophobicContact CG-CG 4.1Å; A286-R290 WeakPolarHBondContact O-CB 3.45Å; A286-R290 PolarHBondContact O-N 3.26Å; A287-R290 PolarHBondContact O-N 3.17Å; Y288-R290 VanDerWaalsContact C-N 3.27Å; Y288-R290 PolarHBondContact O-N 3.2Å; R290-L292 VanDerWaalsContact C-N 3.34Å; R290-L292 PolarHBondContact O-N 3.03Å; R290-A293 WeakPolarHBondContact O-CB 3.36Å; R290-A293 PolarHBondContact O-N 3.3Å; R290-L294 WeakPolarHBondContact O-CG 3.21Å; R290-L294 PolarHBondContact O-N 2.96Å
291	A	97.2	Very high	96.1	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.9	-42.6	171.4	0	0	0	0	0	111.9	L265 I269 A287 Y288 A293 L294 N295 V301	L265-A291 HydrophobicContact CD1-CB 3.8Å; L265-A291 VanDerWaalsContact CD1-O 3.29Å; L265-A291 WeakPolarHBondContact CD1-O 3.29Å; I269-A291 HydrophobicContact CG1-CB 3.87Å; A287-A291 PolarHBondContact O-N 3.35Å; Y288-A291 WeakPolarHBondContact O-CB 3.38Å; Y288-A291 PolarHBondContact O-N 3.17Å; A291-A293 VanDerWaalsContact C-N 3.34Å; A291-A293 PolarHBondContact O-N 3.35Å; A291-L294 WeakPolarHBondContact O-CB 3.49Å; A291-L294 PolarHBondContact O-N 3.48Å; A291-N295 PolarHBondContact O-N 2.94Å; A291-V301 HydrophobicContact CB-CG1 4.23Å
292	L	96.5	Very high	96.2	Very high	16 Å²	16	48.3 Å²	48.3	8%	0.084	27%	0.265	C	S	.	.	H	α-helix	trans	-69.5	-27.9	176.5	-70	174.7	0	0	0	113.2	Y288 L289 R290 L294 N295 P296 H298 V301 H302 L305	Y288-L292 WeakPolarHBondContact O-CG 3.35Å; Y288-L292 PolarHBondContact O-N 2.8Å; L289-L292 PolarHBondContact O-N 2.91Å; R290-L292 VanDerWaalsContact C-N 3.34Å; R290-L292 PolarHBondContact O-N 3.03Å; L292-L294 VanDerWaalsContact C-N 3.27Å; L292-N295 CarbonylContact O-C 3.54Å; L292-P296 WeakPolarHBondContact O-CA 3.28Å; L292-P296 WeakPolarHBondContact O-CD 3.33Å; L292-P296 WeakPolarHBondContact O-CG 3.42Å; L292-H298 HydrophobicContact CD2-CB 4.28Å; L292-V301 HydrophobicContact CD1-CG1 4.18Å; L292-V301 HydrophobicContact CD2-CB 3.88Å; L292-V301 HydrophobicContact CD2-CG1 3.8Å; L292-V301 HydrophobicContact CG-CB 4.29Å; L292-V301 HydrophobicContact CG-CG1 3.63Å; L292-H302 WeakPolarHBondContact CD2-NE2 3.49Å; L292-L305 HydrophobicContact CD1-CD2 3.85Å
293	A	96.7	Very high	96.3	Very high	70 Å²	70	41.8 Å²	41.8	58%	0.579	24%	0.235	S	C	*	.	H	α-helix	trans	-66.9	-32.1	171.5	0	0	0	0	0	111.9	L289 R290 A291	L289-A293 PolarHBondContact O-N 2.83Å; R290-A293 WeakPolarHBondContact O-CB 3.36Å; R290-A293 PolarHBondContact O-N 3.3Å; A291-A293 VanDerWaalsContact C-N 3.34Å; A291-A293 PolarHBondContact O-N 3.35Å
294	L	95.7	Very high	96.3	Very high	58 Å²	58	38.7 Å²	38.7	30%	0.304	23%	0.226	S	C	.	.	H	α-helix	trans	-79.2	-38.4	174.8	-63.2	170.5	0	0	0	111.9	N263 L265 Y268 R290 A291 L292	N263-L294 HydrophobicContact CB-CD2 4.18Å; L265-L294 HydrophobicContact CB-CD1 4.36Å; L265-L294 HydrophobicContact CD1-CB 4.14Å; Y268-L294 HydrophobicContact CD2-CD1 3.91Å; Y268-L294 HydrophobicContact CE2-CD1 4.18Å; R290-L294 WeakPolarHBondContact O-CG 3.21Å; R290-L294 PolarHBondContact O-N 2.96Å; A291-L294 WeakPolarHBondContact O-CB 3.49Å; A291-L294 PolarHBondContact O-N 3.48Å; L292-L294 VanDerWaalsContact C-N 3.27Å
295	N	96.1	Very high	96.3	Very high	49 Å²	49	38.9 Å²	38.9	26%	0.262	23%	0.227	S	C	.	.			trans	-138.8	91.4	175.3	-176.8	-4	0	0	0	111.7	L265 A291 L292 S297 H298	L265-N295 HydrophobicContact CD1-CB 4.3Å; L265-N295 HydrophobicContact CD2-CB 3.91Å; A291-N295 PolarHBondContact O-N 2.94Å; L292-N295 CarbonylContact O-C 3.54Å; N295-S297 PolarHBondContact O-N 3.4Å; N295-S297 VanDerWaalsContact O-N 3.16Å; N295-S297 PolarHBondContact OD1-N 3.28Å; N295-S297 PolarHBondContact OD1-OG 3.19Å; N295-H298 HydrophobicContact CB-CB 4.42Å; N295-H298 PolarHBondContact O-N 3.47Å
296	P	94.9	Very high	96.4	Very high	83 Å²	83	38.3 Å²	38.3	54%	0.539	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21	-177.3	-25.7	34.6	0	0	0	115.2	L292 H302	L292-P296 WeakPolarHBondContact O-CA 3.28Å; L292-P296 WeakPolarHBondContact O-CD 3.33Å; L292-P296 WeakPolarHBondContact O-CG 3.42Å; P296-H302 PolarHBondContact O-NE2 3.31Å
297	S	94.5	Very high	96.4	Very high	76 Å²	76	36.5 Å²	36.5	53%	0.531	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	9.6	-177.9	40.1	0	0	0	0	114.2	N295 A299	N295-S297 PolarHBondContact O-N 3.4Å; N295-S297 VanDerWaalsContact O-N 3.16Å; N295-S297 PolarHBondContact OD1-N 3.28Å; N295-S297 PolarHBondContact OD1-OG 3.19Å; S297-A299 PolarHBondContact O-N 3.36Å; S297-A299 VanDerWaalsContact O-N 3.09Å
298	H	95.4	Very high	96.4	Very high	46 Å²	46	36.2 Å²	36.2	21%	0.213	20%	0.204	C	C	.	.			trans	-79.5	92.8	-176.6	-159.2	-36.9	0	0	0	112.8	I269 L292 N295 I300 V301 H302	I269-H298 WeakPolarHBondContact CD1-NE2 3.36Å; L292-H298 HydrophobicContact CD2-CB 4.28Å; N295-H298 HydrophobicContact CB-CB 4.42Å; N295-H298 PolarHBondContact O-N 3.47Å; H298-I300 PolarHBondContact O-N 3.41Å; H298-V301 HydrophobicContact CB-CB 4.22Å; H298-V301 HydrophobicContact CB-CG2 4.09Å; H298-V301 PolarHBondContact O-N 2.9Å; H298-V301 VanDerWaalsContact O-N 3.17Å; H298-H302 PolarHBondContact O-CD2 3.4Å; H298-H302 PolarHBondContact O-N 3.47Å
299	A	94.6	Very high	96.3	Very high	7 Å²	7	37.8 Å²	37.8	6%	0.058	21%	0.211	C	C	.	.	H	α-helix	trans	-54.5	-47.3	-175.5	0	0	0	0	0	114.6	S297 V301 H302 G303 A325 L328 Q329	S297-A299 PolarHBondContact O-N 3.36Å; S297-A299 VanDerWaalsContact O-N 3.09Å; A299-V301 VanDerWaalsContact C-N 3.29Å; A299-V301 PolarHBondContact O-N 3.28Å; A299-H302 WeakPolarHBondContact O-CB 3.44Å; A299-H302 PolarHBondContact O-N 3.11Å; A299-G303 PolarHBondContact O-N 2.79Å; A299-A325 WeakPolarHBondContact O-CB 3.29Å; A299-L328 HydrophobicContact CB-CB 3.79Å; A299-Q329 HydrophobicContact CB-CB 3.52Å
300	I	95	Very high	96.2	Very high	81 Å²	81	36.7 Å²	36.7	42%	0.415	20%	0.201	S	C	.	.	H	α-helix	trans	-59.7	-38.5	179.8	-62.3	168.9	0	0	0	112	H298 G303 N304 F332	H298-I300 PolarHBondContact O-N 3.41Å; I300-G303 PolarHBondContact O-N 3.15Å; I300-N304 PolarHBondContact O-N 3.36Å; I300-F332 HydrophobicContact CG1-CZ 4.44Å
301	V	96.5	Very high	96	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-69.1	-39.4	178.7	179.7	0	0	0	0	110.8	I269 Y288 A291 L292 H298 A299 G303 N304 L305	I269-V301 HydrophobicContact CD1-CG2 3.72Å; I269-V301 HydrophobicContact CG1-CG2 3.68Å; I269-V301 HydrophobicContact CG2-CG2 4.33Å; Y288-V301 HydrophobicContact CD1-CG1 3.81Å; Y288-V301 HydrophobicContact CG-CG1 4.15Å; A291-V301 HydrophobicContact CB-CG1 4.23Å; L292-V301 HydrophobicContact CD1-CG1 4.18Å; L292-V301 HydrophobicContact CD2-CB 3.88Å; L292-V301 HydrophobicContact CD2-CG1 3.8Å; L292-V301 HydrophobicContact CG-CB 4.29Å; L292-V301 HydrophobicContact CG-CG1 3.63Å; H298-V301 HydrophobicContact CB-CB 4.22Å; H298-V301 HydrophobicContact CB-CG2 4.09Å; H298-V301 PolarHBondContact O-N 2.9Å; H298-V301 VanDerWaalsContact O-N 3.17Å; A299-V301 VanDerWaalsContact C-N 3.29Å; A299-V301 PolarHBondContact O-N 3.28Å; V301-G303 VanDerWaalsContact C-N 3.34Å; V301-N304 PolarHBondContact O-N 2.77Å; V301-L305 VanDerWaalsContact O-CB 3.27Å; V301-L305 WeakPolarHBondContact O-CB 3.45Å; V301-L305 PolarHBondContact O-N 3.27Å
302	H	97.6	Very high	95.8	Very high	25 Å²	25	39.3 Å²	39.3	12%	0.116	22%	0.218	C	C	.	.	H	α-helix	trans	-58.4	-46.4	169.5	-76.6	-76.1	0	0	0	111.1	L292 P296 H298 A299 N304 L305 A306 T321 A325 L328	L292-H302 WeakPolarHBondContact CD2-NE2 3.49Å; P296-H302 PolarHBondContact O-NE2 3.31Å; H298-H302 PolarHBondContact O-CD2 3.4Å; H298-H302 PolarHBondContact O-N 3.47Å; A299-H302 WeakPolarHBondContact O-CB 3.44Å; A299-H302 PolarHBondContact O-N 3.11Å; H302-N304 PolarHBondContact O-N 3.06Å; H302-L305 PolarHBondContact O-N 3.49Å; H302-A306 WeakPolarHBondContact O-CB 3.45Å; H302-A306 PolarHBondContact O-N 3Å; H302-T321 HydrophobicContact CB-CG2 4.25Å; H302-T321 VanDerWaalsContact O-CG2 3.26Å; H302-T321 WeakPolarHBondContact O-CG2 3.06Å; H302-A325 HydrophobicContact CB-CB 3.78Å; H302-L328 WeakPolarHBondContact CD2-CD1 3.42Å
303	G	96.5	Very high	95.6	Very high	3 Å²	3	41 Å²	41	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-59.2	-45.7	177.1	0	0	0	0	0	113	A299 I300 V301 A306 C307	A299-G303 PolarHBondContact O-N 2.79Å; I300-G303 PolarHBondContact O-N 3.15Å; V301-G303 VanDerWaalsContact C-N 3.34Å; G303-A306 WeakPolarHBondContact O-CB 3.42Å; G303-A306 PolarHBondContact O-N 3.14Å; G303-C307 PolarHBondContact O-N 3.06Å; G303-C307 PolarHBondContact O-SG 2.62Å
304	N	96.5	Very high	95.5	Very high	34 Å²	34	41.3 Å²	41.3	18%	0.182	23%	0.23	C	C	.	.	H	α-helix	trans	-66.9	-39.3	177.8	-79.7	-20.7	0	0	0	113	N273 Y288 I300 V301 H302 A306 C307 V308	N273-N304 PolarHBondContact OD1-ND2 2.67Å; N273-N304 VanDerWaalsContact OD1-ND2 3.09Å; Y288-N304 HydrophobicContact CE1-CB 4.03Å; Y288-N304 HydrophobicContact CE2-CB 3.98Å; I300-N304 PolarHBondContact O-N 3.36Å; V301-N304 PolarHBondContact O-N 2.77Å; H302-N304 PolarHBondContact O-N 3.06Å; N304-A306 VanDerWaalsContact C-N 3.35Å; N304-C307 WeakPolarHBondContact O-CB 3.2Å; N304-C307 PolarHBondContact O-N 3.25Å; N304-V308 PolarHBondContact O-N 2.82Å; N304-V308 VanDerWaalsContact O-N 3.17Å
305	L	97.3	Very high	95.4	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-63.3	-41.7	174	178.2	61.1	0	0	0	111.3	Y288 L289 L292 V301 H302 C307 V308 Y309 T321	Y288-L305 HydrophobicContact CD2-CB 4.3Å; Y288-L305 HydrophobicContact CD2-CD1 4.41Å; L289-L305 HydrophobicContact CD2-CD2 3.91Å; L289-L305 HydrophobicContact CG-CD2 4.35Å; L292-L305 HydrophobicContact CD1-CD2 3.85Å; V301-L305 VanDerWaalsContact O-CB 3.27Å; V301-L305 WeakPolarHBondContact O-CB 3.45Å; V301-L305 PolarHBondContact O-N 3.27Å; H302-L305 PolarHBondContact O-N 3.49Å; L305-C307 VanDerWaalsContact C-N 3.31Å; L305-C307 PolarHBondContact O-N 3.24Å; L305-V308 WeakPolarHBondContact O-CB 3.35Å; L305-V308 PolarHBondContact O-N 3.2Å; L305-V308 VanDerWaalsContact O-N 3.08Å; L305-Y309 HydrophobicContact CD1-CE1 4.08Å; L305-Y309 HydrophobicContact CD1-CE2 3.98Å; L305-Y309 HydrophobicContact CD2-CE2 3.98Å; L305-Y309 HydrophobicContact CG-CD2 4.19Å; L305-Y309 HydrophobicContact CG-CE2 3.62Å; L305-Y309 PolarHBondContact O-N 3.12Å; L305-T321 HydrophobicContact CB-CG2 4.39Å; L305-T321 HydrophobicContact CD2-CG2 4.33Å; L305-T321 HydrophobicContact CG-CG2 4.35Å
306	A	97.2	Very high	95.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.9	-39.4	175.3	0	0	0	0	0	112	H302 G303 N304 V308 Y309 Y310 T321 Y322	H302-A306 WeakPolarHBondContact O-CB 3.45Å; H302-A306 PolarHBondContact O-N 3Å; G303-A306 WeakPolarHBondContact O-CB 3.42Å; G303-A306 PolarHBondContact O-N 3.14Å; N304-A306 VanDerWaalsContact C-N 3.35Å; A306-V308 VanDerWaalsContact C-N 3.31Å; A306-V308 PolarHBondContact O-N 3.27Å; A306-Y309 PolarHBondContact O-N 3.17Å; A306-Y310 WeakPolarHBondContact O-CB 3.46Å; A306-Y310 PolarHBondContact O-N 3.35Å; A306-T321 HydrophobicContact CB-CG2 3.86Å; A306-Y322 HydrophobicContact CB-CD1 3.41Å; A306-Y322 VanDerWaalsContact CB-CD1 3.41Å; A306-Y322 HydrophobicContact CB-CD2 3.81Å; A306-Y322 HydrophobicContact CB-CE1 3.37Å; A306-Y322 HydrophobicContact CB-CE2 3.78Å; A306-Y322 HydrophobicContact CB-CG 3.6Å
307	C	96.4	Very high	95.5	Very high	17 Å²	17	42.6 Å²	42.6	12%	0.115	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-39.4	172.4	-60.1	0	0	0	0	112.2	G303 N304 L305 Y310 E311 Y322	G303-C307 PolarHBondContact O-N 3.06Å; G303-C307 PolarHBondContact O-SG 2.62Å; N304-C307 WeakPolarHBondContact O-CB 3.2Å; N304-C307 PolarHBondContact O-N 3.25Å; L305-C307 VanDerWaalsContact C-N 3.31Å; L305-C307 PolarHBondContact O-N 3.24Å; C307-Y310 PolarHBondContact O-N 3.37Å; C307-E311 WeakPolarHBondContact O-CG 3.36Å; C307-E311 PolarHBondContact O-N 3.13Å; C307-Y322 WeakPolarHBondContact CA-OH 3.41Å; C307-Y322 PolarHBondContact N-OH 3.46Å; C307-Y322 VanDerWaalsContact N-OH 3.16Å; C307-Y322 PolarHBondContact SG-OH 3.32Å
308	V	96.6	Very high	95.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.2	-44.5	175.6	174.9	0	0	0	0	110.8	K276 F281 A284 Y288 N304 L305 A306 Y310 E311 Q312	K276-V308 HydrophobicContact CB-CG2 4.26Å; K276-V308 HydrophobicContact CD-CG2 4.17Å; K276-V308 HydrophobicContact CG-CG2 4.02Å; F281-V308 HydrophobicContact CB-CG1 3.74Å; F281-V308 HydrophobicContact CD1-CG1 3.93Å; F281-V308 HydrophobicContact CD1-CG2 4.44Å; F281-V308 HydrophobicContact CG-CG1 4.16Å; A284-V308 HydrophobicContact CB-CG2 4.22Å; Y288-V308 HydrophobicContact CD2-CG2 4.39Å; Y288-V308 HydrophobicContact CE2-CG2 3.96Å; N304-V308 PolarHBondContact O-N 2.82Å; N304-V308 VanDerWaalsContact O-N 3.17Å; L305-V308 WeakPolarHBondContact O-CB 3.35Å; L305-V308 PolarHBondContact O-N 3.2Å; L305-V308 VanDerWaalsContact O-N 3.08Å; A306-V308 VanDerWaalsContact C-N 3.31Å; A306-V308 PolarHBondContact O-N 3.27Å; V308-Y310 VanDerWaalsContact C-N 3.31Å; V308-Y310 PolarHBondContact O-N 2.76Å; V308-E311 PolarHBondContact O-N 2.67Å; V308-Q312 WeakPolarHBondContact O-CG 3.31Å; V308-Q312 PolarHBondContact O-N 2.9Å
309	Y	97.2	Very high	95.7	Very high	34 Å²	34	37.3 Å²	37.3	13%	0.133	20%	0.199	C	C	.	.	H	α-helix	trans	-62.2	-39	176	-68.2	-32.8	0	0	0	112.8	L305 A306 Q312 G313 L314 L317	L305-Y309 HydrophobicContact CD1-CE1 4.08Å; L305-Y309 HydrophobicContact CD1-CE2 3.98Å; L305-Y309 HydrophobicContact CD2-CE2 3.98Å; L305-Y309 HydrophobicContact CG-CD2 4.19Å; L305-Y309 HydrophobicContact CG-CE2 3.62Å; L305-Y309 PolarHBondContact O-N 3.12Å; A306-Y309 PolarHBondContact O-N 3.17Å; Y309-Q312 PolarHBondContact O-N 2.94Å; Y309-G313 PolarHBondContact O-N 2.67Å; Y309-L314 HydrophobicContact CD1-CD1 3.96Å; Y309-L314 WeakPolarHBondContact O-CA 3.48Å; Y309-L314 WeakPolarHBondContact O-CB 3.43Å; Y309-L314 PolarHBondContact O-N 3.34Å; Y309-L317 HydrophobicContact CD2-CB 3.99Å; Y309-L317 HydrophobicContact CE2-CB 4.44Å; Y309-L317 HydrophobicContact CG-CB 4.21Å
310	Y	95.6	Very high	95.8	Very high	61 Å²	61	41.9 Å²	41.9	24%	0.239	22%	0.223	C	C	.	.	H	α-helix	trans	-60.4	-49.5	175.2	-178.9	-94.6	0	0	0	111.4	A306 C307 V308 Q312 G313 I315 N341 A342 E345	A306-Y310 WeakPolarHBondContact O-CB 3.46Å; A306-Y310 PolarHBondContact O-N 3.35Å; C307-Y310 PolarHBondContact O-N 3.37Å; V308-Y310 VanDerWaalsContact C-N 3.31Å; V308-Y310 PolarHBondContact O-N 2.76Å; Y310-Q312 VanDerWaalsContact C-N 3.26Å; Y310-Q312 PolarHBondContact O-N 3.15Å; Y310-G313 PolarHBondContact O-N 3.08Å; Y310-I315 HydrophobicContact CD2-CD1 3.91Å; Y310-I315 HydrophobicContact CE2-CD1 4.12Å; Y310-N341 HydrophobicContact CE2-CB 4.44Å; Y310-A342 HydrophobicContact CD2-CB 3.88Å; Y310-A342 HydrophobicContact CE2-CB 4.07Å; Y310-E345 HydrophobicContact CE2-CG 4.11Å
311	E	92.6	Very high	96	Very high	107 Å²	107	38.9 Å²	38.9	50%	0.5	21%	0.209	S	C	.	.	H	α-helix	trans	-63.6	-28.6	178.3	-69.6	-72.4	168.3	0	0	113.3	F281 C307 V308 G313	F281-E311 HydrophobicContact CE1-CB 3.93Å; F281-E311 HydrophobicContact CE1-CG 4.32Å; F281-E311 HydrophobicContact CE2-CB 4.01Å; F281-E311 HydrophobicContact CZ-CB 3.6Å; F281-E311 HydrophobicContact CZ-CG 4.14Å; C307-E311 WeakPolarHBondContact O-CG 3.36Å; C307-E311 PolarHBondContact O-N 3.13Å; V308-E311 PolarHBondContact O-N 2.67Å; E311-G313 VanDerWaalsContact C-N 3.26Å; E311-G313 PolarHBondContact O-N 3.48Å
312	Q	93	Very high	96	Very high	55 Å²	55	39 Å²	39	26%	0.257	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-4.4	173	-68.9	-176.1	-55.9	0	0	113.6	F281 E282 V308 Y309 Y310 L314	F281-Q312 HydrophobicContact CB-CG 3.72Å; F281-Q312 HydrophobicContact CD2-CG 3.99Å; F281-Q312 HydrophobicContact CG-CG 4.02Å; E282-Q312 PolarHBondContact OE1-NE2 3.13Å; V308-Q312 WeakPolarHBondContact O-CG 3.31Å; V308-Q312 PolarHBondContact O-N 2.9Å; Y309-Q312 PolarHBondContact O-N 2.94Å; Y310-Q312 VanDerWaalsContact C-N 3.26Å; Y310-Q312 PolarHBondContact O-N 3.15Å; Q312-L314 VanDerWaalsContact C-N 3.31Å; Q312-L314 HydrophobicContact CB-CD1 4.26Å; Q312-L314 HydrophobicContact CB-CG 4.23Å
313	G	92	Very high	96	Very high	50 Å²	50	42.5 Å²	42.5	52%	0.515	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	11.9	-176	0	0	0	0	0	114.3	Y309 Y310 E311 I315	Y309-G313 PolarHBondContact O-N 2.67Å; Y310-G313 PolarHBondContact O-N 3.08Å; E311-G313 VanDerWaalsContact C-N 3.26Å; E311-G313 PolarHBondContact O-N 3.48Å; G313-I315 PolarHBondContact O-N 3.48Å
314	L	94.3	Very high	96.1	Very high	77 Å²	77	47.8 Å²	47.8	40%	0.403	24%	0.243	S	C	.	.			trans	-84.4	63.6	177	-62	173.3	0	0	0	110.3	Y309 Q312 D316 L317 A318	Y309-L314 HydrophobicContact CD1-CD1 3.96Å; Y309-L314 WeakPolarHBondContact O-CA 3.48Å; Y309-L314 WeakPolarHBondContact O-CB 3.43Å; Y309-L314 PolarHBondContact O-N 3.34Å; Q312-L314 VanDerWaalsContact C-N 3.31Å; Q312-L314 HydrophobicContact CB-CD1 4.26Å; Q312-L314 HydrophobicContact CB-CG 4.23Å; L314-D316 PolarHBondContact O-N 2.81Å; L314-L317 HydrophobicContact CB-CB 4.27Å; L314-L317 HydrophobicContact CB-CD1 4.2Å; L314-L317 HydrophobicContact CD1-CD1 4.17Å; L314-L317 PolarHBondContact O-N 3.07Å; L314-A318 PolarHBondContact O-N 3.17Å
315	I	94.6	Very high	96.1	Very high	40 Å²	40	46.1 Å²	46.1	21%	0.205	23%	0.234	C	C	.	.	H	α-helix	trans	-60.8	-43.4	-166.8	-53.2	-54.5	0	0	0	113.2	Y310 G313 L317 A318 I319 A342	Y310-I315 HydrophobicContact CD2-CD1 3.91Å; Y310-I315 HydrophobicContact CE2-CD1 4.12Å; G313-I315 PolarHBondContact O-N 3.48Å; I315-L317 PolarHBondContact O-N 3.26Å; I315-A318 WeakPolarHBondContact O-CB 3.4Å; I315-A318 PolarHBondContact O-N 2.66Å; I315-I319 HydrophobicContact CG2-CD1 4.01Å; I315-I319 HydrophobicContact CG2-CG1 4.5Å; I315-I319 WeakPolarHBondContact O-CG1 3.31Å; I315-I319 PolarHBondContact O-N 2.94Å; I315-A342 HydrophobicContact CG2-CB 4.31Å; I315-A342 WeakPolarHBondContact CG2-O 3.48Å
316	D	96	Very high	96.1	Very high	93 Å²	93	47 Å²	47	50%	0.497	24%	0.238	S	C	.	.	H	α-helix	trans	-63.8	-41.8	179.4	-70.3	-46.8	0	0	0	111.8	L314 A318 I319 D320 K346	L314-D316 PolarHBondContact O-N 2.81Å; D316-A318 VanDerWaalsContact C-N 3.34Å; D316-A318 PolarHBondContact O-N 2.64Å; D316-I319 PolarHBondContact O-N 2.94Å; D316-D320 PolarHBondContact O-N 3.13Å; D316-D320 VanDerWaalsContact O-N 3.08Å; D316-K346 IonicContact OD1-NZ 2.85Å; D316-K346 PolarHBondContact OD1-NZ 2.97Å
317	L	95.4	Very high	96.1	Very high	85 Å²	85	53 Å²	53	45%	0.445	27%	0.266	S	S	.	.	H	α-helix	trans	-65.5	-38.4	175.2	-73.4	172	0	0	0	111.6	Y309 L314 I315 T321	Y309-L317 HydrophobicContact CD2-CB 3.99Å; Y309-L317 HydrophobicContact CE2-CB 4.44Å; Y309-L317 HydrophobicContact CG-CB 4.21Å; L314-L317 HydrophobicContact CB-CB 4.27Å; L314-L317 HydrophobicContact CB-CD1 4.2Å; L314-L317 HydrophobicContact CD1-CD1 4.17Å; L314-L317 PolarHBondContact O-N 3.07Å; I315-L317 PolarHBondContact O-N 3.26Å; L317-T321 VanDerWaalsContact O-CB 3.26Å; L317-T321 WeakPolarHBondContact O-CB 3.42Å; L317-T321 PolarHBondContact O-N 3.07Å; L317-T321 PolarHBondContact O-OG1 3.28Å
318	A	97.4	Very high	96	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.9	-48	175	0	0	0	0	0	111	L314 I315 D316 D320 T321 Y322	L314-A318 PolarHBondContact O-N 3.17Å; I315-A318 WeakPolarHBondContact O-CB 3.4Å; I315-A318 PolarHBondContact O-N 2.66Å; D316-A318 VanDerWaalsContact C-N 3.34Å; D316-A318 PolarHBondContact O-N 2.64Å; A318-D320 PolarHBondContact O-N 2.89Å; A318-T321 PolarHBondContact O-N 2.74Å; A318-Y322 HydrophobicContact CB-CD2 4.42Å; A318-Y322 HydrophobicContact CB-CE2 4.15Å; A318-Y322 WeakPolarHBondContact O-CD2 3.17Å; A318-Y322 PolarHBondContact O-N 3.31Å
319	I	97.7	Very high	96	Very high	10 Å²	10	58.3 Å²	58.3	5%	0.051	29%	0.291	C	S	.	.	H	α-helix	trans	-57.6	-51	178.5	-71.4	167.5	0	0	0	111.3	I315 D316 T321 Y322 K323 L339 A342 L343 K346	I315-I319 HydrophobicContact CG2-CD1 4.01Å; I315-I319 HydrophobicContact CG2-CG1 4.5Å; I315-I319 WeakPolarHBondContact O-CG1 3.31Å; I315-I319 PolarHBondContact O-N 2.94Å; D316-I319 PolarHBondContact O-N 2.94Å; I319-T321 VanDerWaalsContact C-N 3.3Å; I319-T321 PolarHBondContact O-N 2.77Å; I319-Y322 PolarHBondContact O-N 3.3Å; I319-K323 HydrophobicContact CG2-CD 4.3Å; I319-K323 WeakPolarHBondContact O-CG 3.5Å; I319-K323 PolarHBondContact O-N 2.72Å; I319-L339 HydrophobicContact CB-CD1 4.23Å; I319-L339 HydrophobicContact CG1-CD1 4.17Å; I319-L339 HydrophobicContact CG2-CD1 3.91Å; I319-A342 HydrophobicContact CD1-CB 4.42Å; I319-A342 HydrophobicContact CG1-CB 3.73Å; I319-L343 HydrophobicContact CD1-CD2 4.11Å; I319-K346 HydrophobicContact CD1-CD 4.13Å
320	D	97.4	Very high	95.9	Very high	103 Å²	103	60.7 Å²	60.7	55%	0.551	31%	0.311	S	S	*	.	H	α-helix	trans	-64.3	-38	-178.6	-72.9	-18.8	0	0	0	111.7	D316 A318 K323 R324	D316-D320 PolarHBondContact O-N 3.13Å; D316-D320 VanDerWaalsContact O-N 3.08Å; A318-D320 PolarHBondContact O-N 2.89Å; D320-K323 PolarHBondContact O-N 2.94Å; D320-R324 PolarHBondContact O-N 3Å
321	T	97.6	Very high	95.9	Very high	19 Å²	19	64 Å²	64	12%	0.117	33%	0.328	C	S	.	.	H	α-helix	trans	-72	-37.3	179.1	-50	0	0	0	0	111.7	H302 L305 A306 L317 A318 I319 R324 A325	H302-T321 HydrophobicContact CB-CG2 4.25Å; H302-T321 VanDerWaalsContact O-CG2 3.26Å; H302-T321 WeakPolarHBondContact O-CG2 3.06Å; L305-T321 HydrophobicContact CB-CG2 4.39Å; L305-T321 HydrophobicContact CD2-CG2 4.33Å; L305-T321 HydrophobicContact CG-CG2 4.35Å; A306-T321 HydrophobicContact CB-CG2 3.86Å; L317-T321 VanDerWaalsContact O-CB 3.26Å; L317-T321 WeakPolarHBondContact O-CB 3.42Å; L317-T321 PolarHBondContact O-N 3.07Å; L317-T321 PolarHBondContact O-OG1 3.28Å; A318-T321 PolarHBondContact O-N 2.74Å; I319-T321 VanDerWaalsContact C-N 3.3Å; I319-T321 PolarHBondContact O-N 2.77Å; T321-R324 WeakPolarHBondContact O-CB 3.36Å; T321-R324 PolarHBondContact O-N 3.26Å; T321-A325 PolarHBondContact O-N 3.43Å
322	Y	97.9	Very high	96	Very high	3 Å²	3	60.1 Å²	60.1	1%	0.012	31%	0.31	C	S	.	.	H	α-helix	trans	-63.5	-44.4	171.7	-77.1	-54.8	0	0	0	111.9	A306 C307 A318 I319 R324 A325 I326 N338 L339	A306-Y322 HydrophobicContact CB-CD1 3.41Å; A306-Y322 VanDerWaalsContact CB-CD1 3.41Å; A306-Y322 HydrophobicContact CB-CD2 3.81Å; A306-Y322 HydrophobicContact CB-CE1 3.37Å; A306-Y322 HydrophobicContact CB-CE2 3.78Å; A306-Y322 HydrophobicContact CB-CG 3.6Å; C307-Y322 WeakPolarHBondContact CA-OH 3.41Å; C307-Y322 PolarHBondContact N-OH 3.46Å; C307-Y322 VanDerWaalsContact N-OH 3.16Å; C307-Y322 PolarHBondContact SG-OH 3.32Å; A318-Y322 HydrophobicContact CB-CD2 4.42Å; A318-Y322 HydrophobicContact CB-CE2 4.15Å; A318-Y322 WeakPolarHBondContact O-CD2 3.17Å; A318-Y322 PolarHBondContact O-N 3.31Å; I319-Y322 PolarHBondContact O-N 3.3Å; Y322-R324 PolarHBondContact O-N 3.38Å; Y322-A325 WeakPolarHBondContact O-CB 3.48Å; Y322-A325 PolarHBondContact O-N 2.69Å; Y322-A325 VanDerWaalsContact O-N 3.1Å; Y322-I326 WeakPolarHBondContact O-CG1 3.35Å; Y322-I326 PolarHBondContact O-N 3.09Å; Y322-N338 HydrophobicContact CD1-CB 4.3Å; Y322-N338 HydrophobicContact CE1-CB 3.54Å; Y322-N338 HydrophobicContact CE2-CB 4.01Å; Y322-N338 WeakPolarHBondContact OH-CB 3.5Å; Y322-L339 HydrophobicContact CD2-CB 4.38Å; Y322-L339 HydrophobicContact CG-CB 4.27Å
323	K	97.7	Very high	96.1	Very high	97 Å²	97	58.7 Å²	58.7	42%	0.422	31%	0.305	S	S	.	.	H	α-helix	trans	-57.5	-41.7	174.7	-74.9	176.9	178.1	177.3	0	111.1	I319 D320 A325 I326 E327 L339	I319-K323 HydrophobicContact CG2-CD 4.3Å; I319-K323 WeakPolarHBondContact O-CG 3.5Å; I319-K323 PolarHBondContact O-N 2.72Å; D320-K323 PolarHBondContact O-N 2.94Å; K323-A325 PolarHBondContact O-N 3.05Å; K323-I326 PolarHBondContact O-N 2.93Å; K323-E327 WeakPolarHBondContact O-CG 3.43Å; K323-E327 PolarHBondContact O-N 3.19Å; K323-L339 HydrophobicContact CG-CD2 4.25Å
324	R	97.1	Very high	96.2	Very high	114 Å²	114	60.2 Å²	60.2	43%	0.43	30%	0.301	S	S	.	.	H	α-helix	trans	-62.8	-40.4	175.6	-173.4	56	175.8	178.5	2.2	112.8	D320 T321 Y322 I326 E327 L328	D320-R324 PolarHBondContact O-N 3Å; T321-R324 WeakPolarHBondContact O-CB 3.36Å; T321-R324 PolarHBondContact O-N 3.26Å; Y322-R324 PolarHBondContact O-N 3.38Å; R324-I326 VanDerWaalsContact C-N 3.32Å; R324-I326 PolarHBondContact O-N 3.38Å; R324-E327 WeakPolarHBondContact CD-OE2 3.43Å; R324-E327 IonicContact CZ-OE2 2.93Å; R324-E327 IonicContact NH1-OE2 3.87Å; R324-E327 PolarHBondContact NH1-OE2 3Å; R324-E327 PolarHBondContact O-N 3.18Å; R324-L328 HydrophobicContact CG-CD1 4.25Å; R324-L328 VanDerWaalsContact O-CG 3.29Å; R324-L328 WeakPolarHBondContact O-CG 3.44Å; R324-L328 PolarHBondContact O-N 3.34Å; R324-L328 VanDerWaalsContact O-N 3.16Å
325	A	97.1	Very high	96.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.3	-43	174.1	0	0	0	0	0	111.6	A299 H302 T321 Y322 K323 L328 Q329 F332	A299-A325 WeakPolarHBondContact O-CB 3.29Å; H302-A325 HydrophobicContact CB-CB 3.78Å; T321-A325 PolarHBondContact O-N 3.43Å; Y322-A325 WeakPolarHBondContact O-CB 3.48Å; Y322-A325 PolarHBondContact O-N 2.69Å; Y322-A325 VanDerWaalsContact O-N 3.1Å; K323-A325 PolarHBondContact O-N 3.05Å; A325-L328 PolarHBondContact O-N 3.05Å; A325-Q329 PolarHBondContact O-N 3.24Å; A325-F332 HydrophobicContact CB-CD1 4.41Å; A325-F332 HydrophobicContact CB-CE1 4.31Å
326	I	96.8	Very high	96.4	Very high	21 Å²	21	56.6 Å²	56.6	11%	0.108	28%	0.28	C	S	.	.	H	α-helix	trans	-68.3	-40.5	178.8	-68	163.1	0	0	0	111.9	Y322 K323 R324 L328 Q329 P330 A335 Y336 L339	Y322-I326 WeakPolarHBondContact O-CG1 3.35Å; Y322-I326 PolarHBondContact O-N 3.09Å; K323-I326 PolarHBondContact O-N 2.93Å; R324-I326 VanDerWaalsContact C-N 3.32Å; R324-I326 PolarHBondContact O-N 3.38Å; I326-L328 VanDerWaalsContact C-N 3.27Å; I326-L328 PolarHBondContact O-N 3.29Å; I326-Q329 CarbonylContact O-C 3.58Å; I326-Q329 PolarHBondContact O-N 3.04Å; I326-P330 VanDerWaalsContact O-CA 3.31Å; I326-P330 WeakPolarHBondContact O-CA 3.49Å; I326-P330 VanDerWaalsContact O-N 3.07Å; I326-A335 HydrophobicContact CD1-CB 4.29Å; I326-A335 HydrophobicContact CG1-CB 3.82Å; I326-Y336 HydrophobicContact CD1-CD1 3.82Å; I326-Y336 HydrophobicContact CD1-CD2 4.42Å; I326-Y336 HydrophobicContact CD1-CE1 3.94Å; I326-Y336 HydrophobicContact CD1-CG 4.09Å; I326-Y336 HydrophobicContact CG1-CD2 4.43Å; I326-Y336 HydrophobicContact CG1-CE1 4.4Å; I326-Y336 HydrophobicContact CG1-CE2 4.24Å; I326-Y336 HydrophobicContact CG2-CE1 3.83Å; I326-Y336 HydrophobicContact CG2-CE2 4.06Å; I326-Y336 VanDerWaalsContact CG2-CZ 3.44Å; I326-Y336 VanDerWaalsContact CG2-OH 3.23Å; I326-Y336 WeakPolarHBondContact CG2-OH 3.4Å; I326-L339 HydrophobicContact CD1-CD2 3.75Å
327	E	96.9	Very high	96.5	Very high	126 Å²	126	52.3 Å²	52.3	59%	0.589	26%	0.258	S	S	*	.	H	α-helix	trans	-58.7	-40.5	174.3	-76.8	175.4	-176.7	0	0	112	K323 R324	K323-E327 WeakPolarHBondContact O-CG 3.43Å; K323-E327 PolarHBondContact O-N 3.19Å; R324-E327 WeakPolarHBondContact CD-OE2 3.43Å; R324-E327 IonicContact CZ-OE2 2.93Å; R324-E327 IonicContact NH1-OE2 3.87Å; R324-E327 PolarHBondContact NH1-OE2 3Å; R324-E327 PolarHBondContact O-N 3.18Å
328	L	96.1	Very high	96.5	Very high	55 Å²	55	50.6 Å²	50.6	29%	0.288	25%	0.249	S	C	.	.	H	α-helix	trans	-75.3	-33.7	179	-68.4	169.1	0	0	0	112	A299 H302 R324 A325 I326	A299-L328 HydrophobicContact CB-CB 3.79Å; H302-L328 WeakPolarHBondContact CD2-CD1 3.42Å; R324-L328 HydrophobicContact CG-CD1 4.25Å; R324-L328 VanDerWaalsContact O-CG 3.29Å; R324-L328 WeakPolarHBondContact O-CG 3.44Å; R324-L328 PolarHBondContact O-N 3.34Å; R324-L328 VanDerWaalsContact O-N 3.16Å; A325-L328 PolarHBondContact O-N 3.05Å; I326-L328 VanDerWaalsContact C-N 3.27Å; I326-L328 PolarHBondContact O-N 3.29Å
329	Q	96	Very high	96.5	Very high	74 Å²	74	51 Å²	51	35%	0.346	25%	0.251	S	S	.	.			trans	-139.7	92.6	178.6	-174.3	177.2	-18.7	0	0	110.8	A299 A325 I326 H331 F332	A299-Q329 HydrophobicContact CB-CB 3.52Å; A325-Q329 PolarHBondContact O-N 3.24Å; I326-Q329 CarbonylContact O-C 3.58Å; I326-Q329 PolarHBondContact O-N 3.04Å; Q329-H331 PolarHBondContact NE2-O 2.9Å; Q329-H331 PolarHBondContact O-N 3.47Å; Q329-F332 HydrophobicContact CG-CB 4.28Å; Q329-F332 WeakPolarHBondContact O-CB 3.48Å
330	P	95.2	Very high	96.5	Very high	85 Å²	85	50.6 Å²	50.6	55%	0.552	25%	0.249	S	C	*	.	S	Bend	trans	-64.7	-22.8	-177.7	-27.3	36.2	0	0	0	114.8	I326 F332 Y336	I326-P330 VanDerWaalsContact O-CA 3.31Å; I326-P330 WeakPolarHBondContact O-CA 3.49Å; I326-P330 VanDerWaalsContact O-N 3.07Å; P330-F332 PolarHBondContact O-N 3.39Å; P330-Y336 WeakPolarHBondContact O-CE2 3.4Å; P330-Y336 PolarHBondContact O-OH 2.87Å
331	H	95.2	Very high	96.4	Very high	131 Å²	131	47.2 Å²	47.2	61%	0.606	23%	0.231	S	C	*	.			trans	-96	69.5	177.4	-130.7	82.1	0	0	0	109.7	Q329 L362	Q329-H331 PolarHBondContact NE2-O 2.9Å; Q329-H331 PolarHBondContact O-N 3.47Å; H331-L362 VanDerWaalsContact CE1-CD2 3.41Å; H331-L362 WeakPolarHBondContact CE1-CD2 3.34Å; H331-L362 WeakPolarHBondContact ND1-CD2 3.33Å
332	F	94.9	Very high	96.4	Very high	25 Å²	25	46.3 Å²	46.3	11%	0.11	23%	0.225	C	C	.	.			trans	-139	78.4	-175.7	-165.6	179.3	0	0	0	112.6	I300 A325 Q329 P330 D334 A335 Y336	I300-F332 HydrophobicContact CG1-CZ 4.44Å; A325-F332 HydrophobicContact CB-CD1 4.41Å; A325-F332 HydrophobicContact CB-CE1 4.31Å; Q329-F332 HydrophobicContact CG-CB 4.28Å; Q329-F332 WeakPolarHBondContact O-CB 3.48Å; P330-F332 PolarHBondContact O-N 3.39Å; F332-D334 HydrophobicContact CD2-CB 4.31Å; F332-D334 HydrophobicContact CE2-CB 3.94Å; F332-D334 PolarHBondContact O-N 2.81Å; F332-A335 HydrophobicContact CB-CB 4.16Å; F332-A335 HydrophobicContact CD1-CB 3.54Å; F332-A335 HydrophobicContact CD2-CB 4.09Å; F332-A335 HydrophobicContact CE1-CB 3.89Å; F332-A335 HydrophobicContact CE2-CB 4.41Å; F332-A335 HydrophobicContact CG-CB 3.64Å; F332-A335 HydrophobicContact CZ-CB 4.31Å; F332-A335 PolarHBondContact O-N 2.91Å; F332-A335 VanDerWaalsContact O-N 3.13Å; F332-Y336 VanDerWaalsContact O-CD2 3.23Å; F332-Y336 WeakPolarHBondContact O-CD2 3.44Å; F332-Y336 PolarHBondContact O-N 2.86Å
333	P	94.4	Very high	96.3	Very high	25 Å²	25	46.7 Å²	46.7	16%	0.162	23%	0.228	C	C	.	.	H	α-helix	trans	-53.1	-46.3	-174	-25.6	33.1	0	0	0	114.7	A335 Y336 C337 L362 C363	P333-A335 VanDerWaalsContact C-N 3.26Å; P333-A335 PolarHBondContact O-N 2.96Å; P333-Y336 PolarHBondContact O-N 3.39Å; P333-Y336 VanDerWaalsContact O-N 3.1Å; P333-C337 PolarHBondContact O-N 2.96Å; P333-L362 HydrophobicContact CG-CB 3.89Å; P333-C363 HydrophobicContact CB-CB 4.07Å; P333-C363 HydrophobicContact CG-CB 3.76Å
334	D	94.4	Very high	96.1	Very high	81 Å²	81	44.7 Å²	44.7	43%	0.433	22%	0.219	S	C	.	.	H	α-helix	trans	-59.6	-36.4	-179.2	-53.7	-8.5	0	0	0	112.2	F332 C337 N338 H366	F332-D334 HydrophobicContact CD2-CB 4.31Å; F332-D334 HydrophobicContact CE2-CB 3.94Å; F332-D334 PolarHBondContact O-N 2.81Å; D334-C337 PolarHBondContact O-N 3.32Å; D334-N338 WeakPolarHBondContact O-CB 3.47Å; D334-N338 VanDerWaalsContact O-CG 3.28Å; D334-N338 PolarHBondContact O-N 3.19Å; D334-N338 PolarHBondContact O-ND2 3.36Å; D334-H366 IonicContact OD1-CD2 2.96Å; D334-H366 IonicContact OD1-NE2 3.36Å; D334-H366 PolarHBondContact OD1-NE2 2.99Å; D334-H366 VanDerWaalsContact OD1-NE2 3.09Å
335	A	95.3	Very high	95.8	Very high	2 Å²	2	45.2 Å²	45.2	2%	0.017	23%	0.226	C	C	.	.	H	α-helix	trans	-68.6	-38.2	178.1	0	0	0	0	0	111.6	I326 F332 P333 L339	I326-A335 HydrophobicContact CD1-CB 4.29Å; I326-A335 HydrophobicContact CG1-CB 3.82Å; F332-A335 HydrophobicContact CB-CB 4.16Å; F332-A335 HydrophobicContact CD1-CB 3.54Å; F332-A335 HydrophobicContact CD2-CB 4.09Å; F332-A335 HydrophobicContact CE1-CB 3.89Å; F332-A335 HydrophobicContact CE2-CB 4.41Å; F332-A335 HydrophobicContact CG-CB 3.64Å; F332-A335 HydrophobicContact CZ-CB 4.31Å; F332-A335 PolarHBondContact O-N 2.91Å; F332-A335 VanDerWaalsContact O-N 3.13Å; P333-A335 VanDerWaalsContact C-N 3.26Å; P333-A335 PolarHBondContact O-N 2.96Å; A335-L339 WeakPolarHBondContact O-CB 3.41Å; A335-L339 PolarHBondContact O-N 2.95Å
336	Y	97.7	Very high	95.6	Very high	39 Å²	39	50.1 Å²	50.1	15%	0.153	25%	0.248	C	C	.	.	H	α-helix	trans	-67.1	-43.3	172.9	-72.4	-81.4	0	0	0	112	I326 P330 F332 P333 L339 A340 T358 L362	I326-Y336 HydrophobicContact CD1-CD1 3.82Å; I326-Y336 HydrophobicContact CD1-CD2 4.42Å; I326-Y336 HydrophobicContact CD1-CE1 3.94Å; I326-Y336 HydrophobicContact CD1-CG 4.09Å; I326-Y336 HydrophobicContact CG1-CD2 4.43Å; I326-Y336 HydrophobicContact CG1-CE1 4.4Å; I326-Y336 HydrophobicContact CG1-CE2 4.24Å; I326-Y336 HydrophobicContact CG2-CE1 3.83Å; I326-Y336 HydrophobicContact CG2-CE2 4.06Å; I326-Y336 VanDerWaalsContact CG2-CZ 3.44Å; I326-Y336 VanDerWaalsContact CG2-OH 3.23Å; I326-Y336 WeakPolarHBondContact CG2-OH 3.4Å; P330-Y336 WeakPolarHBondContact O-CE2 3.4Å; P330-Y336 PolarHBondContact O-OH 2.87Å; F332-Y336 VanDerWaalsContact O-CD2 3.23Å; F332-Y336 WeakPolarHBondContact O-CD2 3.44Å; F332-Y336 PolarHBondContact O-N 2.86Å; P333-Y336 PolarHBondContact O-N 3.39Å; P333-Y336 VanDerWaalsContact O-N 3.1Å; Y336-L339 PolarHBondContact O-N 3.45Å; Y336-A340 WeakPolarHBondContact O-CB 3.47Å; Y336-A340 PolarHBondContact O-N 2.88Å; Y336-T358 HydrophobicContact CD1-CG2 3.79Å; Y336-T358 HydrophobicContact CD2-CG2 4.33Å; Y336-T358 HydrophobicContact CE1-CG2 3.54Å; Y336-T358 HydrophobicContact CE2-CG2 4.14Å; Y336-T358 HydrophobicContact CG-CG2 4.17Å; Y336-L362 HydrophobicContact CD2-CD1 3.62Å; Y336-L362 HydrophobicContact CE2-CD1 3.39Å
337	C	97.5	Very high	95.3	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.02	28%	0.275	C	S	.	.	H	α-helix	trans	-59.7	-47.7	176.6	-177.4	0	0	0	0	111.4	P333 D334 A340 N341 S369	P333-C337 PolarHBondContact O-N 2.96Å; D334-C337 PolarHBondContact O-N 3.32Å; C337-A340 WeakPolarHBondContact O-CB 3.32Å; C337-A340 PolarHBondContact O-N 3.06Å; C337-N341 PolarHBondContact O-N 3.3Å; C337-S369 WeakPolarHBondContact CB-OG 3.45Å
338	N	96.7	Very high	95.1	Very high	50 Å²	50	50.6 Å²	50.6	27%	0.267	26%	0.262	S	S	.	.	H	α-helix	trans	-72	-33.6	-179.6	-69.1	-43.9	0	0	0	113	Y322 D334 A340 N341 A342	Y322-N338 HydrophobicContact CD1-CB 4.3Å; Y322-N338 HydrophobicContact CE1-CB 3.54Å; Y322-N338 HydrophobicContact CE2-CB 4.01Å; Y322-N338 WeakPolarHBondContact OH-CB 3.5Å; D334-N338 WeakPolarHBondContact O-CB 3.47Å; D334-N338 VanDerWaalsContact O-CG 3.28Å; D334-N338 PolarHBondContact O-N 3.19Å; D334-N338 PolarHBondContact O-ND2 3.36Å; N338-A340 VanDerWaalsContact C-N 3.3Å; N338-A340 PolarHBondContact O-N 2.8Å; N338-N341 WeakPolarHBondContact O-CB 2.91Å; N338-N341 PolarHBondContact O-N 2.68Å; N338-A342 PolarHBondContact O-N 3.2Å; N338-A342 VanDerWaalsContact O-N 3.09Å
339	L	97.7	Very high	95	Very high	9 Å²	9	50.2 Å²	50.2	5%	0.047	26%	0.262	C	S	.	.	H	α-helix	trans	-59.9	-43.3	168.6	175.1	59.1	0	0	0	110.9	I319 Y322 K323 I326 A335 Y336 N341 A342 L343	I319-L339 HydrophobicContact CB-CD1 4.23Å; I319-L339 HydrophobicContact CG1-CD1 4.17Å; I319-L339 HydrophobicContact CG2-CD1 3.91Å; Y322-L339 HydrophobicContact CD2-CB 4.38Å; Y322-L339 HydrophobicContact CG-CB 4.27Å; K323-L339 HydrophobicContact CG-CD2 4.25Å; I326-L339 HydrophobicContact CD1-CD2 3.75Å; A335-L339 WeakPolarHBondContact O-CB 3.41Å; A335-L339 PolarHBondContact O-N 2.95Å; Y336-L339 PolarHBondContact O-N 3.45Å; L339-N341 VanDerWaalsContact C-N 3.35Å; L339-N341 PolarHBondContact O-N 3.13Å; L339-A342 PolarHBondContact O-N 2.92Å; L339-L343 HydrophobicContact CD1-CD1 4.1Å; L339-L343 HydrophobicContact CD1-CG 4.09Å; L339-L343 HydrophobicContact CG-CD1 3.88Å; L339-L343 HydrophobicContact CG-CG 4.33Å; L339-L343 VanDerWaalsContact O-CG 3.3Å; L339-L343 WeakPolarHBondContact O-CG 3.27Å; L339-L343 PolarHBondContact O-N 2.88Å
340	A	97.1	Very high	94.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.5	-41.2	177.1	0	0	0	0	0	112.3	Y336 C337 N338 A342 L343 K344 A352 C355 Y356	Y336-A340 WeakPolarHBondContact O-CB 3.47Å; Y336-A340 PolarHBondContact O-N 2.88Å; C337-A340 WeakPolarHBondContact O-CB 3.32Å; C337-A340 PolarHBondContact O-N 3.06Å; N338-A340 VanDerWaalsContact C-N 3.3Å; N338-A340 PolarHBondContact O-N 2.8Å; A340-A342 PolarHBondContact O-N 2.87Å; A340-L343 PolarHBondContact O-N 3.32Å; A340-K344 WeakPolarHBondContact O-CB 3.32Å; A340-K344 PolarHBondContact O-N 3.2Å; A340-A352 HydrophobicContact CB-CB 4.28Å; A340-A352 VanDerWaalsContact CB-O 3.31Å; A340-A352 WeakPolarHBondContact CB-O 3.49Å; A340-A352 WeakPolarHBondContact O-CB 3.13Å; A340-C355 HydrophobicContact CB-CB 3.63Å; A340-Y356 HydrophobicContact CB-CD1 3.72Å; A340-Y356 HydrophobicContact CB-CD2 3.78Å; A340-Y356 HydrophobicContact CB-CE1 3.47Å; A340-Y356 VanDerWaalsContact CB-CE1 3.47Å; A340-Y356 HydrophobicContact CB-CE2 3.53Å; A340-Y356 HydrophobicContact CB-CG 3.85Å
341	N	95.6	Very high	94.9	Very high	32 Å²	32	50.6 Å²	50.6	17%	0.171	27%	0.265	C	S	.	.	H	α-helix	trans	-56.7	-48.8	172.4	-69.7	-34.8	0	0	0	111.1	Y310 C337 N338 L339 L343 K344 E345 Y356 N372	Y310-N341 HydrophobicContact CE2-CB 4.44Å; C337-N341 PolarHBondContact O-N 3.3Å; N338-N341 WeakPolarHBondContact O-CB 2.91Å; N338-N341 PolarHBondContact O-N 2.68Å; L339-N341 VanDerWaalsContact C-N 3.35Å; L339-N341 PolarHBondContact O-N 3.13Å; N341-L343 PolarHBondContact O-N 2.91Å; N341-K344 PolarHBondContact O-N 3.45Å; N341-E345 PolarHBondContact O-N 2.96Å; N341-E345 VanDerWaalsContact O-N 3.07Å; N341-Y356 PolarHBondContact N-OH 2.86Å; N341-Y356 PolarHBondContact OD1-OH 3.01Å; N341-N372 PolarHBondContact OD1-ND2 3.18Å
342	A	96.5	Very high	95	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.1	-38.3	178.5	0	0	0	0	0	113.5	Y310 I315 I319 N338 L339 A340 K346	Y310-A342 HydrophobicContact CD2-CB 3.88Å; Y310-A342 HydrophobicContact CE2-CB 4.07Å; I315-A342 HydrophobicContact CG2-CB 4.31Å; I315-A342 WeakPolarHBondContact CG2-O 3.48Å; I319-A342 HydrophobicContact CD1-CB 4.42Å; I319-A342 HydrophobicContact CG1-CB 3.73Å; N338-A342 PolarHBondContact O-N 3.2Å; N338-A342 VanDerWaalsContact O-N 3.09Å; L339-A342 PolarHBondContact O-N 2.92Å; A340-A342 PolarHBondContact O-N 2.87Å; A342-K346 PolarHBondContact O-N 3.27Å
343	L	97	Very high	95.1	Very high	12 Å²	12	45.1 Å²	45.1	6%	0.063	24%	0.24	C	C	.	.	H	α-helix	trans	-66.4	-40.5	174.8	-70.8	169.1	0	0	0	111.7	I319 L339 A340 N341 K346 S347 L348 E351 A352	I319-L343 HydrophobicContact CD1-CD2 4.11Å; L339-L343 HydrophobicContact CD1-CD1 4.1Å; L339-L343 HydrophobicContact CD1-CG 4.09Å; L339-L343 HydrophobicContact CG-CD1 3.88Å; L339-L343 HydrophobicContact CG-CG 4.33Å; L339-L343 VanDerWaalsContact O-CG 3.3Å; L339-L343 WeakPolarHBondContact O-CG 3.27Å; L339-L343 PolarHBondContact O-N 2.88Å; A340-L343 PolarHBondContact O-N 3.32Å; N341-L343 PolarHBondContact O-N 2.91Å; L343-K346 CarbonylContact O-C 3.08Å; L343-K346 WeakPolarHBondContact O-CA 3.38Å; L343-K346 PolarHBondContact O-N 3.49Å; L343-K346 VanDerWaalsContact O-N 3.08Å; L343-S347 PolarHBondContact O-N 3.5Å; L343-L348 HydrophobicContact CB-CB 4.27Å; L343-L348 HydrophobicContact CD2-CB 4.28Å; L343-L348 HydrophobicContact CD2-CD1 3.8Å; L343-L348 WeakPolarHBondContact O-CB 3.49Å; L343-L348 PolarHBondContact O-N 2.9Å; L343-E351 HydrophobicContact CD1-CB 4.02Å; L343-A352 HydrophobicContact CB-CB 3.97Å
344	K	92.7	Very high	95.2	Very high	55 Å²	55	50.1 Å²	50.1	24%	0.239	26%	0.261	C	S	.	.	H	α-helix	trans	-61.1	-44.3	175.9	-175.3	-179.4	-173.3	-79.5	0	111.6	A340 N341 K346 S347 A352 I376 E379	A340-K344 WeakPolarHBondContact O-CB 3.32Å; A340-K344 PolarHBondContact O-N 3.2Å; N341-K344 PolarHBondContact O-N 3.45Å; K344-K346 PolarHBondContact O-N 3.03Å; K344-S347 WeakPolarHBondContact O-CA 3.46Å; K344-S347 PolarHBondContact O-N 3.47Å; K344-A352 HydrophobicContact CB-CB 4.2Å; K344-I376 HydrophobicContact CD-CD1 4.32Å; K344-I376 HydrophobicContact CD-CG1 4.05Å; K344-E379 VanDerWaalsContact CE-OE2 3.3Å; K344-E379 WeakPolarHBondContact CE-OE2 3.41Å; K344-E379 IonicContact NZ-OE1 3.84Å; K344-E379 PolarHBondContact NZ-OE1 3.17Å; K344-E379 IonicContact NZ-OE2 2.97Å; K344-E379 PolarHBondContact NZ-OE2 2.97Å
345	E	90.7	Very high	95.3	Very high	125 Å²	125	47.1 Å²	47.1	58%	0.584	25%	0.247	S	C	*	.	H	α-helix	trans	-58.8	-32.1	174.3	-75.2	-63.9	148.1	0	0	112.1	Y310 N341 S347	Y310-E345 HydrophobicContact CE2-CG 4.11Å; N341-E345 PolarHBondContact O-N 2.96Å; N341-E345 VanDerWaalsContact O-N 3.07Å; E345-S347 PolarHBondContact O-N 2.93Å
346	K	92.9	Very high	95.4	Very high	102 Å²	102	47 Å²	47	44%	0.443	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	7.4	174.1	-155.2	175.2	173.2	168.5	0	113.8	D316 I319 A342 L343 K344 L348	D316-K346 IonicContact OD1-NZ 2.85Å; D316-K346 PolarHBondContact OD1-NZ 2.97Å; I319-K346 HydrophobicContact CD1-CD 4.13Å; A342-K346 PolarHBondContact O-N 3.27Å; L343-K346 CarbonylContact O-C 3.08Å; L343-K346 WeakPolarHBondContact O-CA 3.38Å; L343-K346 PolarHBondContact O-N 3.49Å; L343-K346 VanDerWaalsContact O-N 3.08Å; K344-K346 PolarHBondContact O-N 3.03Å; K346-L348 HydrophobicContact CB-CD1 4.39Å; K346-L348 HydrophobicContact CB-CG 4.32Å; K346-L348 HydrophobicContact CD-CD1 4.01Å; K346-L348 HydrophobicContact CG-CD1 4.38Å; K346-L348 HydrophobicContact CG-CG 4.48Å; K346-L348 PolarHBondContact O-N 3.25Å
347	S	90.6	Very high	95.4	Very high	98 Å²	98	48.3 Å²	48.3	69%	0.685	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	19.3	-174.8	-52.2	0	0	0	0	114.6	L343 K344 E345 V349	L343-S347 PolarHBondContact O-N 3.5Å; K344-S347 WeakPolarHBondContact O-CA 3.46Å; K344-S347 PolarHBondContact O-N 3.47Å; E345-S347 PolarHBondContact O-N 2.93Å; S347-V349 VanDerWaalsContact C-N 3.3Å; S347-V349 PolarHBondContact O-N 3.01Å
348	L	93.8	Very high	95.3	Very high	60 Å²	60	50.7 Å²	50.7	31%	0.314	27%	0.27	S	S	.	.			trans	-89.1	68.4	173.8	-63	176.9	0	0	0	109.5	L343 K346 E351 A352	L343-L348 HydrophobicContact CB-CB 4.27Å; L343-L348 HydrophobicContact CD2-CB 4.28Å; L343-L348 HydrophobicContact CD2-CD1 3.8Å; L343-L348 WeakPolarHBondContact O-CB 3.49Å; L343-L348 PolarHBondContact O-N 2.9Å; K346-L348 HydrophobicContact CB-CD1 4.39Å; K346-L348 HydrophobicContact CB-CG 4.32Å; K346-L348 HydrophobicContact CD-CD1 4.01Å; K346-L348 HydrophobicContact CG-CD1 4.38Å; K346-L348 HydrophobicContact CG-CG 4.48Å; K346-L348 PolarHBondContact O-N 3.25Å; L348-E351 HydrophobicContact CB-CB 4.43Å; L348-A352 WeakPolarHBondContact O-CB 3.39Å; L348-A352 PolarHBondContact O-N 3.06Å
349	V	92.9	Very high	95.3	Very high	46 Å²	46	48.3 Å²	48.3	28%	0.279	26%	0.257	S	S	.	.	H	α-helix	trans	-68.9	-39.4	-168.6	-178.9	0	0	0	0	112.2	S347 A352 E353 I376	S347-V349 VanDerWaalsContact C-N 3.3Å; S347-V349 PolarHBondContact O-N 3.01Å; V349-A352 PolarHBondContact O-N 3.19Å; V349-E353 PolarHBondContact O-N 3.05Å; V349-I376 HydrophobicContact CG1-CD1 4.29Å; V349-I376 HydrophobicContact CG1-CG1 4.49Å; V349-I376 HydrophobicContact CG1-CG2 3.74Å
350	S	94.3	Very high	95.3	Very high	82 Å²	82	49 Å²	49	57%	0.573	26%	0.26	S	S	*	.	H	α-helix	trans	-64.6	-44.4	179.8	-62.6	0	0	0	0	111.4	E353 E354	S350-E353 WeakPolarHBondContact O-CB 3.47Å; S350-E353 PolarHBondContact O-N 3.09Å; S350-E354 PolarHBondContact O-N 2.89Å
351	E	95.5	Very high	95.2	Very high	85 Å²	85	54.4 Å²	54.4	40%	0.397	29%	0.294	S	S	.	.	H	α-helix	trans	-68.8	-35	177.6	-61.1	90.9	151.7	0	0	111.8	L343 L348 E354 C355	L343-E351 HydrophobicContact CD1-CB 4.02Å; L348-E351 HydrophobicContact CB-CB 4.43Å; E351-E354 PolarHBondContact O-N 3.2Å; E351-C355 PolarHBondContact O-N 3.29Å; E351-C355 VanDerWaalsContact O-N 3.08Å; E351-C355 PolarHBondContact O-SG 3.22Å
352	A	96.7	Very high	95.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.2	-43.8	172.2	0	0	0	0	0	111.4	A340 L343 K344 L348 V349 C355 Y356 I376	A340-A352 HydrophobicContact CB-CB 4.28Å; A340-A352 VanDerWaalsContact CB-O 3.31Å; A340-A352 WeakPolarHBondContact CB-O 3.49Å; A340-A352 WeakPolarHBondContact O-CB 3.13Å; L343-A352 HydrophobicContact CB-CB 3.97Å; K344-A352 HydrophobicContact CB-CB 4.2Å; L348-A352 WeakPolarHBondContact O-CB 3.39Å; L348-A352 PolarHBondContact O-N 3.06Å; V349-A352 PolarHBondContact O-N 3.19Å; A352-C355 WeakPolarHBondContact O-CB 3.49Å; A352-C355 PolarHBondContact O-N 3.01Å; A352-Y356 HydrophobicContact CB-CE2 4.39Å; A352-Y356 WeakPolarHBondContact O-CD2 3.34Å; A352-Y356 PolarHBondContact O-N 3.49Å; A352-I376 HydrophobicContact CB-CD1 4.04Å
353	E	96.3	Very high	95.2	Very high	41 Å²	41	56.6 Å²	56.6	19%	0.192	31%	0.308	C	S	.	.	H	α-helix	trans	-61.8	-44.2	176.8	-179.4	171.1	165	0	0	112.3	V349 S350 C355 Y356 N357 L373 K377 Q380	V349-E353 PolarHBondContact O-N 3.05Å; S350-E353 WeakPolarHBondContact O-CB 3.47Å; S350-E353 PolarHBondContact O-N 3.09Å; E353-C355 VanDerWaalsContact C-N 3.28Å; E353-C355 PolarHBondContact O-N 3.18Å; E353-Y356 PolarHBondContact O-N 3.02Å; E353-N357 WeakPolarHBondContact O-CB 3.21Å; E353-N357 PolarHBondContact O-N 2.81Å; E353-N357 PolarHBondContact O-ND2 2.96Å; E353-N357 VanDerWaalsContact O-ND2 3.11Å; E353-L373 HydrophobicContact CG-CD1 3.85Å; E353-K377 WeakPolarHBondContact OE1-CE 3.21Å; E353-K377 IonicContact OE1-NZ 2.67Å; E353-K377 PolarHBondContact OE1-NZ 2.9Å; E353-K377 IonicContact OE2-NZ 3.69Å; E353-K377 PolarHBondContact OE2-NZ 3.42Å; E353-Q380 PolarHBondContact OE2-NE2 2.89Å; E353-Q380 VanDerWaalsContact OE2-NE2 3.16Å
354	E	96.6	Very high	95.1	Very high	131 Å²	131	59.8 Å²	59.8	61%	0.612	33%	0.329	S	S	*	.	H	α-helix	trans	-58.1	-41.2	173.6	-72.2	179.5	-174.6	0	0	112.1	S350 E351 N357 T358	S350-E354 PolarHBondContact O-N 2.89Å; E351-E354 PolarHBondContact O-N 3.2Å; E354-N357 PolarHBondContact O-N 2.78Å; E354-T358 WeakPolarHBondContact O-CB 3.29Å; E354-T358 PolarHBondContact O-N 3.47Å; E354-T358 PolarHBondContact O-OG1 2.83Å
355	C	97	Very high	95.1	Very high	18 Å²	18	63.1 Å²	63.1	12%	0.122	35%	0.345	C	S	.	.	H	α-helix	trans	-66.5	-43.1	177.1	-70	0	0	0	0	112	A340 E351 A352 E353 T358 A359	A340-C355 HydrophobicContact CB-CB 3.63Å; E351-C355 PolarHBondContact O-N 3.29Å; E351-C355 VanDerWaalsContact O-N 3.08Å; E351-C355 PolarHBondContact O-SG 3.22Å; A352-C355 WeakPolarHBondContact O-CB 3.49Å; A352-C355 PolarHBondContact O-N 3.01Å; E353-C355 VanDerWaalsContact C-N 3.28Å; E353-C355 PolarHBondContact O-N 3.18Å; C355-T358 PolarHBondContact O-N 2.8Å; C355-A359 PolarHBondContact O-N 2.96Å
356	Y	97.2	Very high	95.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-61.8	-44.5	173.8	-71.4	-55.6	0	0	0	112.3	A340 N341 A352 E353 T358 A359 L360 N372 L373 I376	A340-Y356 HydrophobicContact CB-CD1 3.72Å; A340-Y356 HydrophobicContact CB-CD2 3.78Å; A340-Y356 HydrophobicContact CB-CE1 3.47Å; A340-Y356 VanDerWaalsContact CB-CE1 3.47Å; A340-Y356 HydrophobicContact CB-CE2 3.53Å; A340-Y356 HydrophobicContact CB-CG 3.85Å; N341-Y356 PolarHBondContact N-OH 2.86Å; N341-Y356 PolarHBondContact OD1-OH 3.01Å; A352-Y356 HydrophobicContact CB-CE2 4.39Å; A352-Y356 WeakPolarHBondContact O-CD2 3.34Å; A352-Y356 PolarHBondContact O-N 3.49Å; E353-Y356 PolarHBondContact O-N 3.02Å; Y356-T358 VanDerWaalsContact C-N 3.27Å; Y356-T358 PolarHBondContact O-N 2.98Å; Y356-A359 WeakPolarHBondContact O-CB 3.48Å; Y356-A359 PolarHBondContact O-N 2.91Å; Y356-L360 VanDerWaalsContact O-CG 3.31Å; Y356-L360 WeakPolarHBondContact O-CG 3.35Å; Y356-L360 PolarHBondContact O-N 3.08Å; Y356-N372 HydrophobicContact CD1-CB 4.37Å; Y356-N372 HydrophobicContact CE1-CB 3.51Å; Y356-N372 HydrophobicContact CE2-CB 4.24Å; Y356-N372 VanDerWaalsContact CZ-CB 3.45Å; Y356-N372 WeakPolarHBondContact OH-CB 3.35Å; Y356-L373 HydrophobicContact CD2-CB 4.42Å; Y356-L373 HydrophobicContact CD2-CD1 4.41Å; Y356-L373 HydrophobicContact CG-CB 4.32Å; Y356-I376 HydrophobicContact CD2-CD1 3.97Å; Y356-I376 HydrophobicContact CE2-CD1 3.61Å
357	N	97.2	Very high	95.4	Very high	66 Å²	66	53.9 Å²	53.9	35%	0.353	31%	0.306	S	S	.	.	H	α-helix	trans	-62.7	-36.9	177.5	-75.5	-40.1	0	0	0	111.7	E353 E354 L360 T361	E353-N357 WeakPolarHBondContact O-CB 3.21Å; E353-N357 PolarHBondContact O-N 2.81Å; E353-N357 PolarHBondContact O-ND2 2.96Å; E353-N357 VanDerWaalsContact O-ND2 3.11Å; E354-N357 PolarHBondContact O-N 2.78Å; N357-L360 PolarHBondContact O-N 2.97Å; N357-T361 WeakPolarHBondContact O-CB 3.28Å; N357-T361 PolarHBondContact O-N 3.02Å; N357-T361 PolarHBondContact O-OG1 3.39Å
358	T	97.1	Very high	95.7	Very high	52 Å²	52	53 Å²	53	32%	0.319	29%	0.294	S	S	.	.	H	α-helix	trans	-65.4	-46.2	173.8	-55.7	0	0	0	0	110.8	Y336 E354 C355 Y356 L360 T361 L362	Y336-T358 HydrophobicContact CD1-CG2 3.79Å; Y336-T358 HydrophobicContact CD2-CG2 4.33Å; Y336-T358 HydrophobicContact CE1-CG2 3.54Å; Y336-T358 HydrophobicContact CE2-CG2 4.14Å; Y336-T358 HydrophobicContact CG-CG2 4.17Å; E354-T358 WeakPolarHBondContact O-CB 3.29Å; E354-T358 PolarHBondContact O-N 3.47Å; E354-T358 PolarHBondContact O-OG1 2.83Å; C355-T358 PolarHBondContact O-N 2.8Å; Y356-T358 VanDerWaalsContact C-N 3.27Å; Y356-T358 PolarHBondContact O-N 2.98Å; T358-L360 VanDerWaalsContact C-N 3.28Å; T358-L360 PolarHBondContact O-N 3.35Å; T358-T361 WeakPolarHBondContact O-CB 3.1Å; T358-T361 PolarHBondContact O-N 3.39Å; T358-T361 VanDerWaalsContact O-N 3.15Å; T358-L362 HydrophobicContact CG2-CD1 4.29Å; T358-L362 VanDerWaalsContact O-CG 3.29Å; T358-L362 WeakPolarHBondContact O-CG 3.4Å; T358-L362 PolarHBondContact O-N 2.99Å
359	A	96.5	Very high	95.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-56.3	-43.3	174.7	0	0	0	0	0	111.9	C355 Y356 L362 C363 S369	C355-A359 PolarHBondContact O-N 2.96Å; Y356-A359 WeakPolarHBondContact O-CB 3.48Å; Y356-A359 PolarHBondContact O-N 2.91Å; A359-L362 PolarHBondContact O-N 3.11Å; A359-C363 PolarHBondContact O-N 3.44Å; A359-S369 WeakPolarHBondContact CB-OG 3.1Å
360	L	95.9	Very high	96	Very high	23 Å²	23	48.7 Å²	48.7	12%	0.12	27%	0.269	C	S	.	.	H	α-helix	trans	-72.3	-28.2	178.5	-67.3	171.5	0	0	0	113.4	Y356 N357 T358 C363 P364 H366 L370 L373	Y356-L360 VanDerWaalsContact O-CG 3.31Å; Y356-L360 WeakPolarHBondContact O-CG 3.35Å; Y356-L360 PolarHBondContact O-N 3.08Å; N357-L360 PolarHBondContact O-N 2.97Å; T358-L360 VanDerWaalsContact C-N 3.28Å; T358-L360 PolarHBondContact O-N 3.35Å; L360-C363 CarbonylContact O-C 3.44Å; L360-C363 VanDerWaalsContact O-C 3.25Å; L360-P364 WeakPolarHBondContact O-CA 3.46Å; L360-P364 WeakPolarHBondContact O-CD 3.18Å; L360-P364 WeakPolarHBondContact O-CG 3.33Å; L360-H366 HydrophobicContact CD2-CB 4.29Å; L360-L370 HydrophobicContact CD1-CD2 3.89Å; L360-L370 HydrophobicContact CD2-CD2 3.67Å; L360-L370 HydrophobicContact CD2-CG 3.68Å; L360-L370 HydrophobicContact CG-CD2 4.45Å; L360-L373 HydrophobicContact CD1-CD2 3.81Å
361	T	97	Very high	96.1	Very high	114 Å²	114	45 Å²	45	70%	0.699	24%	0.243	S	C	*	.	H	α-helix	trans	-68.8	-38.9	172.2	-59.6	0	0	0	0	110.8	N357 T358	N357-T361 WeakPolarHBondContact O-CB 3.28Å; N357-T361 PolarHBondContact O-N 3.02Å; N357-T361 PolarHBondContact O-OG1 3.39Å; T358-T361 WeakPolarHBondContact O-CB 3.1Å; T358-T361 PolarHBondContact O-N 3.39Å; T358-T361 VanDerWaalsContact O-N 3.15Å
362	L	95.7	Very high	96.2	Very high	42 Å²	42	42.3 Å²	42.3	22%	0.22	23%	0.231	C	C	.	.	H	α-helix	trans	-74.3	-39.1	177.1	-63.1	172.9	0	0	0	112	H331 P333 Y336 T358 A359	H331-L362 VanDerWaalsContact CE1-CD2 3.41Å; H331-L362 WeakPolarHBondContact CE1-CD2 3.34Å; H331-L362 WeakPolarHBondContact ND1-CD2 3.33Å; P333-L362 HydrophobicContact CG-CB 3.89Å; Y336-L362 HydrophobicContact CD2-CD1 3.62Å; Y336-L362 HydrophobicContact CE2-CD1 3.39Å; T358-L362 HydrophobicContact CG2-CD1 4.29Å; T358-L362 VanDerWaalsContact O-CG 3.29Å; T358-L362 WeakPolarHBondContact O-CG 3.4Å; T358-L362 PolarHBondContact O-N 2.99Å; A359-L362 PolarHBondContact O-N 3.11Å
363	C	96	Very high	96.2	Very high	37 Å²	37	42.5 Å²	42.5	25%	0.25	23%	0.233	C	C	.	.			trans	-140.7	94.8	178.1	-176.3	0	0	0	0	110.1	P333 A359 L360 Q365 H366	P333-C363 HydrophobicContact CB-CB 4.07Å; P333-C363 HydrophobicContact CG-CB 3.76Å; A359-C363 PolarHBondContact O-N 3.44Å; L360-C363 CarbonylContact O-C 3.44Å; L360-C363 VanDerWaalsContact O-C 3.25Å; C363-Q365 PolarHBondContact O-N 3.43Å; C363-Q365 VanDerWaalsContact O-N 3.1Å; C363-H366 HydrophobicContact CB-CB 4.17Å; C363-H366 VanDerWaalsContact O-CB 3.28Å; C363-H366 WeakPolarHBondContact O-CB 3.47Å; C363-H366 PolarHBondContact O-N 3.37Å
364	P	94	Very high	96.2	Very high	78 Å²	78	40.6 Å²	40.6	51%	0.506	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.2	178.6	-26.8	35.5	0	0	0	114	L360 H366	L360-P364 WeakPolarHBondContact O-CA 3.46Å; L360-P364 WeakPolarHBondContact O-CD 3.18Å; L360-P364 WeakPolarHBondContact O-CG 3.33Å; P364-H366 VanDerWaalsContact C-N 3.34Å
365	Q	93.7	Very high	96.1	Very high	125 Å²	125	35.4 Å²	35.4	58%	0.584	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	18.4	176.6	-59	84	28.3	0	0	113.7	C363 A367 I396	C363-Q365 PolarHBondContact O-N 3.43Å; C363-Q365 VanDerWaalsContact O-N 3.1Å; Q365-A367 PolarHBondContact O-N 3.49Å; Q365-I396 HydrophobicContact CB-CD1 4.22Å; Q365-I396 HydrophobicContact CB-CG1 4.4Å; Q365-I396 HydrophobicContact CB-CG2 4.18Å; Q365-I396 WeakPolarHBondContact O-CG2 3.39Å
366	H	95.5	Very high	95.9	Very high	21 Å²	21	34.5 Å²	34.5	10%	0.097	19%	0.194	C	C	.	.			trans	-79.6	90.2	-179.6	-164.5	-98.4	0	0	0	111.8	D334 L360 C363 P364 D368 S369 L370	D334-H366 IonicContact OD1-CD2 2.96Å; D334-H366 IonicContact OD1-NE2 3.36Å; D334-H366 PolarHBondContact OD1-NE2 2.99Å; D334-H366 VanDerWaalsContact OD1-NE2 3.09Å; L360-H366 HydrophobicContact CD2-CB 4.29Å; C363-H366 HydrophobicContact CB-CB 4.17Å; C363-H366 VanDerWaalsContact O-CB 3.28Å; C363-H366 WeakPolarHBondContact O-CB 3.47Å; C363-H366 PolarHBondContact O-N 3.37Å; P364-H366 VanDerWaalsContact C-N 3.34Å; H366-D368 PolarHBondContact O-N 3.34Å; H366-S369 VanDerWaalsContact ND1-CB 3.33Å; H366-S369 WeakPolarHBondContact ND1-CB 3.27Å; H366-S369 PolarHBondContact ND1-N 3.26Å; H366-S369 PolarHBondContact ND1-OG 3.19Å; H366-S369 PolarHBondContact O-N 3.46Å; H366-S369 VanDerWaalsContact O-N 3.14Å; H366-L370 PolarHBondContact O-N 3.32Å
367	A	94.6	Very high	95.8	Very high	12 Å²	12	35.1 Å²	35.1	10%	0.099	20%	0.197	C	C	.	.	H	α-helix	trans	-57	-41.3	-172.1	0	0	0	0	0	114	Q365 S369 L370 N371 I396 F400	Q365-A367 PolarHBondContact O-N 3.49Å; A367-S369 VanDerWaalsContact C-N 3.34Å; A367-S369 PolarHBondContact O-N 3Å; A367-L370 PolarHBondContact O-N 2.95Å; A367-N371 PolarHBondContact O-N 3.05Å; A367-I396 HydrophobicContact CB-CG2 4.26Å; A367-F400 HydrophobicContact CB-CD1 4.4Å; A367-F400 HydrophobicContact CB-CE1 4.41Å
368	D	95.4	Very high	95.4	Very high	81 Å²	81	34.8 Å²	34.8	43%	0.433	19%	0.19	S	C	.	.	H	α-helix	trans	-61.8	-41.2	178	-68.9	-64.9	0	0	0	112.1	H366 L370 N371 N372 F400	H366-D368 PolarHBondContact O-N 3.34Å; D368-L370 PolarHBondContact O-N 3.27Å; D368-N371 PolarHBondContact O-N 3.06Å; D368-N372 WeakPolarHBondContact O-CB 3.43Å; D368-N372 VanDerWaalsContact O-CG 3.23Å; D368-N372 PolarHBondContact O-N 3.41Å; D368-N372 PolarHBondContact O-ND2 3.03Å; D368-F400 WeakPolarHBondContact OD1-CZ 3.38Å
369	S	96.8	Very high	94.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.7	-38.8	176.8	-71.2	0	0	0	0	111.7	C337 A359 H366 A367 L373	C337-S369 WeakPolarHBondContact CB-OG 3.45Å; A359-S369 WeakPolarHBondContact CB-OG 3.1Å; H366-S369 VanDerWaalsContact ND1-CB 3.33Å; H366-S369 WeakPolarHBondContact ND1-CB 3.27Å; H366-S369 PolarHBondContact ND1-N 3.26Å; H366-S369 PolarHBondContact ND1-OG 3.19Å; H366-S369 PolarHBondContact O-N 3.46Å; H366-S369 VanDerWaalsContact O-N 3.14Å; A367-S369 VanDerWaalsContact C-N 3.34Å; A367-S369 PolarHBondContact O-N 3Å; S369-L373 WeakPolarHBondContact O-CB 3.45Å; S369-L373 PolarHBondContact O-N 3.48Å
370	L	97.6	Very high	94.5	Very high	14 Å²	14	41.8 Å²	41.8	7%	0.073	22%	0.219	C	C	.	.	H	α-helix	trans	-62.6	-48.7	176.1	-69.6	171.6	0	0	0	111.3	L360 H366 A367 D368 A374 L389 A393 I396	L360-L370 HydrophobicContact CD1-CD2 3.89Å; L360-L370 HydrophobicContact CD2-CD2 3.67Å; L360-L370 HydrophobicContact CD2-CG 3.68Å; L360-L370 HydrophobicContact CG-CD2 4.45Å; H366-L370 PolarHBondContact O-N 3.32Å; A367-L370 PolarHBondContact O-N 2.95Å; D368-L370 PolarHBondContact O-N 3.27Å; L370-A374 VanDerWaalsContact O-CB 3.3Å; L370-A374 WeakPolarHBondContact O-CB 3.37Å; L370-A374 PolarHBondContact O-N 2.76Å; L370-L389 HydrophobicContact CD2-CD2 3.77Å; L370-A393 HydrophobicContact CB-CB 3.83Å; L370-A393 HydrophobicContact CD1-CB 4.49Å; L370-I396 HydrophobicContact CD1-CD1 3.38Å
371	N	96.5	Very high	93.8	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.027	24%	0.239	C	C	.	.	H	α-helix	trans	-63.7	-42.7	178.3	171.8	83.1	0	0	0	112.4	A367 D368 A374 N375 Y390 A393 F400 A403 N406	A367-N371 PolarHBondContact O-N 3.05Å; D368-N371 PolarHBondContact O-N 3.06Å; N371-A374 WeakPolarHBondContact O-CB 3.39Å; N371-A374 PolarHBondContact O-N 3.23Å; N371-N375 PolarHBondContact O-N 3.31Å; N371-N375 PolarHBondContact O-ND2 3.25Å; N371-Y390 WeakPolarHBondContact OD1-CE1 3.43Å; N371-A393 HydrophobicContact CB-CB 4.37Å; N371-F400 HydrophobicContact CB-CD1 4.42Å; N371-F400 HydrophobicContact CB-CE1 3.54Å; N371-F400 HydrophobicContact CB-CZ 3.93Å; N371-A403 HydrophobicContact CB-CB 4.46Å; N371-A403 VanDerWaalsContact OD1-CA 3.28Å; N371-A403 WeakPolarHBondContact OD1-CA 3.21Å; N371-N406 PolarHBondContact OD1-ND2 3.03Å
372	N	96.1	Very high	93.3	Very high	28 Å²	28	41.5 Å²	41.5	15%	0.15	23%	0.226	C	C	.	.	H	α-helix	trans	-75.3	-34.6	-177.6	-66.2	-12.5	0	0	0	112.2	N341 Y356 D368 A374 N375 I376	N341-N372 PolarHBondContact OD1-ND2 3.18Å; Y356-N372 HydrophobicContact CD1-CB 4.37Å; Y356-N372 HydrophobicContact CE1-CB 3.51Å; Y356-N372 HydrophobicContact CE2-CB 4.24Å; Y356-N372 VanDerWaalsContact CZ-CB 3.45Å; Y356-N372 WeakPolarHBondContact OH-CB 3.35Å; D368-N372 WeakPolarHBondContact O-CB 3.43Å; D368-N372 VanDerWaalsContact O-CG 3.23Å; D368-N372 PolarHBondContact O-N 3.41Å; D368-N372 PolarHBondContact O-ND2 3.03Å; N372-A374 VanDerWaalsContact C-N 3.33Å; N372-N375 WeakPolarHBondContact O-CB 3.36Å; N372-N375 PolarHBondContact O-N 3.43Å; N372-I376 PolarHBondContact O-N 3Å
373	L	96.8	Very high	92.8	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.026	23%	0.227	C	C	.	.	H	α-helix	trans	-63.2	-41.4	168.8	-177.4	60.8	0	0	0	110.9	E353 Y356 L360 S369 N375 I376 K377 L389	E353-L373 HydrophobicContact CG-CD1 3.85Å; Y356-L373 HydrophobicContact CD2-CB 4.42Å; Y356-L373 HydrophobicContact CD2-CD1 4.41Å; Y356-L373 HydrophobicContact CG-CB 4.32Å; L360-L373 HydrophobicContact CD1-CD2 3.81Å; S369-L373 WeakPolarHBondContact O-CB 3.45Å; S369-L373 PolarHBondContact O-N 3.48Å; L373-N375 VanDerWaalsContact C-N 3.28Å; L373-N375 PolarHBondContact O-N 3.08Å; L373-I376 WeakPolarHBondContact O-CB 3.24Å; L373-I376 PolarHBondContact O-N 3.42Å; L373-I376 VanDerWaalsContact O-N 3.09Å; L373-K377 WeakPolarHBondContact O-CG 3.39Å; L373-K377 PolarHBondContact O-N 2.89Å; L373-L389 HydrophobicContact CB-CD1 4.3Å; L373-L389 HydrophobicContact CD2-CD1 4Å; L373-L389 HydrophobicContact CD2-CD2 4.26Å; L373-L389 HydrophobicContact CG-CD1 3.8Å
374	A	96.2	Very high	92.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58.9	-38.3	174.4	0	0	0	0	0	112.5	L370 N371 N372 K377 R378 A386 L389 Y390	L370-A374 VanDerWaalsContact O-CB 3.3Å; L370-A374 WeakPolarHBondContact O-CB 3.37Å; L370-A374 PolarHBondContact O-N 2.76Å; N371-A374 WeakPolarHBondContact O-CB 3.39Å; N371-A374 PolarHBondContact O-N 3.23Å; N372-A374 VanDerWaalsContact C-N 3.33Å; A374-K377 PolarHBondContact O-N 3.48Å; A374-R378 WeakPolarHBondContact O-CB 3.47Å; A374-R378 PolarHBondContact O-N 3.17Å; A374-A386 WeakPolarHBondContact O-CB 3.35Å; A374-L389 HydrophobicContact CB-CB 3.6Å; A374-L389 HydrophobicContact CB-CD1 4.31Å; A374-Y390 HydrophobicContact CB-CD1 3.66Å; A374-Y390 HydrophobicContact CB-CD2 3.87Å; A374-Y390 HydrophobicContact CB-CE1 3.41Å; A374-Y390 VanDerWaalsContact CB-CE1 3.41Å; A374-Y390 HydrophobicContact CB-CE2 3.62Å; A374-Y390 HydrophobicContact CB-CG 3.86Å
375	N	94.8	Very high	92.3	Very high	22 Å²	22	46.2 Å²	46.2	12%	0.118	24%	0.237	C	C	.	.	H	α-helix	trans	-60.3	-44	173.5	-76.6	-51.2	0	0	0	111.6	N371 N372 L373 R378 E379 Y390 N406	N371-N375 PolarHBondContact O-N 3.31Å; N371-N375 PolarHBondContact O-ND2 3.25Å; N372-N375 WeakPolarHBondContact O-CB 3.36Å; N372-N375 PolarHBondContact O-N 3.43Å; L373-N375 VanDerWaalsContact C-N 3.28Å; L373-N375 PolarHBondContact O-N 3.08Å; N375-R378 PolarHBondContact O-N 2.94Å; N375-R378 PolarHBondContact OD1-NH2 3.4Å; N375-E379 WeakPolarHBondContact O-CG 3.39Å; N375-E379 PolarHBondContact O-N 3.37Å; N375-Y390 WeakPolarHBondContact CA-OH 3.26Å; N375-Y390 PolarHBondContact N-OH 2.78Å; N375-Y390 PolarHBondContact OD1-OH 2.81Å; N375-N406 PolarHBondContact OD1-ND2 3.48Å
376	I	93.6	Very high	92.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.7	-48.1	174.9	-71.4	-178.4	0	0	0	110.9	K344 V349 A352 Y356 N372 L373 R378 E379 Q380	K344-I376 HydrophobicContact CD-CD1 4.32Å; K344-I376 HydrophobicContact CD-CG1 4.05Å; V349-I376 HydrophobicContact CG1-CD1 4.29Å; V349-I376 HydrophobicContact CG1-CG1 4.49Å; V349-I376 HydrophobicContact CG1-CG2 3.74Å; A352-I376 HydrophobicContact CB-CD1 4.04Å; Y356-I376 HydrophobicContact CD2-CD1 3.97Å; Y356-I376 HydrophobicContact CE2-CD1 3.61Å; N372-I376 PolarHBondContact O-N 3Å; L373-I376 WeakPolarHBondContact O-CB 3.24Å; L373-I376 PolarHBondContact O-N 3.42Å; L373-I376 VanDerWaalsContact O-N 3.09Å; I376-R378 VanDerWaalsContact C-N 3.26Å; I376-R378 PolarHBondContact O-N 3.49Å; I376-E379 PolarHBondContact O-N 2.87Å; I376-E379 VanDerWaalsContact O-N 3.1Å; I376-Q380 HydrophobicContact CG2-CG 4.27Å; I376-Q380 WeakPolarHBondContact O-CG 3.43Å; I376-Q380 PolarHBondContact O-N 3.49Å
377	K	94	Very high	92.2	Very high	13 Å²	13	40.4 Å²	40.4	6%	0.057	21%	0.211	C	C	.	.	H	α-helix	trans	-59.1	-38.6	178.4	-64.5	-52.2	-178.8	-175.2	0	112.1	E353 L373 A374 Q380 G381 L382 E385 A386 L389	E353-K377 WeakPolarHBondContact OE1-CE 3.21Å; E353-K377 IonicContact OE1-NZ 2.67Å; E353-K377 PolarHBondContact OE1-NZ 2.9Å; E353-K377 IonicContact OE2-NZ 3.69Å; E353-K377 PolarHBondContact OE2-NZ 3.42Å; L373-K377 WeakPolarHBondContact O-CG 3.39Å; L373-K377 PolarHBondContact O-N 2.89Å; A374-K377 PolarHBondContact O-N 3.48Å; K377-Q380 PolarHBondContact O-N 2.65Å; K377-G381 PolarHBondContact O-N 2.94Å; K377-L382 HydrophobicContact CB-CB 4.28Å; K377-L382 HydrophobicContact CD-CD1 3.98Å; K377-L382 WeakPolarHBondContact O-CA 3.25Å; K377-L382 PolarHBondContact O-N 2.91Å; K377-E385 WeakPolarHBondContact CE-OE1 3.18Å; K377-E385 HydrophobicContact CG-CG 4.19Å; K377-A386 HydrophobicContact CB-CB 3.94Å; K377-L389 HydrophobicContact CG-CD1 3.84Å
378	R	90	Very high	92.2	Very high	58 Å²	58	47.4 Å²	47.4	22%	0.219	24%	0.235	C	C	.	.	H	α-helix	trans	-62.8	-47.5	173.2	-173.1	-175.7	69.9	-167	-3.1	111.6	A374 N375 I376 Q380 G381 I383 A386 N406 I410	A374-R378 WeakPolarHBondContact O-CB 3.47Å; A374-R378 PolarHBondContact O-N 3.17Å; N375-R378 PolarHBondContact O-N 2.94Å; N375-R378 PolarHBondContact OD1-NH2 3.4Å; I376-R378 VanDerWaalsContact C-N 3.26Å; I376-R378 PolarHBondContact O-N 3.49Å; R378-Q380 PolarHBondContact O-N 2.89Å; R378-G381 PolarHBondContact O-N 2.97Å; R378-I383 HydrophobicContact CG-CD1 4.22Å; R378-A386 HydrophobicContact CB-CB 4.03Å; R378-N406 PolarHBondContact NH1-OD1 2.92Å; R378-I410 HydrophobicContact CB-CD1 4.31Å; R378-I410 HydrophobicContact CG-CD1 3.99Å; R378-I410 HydrophobicContact CG-CG1 4.17Å
379	E	85.9	Confident	92.3	Very high	116 Å²	116	44.2 Å²	44.2	54%	0.542	22%	0.218	S	C	.	.	H	α-helix	trans	-62.6	-30.4	177.2	-72.4	170.4	-169.1	0	0	112.3	K344 N375 I376 G381	K344-E379 VanDerWaalsContact CE-OE2 3.3Å; K344-E379 WeakPolarHBondContact CE-OE2 3.41Å; K344-E379 IonicContact NZ-OE1 3.84Å; K344-E379 PolarHBondContact NZ-OE1 3.17Å; K344-E379 IonicContact NZ-OE2 2.97Å; K344-E379 PolarHBondContact NZ-OE2 2.97Å; N375-E379 WeakPolarHBondContact O-CG 3.39Å; N375-E379 PolarHBondContact O-N 3.37Å; I376-E379 PolarHBondContact O-N 2.87Å; I376-E379 VanDerWaalsContact O-N 3.1Å; E379-G381 VanDerWaalsContact C-N 3.28Å; E379-G381 PolarHBondContact O-N 2.74Å
380	Q	87.9	Confident	92.3	Very high	83 Å²	83	44.2 Å²	44.2	39%	0.388	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-5.9	173	-68.6	171.6	-8.2	0	0	113.7	E353 I376 K377 R378 L382	E353-Q380 PolarHBondContact OE2-NE2 2.89Å; E353-Q380 VanDerWaalsContact OE2-NE2 3.16Å; I376-Q380 HydrophobicContact CG2-CG 4.27Å; I376-Q380 WeakPolarHBondContact O-CG 3.43Å; I376-Q380 PolarHBondContact O-N 3.49Å; K377-Q380 PolarHBondContact O-N 2.65Å; R378-Q380 PolarHBondContact O-N 2.89Å; Q380-L382 VanDerWaalsContact C-N 3.34Å; Q380-L382 HydrophobicContact CB-CD1 4.44Å; Q380-L382 HydrophobicContact CB-CG 4.41Å
381	G	81	Confident	92.3	Very high	51 Å²	51	46.3 Å²	46.3	53%	0.526	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	6	-177	0	0	0	0	0	115	K377 R378 E379 I383	K377-G381 PolarHBondContact O-N 2.94Å; R378-G381 PolarHBondContact O-N 2.97Å; E379-G381 VanDerWaalsContact C-N 3.28Å; E379-G381 PolarHBondContact O-N 2.74Å; G381-I383 VanDerWaalsContact C-N 3.26Å; G381-I383 PolarHBondContact O-N 3.17Å
382	L	87.5	Confident	92.3	Very high	81 Å²	81	47.8 Å²	47.8	42%	0.424	24%	0.242	S	C	.	.			trans	-83.5	68.4	177.3	-61.6	173.7	0	0	0	110.3	K377 Q380 E384 E385 A386	K377-L382 HydrophobicContact CB-CB 4.28Å; K377-L382 HydrophobicContact CD-CD1 3.98Å; K377-L382 WeakPolarHBondContact O-CA 3.25Å; K377-L382 PolarHBondContact O-N 2.91Å; Q380-L382 VanDerWaalsContact C-N 3.34Å; Q380-L382 HydrophobicContact CB-CD1 4.44Å; Q380-L382 HydrophobicContact CB-CG 4.41Å; L382-E384 PolarHBondContact O-N 2.91Å; L382-E385 HydrophobicContact CB-CB 4.29Å; L382-E385 PolarHBondContact O-N 3.06Å; L382-A386 WeakPolarHBondContact O-CB 3.42Å; L382-A386 PolarHBondContact O-N 3.01Å
383	I	85.2	Confident	92.4	Very high	48 Å²	48	46.4 Å²	46.4	25%	0.246	24%	0.235	C	C	.	.	H	α-helix	trans	-63.8	-41.4	-169.2	-57.4	-55.9	0	0	0	113.3	R378 G381 A386 T387 I410	R378-I383 HydrophobicContact CG-CD1 4.22Å; G381-I383 VanDerWaalsContact C-N 3.26Å; G381-I383 PolarHBondContact O-N 3.17Å; I383-A386 PolarHBondContact O-N 3.47Å; I383-T387 WeakPolarHBondContact O-CB 3.31Å; I383-T387 PolarHBondContact O-N 3.33Å; I383-T387 PolarHBondContact O-OG1 3.39Å; I383-I410 HydrophobicContact CG2-CG2 3.61Å
384	E	86.6	Confident	92.4	Very high	142 Å²	142	47 Å²	47	66%	0.664	24%	0.238	S	C	*	.	H	α-helix	trans	-64.3	-43.2	179.4	-69.1	-179.6	-174	0	0	111.6	L382 T387 R388 H579	L382-E384 PolarHBondContact O-N 2.91Å; E384-T387 PolarHBondContact O-N 3.23Å; E384-R388 PolarHBondContact O-N 3.09Å; E384-H579 IonicContact OE1-CE1 2.71Å; E384-H579 IonicContact OE1-NE2 3.86Å
385	E	92	Very high	92.4	Very high	66 Å²	66	54 Å²	54	31%	0.308	27%	0.27	S	S	.	.	H	α-helix	trans	-65.5	-44.4	177.7	-168.5	178.1	-176.5	0	0	111.2	K377 L382 T387 R388 L389	K377-E385 WeakPolarHBondContact CE-OE1 3.18Å; K377-E385 HydrophobicContact CG-CG 4.19Å; L382-E385 HydrophobicContact CB-CB 4.29Å; L382-E385 PolarHBondContact O-N 3.06Å; E385-T387 VanDerWaalsContact C-N 3.32Å; E385-T387 PolarHBondContact O-N 3.02Å; E385-R388 PolarHBondContact O-N 2.96Å; E385-L389 HydrophobicContact CG-CD1 4.32Å; E385-L389 WeakPolarHBondContact O-CG 3.38Å; E385-L389 PolarHBondContact O-N 3.13Å
386	A	94.6	Very high	92.5	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-57.7	-45.1	174.3	0	0	0	0	0	111.7	A374 K377 R378 L382 I383 R388 L389 Y390 I410	A374-A386 WeakPolarHBondContact O-CB 3.35Å; K377-A386 HydrophobicContact CB-CB 3.94Å; R378-A386 HydrophobicContact CB-CB 4.03Å; L382-A386 WeakPolarHBondContact O-CB 3.42Å; L382-A386 PolarHBondContact O-N 3.01Å; I383-A386 PolarHBondContact O-N 3.47Å; A386-R388 PolarHBondContact O-N 2.82Å; A386-L389 PolarHBondContact O-N 3.22Å; A386-Y390 HydrophobicContact CB-CE2 4.22Å; A386-Y390 WeakPolarHBondContact O-CD2 3.48Å; A386-Y390 PolarHBondContact O-N 2.91Å; A386-I410 HydrophobicContact CB-CD1 3.82Å
387	T	92.6	Very high	92.6	Very high	23 Å²	23	61.9 Å²	61.9	14%	0.141	30%	0.304	C	S	.	.	H	α-helix	trans	-59.6	-47.7	178.6	-55.4	0	0	0	0	111.2	I383 E384 E385 L389 Y390 V391 L407	I383-T387 WeakPolarHBondContact O-CB 3.31Å; I383-T387 PolarHBondContact O-N 3.33Å; I383-T387 PolarHBondContact O-OG1 3.39Å; E384-T387 PolarHBondContact O-N 3.23Å; E385-T387 VanDerWaalsContact C-N 3.32Å; E385-T387 PolarHBondContact O-N 3.02Å; T387-L389 VanDerWaalsContact C-N 3.32Å; T387-L389 PolarHBondContact O-N 3.44Å; T387-Y390 PolarHBondContact O-N 3.07Å; T387-V391 WeakPolarHBondContact O-CG2 3.49Å; T387-V391 PolarHBondContact O-N 2.86Å; T387-L407 HydrophobicContact CG2-CD1 3.91Å
388	R	95.5	Very high	92.8	Very high	159 Å²	159	64.9 Å²	64.9	60%	0.6	33%	0.325	S	S	*	.	H	α-helix	trans	-59.6	-43.4	178	-174	-176.2	64.4	176	-2.2	111.6	E384 E385 A386 V391 S392	E384-R388 PolarHBondContact O-N 3.09Å; E385-R388 PolarHBondContact O-N 2.96Å; A386-R388 PolarHBondContact O-N 2.82Å; R388-V391 PolarHBondContact O-N 2.99Å; R388-S392 PolarHBondContact O-N 2.89Å; R388-S392 PolarHBondContact O-OG 2.98Å
389	L	97	Very high	93.1	Very high	15 Å²	15	65.9 Å²	65.9	8%	0.079	33%	0.332	C	S	.	.	H	α-helix	trans	-65.8	-40.1	179.5	-71.9	169.6	0	0	0	112.4	L370 L373 A374 K377 E385 A386 T387 S392 A393	L370-L389 HydrophobicContact CD2-CD2 3.77Å; L373-L389 HydrophobicContact CB-CD1 4.3Å; L373-L389 HydrophobicContact CD2-CD1 4Å; L373-L389 HydrophobicContact CD2-CD2 4.26Å; L373-L389 HydrophobicContact CG-CD1 3.8Å; A374-L389 HydrophobicContact CB-CB 3.6Å; A374-L389 HydrophobicContact CB-CD1 4.31Å; K377-L389 HydrophobicContact CG-CD1 3.84Å; E385-L389 HydrophobicContact CG-CD1 4.32Å; E385-L389 WeakPolarHBondContact O-CG 3.38Å; E385-L389 PolarHBondContact O-N 3.13Å; A386-L389 PolarHBondContact O-N 3.22Å; T387-L389 VanDerWaalsContact C-N 3.32Å; T387-L389 PolarHBondContact O-N 3.44Å; L389-S392 PolarHBondContact O-N 2.9Å; L389-A393 PolarHBondContact O-N 2.59Å
390	Y	97.4	Very high	93.6	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63	-42.4	172.7	-70	-57.1	0	0	0	112.4	N371 A374 N375 A386 T387 A393 L394 N406 L407 I410	N371-Y390 WeakPolarHBondContact OD1-CE1 3.43Å; A374-Y390 HydrophobicContact CB-CD1 3.66Å; A374-Y390 HydrophobicContact CB-CD2 3.87Å; A374-Y390 HydrophobicContact CB-CE1 3.41Å; A374-Y390 VanDerWaalsContact CB-CE1 3.41Å; A374-Y390 HydrophobicContact CB-CE2 3.62Å; A374-Y390 HydrophobicContact CB-CG 3.86Å; N375-Y390 WeakPolarHBondContact CA-OH 3.26Å; N375-Y390 PolarHBondContact N-OH 2.78Å; N375-Y390 PolarHBondContact OD1-OH 2.81Å; A386-Y390 HydrophobicContact CB-CE2 4.22Å; A386-Y390 WeakPolarHBondContact O-CD2 3.48Å; A386-Y390 PolarHBondContact O-N 2.91Å; T387-Y390 PolarHBondContact O-N 3.07Å; Y390-A393 WeakPolarHBondContact O-CB 3.35Å; Y390-A393 PolarHBondContact O-N 2.59Å; Y390-L394 WeakPolarHBondContact O-CG 3.23Å; Y390-L394 PolarHBondContact O-N 3.22Å; Y390-N406 HydrophobicContact CD1-CB 4.01Å; Y390-N406 HydrophobicContact CE1-CB 3.36Å; Y390-N406 HydrophobicContact CE2-CB 4.22Å; Y390-L407 HydrophobicContact CG-CB 4.36Å; Y390-I410 HydrophobicContact CD2-CD1 4.02Å; Y390-I410 HydrophobicContact CE2-CD1 3.57Å; Y390-I410 HydrophobicContact CE2-CG1 4.49Å
391	V	96.9	Very high	94	Very high	57 Å²	57	58 Å²	58	35%	0.345	30%	0.297	S	S	.	.	H	α-helix	trans	-61.8	-47.1	177.2	171.5	0	0	0	0	110.3	T387 R388 A393 L394 E395 L407	T387-V391 WeakPolarHBondContact O-CG2 3.49Å; T387-V391 PolarHBondContact O-N 2.86Å; R388-V391 PolarHBondContact O-N 2.99Å; V391-A393 VanDerWaalsContact C-N 3.3Å; V391-A393 PolarHBondContact O-N 2.95Å; V391-L394 CarbonylContact O-C 3.18Å; V391-L394 PolarHBondContact O-N 2.91Å; V391-L394 VanDerWaalsContact O-N 3.08Å; V391-E395 HydrophobicContact CG1-CG 4.34Å; V391-E395 WeakPolarHBondContact O-CG 3.48Å; V391-E395 PolarHBondContact O-N 2.86Å; V391-L407 HydrophobicContact CG2-CD2 4.2Å
392	S	97	Very high	94.7	Very high	36 Å²	36	57.1 Å²	57.1	25%	0.252	29%	0.285	S	S	.	.	H	α-helix	trans	-60	-39.1	175.9	-62.6	0	0	0	0	112.4	R388 L389 L394 E395 I396	R388-S392 PolarHBondContact O-N 2.89Å; R388-S392 PolarHBondContact O-OG 2.98Å; L389-S392 PolarHBondContact O-N 2.9Å; S392-L394 VanDerWaalsContact C-N 3.31Å; S392-L394 PolarHBondContact O-N 2.81Å; S392-E395 PolarHBondContact O-N 3.01Å; S392-I396 WeakPolarHBondContact O-CD1 3.05Å; S392-I396 WeakPolarHBondContact O-CG1 3.35Å; S392-I396 PolarHBondContact O-N 2.99Å
393	A	97.5	Very high	95.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.8	-40.7	174.7	0	0	0	0	0	112	L370 N371 L389 Y390 V391 I396 Y397 F400	L370-A393 HydrophobicContact CB-CB 3.83Å; L370-A393 HydrophobicContact CD1-CB 4.49Å; N371-A393 HydrophobicContact CB-CB 4.37Å; L389-A393 PolarHBondContact O-N 2.59Å; Y390-A393 WeakPolarHBondContact O-CB 3.35Å; Y390-A393 PolarHBondContact O-N 2.59Å; V391-A393 VanDerWaalsContact C-N 3.3Å; V391-A393 PolarHBondContact O-N 2.95Å; A393-I396 PolarHBondContact O-N 2.86Å; A393-Y397 PolarHBondContact O-N 3.13Å; A393-F400 HydrophobicContact CB-CD1 4.46Å
394	L	97.3	Very high	95.7	Very high	18 Å²	18	52 Å²	52	9%	0.094	26%	0.257	C	S	.	.	H	α-helix	trans	-75.6	-29	178.8	-68.8	175.6	0	0	0	113.7	Y390 V391 S392 I396 Y397 P398 F400 A403 H404 L407	Y390-L394 WeakPolarHBondContact O-CG 3.23Å; Y390-L394 PolarHBondContact O-N 3.22Å; V391-L394 CarbonylContact O-C 3.18Å; V391-L394 PolarHBondContact O-N 2.91Å; V391-L394 VanDerWaalsContact O-N 3.08Å; S392-L394 VanDerWaalsContact C-N 3.31Å; S392-L394 PolarHBondContact O-N 2.81Å; L394-I396 VanDerWaalsContact C-N 3.31Å; L394-Y397 CarbonylContact O-C 3.25Å; L394-P398 VanDerWaalsContact O-CA 3.31Å; L394-P398 WeakPolarHBondContact O-CA 3.33Å; L394-P398 WeakPolarHBondContact O-CD 3.27Å; L394-P398 WeakPolarHBondContact O-CG 3.42Å; L394-F400 HydrophobicContact CD2-CB 4.06Å; L394-A403 HydrophobicContact CD2-CB 3.74Å; L394-A403 HydrophobicContact CG-CB 4.01Å; L394-H404 WeakPolarHBondContact CD2-CD2 3.33Å; L394-L407 HydrophobicContact CD1-CD2 3.79Å
395	E	97.1	Very high	96.3	Very high	145 Å²	145	45.5 Å²	45.5	68%	0.678	23%	0.227	S	C	*	.	H	α-helix	trans	-65.7	-36.5	172	-74.7	174.6	167.8	0	0	111.5	V391 S392	V391-E395 HydrophobicContact CG1-CG 4.34Å; V391-E395 WeakPolarHBondContact O-CG 3.48Å; V391-E395 PolarHBondContact O-N 2.86Å; S392-E395 PolarHBondContact O-N 3.01Å
396	I	96	Very high	96.5	Very high	69 Å²	69	43.8 Å²	43.8	35%	0.354	22%	0.22	S	C	.	.	H	α-helix	trans	-78.5	-45.5	177.1	-68	156.8	0	0	0	111	Q365 A367 L370 S392 A393 L394	Q365-I396 HydrophobicContact CB-CD1 4.22Å; Q365-I396 HydrophobicContact CB-CG1 4.4Å; Q365-I396 HydrophobicContact CB-CG2 4.18Å; Q365-I396 WeakPolarHBondContact O-CG2 3.39Å; A367-I396 HydrophobicContact CB-CG2 4.26Å; L370-I396 HydrophobicContact CD1-CD1 3.38Å; S392-I396 WeakPolarHBondContact O-CD1 3.05Å; S392-I396 WeakPolarHBondContact O-CG1 3.35Å; S392-I396 PolarHBondContact O-N 2.99Å; A393-I396 PolarHBondContact O-N 2.86Å; L394-I396 VanDerWaalsContact C-N 3.31Å
397	Y	96.7	Very high	96.6	Very high	120 Å²	120	44 Å²	44	47%	0.471	22%	0.222	S	C	.	.			trans	-131.9	88.6	-177.7	-175	-136.1	0	0	0	111.2	A393 L394 E399 F400	A393-Y397 PolarHBondContact O-N 3.13Å; L394-Y397 CarbonylContact O-C 3.25Å; Y397-E399 VanDerWaalsContact C-N 3.3Å; Y397-E399 HydrophobicContact CE2-CB 3.89Å; Y397-E399 PolarHBondContact O-N 3.42Å; Y397-E399 PolarHBondContact OH-O 2.87Å; Y397-F400 HydrophobicContact CD1-CB 3.49Å; Y397-F400 VanDerWaalsContact CD1-CB 3.49Å; Y397-F400 HydrophobicContact CD1-CD1 4.17Å; Y397-F400 HydrophobicContact CD1-CD2 4.45Å; Y397-F400 AromaticContact CD1-CG 3.82Å; Y397-F400 HydrophobicContact CD1-CG 3.82Å; Y397-F400 HydrophobicContact CE1-CB 3.94Å; Y397-F400 HydrophobicContact CE1-CD2 4.49Å; Y397-F400 HydrophobicContact CE1-CG 4.26Å; Y397-F400 HydrophobicContact CG-CB 4.26Å; Y397-F400 VanDerWaalsContact O-CB 3.28Å; Y397-F400 WeakPolarHBondContact O-CB 3.36Å; Y397-F400 PolarHBondContact O-N 3.3Å
398	P	96.6	Very high	96.8	Very high	75 Å²	75	43 Å²	43	49%	0.487	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-30.9	-178.4	-26.8	35.2	0	0	0	114.6	L394 F400 H404	L394-P398 VanDerWaalsContact O-CA 3.31Å; L394-P398 WeakPolarHBondContact O-CA 3.33Å; L394-P398 WeakPolarHBondContact O-CD 3.27Å; L394-P398 WeakPolarHBondContact O-CG 3.42Å; P398-F400 PolarHBondContact O-N 3.3Å; P398-F400 VanDerWaalsContact O-N 3.08Å; P398-H404 PolarHBondContact O-NE2 3.25Å
399	E	96.3	Very high	96.7	Very high	79 Å²	79	36.5 Å²	36.5	37%	0.369	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	31.8	178.6	-61.7	-65.4	109.4	0	0	112.5	Y397 A401 R429 I430	Y397-E399 VanDerWaalsContact C-N 3.3Å; Y397-E399 HydrophobicContact CE2-CB 3.89Å; Y397-E399 PolarHBondContact O-N 3.42Å; Y397-E399 PolarHBondContact OH-O 2.87Å; E399-A401 PolarHBondContact O-N 2.92Å; E399-R429 IonicContact OE1-CZ 2.79Å; E399-R429 IonicContact OE1-NH1 3.18Å; E399-R429 IonicContact OE1-NH2 2.69Å; E399-R429 PolarHBondContact OE1-NH2 2.81Å; E399-R429 IonicContact OE2-CZ 2.85Å; E399-R429 IonicContact OE2-NH1 3.99Å; E399-R429 PolarHBondContact OE2-NH1 2.79Å; E399-R429 IonicContact OE2-NH2 2.82Å; E399-R429 PolarHBondContact OE2-NH2 2.89Å; E399-I430 HydrophobicContact CB-CG2 4.43Å; E399-I430 WeakPolarHBondContact O-CG2 3.04Å
400	F	96.8	Very high	96.4	Very high	23 Å²	23	35.8 Å²	35.8	10%	0.101	19%	0.191	C	C	.	.			trans	-93.1	85.7	179	-160.1	175.9	0	0	0	112.2	A367 D368 N371 A393 L394 Y397 P398 A402 A403 H404	A367-F400 HydrophobicContact CB-CD1 4.4Å; A367-F400 HydrophobicContact CB-CE1 4.41Å; D368-F400 WeakPolarHBondContact OD1-CZ 3.38Å; N371-F400 HydrophobicContact CB-CD1 4.42Å; N371-F400 HydrophobicContact CB-CE1 3.54Å; N371-F400 HydrophobicContact CB-CZ 3.93Å; A393-F400 HydrophobicContact CB-CD1 4.46Å; L394-F400 HydrophobicContact CD2-CB 4.06Å; Y397-F400 HydrophobicContact CD1-CB 3.49Å; Y397-F400 VanDerWaalsContact CD1-CB 3.49Å; Y397-F400 HydrophobicContact CD1-CD1 4.17Å; Y397-F400 HydrophobicContact CD1-CD2 4.45Å; Y397-F400 AromaticContact CD1-CG 3.82Å; Y397-F400 HydrophobicContact CD1-CG 3.82Å; Y397-F400 HydrophobicContact CE1-CB 3.94Å; Y397-F400 HydrophobicContact CE1-CD2 4.49Å; Y397-F400 HydrophobicContact CE1-CG 4.26Å; Y397-F400 HydrophobicContact CG-CB 4.26Å; Y397-F400 VanDerWaalsContact O-CB 3.28Å; Y397-F400 WeakPolarHBondContact O-CB 3.36Å; Y397-F400 PolarHBondContact O-N 3.3Å; P398-F400 PolarHBondContact O-N 3.3Å; P398-F400 VanDerWaalsContact O-N 3.08Å; F400-A402 VanDerWaalsContact C-N 3.31Å; F400-A402 HydrophobicContact CD2-CB 4.18Å; F400-A402 HydrophobicContact CE2-CB 3.85Å; F400-A402 PolarHBondContact O-N 3.5Å; F400-A403 HydrophobicContact CB-CB 4.02Å; F400-A403 HydrophobicContact CD1-CB 3.62Å; F400-A403 HydrophobicContact CD2-CB 4.41Å; F400-A403 HydrophobicContact CE1-CB 4.21Å; F400-A403 HydrophobicContact CG-CB 3.74Å; F400-A403 PolarHBondContact O-N 3.09Å; F400-A403 VanDerWaalsContact O-N 3.14Å; F400-H404 PolarHBondContact O-N 3.41Å; F400-H404 VanDerWaalsContact O-N 3.1Å
401	A	96.4	Very high	96	Very high	12 Å²	12	36 Å²	36	10%	0.099	19%	0.192	C	C	.	.	H	α-helix	trans	-53.7	-41.4	-176	0	0	0	0	0	114.3	E399 H404 S405 A427 I430 A431 F434	E399-A401 PolarHBondContact O-N 2.92Å; A401-H404 PolarHBondContact O-N 3.47Å; A401-S405 PolarHBondContact O-N 3.27Å; A401-A427 HydrophobicContact CB-CB 4.49Å; A401-A427 WeakPolarHBondContact O-CB 3.45Å; A401-I430 HydrophobicContact CB-CB 4.03Å; A401-I430 HydrophobicContact CB-CG2 3.84Å; A401-A431 HydrophobicContact CB-CB 3.93Å; A401-F434 HydrophobicContact CB-CD1 4.25Å; A401-F434 HydrophobicContact CB-CE1 4.44Å
402	A	95.6	Very high	95.6	Very high	32 Å²	32	34.7 Å²	34.7	26%	0.264	18%	0.182	S	C	.	.	H	α-helix	trans	-65.6	-42.4	179.9	0	0	0	0	0	112.3	F400 S405 N406	F400-A402 VanDerWaalsContact C-N 3.31Å; F400-A402 HydrophobicContact CD2-CB 4.18Å; F400-A402 HydrophobicContact CE2-CB 3.85Å; F400-A402 PolarHBondContact O-N 3.5Å; A402-S405 PolarHBondContact O-N 3.1Å; A402-N406 WeakPolarHBondContact O-CB 3.47Å; A402-N406 VanDerWaalsContact O-CG 3.32Å; A402-N406 PolarHBondContact O-N 2.8Å; A402-N406 PolarHBondContact O-ND2 3.16Å
403	A	96.7	Very high	94.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.7	-40.5	176.9	0	0	0	0	0	111.7	N371 L394 F400 N406 L407	N371-A403 HydrophobicContact CB-CB 4.46Å; N371-A403 VanDerWaalsContact OD1-CA 3.28Å; N371-A403 WeakPolarHBondContact OD1-CA 3.21Å; L394-A403 HydrophobicContact CD2-CB 3.74Å; L394-A403 HydrophobicContact CG-CB 4.01Å; F400-A403 HydrophobicContact CB-CB 4.02Å; F400-A403 HydrophobicContact CD1-CB 3.62Å; F400-A403 HydrophobicContact CD2-CB 4.41Å; F400-A403 HydrophobicContact CE1-CB 4.21Å; F400-A403 HydrophobicContact CG-CB 3.74Å; F400-A403 PolarHBondContact O-N 3.09Å; F400-A403 VanDerWaalsContact O-N 3.14Å; A403-N406 PolarHBondContact O-N 3.31Å; A403-L407 VanDerWaalsContact O-CB 3.27Å; A403-L407 WeakPolarHBondContact O-CB 3.46Å; A403-L407 PolarHBondContact O-N 3.03Å
404	H	98.2	Very high	93.9	Very high	20 Å²	20	39.5 Å²	39.5	9%	0.093	20%	0.2	C	C	.	.	H	α-helix	trans	-56.9	-50.9	170.7	-88.4	-81.2	0	0	0	111.9	L394 P398 F400 A401 N406 L407 A408 H423 A427	L394-H404 WeakPolarHBondContact CD2-CD2 3.33Å; P398-H404 PolarHBondContact O-NE2 3.25Å; F400-H404 PolarHBondContact O-N 3.41Å; F400-H404 VanDerWaalsContact O-N 3.1Å; A401-H404 PolarHBondContact O-N 3.47Å; H404-N406 PolarHBondContact O-N 3.41Å; H404-L407 PolarHBondContact O-N 2.98Å; H404-A408 WeakPolarHBondContact O-CB 3.32Å; H404-A408 PolarHBondContact O-N 3.3Å; H404-H423 AromaticContact CE1-ND1 3.58Å; H404-H423 AromaticContact CG-ND1 3.99Å; H404-H423 AromaticContact ND1-CE1 3.97Å; H404-H423 AromaticContact ND1-CG 3.8Å; H404-H423 AromaticContact ND1-ND1 2.98Å; H404-H423 PolarHBondContact ND1-ND1 3.29Å; H404-H423 WeakPolarHBondContact O-CB 3.34Å; H404-A427 HydrophobicContact CB-CB 3.88Å
405	S	97.8	Very high	92.8	Very high	6 Å²	6	41 Å²	41	4%	0.042	22%	0.22	C	C	.	.	H	α-helix	trans	-63.1	-40.1	179.8	-176.6	0	0	0	0	112.7	A401 A402 A408 S409	A401-S405 PolarHBondContact O-N 3.27Å; A402-S405 PolarHBondContact O-N 3.1Å; S405-A408 PolarHBondContact O-N 2.84Å; S405-S409 PolarHBondContact O-N 2.93Å
406	N	96.6	Very high	92.1	Very high	30 Å²	30	39 Å²	39	16%	0.16	21%	0.207	C	C	.	.	H	α-helix	trans	-68.3	-42	178.8	-74.8	-33	0	0	0	112.4	N371 N375 R378 Y390 A402 A403 H404 S409 I410	N371-N406 PolarHBondContact OD1-ND2 3.03Å; N375-N406 PolarHBondContact OD1-ND2 3.48Å; R378-N406 PolarHBondContact NH1-OD1 2.92Å; Y390-N406 HydrophobicContact CD1-CB 4.01Å; Y390-N406 HydrophobicContact CE1-CB 3.36Å; Y390-N406 HydrophobicContact CE2-CB 4.22Å; A402-N406 WeakPolarHBondContact O-CB 3.47Å; A402-N406 VanDerWaalsContact O-CG 3.32Å; A402-N406 PolarHBondContact O-N 2.8Å; A402-N406 PolarHBondContact O-ND2 3.16Å; A403-N406 PolarHBondContact O-N 3.31Å; H404-N406 PolarHBondContact O-N 3.41Å; N406-S409 WeakPolarHBondContact O-CB 3.28Å; N406-S409 PolarHBondContact O-N 3.26Å; N406-I410 PolarHBondContact O-N 3.48Å
407	L	96.9	Very high	91.7	Very high	6 Å²	6	37 Å²	37	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-63.4	-43.9	174.4	179.3	55.4	0	0	0	111.1	T387 Y390 V391 L394 A403 H404 S409 I410 L411 H423	T387-L407 HydrophobicContact CG2-CD1 3.91Å; Y390-L407 HydrophobicContact CG-CB 4.36Å; V391-L407 HydrophobicContact CG2-CD2 4.2Å; L394-L407 HydrophobicContact CD1-CD2 3.79Å; A403-L407 VanDerWaalsContact O-CB 3.27Å; A403-L407 WeakPolarHBondContact O-CB 3.46Å; A403-L407 PolarHBondContact O-N 3.03Å; H404-L407 PolarHBondContact O-N 2.98Å; L407-S409 VanDerWaalsContact C-N 3.27Å; L407-S409 PolarHBondContact O-N 2.98Å; L407-I410 PolarHBondContact O-N 2.94Å; L407-I410 VanDerWaalsContact O-N 3.15Å; L407-L411 HydrophobicContact CD1-CD1 4.31Å; L407-L411 HydrophobicContact CD1-CG 4.25Å; L407-L411 HydrophobicContact CG-CD1 4Å; L407-L411 HydrophobicContact CG-CG 4.42Å; L407-L411 WeakPolarHBondContact O-CG 3.16Å; L407-L411 PolarHBondContact O-N 2.82Å; L407-H423 VanDerWaalsContact CD2-CE1 3.41Å; L407-H423 WeakPolarHBondContact CD2-CE1 3.36Å
408	A	96.7	Very high	91.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-57.3	-40.7	175.7	0	0	0	0	0	112.4	H404 S405 L411 Q412 A420 H423 Y424	H404-A408 WeakPolarHBondContact O-CB 3.32Å; H404-A408 PolarHBondContact O-N 3.3Å; S405-A408 PolarHBondContact O-N 2.84Å; A408-L411 PolarHBondContact O-N 3.19Å; A408-Q412 WeakPolarHBondContact O-CB 3.47Å; A408-Q412 PolarHBondContact O-N 3.13Å; A408-A420 HydrophobicContact CB-CB 4.39Å; A408-A420 WeakPolarHBondContact CB-O 3.48Å; A408-A420 VanDerWaalsContact O-CB 3.29Å; A408-A420 WeakPolarHBondContact O-CB 3.49Å; A408-H423 HydrophobicContact CB-CB 3.74Å; A408-Y424 HydrophobicContact CB-CD1 3.69Å; A408-Y424 HydrophobicContact CB-CD2 3.7Å; A408-Y424 HydrophobicContact CB-CE1 3.52Å; A408-Y424 HydrophobicContact CB-CE2 3.55Å; A408-Y424 HydrophobicContact CB-CG 3.74Å; A408-Y424 VanDerWaalsContact CB-CZ 3.44Å
409	S	93.7	Very high	91.1	Very high	24 Å²	24	36.6 Å²	36.6	17%	0.168	20%	0.2	C	C	.	.	H	α-helix	trans	-62.6	-41.4	176.5	-177.4	0	0	0	0	112.5	S405 N406 L407 Q412 Q413 Y424	S405-S409 PolarHBondContact O-N 2.93Å; N406-S409 WeakPolarHBondContact O-CB 3.28Å; N406-S409 PolarHBondContact O-N 3.26Å; L407-S409 VanDerWaalsContact C-N 3.27Å; L407-S409 PolarHBondContact O-N 2.98Å; S409-Q412 PolarHBondContact O-N 2.96Å; S409-Q413 WeakPolarHBondContact O-CG 3.45Å; S409-Q413 PolarHBondContact O-N 3.08Å; S409-Q413 VanDerWaalsContact O-N 3.12Å; S409-Y424 VanDerWaalsContact CA-OH 3.31Å; S409-Y424 WeakPolarHBondContact CA-OH 3.31Å; S409-Y424 PolarHBondContact N-OH 2.77Å
410	I	89.7	Confident	91	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.3	-47.1	173.4	-70.8	-174.6	0	0	0	110.9	R378 I383 A386 Y390 N406 L407 Q412 Q413 Q414	R378-I410 HydrophobicContact CB-CD1 4.31Å; R378-I410 HydrophobicContact CG-CD1 3.99Å; R378-I410 HydrophobicContact CG-CG1 4.17Å; I383-I410 HydrophobicContact CG2-CG2 3.61Å; A386-I410 HydrophobicContact CB-CD1 3.82Å; Y390-I410 HydrophobicContact CD2-CD1 4.02Å; Y390-I410 HydrophobicContact CE2-CD1 3.57Å; Y390-I410 HydrophobicContact CE2-CG1 4.49Å; N406-I410 PolarHBondContact O-N 3.48Å; L407-I410 PolarHBondContact O-N 2.94Å; L407-I410 VanDerWaalsContact O-N 3.15Å; I410-Q412 PolarHBondContact O-N 3.3Å; I410-Q413 WeakPolarHBondContact O-CB 3.19Å; I410-Q413 PolarHBondContact O-N 2.64Å; I410-Q414 HydrophobicContact CG2-CG 4.19Å; I410-Q414 WeakPolarHBondContact O-CG 3.29Å; I410-Q414 PolarHBondContact O-N 3.27Å
411	L	89.3	Confident	91	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-58.5	-38.4	179.3	-70.2	169.7	0	0	0	111.6	L407 A408 Q414 G415 R416 E419 A420	L407-L411 HydrophobicContact CD1-CD1 4.31Å; L407-L411 HydrophobicContact CD1-CG 4.25Å; L407-L411 HydrophobicContact CG-CD1 4Å; L407-L411 HydrophobicContact CG-CG 4.42Å; L407-L411 WeakPolarHBondContact O-CG 3.16Å; L407-L411 PolarHBondContact O-N 2.82Å; A408-L411 PolarHBondContact O-N 3.19Å; L411-Q414 CarbonylContact O-C 3.53Å; L411-Q414 PolarHBondContact O-N 3.44Å; L411-G415 PolarHBondContact O-N 3.49Å; L411-R416 HydrophobicContact CB-CB 4.3Å; L411-R416 HydrophobicContact CD2-CB 4.18Å; L411-R416 VanDerWaalsContact CD2-CZ 3.41Å; L411-R416 VanDerWaalsContact CD2-NH1 3.34Å; L411-R416 WeakPolarHBondContact O-CA 3.49Å; L411-R416 PolarHBondContact O-N 3.29Å; L411-E419 HydrophobicContact CD1-CB 4.04Å; L411-A420 HydrophobicContact CB-CB 3.92Å
412	Q	88.9	Confident	91.1	Very high	30 Å²	30	36.1 Å²	36.1	14%	0.14	20%	0.201	C	C	.	.	H	α-helix	trans	-61.2	-48.5	172.8	-178	-173.3	14	0	0	111.4	A408 S409 I410 Q414 G415 L417 A420 T444	A408-Q412 WeakPolarHBondContact O-CB 3.47Å; A408-Q412 PolarHBondContact O-N 3.13Å; S409-Q412 PolarHBondContact O-N 2.96Å; I410-Q412 PolarHBondContact O-N 3.3Å; Q412-Q414 PolarHBondContact O-N 2.95Å; Q412-G415 PolarHBondContact O-N 3.37Å; Q412-L417 HydrophobicContact CG-CD2 4Å; Q412-A420 HydrophobicContact CB-CB 4.19Å; Q412-T444 PolarHBondContact NE2-OG1 3.34Å; Q412-T444 PolarHBondContact OE1-OG1 2.9Å
413	Q	81.6	Confident	91.2	Very high	108 Å²	108	36.6 Å²	36.6	51%	0.505	20%	0.198	S	C	.	.	H	α-helix	trans	-59.9	-33.2	177	-71.1	175.5	-2.9	0	0	112.4	S409 I410 G415	S409-Q413 WeakPolarHBondContact O-CG 3.45Å; S409-Q413 PolarHBondContact O-N 3.08Å; S409-Q413 VanDerWaalsContact O-N 3.12Å; I410-Q413 WeakPolarHBondContact O-CB 3.19Å; I410-Q413 PolarHBondContact O-N 2.64Å; Q413-G415 PolarHBondContact O-N 3.12Å
414	Q	77.9	Confident	91.3	Very high	28 Å²	28	36.6 Å²	36.6	13%	0.131	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-3	174.5	-63.4	179.5	-18.7	0	0	113.6	I410 L411 Q412 R416 V577	I410-Q414 HydrophobicContact CG2-CG 4.19Å; I410-Q414 WeakPolarHBondContact O-CG 3.29Å; I410-Q414 PolarHBondContact O-N 3.27Å; L411-Q414 CarbonylContact O-C 3.53Å; L411-Q414 PolarHBondContact O-N 3.44Å; Q412-Q414 PolarHBondContact O-N 2.95Å; Q414-R416 VanDerWaalsContact C-N 3.27Å; Q414-R416 HydrophobicContact CB-CG 4.41Å; Q414-R416 PolarHBondContact O-N 3.14Å; Q414-V577 HydrophobicContact CB-CG1 3.84Å; Q414-V577 HydrophobicContact CG-CG1 3.77Å
415	G	73.7	Confident	91.2	Very high	50 Å²	50	41.7 Å²	41.7	52%	0.515	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	6.5	-176.3	0	0	0	0	0	114.7	L411 Q412 Q413 L417	L411-G415 PolarHBondContact O-N 3.49Å; Q412-G415 PolarHBondContact O-N 3.37Å; Q413-G415 PolarHBondContact O-N 3.12Å; G415-L417 PolarHBondContact O-N 3.22Å
416	R	83	Confident	91.3	Very high	103 Å²	103	44.4 Å²	44.4	39%	0.389	23%	0.232	S	C	.	.			trans	-83.1	58.9	177	-65.4	168.9	66.5	-171.3	3.5	110.5	L411 Q414 T418 E419 A420	L411-R416 HydrophobicContact CB-CB 4.3Å; L411-R416 HydrophobicContact CD2-CB 4.18Å; L411-R416 VanDerWaalsContact CD2-CZ 3.41Å; L411-R416 VanDerWaalsContact CD2-NH1 3.34Å; L411-R416 WeakPolarHBondContact O-CA 3.49Å; L411-R416 PolarHBondContact O-N 3.29Å; Q414-R416 VanDerWaalsContact C-N 3.27Å; Q414-R416 HydrophobicContact CB-CG 4.41Å; Q414-R416 PolarHBondContact O-N 3.14Å; R416-T418 PolarHBondContact O-N 3.07Å; R416-E419 HydrophobicContact CB-CB 4.44Å; R416-E419 IonicContact CZ-OE1 3.83Å; R416-E419 IonicContact CZ-OE2 3.72Å; R416-E419 IonicContact NE-OE1 3.25Å; R416-E419 PolarHBondContact NE-OE1 3.18Å; R416-E419 IonicContact NE-OE2 3.78Å; R416-E419 IonicContact NH2-OE1 2.92Å; R416-E419 PolarHBondContact NH2-OE1 2.92Å; R416-E419 VanDerWaalsContact NH2-OE1 3.16Å; R416-E419 IonicContact NH2-OE2 2.91Å; R416-E419 PolarHBondContact NH2-OE2 3.39Å; R416-E419 PolarHBondContact O-N 3.35Å; R416-A420 PolarHBondContact O-N 2.88Å
417	L	86.5	Confident	91.3	Very high	28 Å²	28	43 Å²	43	15%	0.147	22%	0.224	C	C	.	.	H	α-helix	trans	-61.6	-40.6	-167.7	-53.1	-179.7	0	0	0	113	Q412 G415 E419 A420 L421 T444 E447 M448	Q412-L417 HydrophobicContact CG-CD2 4Å; G415-L417 PolarHBondContact O-N 3.22Å; L417-E419 VanDerWaalsContact C-N 3.31Å; L417-E419 PolarHBondContact O-N 2.93Å; L417-A420 WeakPolarHBondContact O-CB 3.43Å; L417-A420 PolarHBondContact O-N 3.34Å; L417-L421 WeakPolarHBondContact O-CG 3.33Å; L417-L421 PolarHBondContact O-N 3.42Å; L417-T444 HydrophobicContact CB-CG2 3.99Å; L417-T444 HydrophobicContact CD2-CG2 4.14Å; L417-E447 HydrophobicContact CD1-CB 4.22Å; L417-E447 HydrophobicContact CD1-CG 3.86Å; L417-E447 HydrophobicContact CD2-CG 4.44Å; L417-M448 HydrophobicContact CB-CG 3.75Å; L417-M448 HydrophobicContact CB-SD 3.68Å; L417-M448 HydrophobicContact CD1-CG 3.53Å; L417-M448 HydrophobicContact CG-CG 4.27Å
418	T	89.6	Confident	91.3	Very high	100 Å²	100	43.7 Å²	43.7	61%	0.613	23%	0.228	S	C	*	.	H	α-helix	trans	-62.1	-40.1	178.9	-48.8	0	0	0	0	111.9	R416 L421 V422	R416-T418 PolarHBondContact O-N 3.07Å; T418-L421 PolarHBondContact O-N 3.39Å; T418-V422 PolarHBondContact O-N 3.34Å
419	E	91.2	Very high	91.4	Very high	86 Å²	86	49.7 Å²	49.7	40%	0.402	25%	0.251	S	S	.	.	H	α-helix	trans	-72.7	-38.9	178.8	-61.2	-179.6	-102.4	0	0	110.9	L411 R416 L417 L421 V422 H423	L411-E419 HydrophobicContact CD1-CB 4.04Å; R416-E419 HydrophobicContact CB-CB 4.44Å; R416-E419 IonicContact CZ-OE1 3.83Å; R416-E419 IonicContact CZ-OE2 3.72Å; R416-E419 IonicContact NE-OE1 3.25Å; R416-E419 PolarHBondContact NE-OE1 3.18Å; R416-E419 IonicContact NE-OE2 3.78Å; R416-E419 IonicContact NH2-OE1 2.92Å; R416-E419 PolarHBondContact NH2-OE1 2.92Å; R416-E419 VanDerWaalsContact NH2-OE1 3.16Å; R416-E419 IonicContact NH2-OE2 2.91Å; R416-E419 PolarHBondContact NH2-OE2 3.39Å; R416-E419 PolarHBondContact O-N 3.35Å; L417-E419 VanDerWaalsContact C-N 3.31Å; L417-E419 PolarHBondContact O-N 2.93Å; E419-L421 VanDerWaalsContact C-N 3.29Å; E419-L421 PolarHBondContact O-N 3.11Å; E419-V422 PolarHBondContact O-N 3.24Å; E419-V422 VanDerWaalsContact O-N 3.14Å; E419-H423 PolarHBondContact O-CD2 3.37Å; E419-H423 PolarHBondContact O-N 3.02Å
420	A	94.9	Very high	91.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-56	-43.7	171.9	0	0	0	0	0	111.8	A408 L411 Q412 R416 L417 V422 H423 Y424 T444	A408-A420 HydrophobicContact CB-CB 4.39Å; A408-A420 WeakPolarHBondContact CB-O 3.48Å; A408-A420 VanDerWaalsContact O-CB 3.29Å; A408-A420 WeakPolarHBondContact O-CB 3.49Å; L411-A420 HydrophobicContact CB-CB 3.92Å; Q412-A420 HydrophobicContact CB-CB 4.19Å; R416-A420 PolarHBondContact O-N 2.88Å; L417-A420 WeakPolarHBondContact O-CB 3.43Å; L417-A420 PolarHBondContact O-N 3.34Å; A420-V422 VanDerWaalsContact C-N 3.33Å; A420-V422 PolarHBondContact O-N 3.05Å; A420-H423 PolarHBondContact O-N 3.13Å; A420-Y424 HydrophobicContact CB-CE2 4.32Å; A420-Y424 WeakPolarHBondContact O-CD2 3.44Å; A420-Y424 PolarHBondContact O-N 2.95Å; A420-T444 HydrophobicContact CB-CG2 4.27Å
421	L	96.8	Very high	91.9	Very high	19 Å²	19	52 Å²	52	10%	0.099	26%	0.264	C	S	.	.	H	α-helix	trans	-62.3	-36.6	176.9	-70.3	-176.8	0	0	0	113.3	L417 T418 E419 K425 M441 T444 L445 M448	L417-L421 WeakPolarHBondContact O-CG 3.33Å; L417-L421 PolarHBondContact O-N 3.42Å; T418-L421 PolarHBondContact O-N 3.39Å; E419-L421 VanDerWaalsContact C-N 3.29Å; E419-L421 PolarHBondContact O-N 3.11Å; L421-K425 WeakPolarHBondContact O-CB 3.18Å; L421-K425 VanDerWaalsContact O-CG 3.26Å; L421-K425 WeakPolarHBondContact O-CG 3.28Å; L421-K425 PolarHBondContact O-N 3.23Å; L421-M441 HydrophobicContact CD2-CG 3.69Å; L421-T444 HydrophobicContact CD2-CG2 3.77Å; L421-T444 HydrophobicContact CG-CG2 3.95Å; L421-L445 HydrophobicContact CD1-CD2 3.75Å; L421-L445 HydrophobicContact CD2-CD2 3.84Å; L421-L445 HydrophobicContact CD2-CG 3.9Å; L421-L445 HydrophobicContact CG-CD2 4.48Å; L421-M448 HydrophobicContact CD1-CE 4.24Å; L421-M448 HydrophobicContact CD1-SD 3.48Å; L421-M448 WeakPolarHBondContact CD1-SD 3.46Å; L421-M448 HydrophobicContact CG-SD 4.18Å
422	V	97.5	Very high	92.2	Very high	84 Å²	84	55.2 Å²	55.2	51%	0.509	29%	0.286	S	S	.	.	H	α-helix	trans	-61.9	-48.8	176.3	173.8	0	0	0	0	109.8	T418 E419 A420 Y424 K425 E426	T418-V422 PolarHBondContact O-N 3.34Å; E419-V422 PolarHBondContact O-N 3.24Å; E419-V422 VanDerWaalsContact O-N 3.14Å; A420-V422 VanDerWaalsContact C-N 3.33Å; A420-V422 PolarHBondContact O-N 3.05Å; V422-Y424 PolarHBondContact O-N 3.1Å; V422-K425 PolarHBondContact O-N 3.11Å; V422-E426 PolarHBondContact O-N 3.47Å
423	H	97.8	Very high	92.6	Very high	42 Å²	42	58.9 Å²	58.9	19%	0.194	31%	0.31	C	S	.	.	H	α-helix	trans	-66.9	-37.8	179.4	-76.1	-79.6	0	0	0	113	H404 L407 A408 E419 A420 K425 E426 A427	H404-H423 AromaticContact CE1-ND1 3.58Å; H404-H423 AromaticContact CG-ND1 3.99Å; H404-H423 AromaticContact ND1-CE1 3.97Å; H404-H423 AromaticContact ND1-CG 3.8Å; H404-H423 AromaticContact ND1-ND1 2.98Å; H404-H423 PolarHBondContact ND1-ND1 3.29Å; H404-H423 WeakPolarHBondContact O-CB 3.34Å; L407-H423 VanDerWaalsContact CD2-CE1 3.41Å; L407-H423 WeakPolarHBondContact CD2-CE1 3.36Å; A408-H423 HydrophobicContact CB-CB 3.74Å; E419-H423 PolarHBondContact O-CD2 3.37Å; E419-H423 PolarHBondContact O-N 3.02Å; A420-H423 PolarHBondContact O-N 3.13Å; H423-K425 PolarHBondContact O-N 2.73Å; H423-E426 PolarHBondContact O-N 2.54Å; H423-A427 PolarHBondContact O-N 2.96Å
424	Y	98.2	Very high	93.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.3	-40	173.2	-75.3	-53	0	0	0	112.6	A408 S409 A420 V422 A427 I428 A437 N440 M441	A408-Y424 HydrophobicContact CB-CD1 3.69Å; A408-Y424 HydrophobicContact CB-CD2 3.7Å; A408-Y424 HydrophobicContact CB-CE1 3.52Å; A408-Y424 HydrophobicContact CB-CE2 3.55Å; A408-Y424 HydrophobicContact CB-CG 3.74Å; A408-Y424 VanDerWaalsContact CB-CZ 3.44Å; S409-Y424 VanDerWaalsContact CA-OH 3.31Å; S409-Y424 WeakPolarHBondContact CA-OH 3.31Å; S409-Y424 PolarHBondContact N-OH 2.77Å; A420-Y424 HydrophobicContact CB-CE2 4.32Å; A420-Y424 WeakPolarHBondContact O-CD2 3.44Å; A420-Y424 PolarHBondContact O-N 2.95Å; V422-Y424 PolarHBondContact O-N 3.1Å; Y424-A427 PolarHBondContact O-N 3.28Å; Y424-I428 WeakPolarHBondContact O-CD1 3.35Å; Y424-I428 VanDerWaalsContact O-CG1 3.31Å; Y424-I428 WeakPolarHBondContact O-CG1 3.45Å; Y424-I428 PolarHBondContact O-N 2.92Å; Y424-A437 HydrophobicContact CD1-CB 4.37Å; Y424-N440 HydrophobicContact CE1-CB 3.62Å; Y424-N440 HydrophobicContact CE2-CB 4.35Å; Y424-N440 WeakPolarHBondContact OH-CB 3.4Å; Y424-M441 HydrophobicContact CD2-CB 4.02Å; Y424-M441 HydrophobicContact CD2-CG 4.36Å; Y424-M441 HydrophobicContact CG-CB 3.93Å; Y424-M441 HydrophobicContact CG-CG 4.4Å
425	K	97.9	Very high	94.1	Very high	127 Å²	127	55.1 Å²	55.1	55%	0.552	29%	0.293	S	S	*	.	H	α-helix	trans	-63.1	-41.4	176.1	-76	173.9	-179	179.4	0	111.9	L421 V422 H423 I428 R429 M441	L421-K425 WeakPolarHBondContact O-CB 3.18Å; L421-K425 VanDerWaalsContact O-CG 3.26Å; L421-K425 WeakPolarHBondContact O-CG 3.28Å; L421-K425 PolarHBondContact O-N 3.23Å; V422-K425 PolarHBondContact O-N 3.11Å; H423-K425 PolarHBondContact O-N 2.73Å; K425-I428 PolarHBondContact O-N 3.37Å; K425-R429 WeakPolarHBondContact O-CB 3.3Å; K425-R429 PolarHBondContact O-N 3.44Å; K425-M441 HydrophobicContact CG-SD 4.16Å
426	E	98	Very high	95.1	Very high	63 Å²	63	56.4 Å²	56.4	29%	0.294	29%	0.288	S	S	.	.	H	α-helix	trans	-63.4	-45.8	173.8	-71.9	-54.9	134.4	0	0	111.7	V422 H423 I428 R429 I430	V422-E426 PolarHBondContact O-N 3.47Å; H423-E426 PolarHBondContact O-N 2.54Å; E426-I428 VanDerWaalsContact C-N 3.26Å; E426-I428 PolarHBondContact O-N 2.76Å; E426-R429 WeakPolarHBondContact O-CB 3.46Å; E426-R429 PolarHBondContact O-N 2.85Å; E426-R429 VanDerWaalsContact O-N 3.1Å; E426-R429 IonicContact OE1-NE 3.4Å; E426-R429 IonicContact OE2-CZ 3.52Å; E426-R429 VanDerWaalsContact OE2-CZ 3.26Å; E426-R429 IonicContact OE2-NE 3.67Å; E426-R429 PolarHBondContact OE2-NE 3.37Å; E426-R429 IonicContact OE2-NH2 2.71Å; E426-R429 PolarHBondContact OE2-NH2 2.93Å; E426-I430 WeakPolarHBondContact O-CD1 3.5Å; E426-I430 VanDerWaalsContact O-CG1 3.22Å; E426-I430 WeakPolarHBondContact O-CG1 3.43Å; E426-I430 PolarHBondContact O-N 2.83Å
427	A	98.1	Very high	95.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56.1	-41.5	175.8	0	0	0	0	0	112.3	A401 H404 H423 Y424 A431 F434 A437	A401-A427 HydrophobicContact CB-CB 4.49Å; A401-A427 WeakPolarHBondContact O-CB 3.45Å; H404-A427 HydrophobicContact CB-CB 3.88Å; H423-A427 PolarHBondContact O-N 2.96Å; Y424-A427 PolarHBondContact O-N 3.28Å; A427-A431 PolarHBondContact O-N 2.73Å; A427-F434 HydrophobicContact CB-CD1 4.39Å; A427-A437 HydrophobicContact CB-CB 4.29Å
428	I	97	Very high	96.3	Very high	21 Å²	21	51.8 Å²	51.8	11%	0.108	27%	0.269	C	S	.	.	H	α-helix	trans	-72.5	-36	177.8	-69.5	163.7	0	0	0	111.9	Y424 K425 E426 I430 A431 P432 A437 Y438 M441	Y424-I428 WeakPolarHBondContact O-CD1 3.35Å; Y424-I428 VanDerWaalsContact O-CG1 3.31Å; Y424-I428 WeakPolarHBondContact O-CG1 3.45Å; Y424-I428 PolarHBondContact O-N 2.92Å; K425-I428 PolarHBondContact O-N 3.37Å; E426-I428 VanDerWaalsContact C-N 3.26Å; E426-I428 PolarHBondContact O-N 2.76Å; I428-I430 VanDerWaalsContact C-N 3.33Å; I428-A431 CarbonylContact O-C 3.28Å; I428-A431 VanDerWaalsContact O-C 3.23Å; I428-P432 VanDerWaalsContact O-CA 3.25Å; I428-P432 WeakPolarHBondContact O-CA 3.29Å; I428-P432 VanDerWaalsContact O-N 3.1Å; I428-A437 HydrophobicContact CD1-CB 4.47Å; I428-A437 HydrophobicContact CG1-CB 3.97Å; I428-Y438 HydrophobicContact CD1-CD1 3.78Å; I428-Y438 HydrophobicContact CD1-CD2 4.39Å; I428-Y438 HydrophobicContact CD1-CE1 3.84Å; I428-Y438 HydrophobicContact CD1-CE2 4.45Å; I428-Y438 HydrophobicContact CD1-CG 4.07Å; I428-Y438 HydrophobicContact CG1-CD1 4.49Å; I428-Y438 HydrophobicContact CG1-CD2 4.3Å; I428-Y438 HydrophobicContact CG1-CE1 4.33Å; I428-Y438 HydrophobicContact CG1-CE2 4.15Å; I428-Y438 HydrophobicContact CG1-CG 4.47Å; I428-Y438 HydrophobicContact CG2-CE1 3.94Å; I428-Y438 HydrophobicContact CG2-CE2 4Å; I428-Y438 VanDerWaalsContact CG2-CZ 3.45Å; I428-Y438 VanDerWaalsContact CG2-OH 3.23Å; I428-Y438 WeakPolarHBondContact CG2-OH 3.4Å; I428-M441 HydrophobicContact CD1-CE 3.67Å; I428-M441 HydrophobicContact CD1-SD 3.85Å
429	R	97.9	Very high	96.7	Very high	127 Å²	127	47.1 Å²	47.1	48%	0.479	24%	0.241	S	C	.	.	H	α-helix	trans	-61.7	-44.8	174.7	-176.9	-169.7	62.3	73	-3.4	110.6	E399 K425 E426	E399-R429 IonicContact OE1-CZ 2.79Å; E399-R429 IonicContact OE1-NH1 3.18Å; E399-R429 IonicContact OE1-NH2 2.69Å; E399-R429 PolarHBondContact OE1-NH2 2.81Å; E399-R429 IonicContact OE2-CZ 2.85Å; E399-R429 IonicContact OE2-NH1 3.99Å; E399-R429 PolarHBondContact OE2-NH1 2.79Å; E399-R429 IonicContact OE2-NH2 2.82Å; E399-R429 PolarHBondContact OE2-NH2 2.89Å; K425-R429 WeakPolarHBondContact O-CB 3.3Å; K425-R429 PolarHBondContact O-N 3.44Å; E426-R429 WeakPolarHBondContact O-CB 3.46Å; E426-R429 PolarHBondContact O-N 2.85Å; E426-R429 VanDerWaalsContact O-N 3.1Å; E426-R429 IonicContact OE1-NE 3.4Å; E426-R429 IonicContact OE2-CZ 3.52Å; E426-R429 VanDerWaalsContact OE2-CZ 3.26Å; E426-R429 IonicContact OE2-NE 3.67Å; E426-R429 PolarHBondContact OE2-NE 3.37Å; E426-R429 IonicContact OE2-NH2 2.71Å; E426-R429 PolarHBondContact OE2-NH2 2.93Å
430	I	97.5	Very high	97	Very high	43 Å²	43	45.2 Å²	45.2	22%	0.221	23%	0.233	C	C	.	.	H	α-helix	trans	-69.7	-46.1	179.4	-62	158.9	0	0	0	110.3	E399 A401 E426 I428	E399-I430 HydrophobicContact CB-CG2 4.43Å; E399-I430 WeakPolarHBondContact O-CG2 3.04Å; A401-I430 HydrophobicContact CB-CB 4.03Å; A401-I430 HydrophobicContact CB-CG2 3.84Å; E426-I430 WeakPolarHBondContact O-CD1 3.5Å; E426-I430 VanDerWaalsContact O-CG1 3.22Å; E426-I430 WeakPolarHBondContact O-CG1 3.43Å; E426-I430 PolarHBondContact O-N 2.83Å; I428-I430 VanDerWaalsContact C-N 3.33Å
431	A	96.1	Very high	97.1	Very high	28 Å²	28	46.2 Å²	46.2	23%	0.231	24%	0.238	C	C	.	.			trans	-128.4	86.1	-177.8	0	0	0	0	0	111.6	A401 A427 I428 T433 F434	A401-A431 HydrophobicContact CB-CB 3.93Å; A427-A431 PolarHBondContact O-N 2.73Å; I428-A431 CarbonylContact O-C 3.28Å; I428-A431 VanDerWaalsContact O-C 3.23Å; A431-T433 PolarHBondContact O-N 2.88Å; A431-F434 HydrophobicContact CB-CB 4.03Å; A431-F434 VanDerWaalsContact O-CB 3.24Å; A431-F434 WeakPolarHBondContact O-CB 3.45Å; A431-F434 PolarHBondContact O-N 3.24Å
432	P	97.1	Very high	97.1	Very high	72 Å²	72	45.3 Å²	45.3	47%	0.468	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-10	-177.2	-25.7	35.4	0	0	0	115.8	I428 Y438	I428-P432 VanDerWaalsContact O-CA 3.25Å; I428-P432 WeakPolarHBondContact O-CA 3.29Å; I428-P432 VanDerWaalsContact O-N 3.1Å; P432-Y438 WeakPolarHBondContact O-CE2 3.34Å
433	T	95.6	Very high	97	Very high	107 Å²	107	43.4 Å²	43.4	66%	0.656	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.4	13.5	176.3	56.2	0	0	0	0	112.6	A431 A435 I464	A431-T433 PolarHBondContact O-N 2.88Å; T433-A435 PolarHBondContact O-N 3.28Å; T433-I464 VanDerWaalsContact O-CG2 3.29Å; T433-I464 WeakPolarHBondContact O-CG2 3.42Å
434	F	96	Very high	96.9	Very high	50 Å²	50	41.4 Å²	41.4	22%	0.219	21%	0.211	C	C	.	.			trans	-81.1	85.4	-179.2	-163	-179.6	0	0	0	111.4	A401 A427 A431 D436 A437 Y438	A401-F434 HydrophobicContact CB-CD1 4.25Å; A401-F434 HydrophobicContact CB-CE1 4.44Å; A427-F434 HydrophobicContact CB-CD1 4.39Å; A431-F434 HydrophobicContact CB-CB 4.03Å; A431-F434 VanDerWaalsContact O-CB 3.24Å; A431-F434 WeakPolarHBondContact O-CB 3.45Å; A431-F434 PolarHBondContact O-N 3.24Å; F434-D436 VanDerWaalsContact C-N 3.34Å; F434-D436 HydrophobicContact CD2-CB 4.2Å; F434-D436 HydrophobicContact CE2-CB 3.86Å; F434-D436 PolarHBondContact O-N 3.12Å; F434-A437 HydrophobicContact CB-CB 4.17Å; F434-A437 HydrophobicContact CD1-CB 3.8Å; F434-A437 HydrophobicContact CE1-CB 4.34Å; F434-A437 HydrophobicContact CG-CB 3.89Å; F434-A437 PolarHBondContact O-N 3.49Å; F434-Y438 WeakPolarHBondContact O-CD2 3.1Å; F434-Y438 PolarHBondContact O-N 2.99Å
435	A	95.7	Very high	96.8	Very high	7 Å²	7	42.3 Å²	42.3	6%	0.058	22%	0.216	C	C	.	.	H	α-helix	trans	-57.2	-41.3	-173.8	0	0	0	0	0	113.7	T433 A437 Y438 S439 I464 N465 F468	T433-A435 PolarHBondContact O-N 3.28Å; A435-A437 VanDerWaalsContact C-N 3.34Å; A435-A437 PolarHBondContact O-N 3.33Å; A435-Y438 WeakPolarHBondContact O-CB 3.42Å; A435-Y438 PolarHBondContact O-N 3.42Å; A435-S439 PolarHBondContact O-N 3.48Å; A435-I464 HydrophobicContact CB-CB 4.27Å; A435-I464 HydrophobicContact CB-CG2 3.95Å; A435-N465 HydrophobicContact CB-CB 4.09Å; A435-F468 HydrophobicContact CB-CD1 4.07Å; A435-F468 HydrophobicContact CB-CE1 4.13Å
436	D	94.8	Very high	96.5	Very high	77 Å²	77	39.3 Å²	39.3	41%	0.412	20%	0.203	S	C	.	.	H	α-helix	trans	-60.5	-41.2	178.8	-61.8	-87.3	0	0	0	112.5	F434 Y438 S439 N440 F468	F434-D436 VanDerWaalsContact C-N 3.34Å; F434-D436 HydrophobicContact CD2-CB 4.2Å; F434-D436 HydrophobicContact CE2-CB 3.86Å; F434-D436 PolarHBondContact O-N 3.12Å; D436-Y438 VanDerWaalsContact C-N 3.33Å; D436-Y438 PolarHBondContact O-N 3.47Å; D436-S439 PolarHBondContact O-N 3.48Å; D436-N440 WeakPolarHBondContact O-CB 3.22Å; D436-N440 PolarHBondContact O-N 3.34Å; D436-N440 PolarHBondContact O-ND2 2.74Å; D436-F468 WeakPolarHBondContact OD1-CZ 3.43Å
437	A	96.8	Very high	95.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.2	-40.6	177.2	0	0	0	0	0	111.5	Y424 A427 I428 F434 A435 M441	Y424-A437 HydrophobicContact CD1-CB 4.37Å; A427-A437 HydrophobicContact CB-CB 4.29Å; I428-A437 HydrophobicContact CD1-CB 4.47Å; I428-A437 HydrophobicContact CG1-CB 3.97Å; F434-A437 HydrophobicContact CB-CB 4.17Å; F434-A437 HydrophobicContact CD1-CB 3.8Å; F434-A437 HydrophobicContact CE1-CB 4.34Å; F434-A437 HydrophobicContact CG-CB 3.89Å; F434-A437 PolarHBondContact O-N 3.49Å; A435-A437 VanDerWaalsContact C-N 3.34Å; A435-A437 PolarHBondContact O-N 3.33Å; A437-M441 WeakPolarHBondContact O-CB 3.32Å; A437-M441 PolarHBondContact O-N 2.89Å
438	Y	98.1	Very high	95.4	Very high	35 Å²	35	44.2 Å²	44.2	14%	0.137	23%	0.226	C	C	.	.	H	α-helix	trans	-62.9	-48.9	173	-78.2	-76.5	0	0	0	112.1	I428 P432 F434 A435 D436 N440 M441 G442 C457 R460 I464	I428-Y438 HydrophobicContact CD1-CD1 3.78Å; I428-Y438 HydrophobicContact CD1-CD2 4.39Å; I428-Y438 HydrophobicContact CD1-CE1 3.84Å; I428-Y438 HydrophobicContact CD1-CE2 4.45Å; I428-Y438 HydrophobicContact CD1-CG 4.07Å; I428-Y438 HydrophobicContact CG1-CD1 4.49Å; I428-Y438 HydrophobicContact CG1-CD2 4.3Å; I428-Y438 HydrophobicContact CG1-CE1 4.33Å; I428-Y438 HydrophobicContact CG1-CE2 4.15Å; I428-Y438 HydrophobicContact CG1-CG 4.47Å; I428-Y438 HydrophobicContact CG2-CE1 3.94Å; I428-Y438 HydrophobicContact CG2-CE2 4Å; I428-Y438 VanDerWaalsContact CG2-CZ 3.45Å; I428-Y438 VanDerWaalsContact CG2-OH 3.23Å; I428-Y438 WeakPolarHBondContact CG2-OH 3.4Å; P432-Y438 WeakPolarHBondContact O-CE2 3.34Å; F434-Y438 WeakPolarHBondContact O-CD2 3.1Å; F434-Y438 PolarHBondContact O-N 2.99Å; A435-Y438 WeakPolarHBondContact O-CB 3.42Å; A435-Y438 PolarHBondContact O-N 3.42Å; D436-Y438 VanDerWaalsContact C-N 3.33Å; D436-Y438 PolarHBondContact O-N 3.47Å; Y438-N440 PolarHBondContact O-N 2.91Å; Y438-M441 HydrophobicContact CD1-CE 4.44Å; Y438-M441 PolarHBondContact O-N 2.86Å; Y438-G442 PolarHBondContact O-N 3.25Å; Y438-C457 WeakPolarHBondContact O-CB 3.2Å; Y438-R460 HydrophobicContact CD1-CB 4.05Å; Y438-R460 HydrophobicContact CD1-CG 3.82Å; Y438-R460 HydrophobicContact CD2-CG 4.16Å; Y438-R460 HydrophobicContact CE1-CB 4.23Å; Y438-R460 HydrophobicContact CE1-CG 3.6Å; Y438-R460 HydrophobicContact CE2-CG 3.95Å; Y438-R460 HydrophobicContact CG-CB 4.38Å; Y438-R460 HydrophobicContact CG-CG 4.08Å; Y438-I464 HydrophobicContact CD2-CD1 3.64Å; Y438-I464 HydrophobicContact CE2-CD1 3.52Å
439	S	97.5	Very high	94.8	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.014	25%	0.252	C	S	.	.	H	α-helix	trans	-60.1	-46.1	-179.3	-170.9	0	0	0	0	111.5	A435 D436 G442 N443 Y458	A435-S439 PolarHBondContact O-N 3.48Å; D436-S439 PolarHBondContact O-N 3.48Å; S439-G442 WeakPolarHBondContact O-CA 3.29Å; S439-G442 PolarHBondContact O-N 3.17Å; S439-G442 VanDerWaalsContact O-N 3.17Å; S439-N443 PolarHBondContact O-N 3.3Å; S439-Y458 WeakPolarHBondContact O-CE1 3.4Å
440	N	96.8	Very high	94.5	Very high	46 Å²	46	46.2 Å²	46.2	25%	0.246	25%	0.247	C	C	.	.	H	α-helix	trans	-70.2	-37.2	-179.8	-67.8	-27.2	0	0	0	112.8	Y424 D436 Y438 G442 N443 T444	Y424-N440 HydrophobicContact CE1-CB 3.62Å; Y424-N440 HydrophobicContact CE2-CB 4.35Å; Y424-N440 WeakPolarHBondContact OH-CB 3.4Å; D436-N440 WeakPolarHBondContact O-CB 3.22Å; D436-N440 PolarHBondContact O-N 3.34Å; D436-N440 PolarHBondContact O-ND2 2.74Å; Y438-N440 PolarHBondContact O-N 2.91Å; N440-G442 VanDerWaalsContact C-N 3.27Å; N440-G442 PolarHBondContact O-N 2.89Å; N440-N443 WeakPolarHBondContact O-CB 3.48Å; N440-N443 PolarHBondContact O-N 3.26Å; N440-N443 VanDerWaalsContact O-N 3.16Å; N440-T444 PolarHBondContact O-N 3.11Å; N440-T444 PolarHBondContact O-OG1 3.39Å
441	M	98	Very high	94.2	Very high	21 Å²	21	46.6 Å²	46.6	10%	0.103	25%	0.249	C	C	.	.	H	α-helix	trans	-59.9	-40.4	169.9	-171.2	171.7	75.2	0	0	111.1	L421 Y424 K425 I428 A437 Y438 N443 T444 L445 C457	L421-M441 HydrophobicContact CD2-CG 3.69Å; Y424-M441 HydrophobicContact CD2-CB 4.02Å; Y424-M441 HydrophobicContact CD2-CG 4.36Å; Y424-M441 HydrophobicContact CG-CB 3.93Å; Y424-M441 HydrophobicContact CG-CG 4.4Å; K425-M441 HydrophobicContact CG-SD 4.16Å; I428-M441 HydrophobicContact CD1-CE 3.67Å; I428-M441 HydrophobicContact CD1-SD 3.85Å; A437-M441 WeakPolarHBondContact O-CB 3.32Å; A437-M441 PolarHBondContact O-N 2.89Å; Y438-M441 HydrophobicContact CD1-CE 4.44Å; Y438-M441 PolarHBondContact O-N 2.86Å; M441-N443 VanDerWaalsContact C-N 3.32Å; M441-N443 PolarHBondContact O-N 2.99Å; M441-T444 PolarHBondContact O-N 3.48Å; M441-L445 HydrophobicContact CG-CD1 4.21Å; M441-L445 WeakPolarHBondContact O-CG 3.42Å; M441-L445 PolarHBondContact O-N 2.88Å; M441-C457 WeakPolarHBondContact CE-SG 3.41Å
442	G	97.6	Very high	94.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.2	-41.7	173.9	0	0	0	0	0	112.8	Y438 S439 N440 T444 L445 K446 A454 Y458	Y438-G442 PolarHBondContact O-N 3.25Å; S439-G442 WeakPolarHBondContact O-CA 3.29Å; S439-G442 PolarHBondContact O-N 3.17Å; S439-G442 VanDerWaalsContact O-N 3.17Å; N440-G442 VanDerWaalsContact C-N 3.27Å; N440-G442 PolarHBondContact O-N 2.89Å; G442-T444 VanDerWaalsContact C-N 3.35Å; G442-T444 PolarHBondContact O-N 3.26Å; G442-L445 PolarHBondContact O-N 2.87Å; G442-K446 WeakPolarHBondContact O-CB 3.4Å; G442-K446 PolarHBondContact O-N 3.41Å; G442-A454 VanDerWaalsContact O-CB 3.3Å; G442-A454 WeakPolarHBondContact O-CB 2.99Å; G442-Y458 VanDerWaalsContact C-CZ 3.5Å; G442-Y458 PolarHBondContact O-OH 3.48Å; G442-Y458 VanDerWaalsContact O-OH 3.09Å
443	N	95.2	Very high	94.1	Very high	43 Å²	43	48.3 Å²	48.3	23%	0.23	25%	0.249	C	C	.	.	H	α-helix	trans	-62.2	-43.4	175.6	-66.6	-29.7	0	0	0	111.4	S439 N440 M441 K446 E447 Y458 N474	S439-N443 PolarHBondContact O-N 3.3Å; N440-N443 WeakPolarHBondContact O-CB 3.48Å; N440-N443 PolarHBondContact O-N 3.26Å; N440-N443 VanDerWaalsContact O-N 3.16Å; M441-N443 VanDerWaalsContact C-N 3.32Å; M441-N443 PolarHBondContact O-N 2.99Å; N443-K446 PolarHBondContact O-N 2.9Å; N443-E447 PolarHBondContact O-N 2.77Å; N443-Y458 VanDerWaalsContact CA-OH 3.29Å; N443-Y458 WeakPolarHBondContact CA-OH 3.49Å; N443-Y458 PolarHBondContact N-OH 3.33Å; N443-Y458 VanDerWaalsContact N-OH 3.14Å; N443-Y458 PolarHBondContact OD1-OH 3.39Å; N443-N474 PolarHBondContact OD1-ND2 3.49Å; N443-N474 VanDerWaalsContact OD1-ND2 3.1Å
444	T	94.7	Very high	94.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64	-44.2	177.3	-56.5	0	0	0	0	111.4	Q412 L417 A420 L421 N440 M441 G442 K446 E447 M448	Q412-T444 PolarHBondContact NE2-OG1 3.34Å; Q412-T444 PolarHBondContact OE1-OG1 2.9Å; L417-T444 HydrophobicContact CB-CG2 3.99Å; L417-T444 HydrophobicContact CD2-CG2 4.14Å; A420-T444 HydrophobicContact CB-CG2 4.27Å; L421-T444 HydrophobicContact CD2-CG2 3.77Å; L421-T444 HydrophobicContact CG-CG2 3.95Å; N440-T444 PolarHBondContact O-N 3.11Å; N440-T444 PolarHBondContact O-OG1 3.39Å; M441-T444 PolarHBondContact O-N 3.48Å; G442-T444 VanDerWaalsContact C-N 3.35Å; G442-T444 PolarHBondContact O-N 3.26Å; T444-K446 VanDerWaalsContact C-N 3.34Å; T444-K446 PolarHBondContact O-N 2.65Å; T444-E447 PolarHBondContact O-N 3.43Å; T444-M448 HydrophobicContact CG2-SD 4.49Å; T444-M448 WeakPolarHBondContact O-CG 3.33Å; T444-M448 PolarHBondContact O-N 2.79Å
445	L	95.6	Very high	94.2	Very high	20 Å²	20	43.2 Å²	43.2	11%	0.105	22%	0.22	C	C	.	.	H	α-helix	trans	-62.4	-40.5	176.4	-70.7	169.5	0	0	0	111.9	L421 M441 G442 E447 M448 N449 D450 A454	L421-L445 HydrophobicContact CD1-CD2 3.75Å; L421-L445 HydrophobicContact CD2-CD2 3.84Å; L421-L445 HydrophobicContact CD2-CG 3.9Å; L421-L445 HydrophobicContact CG-CD2 4.48Å; M441-L445 HydrophobicContact CG-CD1 4.21Å; M441-L445 WeakPolarHBondContact O-CG 3.42Å; M441-L445 PolarHBondContact O-N 2.88Å; G442-L445 PolarHBondContact O-N 2.87Å; L445-E447 VanDerWaalsContact C-N 3.33Å; L445-E447 PolarHBondContact O-N 2.83Å; L445-M448 CarbonylContact O-C 3.54Å; L445-M448 WeakPolarHBondContact O-CA 3.37Å; L445-M448 PolarHBondContact O-N 2.98Å; L445-M448 VanDerWaalsContact O-N 3.15Å; L445-N449 PolarHBondContact O-N 2.81Å; L445-N449 VanDerWaalsContact O-N 3.11Å; L445-D450 HydrophobicContact CB-CB 4.25Å; L445-D450 HydrophobicContact CD2-CB 4.19Å; L445-D450 PolarHBondContact O-N 2.66Å; L445-A454 HydrophobicContact CB-CB 4.16Å
446	K	91.5	Very high	94.2	Very high	63 Å²	63	49.1 Å²	49.1	27%	0.274	25%	0.246	S	C	.	.	H	α-helix	trans	-61.3	-41.4	174.7	-172.2	-171.6	176.4	-168.7	0	111.6	G442 N443 T444 M448 N449 I451 A454 S477 I478 D481	G442-K446 WeakPolarHBondContact O-CB 3.4Å; G442-K446 PolarHBondContact O-N 3.41Å; N443-K446 PolarHBondContact O-N 2.9Å; T444-K446 VanDerWaalsContact C-N 3.34Å; T444-K446 PolarHBondContact O-N 2.65Å; K446-M448 VanDerWaalsContact C-N 3.28Å; K446-M448 PolarHBondContact O-N 3.3Å; K446-N449 WeakPolarHBondContact O-CA 3.49Å; K446-N449 PolarHBondContact O-N 3.32Å; K446-I451 HydrophobicContact CG-CD1 4.31Å; K446-A454 HydrophobicContact CB-CB 4.02Å; K446-S477 PolarHBondContact NZ-OG 3.24Å; K446-I478 HydrophobicContact CD-CD1 3.78Å; K446-I478 HydrophobicContact CG-CD1 3.93Å; K446-D481 IonicContact NZ-OD2 3.45Å
447	E	86.8	Confident	94.4	Very high	88 Å²	88	45.8 Å²	45.8	41%	0.411	23%	0.229	S	C	.	.	H	α-helix	trans	-65.3	-33	175.5	-168.9	167.4	-169.3	0	0	112	L417 N443 T444 L445 N449 K574	L417-E447 HydrophobicContact CD1-CB 4.22Å; L417-E447 HydrophobicContact CD1-CG 3.86Å; L417-E447 HydrophobicContact CD2-CG 4.44Å; N443-E447 PolarHBondContact O-N 2.77Å; T444-E447 PolarHBondContact O-N 3.43Å; L445-E447 VanDerWaalsContact C-N 3.33Å; L445-E447 PolarHBondContact O-N 2.83Å; E447-N449 PolarHBondContact O-N 3Å; E447-K574 IonicContact OE1-NZ 3.44Å; E447-K574 PolarHBondContact OE1-NZ 3.32Å; E447-K574 VanDerWaalsContact OE1-NZ 3.08Å
448	M	87.7	Confident	94.4	Very high	78 Å²	78	45.9 Å²	45.9	38%	0.384	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	4.6	169.9	-64.1	-178.1	69.2	0	0	113.9	L417 L421 T444 L445 K446 D450	L417-M448 HydrophobicContact CB-CG 3.75Å; L417-M448 HydrophobicContact CB-SD 3.68Å; L417-M448 HydrophobicContact CD1-CG 3.53Å; L417-M448 HydrophobicContact CG-CG 4.27Å; L421-M448 HydrophobicContact CD1-CE 4.24Å; L421-M448 HydrophobicContact CD1-SD 3.48Å; L421-M448 WeakPolarHBondContact CD1-SD 3.46Å; L421-M448 HydrophobicContact CG-SD 4.18Å; T444-M448 HydrophobicContact CG2-SD 4.49Å; T444-M448 WeakPolarHBondContact O-CG 3.33Å; T444-M448 PolarHBondContact O-N 2.79Å; L445-M448 CarbonylContact O-C 3.54Å; L445-M448 WeakPolarHBondContact O-CA 3.37Å; L445-M448 PolarHBondContact O-N 2.98Å; L445-M448 VanDerWaalsContact O-N 3.15Å; K446-M448 VanDerWaalsContact C-N 3.28Å; K446-M448 PolarHBondContact O-N 3.3Å; M448-D450 PolarHBondContact O-N 2.99Å
449	N	83.9	Confident	94.4	Very high	120 Å²	120	46.5 Å²	46.5	64%	0.642	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	17.8	-176.8	-161.3	49	0	0	0	114.9	L445 K446 E447 I451	L445-N449 PolarHBondContact O-N 2.81Å; L445-N449 VanDerWaalsContact O-N 3.11Å; K446-N449 WeakPolarHBondContact O-CA 3.49Å; K446-N449 PolarHBondContact O-N 3.32Å; E447-N449 PolarHBondContact O-N 3Å; N449-I451 PolarHBondContact O-N 3.45Å; N449-I451 VanDerWaalsContact O-N 3.17Å
450	D	90.8	Very high	94.4	Very high	71 Å²	71	51.1 Å²	51.1	38%	0.38	25%	0.254	S	S	.	.			trans	-84.6	80	168.1	-177.7	5.1	0	0	0	110.1	L445 M448 Q452 G453 A454	L445-D450 HydrophobicContact CB-CB 4.25Å; L445-D450 HydrophobicContact CD2-CB 4.19Å; L445-D450 PolarHBondContact O-N 2.66Å; M448-D450 PolarHBondContact O-N 2.99Å; D450-Q452 VanDerWaalsContact C-N 3.34Å; D450-Q452 PolarHBondContact O-N 3.35Å; D450-Q452 PolarHBondContact OD1-N 2.94Å; D450-G453 PolarHBondContact OD1-N 3.23Å; D450-A454 WeakPolarHBondContact O-CB 3.27Å; D450-A454 PolarHBondContact O-N 2.78Å
451	I	92.4	Very high	94.5	Very high	50 Å²	50	48.9 Å²	48.9	26%	0.256	24%	0.242	S	C	.	.	H	α-helix	trans	-65.8	-36.6	-176.4	-57.2	-54	0	0	0	112.1	K446 N449 A454 L455 I478	K446-I451 HydrophobicContact CG-CD1 4.31Å; N449-I451 PolarHBondContact O-N 3.45Å; N449-I451 VanDerWaalsContact O-N 3.17Å; I451-A454 PolarHBondContact O-N 3.37Å; I451-L455 WeakPolarHBondContact O-CB 3.38Å; I451-L455 PolarHBondContact O-N 3.11Å; I451-I478 HydrophobicContact CD1-CD1 4.32Å; I451-I478 HydrophobicContact CG2-CD1 4.32Å; I451-I478 HydrophobicContact CG2-CG2 3.83Å
452	Q	95	Very high	94.5	Very high	125 Å²	125	49.2 Å²	49.2	58%	0.584	24%	0.244	S	C	*	.	H	α-helix	trans	-71.2	-44.2	-179	-67	-58.9	-41.6	0	0	110.9	D450 A454 L455 Q456	D450-Q452 VanDerWaalsContact C-N 3.34Å; D450-Q452 PolarHBondContact O-N 3.35Å; D450-Q452 PolarHBondContact OD1-N 2.94Å; Q452-A454 VanDerWaalsContact C-N 3.34Å; Q452-A454 PolarHBondContact O-N 3.36Å; Q452-L455 PolarHBondContact O-N 2.96Å; Q452-Q456 WeakPolarHBondContact O-CG 3.32Å; Q452-Q456 PolarHBondContact O-N 3.46Å; Q452-Q456 VanDerWaalsContact O-N 3.12Å
453	G	95.6	Very high	94.5	Very high	11 Å²	11	55 Å²	55	11%	0.113	27%	0.271	C	S	.	.	H	α-helix	trans	-59.1	-45.2	172.5	0	0	0	0	0	111.7	D450 L455 Q456 C457	D450-G453 PolarHBondContact OD1-N 3.23Å; G453-L455 PolarHBondContact O-N 3.29Å; G453-Q456 PolarHBondContact O-N 3.18Å; G453-C457 PolarHBondContact O-N 2.93Å; G453-C457 PolarHBondContact O-SG 2.97Å
454	A	97.3	Very high	94.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59	-44.8	176.8	0	0	0	0	0	112.7	G442 L445 K446 D450 I451 Q452 Q456 C457 Y458	G442-A454 VanDerWaalsContact O-CB 3.3Å; G442-A454 WeakPolarHBondContact O-CB 2.99Å; L445-A454 HydrophobicContact CB-CB 4.16Å; K446-A454 HydrophobicContact CB-CB 4.02Å; D450-A454 WeakPolarHBondContact O-CB 3.27Å; D450-A454 PolarHBondContact O-N 2.78Å; I451-A454 PolarHBondContact O-N 3.37Å; Q452-A454 VanDerWaalsContact C-N 3.34Å; Q452-A454 PolarHBondContact O-N 3.36Å; A454-Q456 PolarHBondContact O-N 2.85Å; A454-C457 WeakPolarHBondContact O-CB 3.45Å; A454-C457 PolarHBondContact O-N 3.4Å; A454-Y458 HydrophobicContact CB-CE2 3.91Å; A454-Y458 WeakPolarHBondContact O-CD2 3.32Å; A454-Y458 PolarHBondContact O-N 3.03Å
455	L	96	Very high	94.7	Very high	51 Å²	51	58.2 Å²	58.2	27%	0.267	29%	0.288	S	S	.	.	H	α-helix	trans	-60.6	-44.2	178.5	-176	151.2	0	0	0	112.1	I451 Q452 G453 C457 Y458 T459 L475 I478	I451-L455 WeakPolarHBondContact O-CB 3.38Å; I451-L455 PolarHBondContact O-N 3.11Å; Q452-L455 PolarHBondContact O-N 2.96Å; G453-L455 PolarHBondContact O-N 3.29Å; L455-C457 VanDerWaalsContact C-N 3.34Å; L455-C457 PolarHBondContact O-N 3.04Å; L455-Y458 PolarHBondContact O-N 3.2Å; L455-T459 WeakPolarHBondContact O-CB 3.43Å; L455-T459 PolarHBondContact O-N 3.47Å; L455-T459 PolarHBondContact O-OG1 3.44Å; L455-L475 HydrophobicContact CG-CD1 4.24Å; L455-I478 HydrophobicContact CD1-CG2 4.3Å
456	Q	96.8	Very high	94.7	Very high	130 Å²	130	61.6 Å²	61.6	61%	0.607	31%	0.311	S	S	*	.	H	α-helix	trans	-62.2	-43.3	177.3	-69.6	176.1	8.9	0	0	111.3	Q452 G453 A454 T459 R460	Q452-Q456 WeakPolarHBondContact O-CG 3.32Å; Q452-Q456 PolarHBondContact O-N 3.46Å; Q452-Q456 VanDerWaalsContact O-N 3.12Å; G453-Q456 PolarHBondContact O-N 3.18Å; A454-Q456 PolarHBondContact O-N 2.85Å; Q456-T459 PolarHBondContact O-N 2.91Å; Q456-R460 WeakPolarHBondContact O-CB 3.47Å; Q456-R460 PolarHBondContact O-N 2.86Å
457	C	97.8	Very high	94.9	Very high	8 Å²	8	61.4 Å²	61.4	5%	0.054	32%	0.321	C	S	.	.	H	α-helix	trans	-60.2	-50.7	177.1	-72.6	0	0	0	0	112.8	Y438 M441 G453 A454 L455 T459 R460 A461	Y438-C457 WeakPolarHBondContact O-CB 3.2Å; M441-C457 WeakPolarHBondContact CE-SG 3.41Å; G453-C457 PolarHBondContact O-N 2.93Å; G453-C457 PolarHBondContact O-SG 2.97Å; A454-C457 WeakPolarHBondContact O-CB 3.45Å; A454-C457 PolarHBondContact O-N 3.4Å; L455-C457 VanDerWaalsContact C-N 3.34Å; L455-C457 PolarHBondContact O-N 3.04Å; C457-T459 VanDerWaalsContact C-N 3.35Å; C457-T459 PolarHBondContact O-N 3.3Å; C457-R460 PolarHBondContact O-N 3.23Å; C457-A461 PolarHBondContact O-N 3.48Å
458	Y	98	Very high	95.4	Very high	1 Å²	1	58.2 Å²	58.2	0%	0.004	31%	0.306	C	S	.	.	H	α-helix	trans	-64.1	-41.5	178.7	-56.9	-44.5	0	0	0	111.9	S439 G442 N443 A454 L455 R460 A461 I462 N474 I478	S439-Y458 WeakPolarHBondContact O-CE1 3.4Å; G442-Y458 VanDerWaalsContact C-CZ 3.5Å; G442-Y458 PolarHBondContact O-OH 3.48Å; G442-Y458 VanDerWaalsContact O-OH 3.09Å; N443-Y458 VanDerWaalsContact CA-OH 3.29Å; N443-Y458 WeakPolarHBondContact CA-OH 3.49Å; N443-Y458 PolarHBondContact N-OH 3.33Å; N443-Y458 VanDerWaalsContact N-OH 3.14Å; N443-Y458 PolarHBondContact OD1-OH 3.39Å; A454-Y458 HydrophobicContact CB-CE2 3.91Å; A454-Y458 WeakPolarHBondContact O-CD2 3.32Å; A454-Y458 PolarHBondContact O-N 3.03Å; L455-Y458 PolarHBondContact O-N 3.2Å; Y458-R460 VanDerWaalsContact C-N 3.3Å; Y458-R460 PolarHBondContact O-N 2.77Å; Y458-A461 PolarHBondContact O-N 3.32Å; Y458-I462 WeakPolarHBondContact O-CG1 3.46Å; Y458-I462 PolarHBondContact O-N 2.93Å; Y458-N474 HydrophobicContact CD1-CB 3.77Å; Y458-N474 HydrophobicContact CD2-CB 4.19Å; Y458-N474 HydrophobicContact CE1-CB 3.49Å; Y458-N474 VanDerWaalsContact CE1-CB 3.49Å; Y458-N474 HydrophobicContact CE2-CB 3.96Å; Y458-N474 HydrophobicContact CG-CB 4.12Å; Y458-I478 HydrophobicContact CD2-CG1 4.24Å; Y458-I478 HydrophobicContact CE2-CD1 4.39Å; Y458-I478 HydrophobicContact CE2-CG1 3.88Å
459	T	97.4	Very high	95.8	Very high	49 Å²	49	54.9 Å²	54.9	30%	0.301	29%	0.291	S	S	.	.	H	α-helix	trans	-60	-43.4	176.8	-57.5	0	0	0	0	110.7	L455 Q456 C457 I462 Q463	L455-T459 WeakPolarHBondContact O-CB 3.43Å; L455-T459 PolarHBondContact O-N 3.47Å; L455-T459 PolarHBondContact O-OG1 3.44Å; Q456-T459 PolarHBondContact O-N 2.91Å; C457-T459 VanDerWaalsContact C-N 3.35Å; C457-T459 PolarHBondContact O-N 3.3Å; T459-I462 PolarHBondContact O-N 3.05Å; T459-Q463 WeakPolarHBondContact O-CG 3.14Å; T459-Q463 PolarHBondContact O-N 3.38Å
460	R	97.6	Very high	96.4	Very high	98 Å²	98	52 Å²	52	37%	0.37	28%	0.275	S	S	.	.	H	α-helix	trans	-66.4	-41.6	177.7	-174.8	56.1	178.5	168.6	3.7	112.2	Y438 Q456 C457 Y458 I462 Q463 I464	Y438-R460 HydrophobicContact CD1-CB 4.05Å; Y438-R460 HydrophobicContact CD1-CG 3.82Å; Y438-R460 HydrophobicContact CD2-CG 4.16Å; Y438-R460 HydrophobicContact CE1-CB 4.23Å; Y438-R460 HydrophobicContact CE1-CG 3.6Å; Y438-R460 HydrophobicContact CE2-CG 3.95Å; Y438-R460 HydrophobicContact CG-CB 4.38Å; Y438-R460 HydrophobicContact CG-CG 4.08Å; Q456-R460 WeakPolarHBondContact O-CB 3.47Å; Q456-R460 PolarHBondContact O-N 2.86Å; C457-R460 PolarHBondContact O-N 3.23Å; Y458-R460 VanDerWaalsContact C-N 3.3Å; Y458-R460 PolarHBondContact O-N 2.77Å; R460-I462 VanDerWaalsContact C-N 3.3Å; R460-I462 PolarHBondContact O-N 3.41Å; R460-Q463 PolarHBondContact O-N 3Å; R460-I464 HydrophobicContact CG-CD1 3.99Å; R460-I464 WeakPolarHBondContact O-CG1 3.29Å; R460-I464 PolarHBondContact O-N 3.23Å
461	A	98.2	Very high	96.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58.2	-42.9	174.8	0	0	0	0	0	111.7	C457 Y458 I464 N465 F468 A471	C457-A461 PolarHBondContact O-N 3.48Å; Y458-A461 PolarHBondContact O-N 3.32Å; A461-I464 PolarHBondContact O-N 3.41Å; A461-N465 PolarHBondContact O-N 3.05Å; A461-F468 HydrophobicContact CB-CD1 4.1Å; A461-F468 HydrophobicContact CB-CE1 4.33Å; A461-A471 HydrophobicContact CB-CB 4.06Å
462	I	97.6	Very high	97	Very high	28 Å²	28	47.3 Å²	47.3	14%	0.144	25%	0.25	C	C	.	.	H	α-helix	trans	-68.5	-38	176.8	-66.2	164.1	0	0	0	111.8	Y458 T459 R460 I464 N465 P466 A471 L475	Y458-I462 WeakPolarHBondContact O-CG1 3.46Å; Y458-I462 PolarHBondContact O-N 2.93Å; T459-I462 PolarHBondContact O-N 3.05Å; R460-I462 VanDerWaalsContact C-N 3.3Å; R460-I462 PolarHBondContact O-N 3.41Å; I462-I464 VanDerWaalsContact C-N 3.31Å; I462-I464 PolarHBondContact O-N 2.81Å; I462-N465 CarbonylContact O-C 3.54Å; I462-N465 PolarHBondContact O-N 3.23Å; I462-P466 WeakPolarHBondContact O-CA 3.44Å; I462-P466 WeakPolarHBondContact O-CD 3.34Å; I462-A471 HydrophobicContact CD1-CB 4.33Å; I462-A471 HydrophobicContact CG1-CB 3.74Å; I462-L475 HydrophobicContact CD1-CB 4.44Å; I462-L475 HydrophobicContact CD1-CD2 3.86Å
463	Q	97.8	Very high	97.2	Very high	120 Å²	120	41.7 Å²	41.7	56%	0.561	23%	0.225	S	C	*	.	H	α-helix	trans	-62.6	-39.6	175.5	-75.6	173.8	-2.4	0	0	112.2	T459 R460	T459-Q463 WeakPolarHBondContact O-CG 3.14Å; T459-Q463 PolarHBondContact O-N 3.38Å; R460-Q463 PolarHBondContact O-N 3Å
464	I	97.2	Very high	97.2	Very high	47 Å²	47	43 Å²	43	24%	0.241	23%	0.229	C	C	.	.	H	α-helix	trans	-72.4	-45.6	178	-66.2	164.4	0	0	0	110.2	T433 A435 Y438 R460 A461 I462	T433-I464 VanDerWaalsContact O-CG2 3.29Å; T433-I464 WeakPolarHBondContact O-CG2 3.42Å; A435-I464 HydrophobicContact CB-CB 4.27Å; A435-I464 HydrophobicContact CB-CG2 3.95Å; Y438-I464 HydrophobicContact CD2-CD1 3.64Å; Y438-I464 HydrophobicContact CE2-CD1 3.52Å; R460-I464 HydrophobicContact CG-CD1 3.99Å; R460-I464 WeakPolarHBondContact O-CG1 3.29Å; R460-I464 PolarHBondContact O-N 3.23Å; A461-I464 PolarHBondContact O-N 3.41Å; I462-I464 VanDerWaalsContact C-N 3.31Å; I462-I464 PolarHBondContact O-N 2.81Å
465	N	96.9	Very high	97.2	Very high	65 Å²	65	44 Å²	44	35%	0.348	23%	0.234	S	C	.	.			trans	-130	93.1	178.6	-179	4.9	0	0	0	110.8	A435 A461 I462 A467 F468	A435-N465 HydrophobicContact CB-CB 4.09Å; A461-N465 PolarHBondContact O-N 3.05Å; I462-N465 CarbonylContact O-C 3.54Å; I462-N465 PolarHBondContact O-N 3.23Å; N465-A467 PolarHBondContact O-N 3.46Å; N465-A467 VanDerWaalsContact O-N 3.12Å; N465-A467 PolarHBondContact OD1-N 3.26Å; N465-A467 VanDerWaalsContact OD1-N 3.12Å; N465-F468 HydrophobicContact CB-CB 4.09Å; N465-F468 WeakPolarHBondContact O-CB 3.12Å; N465-F468 PolarHBondContact O-N 2.89Å
466	P	97.1	Very high	97.3	Very high	90 Å²	90	41.5 Å²	41.5	58%	0.584	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.4	179.3	-27.7	36.4	0	0	0	114.5	I462 F468 H472	I462-P466 WeakPolarHBondContact O-CA 3.44Å; I462-P466 WeakPolarHBondContact O-CD 3.34Å; P466-F468 VanDerWaalsContact C-N 3.29Å; P466-H472 PolarHBondContact O-NE2 3.13Å
467	A	95.5	Very high	97.2	Very high	60 Å²	60	36.3 Å²	36.3	50%	0.496	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	6.8	178	0	0	0	0	0	113.4	N465 A469 L498	N465-A467 PolarHBondContact O-N 3.46Å; N465-A467 VanDerWaalsContact O-N 3.12Å; N465-A467 PolarHBondContact OD1-N 3.26Å; N465-A467 VanDerWaalsContact OD1-N 3.12Å; A467-A469 PolarHBondContact O-N 3.35Å; A467-L498 HydrophobicContact CB-CD2 4.21Å
468	F	96.7	Very high	97	Very high	21 Å²	21	36.1 Å²	36.1	9%	0.092	20%	0.197	C	C	.	.			trans	-77.2	86.2	-176.8	-162.2	178.2	0	0	0	112.6	A435 D436 A461 N465 P466 D470 A471 H472	A435-F468 HydrophobicContact CB-CD1 4.07Å; A435-F468 HydrophobicContact CB-CE1 4.13Å; D436-F468 WeakPolarHBondContact OD1-CZ 3.43Å; A461-F468 HydrophobicContact CB-CD1 4.1Å; A461-F468 HydrophobicContact CB-CE1 4.33Å; N465-F468 HydrophobicContact CB-CB 4.09Å; N465-F468 WeakPolarHBondContact O-CB 3.12Å; N465-F468 PolarHBondContact O-N 2.89Å; P466-F468 VanDerWaalsContact C-N 3.29Å; F468-D470 VanDerWaalsContact C-N 3.33Å; F468-D470 HydrophobicContact CD2-CB 4.24Å; F468-D470 HydrophobicContact CE2-CB 3.91Å; F468-D470 PolarHBondContact O-N 3.32Å; F468-A471 HydrophobicContact CB-CB 4.17Å; F468-A471 HydrophobicContact CD1-CB 3.79Å; F468-A471 HydrophobicContact CE1-CB 4.36Å; F468-A471 HydrophobicContact CG-CB 3.89Å; F468-A471 PolarHBondContact O-N 3.23Å; F468-H472 PolarHBondContact O-CD2 2.97Å; F468-H472 VanDerWaalsContact O-CD2 3.23Å; F468-H472 PolarHBondContact O-N 3.2Å
469	A	97.1	Very high	96.9	Very high	7 Å²	7	37.8 Å²	37.8	6%	0.058	21%	0.205	C	C	.	.	H	α-helix	trans	-55.3	-41.9	-174.9	0	0	0	0	0	114	A467 A471 H472 S473 L498 K499 F502	A467-A469 PolarHBondContact O-N 3.35Å; A469-A471 PolarHBondContact O-N 3.41Å; A469-H472 PolarHBondContact O-N 2.82Å; A469-S473 PolarHBondContact O-N 3Å; A469-L498 HydrophobicContact CB-CB 3.96Å; A469-K499 HydrophobicContact CB-CB 3.67Å; A469-K499 HydrophobicContact CB-CD 4.3Å; A469-F502 HydrophobicContact CB-CD1 4.45Å; A469-F502 HydrophobicContact CB-CE1 4.31Å
470	D	96.1	Very high	96.7	Very high	59 Å²	59	37 Å²	37	32%	0.316	20%	0.198	S	C	.	.	H	α-helix	trans	-63.6	-39.6	-179.4	-58.1	-83.9	0	0	0	111.9	F468 H472 S473 N474 K499 F502	F468-D470 VanDerWaalsContact C-N 3.33Å; F468-D470 HydrophobicContact CD2-CB 4.24Å; F468-D470 HydrophobicContact CE2-CB 3.91Å; F468-D470 PolarHBondContact O-N 3.32Å; D470-H472 PolarHBondContact O-N 3.45Å; D470-S473 WeakPolarHBondContact O-CB 3.34Å; D470-S473 PolarHBondContact O-N 3.17Å; D470-N474 PolarHBondContact O-N 3.23Å; D470-N474 PolarHBondContact O-ND2 2.97Å; D470-K499 IonicContact OD1-NZ 3.73Å; D470-K499 IonicContact OD2-NZ 2.67Å; D470-F502 VanDerWaalsContact OD1-CZ 3.25Å; D470-F502 WeakPolarHBondContact OD1-CZ 3.45Å
471	A	97.3	Very high	96.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.9	-38.1	175.9	0	0	0	0	0	112.5	A461 I462 F468 A469 N474 L475	A461-A471 HydrophobicContact CB-CB 4.06Å; I462-A471 HydrophobicContact CD1-CB 4.33Å; I462-A471 HydrophobicContact CG1-CB 3.74Å; F468-A471 HydrophobicContact CB-CB 4.17Å; F468-A471 HydrophobicContact CD1-CB 3.79Å; F468-A471 HydrophobicContact CE1-CB 4.36Å; F468-A471 HydrophobicContact CG-CB 3.89Å; F468-A471 PolarHBondContact O-N 3.23Å; A469-A471 PolarHBondContact O-N 3.41Å; A471-N474 PolarHBondContact O-N 2.94Å; A471-L475 WeakPolarHBondContact O-CB 3.44Å; A471-L475 PolarHBondContact O-N 2.96Å
472	H	98.2	Very high	95.9	Very high	23 Å²	23	39.9 Å²	39.9	11%	0.106	23%	0.226	C	C	.	.	H	α-helix	trans	-63.1	-41.7	172.8	-74.7	-77.8	0	0	0	112.1	P466 F468 A469 D470 L475 A476 A495	P466-H472 PolarHBondContact O-NE2 3.13Å; F468-H472 PolarHBondContact O-CD2 2.97Å; F468-H472 VanDerWaalsContact O-CD2 3.23Å; F468-H472 PolarHBondContact O-N 3.2Å; A469-H472 PolarHBondContact O-N 2.82Å; D470-H472 PolarHBondContact O-N 3.45Å; H472-L475 PolarHBondContact O-N 3.43Å; H472-A476 WeakPolarHBondContact O-CB 3.37Å; H472-A476 PolarHBondContact O-N 3.32Å; H472-A495 HydrophobicContact CB-CB 3.97Å
473	S	98.2	Very high	95.5	Very high	8 Å²	8	41 Å²	41	6%	0.056	24%	0.244	C	C	.	.	H	α-helix	trans	-64.5	-42.4	176.6	-172.4	0	0	0	0	112	A469 D470 A476 S477	A469-S473 PolarHBondContact O-N 3Å; D470-S473 WeakPolarHBondContact O-CB 3.34Å; D470-S473 PolarHBondContact O-N 3.17Å; S473-A476 WeakPolarHBondContact O-CB 3.48Å; S473-A476 PolarHBondContact O-N 2.67Å; S473-S477 PolarHBondContact O-N 2.88Å
474	N	96.9	Very high	95.3	Very high	38 Å²	38	39 Å²	39	20%	0.203	24%	0.237	C	C	.	.	H	α-helix	trans	-66	-41.8	177.8	-67.8	-20.5	0	0	0	111.8	N443 Y458 D470 A471 S477 I478	N443-N474 PolarHBondContact OD1-ND2 3.49Å; N443-N474 VanDerWaalsContact OD1-ND2 3.1Å; Y458-N474 HydrophobicContact CD1-CB 3.77Å; Y458-N474 HydrophobicContact CD2-CB 4.19Å; Y458-N474 HydrophobicContact CE1-CB 3.49Å; Y458-N474 VanDerWaalsContact CE1-CB 3.49Å; Y458-N474 HydrophobicContact CE2-CB 3.96Å; Y458-N474 HydrophobicContact CG-CB 4.12Å; D470-N474 PolarHBondContact O-N 3.23Å; D470-N474 PolarHBondContact O-ND2 2.97Å; A471-N474 PolarHBondContact O-N 2.94Å; N474-S477 WeakPolarHBondContact O-CB 3.32Å; N474-S477 PolarHBondContact O-N 3.22Å; N474-I478 PolarHBondContact O-N 3.47Å
475	L	96.3	Very high	95.1	Very high	20 Å²	20	37.5 Å²	37.5	11%	0.105	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-42.1	173.2	-177.7	62.2	0	0	0	111.8	L455 I462 A471 H472 S477 I478 H479	L455-L475 HydrophobicContact CG-CD1 4.24Å; I462-L475 HydrophobicContact CD1-CB 4.44Å; I462-L475 HydrophobicContact CD1-CD2 3.86Å; A471-L475 WeakPolarHBondContact O-CB 3.44Å; A471-L475 PolarHBondContact O-N 2.96Å; H472-L475 PolarHBondContact O-N 3.43Å; L475-S477 VanDerWaalsContact C-N 3.26Å; L475-S477 PolarHBondContact O-N 2.92Å; L475-I478 PolarHBondContact O-N 2.91Å; L475-I478 VanDerWaalsContact O-N 3.1Å; L475-H479 PolarHBondContact O-N 3.16Å; L475-H479 VanDerWaalsContact O-N 3.08Å
476	A	97.7	Very high	95	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.2	-38.1	175.9	0	0	0	0	0	112.1	H472 S473 I478 H479 K480 A488 Y492	H472-A476 WeakPolarHBondContact O-CB 3.37Å; H472-A476 PolarHBondContact O-N 3.32Å; S473-A476 WeakPolarHBondContact O-CB 3.48Å; S473-A476 PolarHBondContact O-N 2.67Å; A476-I478 VanDerWaalsContact C-N 3.34Å; A476-I478 PolarHBondContact O-N 3.1Å; A476-H479 PolarHBondContact O-N 2.88Å; A476-K480 WeakPolarHBondContact O-CB 3.42Å; A476-K480 PolarHBondContact O-N 3.24Å; A476-A488 WeakPolarHBondContact O-CB 3.49Å; A476-Y492 HydrophobicContact CB-CD1 3.63Å; A476-Y492 HydrophobicContact CB-CD2 3.65Å; A476-Y492 HydrophobicContact CB-CE1 3.54Å; A476-Y492 HydrophobicContact CB-CE2 3.56Å; A476-Y492 HydrophobicContact CB-CG 3.66Å; A476-Y492 VanDerWaalsContact CB-CZ 3.49Å
477	S	95.2	Very high	94.9	Very high	21 Å²	21	35.6 Å²	35.6	15%	0.147	21%	0.214	C	C	.	.	H	α-helix	trans	-62.4	-39.8	174.9	-177	0	0	0	0	112.1	K446 S473 N474 L475 K480 D481 Y492	K446-S477 PolarHBondContact NZ-OG 3.24Å; S473-S477 PolarHBondContact O-N 2.88Å; N474-S477 WeakPolarHBondContact O-CB 3.32Å; N474-S477 PolarHBondContact O-N 3.22Å; L475-S477 VanDerWaalsContact C-N 3.26Å; L475-S477 PolarHBondContact O-N 2.92Å; S477-K480 PolarHBondContact O-N 3.27Å; S477-D481 WeakPolarHBondContact O-CB 3.34Å; S477-D481 PolarHBondContact O-N 3.46Å; S477-Y492 WeakPolarHBondContact CA-OH 3.29Å; S477-Y492 PolarHBondContact N-OH 3.39Å
478	I	94.3	Very high	95	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.015	19%	0.19	C	C	.	.	H	α-helix	trans	-64.3	-44.1	175.9	-62.1	-58.5	0	0	0	110.9	K446 I451 L455 Y458 N474 L475 A476 K480 D481 S482	K446-I478 HydrophobicContact CD-CD1 3.78Å; K446-I478 HydrophobicContact CG-CD1 3.93Å; I451-I478 HydrophobicContact CD1-CD1 4.32Å; I451-I478 HydrophobicContact CG2-CD1 4.32Å; I451-I478 HydrophobicContact CG2-CG2 3.83Å; L455-I478 HydrophobicContact CD1-CG2 4.3Å; Y458-I478 HydrophobicContact CD2-CG1 4.24Å; Y458-I478 HydrophobicContact CE2-CD1 4.39Å; Y458-I478 HydrophobicContact CE2-CG1 3.88Å; N474-I478 PolarHBondContact O-N 3.47Å; L475-I478 PolarHBondContact O-N 2.91Å; L475-I478 VanDerWaalsContact O-N 3.1Å; A476-I478 VanDerWaalsContact C-N 3.34Å; A476-I478 PolarHBondContact O-N 3.1Å; I478-K480 PolarHBondContact O-N 2.91Å; I478-D481 PolarHBondContact O-N 3.44Å; I478-S482 WeakPolarHBondContact O-CB 3.49Å; I478-S482 PolarHBondContact O-N 3.27Å; I478-S482 PolarHBondContact O-OG 3.5Å
479	H	95.3	Very high	95.1	Very high	37 Å²	37	32.4 Å²	32.4	17%	0.171	19%	0.189	C	C	.	.	H	α-helix	trans	-61	-44.7	176.5	-69.9	171.8	0	0	0	111.8	L475 A476 S482 G483 N484 E487 A488	L475-H479 PolarHBondContact O-N 3.16Å; L475-H479 VanDerWaalsContact O-N 3.08Å; A476-H479 PolarHBondContact O-N 2.88Å; H479-S482 CarbonylContact O-C 3.53Å; H479-S482 PolarHBondContact O-N 3.37Å; H479-G483 PolarHBondContact O-N 2.78Å; H479-N484 HydrophobicContact CB-CB 4.15Å; H479-N484 WeakPolarHBondContact O-CA 3.37Å; H479-N484 PolarHBondContact O-N 3Å; H479-E487 HydrophobicContact CB-CB 4.3Å; H479-E487 WeakPolarHBondContact ND1-CB 3.48Å; H479-A488 HydrophobicContact CB-CB 3.94Å
480	K	93.1	Very high	95.1	Very high	32 Å²	32	38.3 Å²	38.3	14%	0.139	22%	0.215	C	C	.	.	H	α-helix	trans	-58.1	-51.3	175.8	-179.9	-164.4	167.2	-168.9	0	111.1	A476 S477 I478 S482 G483 I485 A488	A476-K480 WeakPolarHBondContact O-CB 3.42Å; A476-K480 PolarHBondContact O-N 3.24Å; S477-K480 PolarHBondContact O-N 3.27Å; I478-K480 PolarHBondContact O-N 2.91Å; K480-S482 PolarHBondContact O-N 3.41Å; K480-G483 PolarHBondContact O-N 3Å; K480-I485 HydrophobicContact CG-CD1 4.35Å; K480-A488 HydrophobicContact CB-CB 3.96Å
481	D	88.6	Confident	95.2	Very high	89 Å²	89	36.4 Å²	36.4	48%	0.476	21%	0.206	S	C	.	.	H	α-helix	trans	-66.6	-22.2	-177.7	-64.5	-20.8	0	0	0	112.1	K446 S477 I478	K446-D481 IonicContact NZ-OD2 3.45Å; S477-D481 WeakPolarHBondContact O-CB 3.34Å; S477-D481 PolarHBondContact O-N 3.46Å; I478-D481 PolarHBondContact O-N 3.44Å
482	S	90.8	Very high	95.3	Very high	70 Å²	70	36.4 Å²	36.4	49%	0.49	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-3.8	174	-53.3	0	0	0	0	113.7	I478 H479 K480	I478-S482 WeakPolarHBondContact O-CB 3.49Å; I478-S482 PolarHBondContact O-N 3.27Å; I478-S482 PolarHBondContact O-OG 3.5Å; H479-S482 CarbonylContact O-C 3.53Å; H479-S482 PolarHBondContact O-N 3.37Å; K480-S482 PolarHBondContact O-N 3.41Å
483	G	88.4	Confident	95.3	Very high	50 Å²	50	40.9 Å²	40.9	52%	0.515	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	1.4	-177.4	0	0	0	0	0	115.5	H479 K480 I485	H479-G483 PolarHBondContact O-N 2.78Å; K480-G483 PolarHBondContact O-N 3Å; G483-I485 PolarHBondContact O-N 3.5Å
484	N	93.4	Very high	95.3	Very high	79 Å²	79	43.3 Å²	43.3	42%	0.422	24%	0.241	S	C	.	.			trans	-81.8	65.1	177	-63.2	-28.5	0	0	0	110.2	H479 E487 A488	H479-N484 HydrophobicContact CB-CB 4.15Å; H479-N484 WeakPolarHBondContact O-CA 3.37Å; H479-N484 PolarHBondContact O-N 3Å; N484-E487 HydrophobicContact CB-CB 4.39Å; N484-E487 WeakPolarHBondContact CB-OE2 3.49Å; N484-E487 PolarHBondContact O-N 3.14Å; N484-A488 PolarHBondContact O-N 3.3Å
485	I	94	Very high	95.4	Very high	16 Å²	16	41.5 Å²	41.5	8%	0.082	23%	0.231	C	C	.	.	H	α-helix	trans	-62.3	-42.6	-172.7	-51.8	-56	0	0	0	113.2	K480 G483 E487 A488 I489 C512 V515 I516	K480-I485 HydrophobicContact CG-CD1 4.35Å; G483-I485 PolarHBondContact O-N 3.5Å; I485-E487 VanDerWaalsContact C-N 3.34Å; I485-E487 PolarHBondContact O-N 3.09Å; I485-A488 WeakPolarHBondContact O-CB 3.26Å; I485-A488 PolarHBondContact O-N 3.27Å; I485-I489 HydrophobicContact CG2-CD1 3.91Å; I485-I489 HydrophobicContact CG2-CG1 4.36Å; I485-I489 WeakPolarHBondContact O-CG1 3.39Å; I485-I489 PolarHBondContact O-N 2.76Å; I485-C512 HydrophobicContact CG2-CB 4.12Å; I485-V515 HydrophobicContact CD1-CG1 4.49Å; I485-V515 HydrophobicContact CG1-CG1 4.25Å; I485-V515 HydrophobicContact CG2-CG1 4.5Å; I485-I516 HydrophobicContact CB-CG2 4.44Å; I485-I516 HydrophobicContact CG2-CG2 3.75Å
486	P	95	Very high	95.5	Very high	32 Å²	32	41.9 Å²	41.9	21%	0.208	23%	0.233	C	C	.	.	H	α-helix	trans	-58.4	-43.3	177.4	-24.6	35.1	0	0	0	113.2	I489 Q490 H922	P486-I489 PolarHBondContact O-N 2.93Å; P486-Q490 WeakPolarHBondContact O-CG 3.39Å; P486-Q490 PolarHBondContact O-N 2.8Å; P486-H922 WeakPolarHBondContact CG-NE2 3.22Å
487	E	95.6	Very high	95.5	Very high	83 Å²	83	50.7 Å²	50.7	39%	0.388	27%	0.271	S	S	.	.	H	α-helix	trans	-67.6	-39.8	178.6	-64.6	71.9	-162.9	0	0	110.8	H479 N484 I485 I489 Q490 S491	H479-E487 HydrophobicContact CB-CB 4.3Å; H479-E487 WeakPolarHBondContact ND1-CB 3.48Å; N484-E487 HydrophobicContact CB-CB 4.39Å; N484-E487 WeakPolarHBondContact CB-OE2 3.49Å; N484-E487 PolarHBondContact O-N 3.14Å; I485-E487 VanDerWaalsContact C-N 3.34Å; I485-E487 PolarHBondContact O-N 3.09Å; E487-I489 VanDerWaalsContact C-N 3.34Å; E487-I489 PolarHBondContact O-N 2.73Å; E487-Q490 PolarHBondContact O-N 2.98Å; E487-S491 PolarHBondContact O-N 3.39Å; E487-S491 PolarHBondContact O-OG 3.48Å
488	A	97.7	Very high	95.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.6	-44.7	173.2	0	0	0	0	0	111.7	A476 H479 K480 N484 I485 Q490 S491 Y492	A476-A488 WeakPolarHBondContact O-CB 3.49Å; H479-A488 HydrophobicContact CB-CB 3.94Å; K480-A488 HydrophobicContact CB-CB 3.96Å; N484-A488 PolarHBondContact O-N 3.3Å; I485-A488 WeakPolarHBondContact O-CB 3.26Å; I485-A488 PolarHBondContact O-N 3.27Å; A488-Q490 PolarHBondContact O-N 2.89Å; A488-S491 PolarHBondContact O-N 2.9Å; A488-Y492 HydrophobicContact CB-CE2 4.41Å; A488-Y492 WeakPolarHBondContact O-CD2 3.27Å; A488-Y492 PolarHBondContact O-N 3.28Å
489	I	98.1	Very high	95.8	Very high	14 Å²	14	56.9 Å²	56.9	7%	0.072	30%	0.298	C	S	.	.	H	α-helix	trans	-60.2	-45.1	177.5	-71.6	166.6	0	0	0	111	I485 P486 E487 K493 L509 C512 L513 I516	I485-I489 HydrophobicContact CG2-CD1 3.91Å; I485-I489 HydrophobicContact CG2-CG1 4.36Å; I485-I489 WeakPolarHBondContact O-CG1 3.39Å; I485-I489 PolarHBondContact O-N 2.76Å; P486-I489 PolarHBondContact O-N 2.93Å; E487-I489 VanDerWaalsContact C-N 3.34Å; E487-I489 PolarHBondContact O-N 2.73Å; I489-K493 HydrophobicContact CG2-CD 4.17Å; I489-K493 WeakPolarHBondContact O-CB 3.43Å; I489-K493 VanDerWaalsContact O-CG 3.32Å; I489-K493 WeakPolarHBondContact O-CG 3.49Å; I489-K493 PolarHBondContact O-N 2.82Å; I489-L509 HydrophobicContact CB-CD1 4.26Å; I489-L509 HydrophobicContact CG1-CD1 4.22Å; I489-L509 HydrophobicContact CG2-CD1 3.9Å; I489-C512 HydrophobicContact CD1-CB 4.21Å; I489-C512 HydrophobicContact CG1-CB 3.63Å; I489-L513 HydrophobicContact CD1-CD2 4.13Å; I489-L513 HydrophobicContact CG2-CD2 4.37Å; I489-I516 HydrophobicContact CD1-CD1 3.57Å; I489-I516 HydrophobicContact CD1-CG1 4.23Å
490	Q	97.9	Very high	95.8	Very high	130 Å²	130	59.7 Å²	59.7	61%	0.607	32%	0.32	S	S	*	.	H	α-helix	trans	-62.9	-46.3	178.6	-69.9	177.7	26.7	0	0	111.7	P486 E487 A488 K493 T494	P486-Q490 WeakPolarHBondContact O-CG 3.39Å; P486-Q490 PolarHBondContact O-N 2.8Å; E487-Q490 PolarHBondContact O-N 2.98Å; A488-Q490 PolarHBondContact O-N 2.89Å; Q490-K493 PolarHBondContact O-N 3.27Å; Q490-T494 PolarHBondContact O-N 3Å; Q490-T494 PolarHBondContact O-OG1 3.04Å; Q490-T494 VanDerWaalsContact O-OG1 3.13Å
491	S	98	Very high	95.9	Very high	19 Å²	19	64.6 Å²	64.6	13%	0.133	35%	0.347	C	S	.	.	H	α-helix	trans	-64.4	-42.1	178.9	-66	0	0	0	0	112.4	E487 A488 K493 T494 A495	E487-S491 PolarHBondContact O-N 3.39Å; E487-S491 PolarHBondContact O-OG 3.48Å; A488-S491 PolarHBondContact O-N 2.9Å; S491-K493 PolarHBondContact O-N 3.06Å; S491-T494 PolarHBondContact O-N 3.25Å; S491-A495 PolarHBondContact O-N 2.92Å
492	Y	98.5	Very high	96.3	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-64.7	-38.4	174.2	-75.6	-54.3	0	0	0	112.9	A476 S477 A488 T494 A495 L496 A505 N508 L509	A476-Y492 HydrophobicContact CB-CD1 3.63Å; A476-Y492 HydrophobicContact CB-CD2 3.65Å; A476-Y492 HydrophobicContact CB-CE1 3.54Å; A476-Y492 HydrophobicContact CB-CE2 3.56Å; A476-Y492 HydrophobicContact CB-CG 3.66Å; A476-Y492 VanDerWaalsContact CB-CZ 3.49Å; S477-Y492 WeakPolarHBondContact CA-OH 3.29Å; S477-Y492 PolarHBondContact N-OH 3.39Å; A488-Y492 HydrophobicContact CB-CE2 4.41Å; A488-Y492 WeakPolarHBondContact O-CD2 3.27Å; A488-Y492 PolarHBondContact O-N 3.28Å; Y492-T494 VanDerWaalsContact C-N 3.32Å; Y492-T494 PolarHBondContact O-N 3.46Å; Y492-A495 PolarHBondContact O-N 3.23Å; Y492-L496 WeakPolarHBondContact O-CG 3.48Å; Y492-L496 PolarHBondContact O-N 3.27Å; Y492-A505 HydrophobicContact CD1-CB 4.04Å; Y492-N508 HydrophobicContact CD1-CB 4.44Å; Y492-N508 HydrophobicContact CD2-CB 4.45Å; Y492-N508 HydrophobicContact CE1-CB 3.74Å; Y492-N508 HydrophobicContact CE2-CB 3.75Å; Y492-N508 WeakPolarHBondContact OH-CB 3.34Å; Y492-L509 HydrophobicContact CD2-CB 4.49Å; Y492-L509 HydrophobicContact CG-CB 4.3Å
493	K	98.3	Very high	96.6	Very high	117 Å²	117	59.2 Å²	59.2	51%	0.509	32%	0.315	S	S	.	.	H	α-helix	trans	-61.7	-40.9	174.1	-78.2	179.5	177.3	-178.1	0	111.4	I489 Q490 S491 L496 K497 L509	I489-K493 HydrophobicContact CG2-CD 4.17Å; I489-K493 WeakPolarHBondContact O-CB 3.43Å; I489-K493 VanDerWaalsContact O-CG 3.32Å; I489-K493 WeakPolarHBondContact O-CG 3.49Å; I489-K493 PolarHBondContact O-N 2.82Å; Q490-K493 PolarHBondContact O-N 3.27Å; S491-K493 PolarHBondContact O-N 3.06Å; K493-L496 PolarHBondContact O-N 3.46Å; K493-K497 WeakPolarHBondContact O-CB 3.24Å; K493-K497 PolarHBondContact O-N 3.32Å; K493-L509 HydrophobicContact CG-CD1 4.33Å; K493-L509 HydrophobicContact CG-CD2 4.05Å
494	T	98.4	Very high	97	Very high	60 Å²	60	60.3 Å²	60.3	37%	0.368	31%	0.309	S	S	.	.	H	α-helix	trans	-63.1	-46.1	174.5	-59.9	0	0	0	0	111.3	Q490 S491 Y492 L496 K497 L498	Q490-T494 PolarHBondContact O-N 3Å; Q490-T494 PolarHBondContact O-OG1 3.04Å; Q490-T494 VanDerWaalsContact O-OG1 3.13Å; S491-T494 PolarHBondContact O-N 3.25Å; Y492-T494 VanDerWaalsContact C-N 3.32Å; Y492-T494 PolarHBondContact O-N 3.46Å; T494-L496 VanDerWaalsContact C-N 3.34Å; T494-L496 PolarHBondContact O-N 3.2Å; T494-K497 WeakPolarHBondContact O-CB 3.41Å; T494-K497 PolarHBondContact O-N 3.36Å; T494-L498 HydrophobicContact CG2-CD1 4.1Å; T494-L498 WeakPolarHBondContact O-CG 3.41Å; T494-L498 PolarHBondContact O-N 2.84Å
495	A	98.5	Very high	97.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-57.1	-45.7	176.3	0	0	0	0	0	112.1	H472 S491 Y492 L498 K499 F502 A505	H472-A495 HydrophobicContact CB-CB 3.97Å; S491-A495 PolarHBondContact O-N 2.92Å; Y492-A495 PolarHBondContact O-N 3.23Å; A495-L498 PolarHBondContact O-N 3.11Å; A495-K499 PolarHBondContact O-N 3.45Å; A495-F502 HydrophobicContact CB-CD1 4.37Å; A495-F502 HydrophobicContact CB-CE1 4.38Å; A495-A505 HydrophobicContact CB-CB 4.38Å
496	L	98.2	Very high	97.4	Very high	28 Å²	28	57 Å²	57	15%	0.147	29%	0.29	C	S	.	.	H	α-helix	trans	-70.5	-28.7	178.2	-72.6	163.9	0	0	0	113.5	Y492 K493 T494 K499 P500 F502 A505 F506 L509	Y492-L496 WeakPolarHBondContact O-CG 3.48Å; Y492-L496 PolarHBondContact O-N 3.27Å; K493-L496 PolarHBondContact O-N 3.46Å; T494-L496 VanDerWaalsContact C-N 3.34Å; T494-L496 PolarHBondContact O-N 3.2Å; L496-K499 WeakPolarHBondContact CA-O 3.35Å; L496-K499 CarbonylContact O-C 3.57Å; L496-K499 VanDerWaalsContact O-C 3.25Å; L496-P500 VanDerWaalsContact O-CA 3.26Å; L496-P500 WeakPolarHBondContact O-CA 3.15Å; L496-F502 HydrophobicContact CD2-CB 4.03Å; L496-A505 HydrophobicContact CD2-CB 4.13Å; L496-A505 HydrophobicContact CG-CB 4.05Å; L496-F506 HydrophobicContact CD1-CD2 4.41Å; L496-F506 HydrophobicContact CD2-CB 4.09Å; L496-L509 HydrophobicContact CD1-CB 4.4Å; L496-L509 HydrophobicContact CD1-CD2 3.55Å
497	K	98.3	Very high	97.5	Very high	184 Å²	184	55.7 Å²	55.7	80%	0.8	28%	0.282	S	S	*	.	H	α-helix	trans	-67	-39.4	172.3	-176.2	-179.4	178.1	-177	0	111.3	K493 T494	K493-K497 WeakPolarHBondContact O-CB 3.24Å; K493-K497 PolarHBondContact O-N 3.32Å; T494-K497 WeakPolarHBondContact O-CB 3.41Å; T494-K497 PolarHBondContact O-N 3.36Å
498	L	97.5	Very high	97.6	Very high	74 Å²	74	53.3 Å²	53.3	39%	0.387	27%	0.271	S	S	.	.	H	α-helix	trans	-74.9	-38.8	178	-66.8	169.4	0	0	0	111.8	A467 A469 T494 A495	A467-L498 HydrophobicContact CB-CD2 4.21Å; A469-L498 HydrophobicContact CB-CB 3.96Å; T494-L498 HydrophobicContact CG2-CD1 4.1Å; T494-L498 WeakPolarHBondContact O-CG 3.41Å; T494-L498 PolarHBondContact O-N 2.84Å; A495-L498 PolarHBondContact O-N 3.11Å
499	K	97.5	Very high	97.6	Very high	81 Å²	81	54 Å²	54	35%	0.352	28%	0.275	S	S	.	.			trans	-133.5	91.7	-179.5	-172.8	179.8	177.1	175.5	0	110	A469 D470 A495 L496 D501 F502	A469-K499 HydrophobicContact CB-CB 3.67Å; A469-K499 HydrophobicContact CB-CD 4.3Å; D470-K499 IonicContact OD1-NZ 3.73Å; D470-K499 IonicContact OD2-NZ 2.67Å; A495-K499 PolarHBondContact O-N 3.45Å; L496-K499 WeakPolarHBondContact CA-O 3.35Å; L496-K499 CarbonylContact O-C 3.57Å; L496-K499 VanDerWaalsContact O-C 3.25Å; K499-D501 VanDerWaalsContact C-N 3.33Å; K499-D501 PolarHBondContact O-N 3.36Å; K499-F502 HydrophobicContact CB-CB 4.35Å; K499-F502 HydrophobicContact CB-CD1 4.29Å; K499-F502 HydrophobicContact CD-CB 4.13Å; K499-F502 HydrophobicContact CD-CD1 3.95Å; K499-F502 HydrophobicContact CD-CE1 4.46Å; K499-F502 HydrophobicContact CD-CG 4Å; K499-F502 HydrophobicContact CG-CB 4.05Å; K499-F502 HydrophobicContact CG-CD1 4.45Å; K499-F502 HydrophobicContact CG-CG 4.44Å; K499-F502 VanDerWaalsContact O-CB 3.3Å; K499-F502 WeakPolarHBondContact O-CB 3.35Å
500	P	96.5	Very high	97.5	Very high	96 Å²	96	53.6 Å²	53.6	62%	0.623	27%	0.273	S	S	*	.	S	Bend	trans	-63.7	-33	-177.7	-27.1	36.4	0	0	0	114.6	L496 F502	L496-P500 VanDerWaalsContact O-CA 3.26Å; L496-P500 WeakPolarHBondContact O-CA 3.15Å; P500-F502 PolarHBondContact O-N 3.15Å
501	D	95	Very high	97.4	Very high	134 Å²	134	48.1 Å²	48.1	72%	0.717	25%	0.247	S	C	*	.	S	Bend	trans	-90.4	76.5	172.1	-171.8	22.6	0	0	0	110.3	K499	K499-D501 VanDerWaalsContact C-N 3.33Å; K499-D501 PolarHBondContact O-N 3.36Å
502	F	97.3	Very high	97.3	Very high	13 Å²	13	47.2 Å²	47.2	6%	0.057	24%	0.241	C	C	.	.			trans	-136.7	83.8	179.7	-161.9	176.1	0	0	0	111.4	A469 D470 A495 L496 K499 P500 D504 A505 F506	A469-F502 HydrophobicContact CB-CD1 4.45Å; A469-F502 HydrophobicContact CB-CE1 4.31Å; D470-F502 VanDerWaalsContact OD1-CZ 3.25Å; D470-F502 WeakPolarHBondContact OD1-CZ 3.45Å; A495-F502 HydrophobicContact CB-CD1 4.37Å; A495-F502 HydrophobicContact CB-CE1 4.38Å; L496-F502 HydrophobicContact CD2-CB 4.03Å; K499-F502 HydrophobicContact CB-CB 4.35Å; K499-F502 HydrophobicContact CB-CD1 4.29Å; K499-F502 HydrophobicContact CD-CB 4.13Å; K499-F502 HydrophobicContact CD-CD1 3.95Å; K499-F502 HydrophobicContact CD-CE1 4.46Å; K499-F502 HydrophobicContact CD-CG 4Å; K499-F502 HydrophobicContact CG-CB 4.05Å; K499-F502 HydrophobicContact CG-CD1 4.45Å; K499-F502 HydrophobicContact CG-CG 4.44Å; K499-F502 VanDerWaalsContact O-CB 3.3Å; K499-F502 WeakPolarHBondContact O-CB 3.35Å; P500-F502 PolarHBondContact O-N 3.15Å; F502-D504 HydrophobicContact CD2-CB 4.36Å; F502-D504 HydrophobicContact CE2-CB 4.06Å; F502-D504 PolarHBondContact O-N 3.49Å; F502-A505 HydrophobicContact CB-CB 4.19Å; F502-A505 HydrophobicContact CD1-CB 3.61Å; F502-A505 HydrophobicContact CD2-CB 4.22Å; F502-A505 HydrophobicContact CE1-CB 4.04Å; F502-A505 HydrophobicContact CG-CB 3.72Å; F502-A505 PolarHBondContact O-N 2.99Å; F502-F506 PolarHBondContact O-N 2.98Å
503	P	97.4	Very high	97.2	Very high	34 Å²	34	47.8 Å²	47.8	22%	0.221	24%	0.244	C	C	.	.	H	α-helix	trans	-55.5	-43.6	-174.5	-29.5	37	0	0	0	114.7	A505 F506 C507 I532	P503-A505 PolarHBondContact O-N 3.34Å; P503-F506 PolarHBondContact O-N 3.07Å; P503-C507 PolarHBondContact O-N 3.05Å; P503-C507 PolarHBondContact O-SG 3.42Å; P503-I532 HydrophobicContact CB-CD1 4.27Å; P503-I532 HydrophobicContact CB-CG1 4.41Å; P503-I532 HydrophobicContact CB-CG2 3.8Å
504	D	95.4	Very high	97.1	Very high	73 Å²	73	42.7 Å²	42.7	39%	0.39	22%	0.222	S	C	.	.	H	α-helix	trans	-62.7	-45.4	-178.9	-59.1	-56.8	0	0	0	112.3	F502 F506 N508 S544	F502-D504 HydrophobicContact CD2-CB 4.36Å; F502-D504 HydrophobicContact CE2-CB 4.06Å; F502-D504 PolarHBondContact O-N 3.49Å; D504-F506 VanDerWaalsContact C-N 3.33Å; D504-N508 WeakPolarHBondContact O-CB 3.47Å; D504-N508 PolarHBondContact O-N 3.31Å; D504-N508 VanDerWaalsContact O-N 3.08Å; D504-N508 PolarHBondContact O-ND2 3.01Å; D504-S544 PolarHBondContact N-OG 3.47Å; D504-S544 VanDerWaalsContact OD1-CB 3.24Å; D504-S544 WeakPolarHBondContact OD1-CB 3.37Å; D504-S544 PolarHBondContact OD1-OG 3.25Å
505	A	97.7	Very high	96.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.2	-38.3	176	0	0	0	0	0	111.4	Y492 A495 L496 F502 P503 L509	Y492-A505 HydrophobicContact CD1-CB 4.04Å; A495-A505 HydrophobicContact CB-CB 4.38Å; L496-A505 HydrophobicContact CD2-CB 4.13Å; L496-A505 HydrophobicContact CG-CB 4.05Å; F502-A505 HydrophobicContact CB-CB 4.19Å; F502-A505 HydrophobicContact CD1-CB 3.61Å; F502-A505 HydrophobicContact CD2-CB 4.22Å; F502-A505 HydrophobicContact CE1-CB 4.04Å; F502-A505 HydrophobicContact CG-CB 3.72Å; F502-A505 PolarHBondContact O-N 2.99Å; P503-A505 PolarHBondContact O-N 3.34Å; A505-L509 WeakPolarHBondContact O-CB 3.34Å; A505-L509 PolarHBondContact O-N 2.91Å
506	F	98.3	Very high	96.8	Very high	26 Å²	26	41.7 Å²	41.7	11%	0.114	22%	0.215	C	C	.	.	H	α-helix	trans	-65.8	-47.3	178.8	-174.2	-92.3	0	0	0	112.9	L496 F502 P503 D504 S510 R525 K528 I529 I532	L496-F506 HydrophobicContact CD1-CD2 4.41Å; L496-F506 HydrophobicContact CD2-CB 4.09Å; F502-F506 PolarHBondContact O-N 2.98Å; P503-F506 PolarHBondContact O-N 3.07Å; D504-F506 VanDerWaalsContact C-N 3.33Å; F506-S510 WeakPolarHBondContact O-CB 3.37Å; F506-S510 PolarHBondContact O-N 2.82Å; F506-S510 PolarHBondContact O-OG 3.36Å; F506-R525 HydrophobicContact CZ-CB 4.27Å; F506-R525 HydrophobicContact CZ-CG 4.06Å; F506-K528 HydrophobicContact CD1-CD 4.23Å; F506-K528 HydrophobicContact CD1-CG 4.11Å; F506-K528 HydrophobicContact CD2-CD 4.24Å; F506-K528 HydrophobicContact CE1-CB 3.76Å; F506-K528 HydrophobicContact CE1-CD 3.73Å; F506-K528 HydrophobicContact CE1-CG 3.55Å; F506-K528 HydrophobicContact CE2-CD 3.74Å; F506-K528 HydrophobicContact CE2-CG 4.49Å; F506-K528 HydrophobicContact CG-CD 4.47Å; F506-K528 HydrophobicContact CZ-CB 3.89Å; F506-K528 HydrophobicContact CZ-CD 3.47Å; F506-K528 VanDerWaalsContact CZ-CD 3.47Å; F506-K528 HydrophobicContact CZ-CG 3.79Å; F506-I529 HydrophobicContact CD1-CG1 4.4Å; F506-I529 HydrophobicContact CE1-CG1 4.06Å; F506-I532 HydrophobicContact CB-CD1 4.48Å; F506-I532 HydrophobicContact CD1-CD1 3.73Å; F506-I532 HydrophobicContact CE1-CD1 4.42Å; F506-I532 HydrophobicContact CG-CD1 4.37Å
507	C	97.6	Very high	96.8	Very high	4 Å²	4	40.4 Å²	40.4	3%	0.027	21%	0.209	C	C	.	.	H	α-helix	trans	-64.9	-42.8	178.5	-71.8	0	0	0	0	111.4	P503 S510 H511 V545	P503-C507 PolarHBondContact O-N 3.05Å; P503-C507 PolarHBondContact O-SG 3.42Å; C507-S510 PolarHBondContact O-N 3.48Å; C507-H511 PolarHBondContact O-N 2.83Å; C507-V545 HydrophobicContact CB-CG2 4.33Å
508	N	96.9	Very high	96.7	Very high	33 Å²	33	33.3 Å²	33.3	18%	0.176	18%	0.18	C	C	.	.	H	α-helix	trans	-69.3	-39.5	178.2	-75.4	-51.7	0	0	0	113	Y492 D504 S510 H511 C512	Y492-N508 HydrophobicContact CD1-CB 4.44Å; Y492-N508 HydrophobicContact CD2-CB 4.45Å; Y492-N508 HydrophobicContact CE1-CB 3.74Å; Y492-N508 HydrophobicContact CE2-CB 3.75Å; Y492-N508 WeakPolarHBondContact OH-CB 3.34Å; D504-N508 WeakPolarHBondContact O-CB 3.47Å; D504-N508 PolarHBondContact O-N 3.31Å; D504-N508 VanDerWaalsContact O-N 3.08Å; D504-N508 PolarHBondContact O-ND2 3.01Å; N508-S510 VanDerWaalsContact C-N 3.34Å; N508-H511 PolarHBondContact O-N 3.09Å; N508-C512 PolarHBondContact O-N 2.71Å; N508-C512 PolarHBondContact O-SG 3.33Å
509	L	97.5	Very high	96.6	Very high	15 Å²	15	31.4 Å²	31.4	8%	0.079	17%	0.167	C	C	.	.	H	α-helix	trans	-59	-47.3	171.2	175.1	58.2	0	0	0	111	I489 Y492 K493 L496 A505 H511 C512 L513	I489-L509 HydrophobicContact CB-CD1 4.26Å; I489-L509 HydrophobicContact CG1-CD1 4.22Å; I489-L509 HydrophobicContact CG2-CD1 3.9Å; Y492-L509 HydrophobicContact CD2-CB 4.49Å; Y492-L509 HydrophobicContact CG-CB 4.3Å; K493-L509 HydrophobicContact CG-CD1 4.33Å; K493-L509 HydrophobicContact CG-CD2 4.05Å; L496-L509 HydrophobicContact CD1-CB 4.4Å; L496-L509 HydrophobicContact CD1-CD2 3.55Å; A505-L509 WeakPolarHBondContact O-CB 3.34Å; A505-L509 PolarHBondContact O-N 2.91Å; L509-H511 VanDerWaalsContact C-N 3.27Å; L509-H511 PolarHBondContact O-N 3.42Å; L509-C512 WeakPolarHBondContact O-CB 3.38Å; L509-C512 PolarHBondContact O-N 3Å; L509-C512 VanDerWaalsContact O-N 3.08Å; L509-L513 HydrophobicContact CD1-CD1 4.15Å; L509-L513 HydrophobicContact CD1-CG 4.1Å; L509-L513 HydrophobicContact CG-CD1 4.04Å; L509-L513 HydrophobicContact CG-CG 4.41Å; L509-L513 WeakPolarHBondContact O-CG 3.43Å; L509-L513 PolarHBondContact O-N 3.27Å
510	S	96.6	Very high	96.5	Very high	4 Å²	4	31.8 Å²	31.8	3%	0.028	18%	0.176	C	C	.	.	H	α-helix	trans	-61.1	-39.1	-178.5	-63.4	0	0	0	0	111.9	F506 C507 N508 L513 L514 R525	F506-S510 WeakPolarHBondContact O-CB 3.37Å; F506-S510 PolarHBondContact O-N 2.82Å; F506-S510 PolarHBondContact O-OG 3.36Å; C507-S510 PolarHBondContact O-N 3.48Å; N508-S510 VanDerWaalsContact C-N 3.34Å; S510-L513 PolarHBondContact O-N 2.88Å; S510-L514 PolarHBondContact O-N 3.15Å; S510-R525 PolarHBondContact O-NH1 3.41Å
511	H	95.1	Very high	96.4	Very high	15 Å²	15	32.7 Å²	32.7	7%	0.069	18%	0.176	C	C	.	.	H	α-helix	trans	-65.6	-42.4	172.4	-178.9	71.5	0	0	0	112.4	C507 N508 L509 L513 L514 V515 H549	C507-H511 PolarHBondContact O-N 2.83Å; N508-H511 PolarHBondContact O-N 3.09Å; L509-H511 VanDerWaalsContact C-N 3.27Å; L509-H511 PolarHBondContact O-N 3.42Å; H511-L513 VanDerWaalsContact C-N 3.3Å; H511-L513 PolarHBondContact O-N 2.76Å; H511-L514 WeakPolarHBondContact O-CB 3.44Å; H511-L514 PolarHBondContact O-N 2.94Å; H511-V515 WeakPolarHBondContact O-CG2 3.36Å; H511-V515 PolarHBondContact O-N 3.46Å; H511-H549 AromaticContact CE1-CD2 3.56Å; H511-H549 AromaticContact CE1-NE2 3.84Å; H511-H549 AromaticContact ND1-CD2 3.94Å; H511-H549 AromaticContact NE2-CD2 3.89Å; H511-H549 AromaticContact NE2-NE2 3.67Å
512	C	96.5	Very high	96.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.4	-38.7	175.8	-65.1	0	0	0	0	112.3	I485 I489 N508 L509 V515 I516	I485-C512 HydrophobicContact CG2-CB 4.12Å; I489-C512 HydrophobicContact CD1-CB 4.21Å; I489-C512 HydrophobicContact CG1-CB 3.63Å; N508-C512 PolarHBondContact O-N 2.71Å; N508-C512 PolarHBondContact O-SG 3.33Å; L509-C512 WeakPolarHBondContact O-CB 3.38Å; L509-C512 PolarHBondContact O-N 3Å; L509-C512 VanDerWaalsContact O-N 3.08Å; C512-V515 WeakPolarHBondContact O-CB 3.25Å; C512-V515 PolarHBondContact O-N 3.31Å; C512-I516 PolarHBondContact O-N 3.22Å
513	L	97.3	Very high	96.4	Very high	13 Å²	13	33.5 Å²	33.5	7%	0.068	18%	0.178	C	C	.	.	H	α-helix	trans	-66.4	-39.8	174.8	-68.3	172.6	0	0	0	111.7	I489 L509 S510 H511 V515 I516 C517 D518 R525	I489-L513 HydrophobicContact CD1-CD2 4.13Å; I489-L513 HydrophobicContact CG2-CD2 4.37Å; L509-L513 HydrophobicContact CD1-CD1 4.15Å; L509-L513 HydrophobicContact CD1-CG 4.1Å; L509-L513 HydrophobicContact CG-CD1 4.04Å; L509-L513 HydrophobicContact CG-CG 4.41Å; L509-L513 WeakPolarHBondContact O-CG 3.43Å; L509-L513 PolarHBondContact O-N 3.27Å; S510-L513 PolarHBondContact O-N 2.88Å; H511-L513 VanDerWaalsContact C-N 3.3Å; H511-L513 PolarHBondContact O-N 2.76Å; L513-V515 VanDerWaalsContact C-N 3.31Å; L513-V515 PolarHBondContact O-N 2.92Å; L513-I516 HydrophobicContact CD2-CD1 4.45Å; L513-I516 CarbonylContact O-C 3.09Å; L513-I516 WeakPolarHBondContact O-CG1 3.48Å; L513-I516 PolarHBondContact O-N 3.43Å; L513-C517 PolarHBondContact O-N 3.07Å; L513-D518 HydrophobicContact CB-CB 4.3Å; L513-D518 HydrophobicContact CD2-CB 3.96Å; L513-D518 PolarHBondContact O-N 3.2Å; L513-R525 VanDerWaalsContact CD1-NH1 3.34Å
514	L	95.3	Very high	96.4	Very high	9 Å²	9	35.9 Å²	35.9	5%	0.047	20%	0.196	C	C	.	.	H	α-helix	trans	-60.8	-40.8	172.8	-179.8	62.7	0	0	0	111.5	S510 H511 I516 C517 Y522 L552	S510-L514 PolarHBondContact O-N 3.15Å; H511-L514 WeakPolarHBondContact O-CB 3.44Å; H511-L514 PolarHBondContact O-N 2.94Å; L514-I516 VanDerWaalsContact C-N 3.25Å; L514-I516 PolarHBondContact O-N 3.34Å; L514-C517 PolarHBondContact O-N 3.4Å; L514-Y522 HydrophobicContact CD1-CE2 4.33Å; L514-L552 HydrophobicContact CD2-CB 4.1Å; L514-L552 HydrophobicContact CD2-CD1 3.97Å
515	V	94.8	Very high	96.4	Very high	18 Å²	18	33.7 Å²	33.7	11%	0.109	18%	0.182	C	C	.	.	H	α-helix	trans	-59.5	-34.4	177.9	166	0	0	0	0	112.7	I485 H511 C512 L513 Y892 P920	I485-V515 HydrophobicContact CD1-CG1 4.49Å; I485-V515 HydrophobicContact CG1-CG1 4.25Å; I485-V515 HydrophobicContact CG2-CG1 4.5Å; H511-V515 WeakPolarHBondContact O-CG2 3.36Å; H511-V515 PolarHBondContact O-N 3.46Å; C512-V515 WeakPolarHBondContact O-CB 3.25Å; C512-V515 PolarHBondContact O-N 3.31Å; L513-V515 VanDerWaalsContact C-N 3.31Å; L513-V515 PolarHBondContact O-N 2.92Å; V515-Y892 HydrophobicContact CG2-CG 4.49Å; V515-P920 HydrophobicContact CG1-CG 3.83Å; V515-P920 WeakPolarHBondContact O-CD 3.44Å; V515-P920 WeakPolarHBondContact O-CG 3.42Å
516	I	96.2	Very high	96.4	Very high	21 Å²	21	34.3 Å²	34.3	11%	0.108	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	13.5	176.5	66.3	164.8	0	0	0	113.3	I485 I489 C512 L513 L514 D518 P920 H922 A923 N926	I485-I516 HydrophobicContact CB-CG2 4.44Å; I485-I516 HydrophobicContact CG2-CG2 3.75Å; I489-I516 HydrophobicContact CD1-CD1 3.57Å; I489-I516 HydrophobicContact CD1-CG1 4.23Å; C512-I516 PolarHBondContact O-N 3.22Å; L513-I516 HydrophobicContact CD2-CD1 4.45Å; L513-I516 CarbonylContact O-C 3.09Å; L513-I516 WeakPolarHBondContact O-CG1 3.48Å; L513-I516 PolarHBondContact O-N 3.43Å; L514-I516 VanDerWaalsContact C-N 3.25Å; L514-I516 PolarHBondContact O-N 3.34Å; I516-D518 HydrophobicContact CD1-CB 3.99Å; I516-D518 HydrophobicContact CG1-CB 3.93Å; I516-D518 PolarHBondContact O-N 3.11Å; I516-P920 HydrophobicContact CG2-CG 4.03Å; I516-H922 HydrophobicContact CB-CB 4.24Å; I516-H922 HydrophobicContact CG2-CB 3.81Å; I516-A923 WeakPolarHBondContact O-CA 3.44Å; I516-N926 PolarHBondContact O-ND2 3.45Å
517	C	97.1	Very high	96.4	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.014	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	28.7	-175.6	-57.3	0	0	0	0	114.2	L513 L514 W519 A923 N926 V927	L513-C517 PolarHBondContact O-N 3.07Å; L514-C517 PolarHBondContact O-N 3.4Å; C517-W519 HydrophobicContact CB-CH2 4.38Å; C517-W519 HydrophobicContact CB-CZ2 3.87Å; C517-W519 PolarHBondContact O-N 3.31Å; C517-A923 HydrophobicContact CB-CB 4.35Å; C517-N926 HydrophobicContact CB-CB 4.27Å; C517-N926 WeakPolarHBondContact O-CB 3.32Å; C517-V927 HydrophobicContact CB-CG2 3.87Å
518	D	97	Very high	96.4	Very high	35 Å²	35	43.3 Å²	43.3	19%	0.187	23%	0.227	C	C	.	.			trans	-79.6	102	168.9	-176	-9.4	0	0	0	108	L513 I516 T520 R525	L513-D518 HydrophobicContact CB-CB 4.3Å; L513-D518 HydrophobicContact CD2-CB 3.96Å; L513-D518 PolarHBondContact O-N 3.2Å; I516-D518 HydrophobicContact CD1-CB 3.99Å; I516-D518 HydrophobicContact CG1-CB 3.93Å; I516-D518 PolarHBondContact O-N 3.11Å; D518-T520 WeakPolarHBondContact OD1-CB 3.4Å; D518-T520 PolarHBondContact OD1-N 2.92Å; D518-T520 PolarHBondContact OD1-OG1 2.87Å; D518-R525 PolarHBondContact O-NH2 3.39Å
519	W	95.6	Very high	96.4	Very high	34 Å²	34	41.9 Å²	41.9	13%	0.129	22%	0.219	C	C	.	.			trans	-99	18.9	179.7	-55.5	-44.3	0	0	0	113.1	C517 D521 Y522 V894 P896 L899 F930	C517-W519 HydrophobicContact CB-CH2 4.38Å; C517-W519 HydrophobicContact CB-CZ2 3.87Å; C517-W519 PolarHBondContact O-N 3.31Å; W519-D521 PolarHBondContact O-N 3.49Å; W519-Y522 HydrophobicContact CB-CD2 4.47Å; W519-Y522 AromaticContact CD1-CD2 3.79Å; W519-Y522 HydrophobicContact CG-CD2 4.41Å; W519-Y522 VanDerWaalsContact O-CB 3.3Å; W519-Y522 WeakPolarHBondContact O-CB 3.23Å; W519-Y522 PolarHBondContact O-N 3.28Å; W519-Y522 VanDerWaalsContact O-N 3.13Å; W519-V894 HydrophobicContact CH2-CG1 4.44Å; W519-V894 HydrophobicContact CZ2-CG1 4.37Å; W519-V894 WeakPolarHBondContact CZ2-O 3.44Å; W519-P896 HydrophobicContact CB-CG 4.09Å; W519-P896 HydrophobicContact CD2-CB 4.35Å; W519-P896 HydrophobicContact CD2-CG 3.7Å; W519-P896 HydrophobicContact CE3-CB 4.26Å; W519-P896 HydrophobicContact CE3-CG 4.1Å; W519-P896 HydrophobicContact CG-CG 3.7Å; W519-L899 HydrophobicContact CH2-CB 3.86Å; W519-L899 HydrophobicContact CH2-CD2 3.52Å; W519-L899 HydrophobicContact CH2-CG 4.33Å; W519-L899 HydrophobicContact CZ3-CB 4.36Å; W519-L899 HydrophobicContact CZ3-CD2 3.74Å; W519-F930 HydrophobicContact CE3-CB 4.46Å; W519-F930 AromaticContact CE3-CD2 3.48Å; W519-F930 HydrophobicContact CE3-CD2 3.48Å; W519-F930 VanDerWaalsContact CE3-CD2 3.48Å; W519-F930 AromaticContact CE3-CE2 3.83Å; W519-F930 HydrophobicContact CE3-CE2 3.83Å; W519-F930 HydrophobicContact CE3-CG 4.09Å; W519-F930 HydrophobicContact CZ3-CB 3.89Å; W519-F930 HydrophobicContact CZ3-CD1 4.07Å; W519-F930 AromaticContact CZ3-CD2 3.36Å; W519-F930 HydrophobicContact CZ3-CD2 3.36Å; W519-F930 HydrophobicContact CZ3-CE1 4.42Å; W519-F930 AromaticContact CZ3-CE2 3.77Å; W519-F930 HydrophobicContact CZ3-CE2 3.77Å; W519-F930 AromaticContact CZ3-CG 3.51Å; W519-F930 HydrophobicContact CZ3-CG 3.51Å; W519-F930 HydrophobicContact CZ3-CZ 4.28Å
520	T	94.4	Very high	96.5	Very high	88 Å²	88	42.6 Å²	42.6	54%	0.54	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	128.5	168.9	-50.7	0	0	0	0	108.9	D518 Y522 R525	D518-T520 WeakPolarHBondContact OD1-CB 3.4Å; D518-T520 PolarHBondContact OD1-N 2.92Å; D518-T520 PolarHBondContact OD1-OG1 2.87Å; T520-Y522 PolarHBondContact O-N 3Å; T520-Y522 VanDerWaalsContact O-N 3.09Å; T520-R525 VanDerWaalsContact O-CZ 3.31Å; T520-R525 PolarHBondContact O-NE 3.46Å; T520-R525 PolarHBondContact O-NH2 3.44Å
521	D	94.9	Very high	96.6	Very high	115 Å²	115	46.2 Å²	46.2	62%	0.615	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	29.7	-177.9	-48.4	-32.2	0	0	0	114.6	W519 D523 S524 R525	W519-D521 PolarHBondContact O-N 3.49Å; D521-D523 PolarHBondContact O-N 3.28Å; D521-S524 PolarHBondContact O-N 3.22Å; D521-R525 WeakPolarHBondContact O-CG 3.2Å; D521-R525 PolarHBondContact O-N 3.19Å
522	Y	95.7	Very high	96.7	Very high	39 Å²	39	46.4 Å²	46.4	15%	0.153	25%	0.249	C	C	.	.	H	α-helix	trans	-52.2	-48.4	-173.4	179.4	-95.1	0	0	0	113.3	L514 W519 T520 R525 T526 P896	L514-Y522 HydrophobicContact CD1-CE2 4.33Å; W519-Y522 HydrophobicContact CB-CD2 4.47Å; W519-Y522 AromaticContact CD1-CD2 3.79Å; W519-Y522 HydrophobicContact CG-CD2 4.41Å; W519-Y522 VanDerWaalsContact O-CB 3.3Å; W519-Y522 WeakPolarHBondContact O-CB 3.23Å; W519-Y522 PolarHBondContact O-N 3.28Å; W519-Y522 VanDerWaalsContact O-N 3.13Å; T520-Y522 PolarHBondContact O-N 3Å; T520-Y522 VanDerWaalsContact O-N 3.09Å; Y522-R525 PolarHBondContact O-N 3.29Å; Y522-T526 WeakPolarHBondContact O-CB 3.23Å; Y522-T526 PolarHBondContact O-N 2.78Å; Y522-T526 PolarHBondContact O-OG1 3.39Å; Y522-P896 HydrophobicContact CD1-CG 4.07Å; Y522-P896 HydrophobicContact CD2-CG 4.41Å; Y522-P896 HydrophobicContact CE1-CG 4.25Å; Y522-P896 HydrophobicContact CG-CG 4.15Å
523	D	96	Very high	96.8	Very high	125 Å²	125	46.4 Å²	46.4	67%	0.668	25%	0.249	S	C	*	.	H	α-helix	trans	-65.4	-44.2	-178.9	-62.1	-42.2	0	0	0	111.6	D521 R525 T526 Q527	D521-D523 PolarHBondContact O-N 3.28Å; D523-R525 PolarHBondContact O-N 3.4Å; D523-T526 PolarHBondContact O-N 2.96Å; D523-Q527 WeakPolarHBondContact O-CG 3.38Å; D523-Q527 PolarHBondContact O-N 2.91Å
524	S	97.9	Very high	96.9	Very high	85 Å²	85	50.5 Å²	50.5	59%	0.594	27%	0.268	S	S	*	.	H	α-helix	trans	-62.4	-44.6	177.7	-177.9	0	0	0	0	111.7	D521 T526 Q527 K528	D521-S524 PolarHBondContact O-N 3.22Å; S524-T526 VanDerWaalsContact C-N 3.33Å; S524-T526 PolarHBondContact O-N 3.43Å; S524-Q527 PolarHBondContact O-N 2.93Å; S524-K528 PolarHBondContact O-N 3.39Å
525	R	96.4	Very high	97	Very high	27 Å²	27	52.9 Å²	52.9	10%	0.102	28%	0.281	C	S	.	.	H	α-helix	trans	-62.5	-41.7	175.7	-72.1	-170.3	-71.8	138.9	-9.5	111.7	F506 S510 L513 D518 T520 D521 Y522 D523 K528 I529	F506-R525 HydrophobicContact CZ-CB 4.27Å; F506-R525 HydrophobicContact CZ-CG 4.06Å; S510-R525 PolarHBondContact O-NH1 3.41Å; L513-R525 VanDerWaalsContact CD1-NH1 3.34Å; D518-R525 PolarHBondContact O-NH2 3.39Å; T520-R525 VanDerWaalsContact O-CZ 3.31Å; T520-R525 PolarHBondContact O-NE 3.46Å; T520-R525 PolarHBondContact O-NH2 3.44Å; D521-R525 WeakPolarHBondContact O-CG 3.2Å; D521-R525 PolarHBondContact O-N 3.19Å; Y522-R525 PolarHBondContact O-N 3.29Å; D523-R525 PolarHBondContact O-N 3.4Å; R525-K528 PolarHBondContact O-N 2.83Å; R525-I529 WeakPolarHBondContact O-CG1 3.37Å; R525-I529 PolarHBondContact O-N 3.31Å
526	T	97.1	Very high	97.1	Very high	12 Å²	12	52.8 Å²	52.8	7%	0.074	28%	0.279	C	S	.	.	H	α-helix	trans	-61.4	-50.1	177.6	-60.8	0	0	0	0	110.7	Y522 D523 S524 K528 I529 L530 P554	Y522-T526 WeakPolarHBondContact O-CB 3.23Å; Y522-T526 PolarHBondContact O-N 2.78Å; Y522-T526 PolarHBondContact O-OG1 3.39Å; D523-T526 PolarHBondContact O-N 2.96Å; S524-T526 VanDerWaalsContact C-N 3.33Å; S524-T526 PolarHBondContact O-N 3.43Å; T526-K528 VanDerWaalsContact C-N 3.28Å; T526-K528 PolarHBondContact O-N 3.44Å; T526-I529 WeakPolarHBondContact O-CB 3.44Å; T526-I529 PolarHBondContact O-N 3.06Å; T526-I529 VanDerWaalsContact O-N 3.1Å; T526-L530 WeakPolarHBondContact O-CG 3.24Å; T526-L530 PolarHBondContact O-N 3.47Å; T526-P554 HydrophobicContact CG2-CG 3.59Å
527	Q	98	Very high	97.2	Very high	128 Å²	128	53.2 Å²	53.2	60%	0.598	28%	0.281	S	S	*	.	H	α-helix	trans	-57.9	-40.1	176.5	-69.1	-57.9	-35.1	0	0	112.5	D523 S524 L530 S531	D523-Q527 WeakPolarHBondContact O-CG 3.38Å; D523-Q527 PolarHBondContact O-N 2.91Å; S524-Q527 PolarHBondContact O-N 2.93Å; Q527-L530 PolarHBondContact O-N 3.41Å; Q527-S531 PolarHBondContact O-N 3.12Å
528	K	97.9	Very high	97.2	Very high	92 Å²	92	60.2 Å²	60.2	40%	0.4	31%	0.313	S	S	.	.	H	α-helix	trans	-65.9	-40	175.8	-176.9	163.6	170.3	-177.8	0	112.6	F506 S524 R525 T526 S531 I532	F506-K528 HydrophobicContact CD1-CD 4.23Å; F506-K528 HydrophobicContact CD1-CG 4.11Å; F506-K528 HydrophobicContact CD2-CD 4.24Å; F506-K528 HydrophobicContact CE1-CB 3.76Å; F506-K528 HydrophobicContact CE1-CD 3.73Å; F506-K528 HydrophobicContact CE1-CG 3.55Å; F506-K528 HydrophobicContact CE2-CD 3.74Å; F506-K528 HydrophobicContact CE2-CG 4.49Å; F506-K528 HydrophobicContact CG-CD 4.47Å; F506-K528 HydrophobicContact CZ-CB 3.89Å; F506-K528 HydrophobicContact CZ-CD 3.47Å; F506-K528 VanDerWaalsContact CZ-CD 3.47Å; F506-K528 HydrophobicContact CZ-CG 3.79Å; S524-K528 PolarHBondContact O-N 3.39Å; R525-K528 PolarHBondContact O-N 2.83Å; T526-K528 VanDerWaalsContact C-N 3.28Å; T526-K528 PolarHBondContact O-N 3.44Å; K528-S531 PolarHBondContact O-N 2.97Å; K528-I532 HydrophobicContact CG-CD1 3.99Å; K528-I532 VanDerWaalsContact O-CG1 3.28Å; K528-I532 WeakPolarHBondContact O-CG1 3.34Å; K528-I532 PolarHBondContact O-N 2.58Å
529	I	98	Very high	97	Very high	3 Å²	3	65.2 Å²	65.2	2%	0.015	33%	0.33	C	S	.	.	H	α-helix	trans	-60.4	-46.1	173.7	-70.3	164.2	0	0	0	110.6	F506 R525 T526 S531 I532 V533 V545 Y553	F506-I529 HydrophobicContact CD1-CG1 4.4Å; F506-I529 HydrophobicContact CE1-CG1 4.06Å; R525-I529 WeakPolarHBondContact O-CG1 3.37Å; R525-I529 PolarHBondContact O-N 3.31Å; T526-I529 WeakPolarHBondContact O-CB 3.44Å; T526-I529 PolarHBondContact O-N 3.06Å; T526-I529 VanDerWaalsContact O-N 3.1Å; I529-S531 VanDerWaalsContact C-N 3.33Å; I529-S531 PolarHBondContact O-N 3.3Å; I529-I532 PolarHBondContact O-N 3.19Å; I529-V533 HydrophobicContact CG2-CG2 4.43Å; I529-V533 WeakPolarHBondContact O-CG2 3.39Å; I529-V533 PolarHBondContact O-N 3.03Å; I529-V545 HydrophobicContact CG2-CG2 3.76Å; I529-Y553 HydrophobicContact CD1-CD1 4.23Å; I529-Y553 HydrophobicContact CD1-CE1 3.73Å; I529-Y553 HydrophobicContact CG2-CD2 4.36Å; I529-Y553 HydrophobicContact CG2-CG 4.4Å
530	L	98.2	Very high	96.7	Very high	30 Å²	30	68.4 Å²	68.4	16%	0.157	35%	0.35	C	S	.	.	H	α-helix	trans	-59.4	-45.6	178.3	-62.4	179.1	0	0	0	111.1	T526 Q527 I532 V533 E534 P554 L555	T526-L530 WeakPolarHBondContact O-CG 3.24Å; T526-L530 PolarHBondContact O-N 3.47Å; Q527-L530 PolarHBondContact O-N 3.41Å; L530-I532 PolarHBondContact O-N 3.29Å; L530-V533 PolarHBondContact O-N 3.39Å; L530-E534 WeakPolarHBondContact O-CB 3.47Å; L530-E534 PolarHBondContact O-N 3.12Å; L530-P554 HydrophobicContact CD1-CG 4.36Å; L530-P554 HydrophobicContact CD2-CG 4.45Å; L530-L555 HydrophobicContact CD2-CD2 3.47Å; L530-L555 VanDerWaalsContact CD2-CD2 3.47Å; L530-L555 HydrophobicContact CD2-CG 3.97Å
531	S	98.4	Very high	96.5	Very high	79 Å²	79	71.2 Å²	71.2	55%	0.552	35%	0.35	S	S	*	.	H	α-helix	trans	-62.7	-39	176.6	177	0	0	0	0	113.1	Q527 K528 I529 D535	Q527-S531 PolarHBondContact O-N 3.12Å; K528-S531 PolarHBondContact O-N 2.97Å; I529-S531 VanDerWaalsContact C-N 3.33Å; I529-S531 PolarHBondContact O-N 3.3Å; S531-D535 PolarHBondContact O-N 3.47Å
532	I	98.5	Very high	96.4	Very high	19 Å²	19	69.7 Å²	69.7	10%	0.097	34%	0.341	C	S	.	.	H	α-helix	trans	-63.3	-48.6	176.3	-75.2	165.3	0	0	0	110.4	P503 F506 K528 I529 L530 E534 D535 Q536	P503-I532 HydrophobicContact CB-CD1 4.27Å; P503-I532 HydrophobicContact CB-CG1 4.41Å; P503-I532 HydrophobicContact CB-CG2 3.8Å; F506-I532 HydrophobicContact CB-CD1 4.48Å; F506-I532 HydrophobicContact CD1-CD1 3.73Å; F506-I532 HydrophobicContact CE1-CD1 4.42Å; F506-I532 HydrophobicContact CG-CD1 4.37Å; K528-I532 HydrophobicContact CG-CD1 3.99Å; K528-I532 VanDerWaalsContact O-CG1 3.28Å; K528-I532 WeakPolarHBondContact O-CG1 3.34Å; K528-I532 PolarHBondContact O-N 2.58Å; I529-I532 PolarHBondContact O-N 3.19Å; L530-I532 PolarHBondContact O-N 3.29Å; I532-E534 VanDerWaalsContact C-N 3.33Å; I532-E534 PolarHBondContact O-N 3.3Å; I532-D535 PolarHBondContact O-N 3.42Å; I532-Q536 HydrophobicContact CG2-CG 4.38Å; I532-Q536 WeakPolarHBondContact O-CB 3.12Å; I532-Q536 VanDerWaalsContact O-CG 3.22Å; I532-Q536 WeakPolarHBondContact O-CG 3.33Å; I532-Q536 PolarHBondContact O-N 3.42Å
533	V	98.4	Very high	96.5	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-61.7	-44.4	-179.7	169.3	0	0	0	0	110.6	I529 L530 Q536 L537 V545 L555 Q559 I563	I529-V533 HydrophobicContact CG2-CG2 4.43Å; I529-V533 WeakPolarHBondContact O-CG2 3.39Å; I529-V533 PolarHBondContact O-N 3.03Å; L530-V533 PolarHBondContact O-N 3.39Å; V533-Q536 PolarHBondContact O-N 3.1Å; V533-L537 HydrophobicContact CG1-CD1 3.75Å; V533-L537 HydrophobicContact CG1-CG 4.25Å; V533-L537 WeakPolarHBondContact O-CB 3.32Å; V533-L537 VanDerWaalsContact O-CG 3.31Å; V533-L537 WeakPolarHBondContact O-CG 3.31Å; V533-L537 PolarHBondContact O-N 3Å; V533-V545 HydrophobicContact CG2-CB 4.03Å; V533-V545 HydrophobicContact CG2-CG2 3.65Å; V533-L555 HydrophobicContact CB-CD2 4.14Å; V533-L555 HydrophobicContact CG1-CD2 3.89Å; V533-L555 HydrophobicContact CG2-CD2 4.27Å; V533-Q559 HydrophobicContact CG1-CB 4.46Å; V533-I563 HydrophobicContact CG1-CD1 3.89Å; V533-I563 HydrophobicContact CG1-CG1 4.13Å; V533-I563 HydrophobicContact CG2-CD1 4.43Å
534	E	98.3	Very high	96.5	Very high	99 Å²	99	62.7 Å²	62.7	46%	0.463	31%	0.308	S	S	.	.	H	α-helix	trans	-59.7	-51	178.3	-171	63	-155.7	0	0	111.8	L530 I532 Q536 L537 H538 Q559	L530-E534 WeakPolarHBondContact O-CB 3.47Å; L530-E534 PolarHBondContact O-N 3.12Å; I532-E534 VanDerWaalsContact C-N 3.33Å; I532-E534 PolarHBondContact O-N 3.3Å; E534-Q536 PolarHBondContact O-N 3.46Å; E534-L537 PolarHBondContact O-N 3.47Å; E534-H538 VanDerWaalsContact O-CB 3.31Å; E534-H538 WeakPolarHBondContact O-CB 3.36Å; E534-H538 PolarHBondContact O-N 2.88Å; E534-Q559 PolarHBondContact OE2-NE2 3.48Å
535	D	98.1	Very high	96.5	Very high	60 Å²	60	58.8 Å²	58.8	32%	0.321	28%	0.281	S	S	.	.	H	α-helix	trans	-61.4	-43	178.6	178.4	81.3	0	0	0	111.7	S531 I532 H538 R539	S531-D535 PolarHBondContact O-N 3.47Å; I532-D535 PolarHBondContact O-N 3.42Å; D535-H538 PolarHBondContact O-N 3.36Å; D535-R539 VanDerWaalsContact CG-NE 3.3Å; D535-R539 WeakPolarHBondContact O-CB 3.37Å; D535-R539 VanDerWaalsContact O-CG 3.28Å; D535-R539 WeakPolarHBondContact O-CG 3.29Å; D535-R539 PolarHBondContact O-N 2.99Å; D535-R539 IonicContact OD1-CZ 3.98Å; D535-R539 VanDerWaalsContact OD1-CZ 3.28Å; D535-R539 IonicContact OD1-NE 2.82Å; D535-R539 PolarHBondContact OD1-NE 3.38Å; D535-R539 IonicContact OD1-NH2 2.92Å; D535-R539 PolarHBondContact OD1-NH2 3.39Å; D535-R539 IonicContact OD2-CZ 3.38Å; D535-R539 IonicContact OD2-NE 3.03Å; D535-R539 PolarHBondContact OD2-NE 2.84Å; D535-R539 VanDerWaalsContact OD2-NE 3.13Å; D535-R539 IonicContact OD2-NH2 2.81Å
536	Q	97.9	Very high	96.4	Very high	15 Å²	15	60.7 Å²	60.7	7%	0.07	29%	0.29	C	S	.	.	H	α-helix	trans	-65.6	-44.4	180	-73.7	174.7	-27.3	0	0	112.1	I532 V533 E534 R539 N540 R541 P543 S544	I532-Q536 HydrophobicContact CG2-CG 4.38Å; I532-Q536 WeakPolarHBondContact O-CB 3.12Å; I532-Q536 VanDerWaalsContact O-CG 3.22Å; I532-Q536 WeakPolarHBondContact O-CG 3.33Å; I532-Q536 PolarHBondContact O-N 3.42Å; V533-Q536 PolarHBondContact O-N 3.1Å; E534-Q536 PolarHBondContact O-N 3.46Å; Q536-R539 CarbonylContact O-C 3.59Å; Q536-R539 PolarHBondContact O-N 3.26Å; Q536-N540 PolarHBondContact O-N 2.99Å; Q536-R541 HydrophobicContact CB-CB 4.31Å; Q536-R541 PolarHBondContact O-N 2.92Å; Q536-P543 VanDerWaalsContact OE1-CA 3.31Å; Q536-S544 PolarHBondContact NE2-OG 2.89Å
537	L	97.4	Very high	96.3	Very high	30 Å²	30	60.1 Å²	60.1	16%	0.157	29%	0.287	C	S	.	.	H	α-helix	trans	-64.2	-45.1	176.2	-72.7	176.9	0	0	0	111.4	V533 E534 R539 N540 P543 Q559 R566	V533-L537 HydrophobicContact CG1-CD1 3.75Å; V533-L537 HydrophobicContact CG1-CG 4.25Å; V533-L537 WeakPolarHBondContact O-CB 3.32Å; V533-L537 VanDerWaalsContact O-CG 3.31Å; V533-L537 WeakPolarHBondContact O-CG 3.31Å; V533-L537 PolarHBondContact O-N 3Å; E534-L537 PolarHBondContact O-N 3.47Å; L537-R539 VanDerWaalsContact C-N 3.28Å; L537-R539 PolarHBondContact O-N 3.27Å; L537-N540 PolarHBondContact O-N 3.29Å; L537-P543 HydrophobicContact CD2-CG 3.68Å; L537-P543 HydrophobicContact CG-CG 4.22Å; L537-Q559 HydrophobicContact CD1-CB 4.21Å; L537-Q559 HydrophobicContact CD1-CG 4.22Å; L537-R566 HydrophobicContact CD2-CG 4.13Å
538	H	96.7	Very high	96.1	Very high	149 Å²	149	56.7 Å²	56.7	69%	0.69	27%	0.271	S	S	*	.	H	α-helix	trans	-59.5	-38.9	176.7	178.6	-86.9	0	0	0	112	E534 D535 N540	E534-H538 VanDerWaalsContact O-CB 3.31Å; E534-H538 WeakPolarHBondContact O-CB 3.36Å; E534-H538 PolarHBondContact O-N 2.88Å; D535-H538 PolarHBondContact O-N 3.36Å; H538-N540 PolarHBondContact O-N 3.49Å
539	R	94	Very high	95.8	Very high	140 Å²	140	53.9 Å²	53.9	53%	0.528	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	8.5	176.9	-65.7	-178.3	-166.2	-139.5	9.3	114.2	D535 Q536 L537 R541	D535-R539 VanDerWaalsContact CG-NE 3.3Å; D535-R539 WeakPolarHBondContact O-CB 3.37Å; D535-R539 VanDerWaalsContact O-CG 3.28Å; D535-R539 WeakPolarHBondContact O-CG 3.29Å; D535-R539 PolarHBondContact O-N 2.99Å; D535-R539 IonicContact OD1-CZ 3.98Å; D535-R539 VanDerWaalsContact OD1-CZ 3.28Å; D535-R539 IonicContact OD1-NE 2.82Å; D535-R539 PolarHBondContact OD1-NE 3.38Å; D535-R539 IonicContact OD1-NH2 2.92Å; D535-R539 PolarHBondContact OD1-NH2 3.39Å; D535-R539 IonicContact OD2-CZ 3.38Å; D535-R539 IonicContact OD2-NE 3.03Å; D535-R539 PolarHBondContact OD2-NE 2.84Å; D535-R539 VanDerWaalsContact OD2-NE 3.13Å; D535-R539 IonicContact OD2-NH2 2.81Å; Q536-R539 CarbonylContact O-C 3.59Å; Q536-R539 PolarHBondContact O-N 3.26Å; L537-R539 VanDerWaalsContact C-N 3.28Å; L537-R539 PolarHBondContact O-N 3.27Å; R539-R541 HydrophobicContact CB-CG 4.06Å; R539-R541 PolarHBondContact O-N 3.03Å; R539-R541 VanDerWaalsContact O-N 3.17Å
540	N	89.7	Confident	95.7	Very high	102 Å²	102	54 Å²	54	55%	0.545	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	28.7	-175.7	-67.3	-63.1	0	0	0	113.9	Q536 L537 H538 R566	Q536-N540 PolarHBondContact O-N 2.99Å; L537-N540 PolarHBondContact O-N 3.29Å; H538-N540 PolarHBondContact O-N 3.49Å; N540-R566 PolarHBondContact OD1-NH1 3.3Å; N540-R566 VanDerWaalsContact OD1-NH1 3.16Å; N540-R566 PolarHBondContact OD1-NH2 3.03Å
541	R	90.2	Very high	95.3	Very high	146 Å²	146	53.1 Å²	53.1	55%	0.551	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-87.2	154.2	176.6	-67.2	-177.1	175.6	-174.4	-3.9	110.6	Q536 R539 P543	Q536-R541 HydrophobicContact CB-CB 4.31Å; Q536-R541 PolarHBondContact O-N 2.92Å; R539-R541 HydrophobicContact CB-CG 4.06Å; R539-R541 PolarHBondContact O-N 3.03Å; R539-R541 VanDerWaalsContact O-N 3.17Å; R541-P543 VanDerWaalsContact O-CD 3.24Å; R541-P543 WeakPolarHBondContact O-CD 3.48Å
542	L	92.3	Very high	95	Very high	83 Å²	83	49.6 Å²	49.6	44%	0.435	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-63.2	121.8	169.4	-172.9	69.2	0	0	0	109	R566 L570	L542-R566 HydrophobicContact CD1-CB 4.2Å; L542-L570 HydrophobicContact CD1-CD2 4.46Å; L542-L570 HydrophobicContact CD2-CD2 3.97Å
543	P	97	Very high	94.8	Very high	6 Å²	6	49.2 Å²	49.2	4%	0.039	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-68.3	143.2	-177.3	-26.5	39.4	0	0	0	113.2	Q536 L537 R541 V545 I563	Q536-P543 VanDerWaalsContact OE1-CA 3.31Å; L537-P543 HydrophobicContact CD2-CG 3.68Å; L537-P543 HydrophobicContact CG-CG 4.22Å; R541-P543 VanDerWaalsContact O-CD 3.24Å; R541-P543 WeakPolarHBondContact O-CD 3.48Å; P543-V545 PolarHBondContact O-N 3.44Å; P543-I563 HydrophobicContact CB-CG1 3.96Å; P543-I563 HydrophobicContact CB-CG2 4.49Å; P543-I563 HydrophobicContact CG-CB 4.43Å; P543-I563 HydrophobicContact CG-CG1 3.96Å
544	S	96.3	Very high	94.6	Very high	12 Å²	12	52.9 Å²	52.9	8%	0.084	25%	0.251	C	S	.	.	S	Bend	trans	-68.6	-19.4	175.8	-64.8	0	0	0	0	113.1	D504 Q536	D504-S544 PolarHBondContact N-OG 3.47Å; D504-S544 VanDerWaalsContact OD1-CB 3.24Å; D504-S544 WeakPolarHBondContact OD1-CB 3.37Å; D504-S544 PolarHBondContact OD1-OG 3.25Å; Q536-S544 PolarHBondContact NE2-OG 2.89Å
545	V	96.9	Very high	94.5	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.018	23%	0.23	C	C	.	.	S	Bend	trans	-89.4	113.3	174	176.4	0	0	0	0	109.1	C507 I529 V533 P543 H549 Y553 I563	C507-V545 HydrophobicContact CB-CG2 4.33Å; I529-V545 HydrophobicContact CG2-CG2 3.76Å; V533-V545 HydrophobicContact CG2-CB 4.03Å; V533-V545 HydrophobicContact CG2-CG2 3.65Å; P543-V545 PolarHBondContact O-N 3.44Å; V545-H549 HydrophobicContact CG1-CB 4.29Å; V545-Y553 HydrophobicContact CG1-CD2 3.92Å; V545-Y553 HydrophobicContact CG1-CE2 3.87Å; V545-Y553 HydrophobicContact CG2-CE2 4.35Å; V545-I563 HydrophobicContact CB-CD1 4.41Å; V545-I563 HydrophobicContact CG1-CD1 4.38Å; V545-I563 WeakPolarHBondContact O-CG2 3.37Å
546	H	94.3	Very high	94.4	Very high	66 Å²	66	48.7 Å²	48.7	31%	0.306	24%	0.235	S	C	.	.			trans	-61.9	145	174	-165.7	-99.2	0	0	0	111.8	H548 H549 S550 H567 Y681	H546-H548 PolarHBondContact ND1-N 3.45Å; H546-H548 PolarHBondContact O-N 3.17Å; H546-H548 VanDerWaalsContact O-N 3.13Å; H546-H549 PolarHBondContact O-N 3.08Å; H546-S550 PolarHBondContact O-N 3.07Å; H546-S550 VanDerWaalsContact O-N 3.14Å; H546-H567 AromaticContact CD2-CE1 3.69Å; H546-Y681 PolarHBondContact CE1-O 3.04Å; H546-Y681 VanDerWaalsContact CE1-O 3.23Å
547	P	96.7	Very high	94.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-50.2	-42.6	-179.8	-27.2	29.4	0	0	0	113.5	H549 S550 I563 H567 Y681 Y704	P547-H549 VanDerWaalsContact C-N 3.32Å; P547-H549 PolarHBondContact O-N 3.4Å; P547-S550 WeakPolarHBondContact O-CB 3.5Å; P547-S550 PolarHBondContact O-N 2.95Å; P547-S550 VanDerWaalsContact O-N 3.12Å; P547-S550 PolarHBondContact O-OG 2.9Å; P547-I563 HydrophobicContact CB-CG2 4.36Å; P547-I563 HydrophobicContact CG-CG2 3.92Å; P547-H567 HydrophobicContact CG-CB 4.07Å; P547-Y681 HydrophobicContact CB-CD1 4.33Å; P547-Y681 HydrophobicContact CB-CD2 3.44Å; P547-Y681 VanDerWaalsContact CB-CD2 3.44Å; P547-Y681 HydrophobicContact CB-CE2 4Å; P547-Y681 HydrophobicContact CB-CG 3.63Å; P547-Y681 HydrophobicContact CG-CD1 3.89Å; P547-Y681 HydrophobicContact CG-CD2 3.75Å; P547-Y681 HydrophobicContact CG-CE1 4.13Å; P547-Y681 HydrophobicContact CG-CE2 3.96Å; P547-Y681 HydrophobicContact CG-CG 3.71Å; P547-Y704 WeakPolarHBondContact CB-OH 3.48Å; P547-Y704 PolarHBondContact O-OH 3.16Å
548	H	92.1	Very high	94.3	Very high	57 Å²	57	55.9 Å²	55.9	26%	0.264	27%	0.268	S	S	.	.	H	α-helix	trans	-63.5	-30.9	177.3	-173.9	-125.8	0	0	0	114.5	H546 M551 Y704	H546-H548 PolarHBondContact ND1-N 3.45Å; H546-H548 PolarHBondContact O-N 3.17Å; H546-H548 VanDerWaalsContact O-N 3.13Å; H548-M551 WeakPolarHBondContact O-CE 3.35Å; H548-M551 WeakPolarHBondContact O-CG 3.21Å; H548-Y704 HydrophobicContact CB-CE2 4.22Å
549	H	93.1	Very high	94.4	Very high	32 Å²	32	49.9 Å²	49.9	15%	0.148	24%	0.24	C	C	.	.	H	α-helix	trans	-82.3	-21.4	175.6	-55.6	146.5	0	0	0	112.3	H511 V545 H546 P547 M551 L552 Y553	H511-H549 AromaticContact CE1-CD2 3.56Å; H511-H549 AromaticContact CE1-NE2 3.84Å; H511-H549 AromaticContact ND1-CD2 3.94Å; H511-H549 AromaticContact NE2-CD2 3.89Å; H511-H549 AromaticContact NE2-NE2 3.67Å; V545-H549 HydrophobicContact CG1-CB 4.29Å; H546-H549 PolarHBondContact O-N 3.08Å; P547-H549 VanDerWaalsContact C-N 3.32Å; P547-H549 PolarHBondContact O-N 3.4Å; H549-M551 PolarHBondContact O-N 3.05Å; H549-M551 VanDerWaalsContact O-N 3.11Å; H549-L552 WeakPolarHBondContact O-CB 3.33Å; H549-L552 PolarHBondContact O-N 3.1Å; H549-Y553 HydrophobicContact CB-CE2 4.15Å; H549-Y553 WeakPolarHBondContact O-CD2 3.35Å; H549-Y553 WeakPolarHBondContact O-CE2 3.47Å
550	S	95.3	Very high	94.6	Very high	5 Å²	5	44.6 Å²	44.6	4%	0.035	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-23.8	-176	77.8	0	0	0	0	114	H546 P547 L552 Y553 R560	H546-S550 PolarHBondContact O-N 3.07Å; H546-S550 VanDerWaalsContact O-N 3.14Å; P547-S550 WeakPolarHBondContact O-CB 3.5Å; P547-S550 PolarHBondContact O-N 2.95Å; P547-S550 VanDerWaalsContact O-N 3.12Å; P547-S550 PolarHBondContact O-OG 2.9Å; S550-L552 PolarHBondContact O-N 3.42Å; S550-Y553 PolarHBondContact O-N 2.89Å; S550-R560 PolarHBondContact O-NE 3.37Å
551	M	90	Very high	95	Very high	13 Å²	13	43 Å²	43	6%	0.064	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-19.7	176.1	71.2	-178	70.1	0	0	113.6	H548 H549 Y553 Y704 P705 C968 A993	H548-M551 WeakPolarHBondContact O-CE 3.35Å; H548-M551 WeakPolarHBondContact O-CG 3.21Å; H549-M551 PolarHBondContact O-N 3.05Å; H549-M551 VanDerWaalsContact O-N 3.11Å; M551-Y553 VanDerWaalsContact C-N 3.34Å; M551-Y704 HydrophobicContact CE-CE2 4.28Å; M551-P705 HydrophobicContact CE-CG 3.78Å; M551-P705 HydrophobicContact SD-CG 4.36Å; M551-C968 HydrophobicContact SD-CB 4.29Å; M551-A993 HydrophobicContact CB-CB 4.22Å; M551-A993 HydrophobicContact CE-CB 4.4Å; M551-A993 HydrophobicContact SD-CB 3.7Å
552	L	92.6	Very high	95.4	Very high	4 Å²	4	37 Å²	37	2%	0.021	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-7.2	-178.5	-57.6	173.4	0	0	0	112.9	L514 H549 S550 Y892 C968	L514-L552 HydrophobicContact CD2-CB 4.1Å; L514-L552 HydrophobicContact CD2-CD1 3.97Å; H549-L552 WeakPolarHBondContact O-CB 3.33Å; H549-L552 PolarHBondContact O-N 3.1Å; S550-L552 PolarHBondContact O-N 3.42Å; L552-Y892 HydrophobicContact CD1-CD2 3.59Å; L552-Y892 HydrophobicContact CD1-CE2 3.89Å; L552-Y892 HydrophobicContact CD2-CD2 3.94Å; L552-Y892 HydrophobicContact CD2-CE2 3.99Å; L552-Y892 HydrophobicContact CG-CD2 4.43Å; L552-C968 HydrophobicContact CD2-CB 4.37Å
553	Y	94	Very high	95.7	Very high	12 Å²	12	33 Å²	33	5%	0.047	17%	0.171	C	C	.	.	S	Bend	trans	-114.4	150.7	-177	-55	-58.4	0	0	0	110.8	I529 V545 H549 S550 M551 L555 R560	I529-Y553 HydrophobicContact CD1-CD1 4.23Å; I529-Y553 HydrophobicContact CD1-CE1 3.73Å; I529-Y553 HydrophobicContact CG2-CD2 4.36Å; I529-Y553 HydrophobicContact CG2-CG 4.4Å; V545-Y553 HydrophobicContact CG1-CD2 3.92Å; V545-Y553 HydrophobicContact CG1-CE2 3.87Å; V545-Y553 HydrophobicContact CG2-CE2 4.35Å; H549-Y553 HydrophobicContact CB-CE2 4.15Å; H549-Y553 WeakPolarHBondContact O-CD2 3.35Å; H549-Y553 WeakPolarHBondContact O-CE2 3.47Å; S550-Y553 PolarHBondContact O-N 2.89Å; M551-Y553 VanDerWaalsContact C-N 3.34Å; Y553-L555 PolarHBondContact O-N 3.23Å; Y553-R560 PolarHBondContact O-NH2 3.38Å
554	P	93.4	Very high	95.7	Very high	76 Å²	76	32.8 Å²	32.8	49%	0.494	17%	0.169	S	C	.	.			trans	-77.9	54.3	178.4	34.7	-36.7	0	0	0	111.5	T526 L530	T526-P554 HydrophobicContact CG2-CG 3.59Å; L530-P554 HydrophobicContact CD1-CG 4.36Å; L530-P554 HydrophobicContact CD2-CG 4.45Å
555	L	95.8	Very high	95.8	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.179	C	C	.	.			trans	-79.2	153.7	174.3	-68.9	164.7	0	0	0	110.3	L530 V533 Y553 Q559 R560 I563	L530-L555 HydrophobicContact CD2-CD2 3.47Å; L530-L555 VanDerWaalsContact CD2-CD2 3.47Å; L530-L555 HydrophobicContact CD2-CG 3.97Å; V533-L555 HydrophobicContact CB-CD2 4.14Å; V533-L555 HydrophobicContact CG1-CD2 3.89Å; V533-L555 HydrophobicContact CG2-CD2 4.27Å; Y553-L555 PolarHBondContact O-N 3.23Å; L555-Q559 HydrophobicContact CB-CB 4.21Å; L555-Q559 HydrophobicContact CD2-CB 4.17Å; L555-R560 HydrophobicContact CB-CG 3.84Å; L555-R560 HydrophobicContact CD1-CG 4.34Å; L555-R560 PolarHBondContact O-NH1 3.3Å; L555-R560 PolarHBondContact O-NH2 3.33Å; L555-I563 HydrophobicContact CD1-CD1 3.77Å
556	T	96.6	Very high	95.8	Very high	71 Å²	71	37.7 Å²	37.7	44%	0.436	19%	0.193	S	C	.	.			trans	-72.8	164.5	171.9	70.8	0	0	0	0	111.4	E558 Q559 R560	T556-E558 VanDerWaalsContact C-N 3.27Å; T556-E558 PolarHBondContact O-N 2.9Å; T556-Q559 PolarHBondContact O-N 3.21Å; T556-Q559 WeakPolarHBondContact OG1-CG 3.31Å; T556-Q559 PolarHBondContact OG1-N 3.04Å; T556-Q559 VanDerWaalsContact OG1-N 3.11Å; T556-R560 WeakPolarHBondContact O-CG 3.26Å; T556-R560 PolarHBondContact O-N 3.35Å
557	H	97	Very high	95.9	Very high	33 Å²	33	35.8 Å²	35.8	15%	0.153	18%	0.184	C	C	.	.	H	α-helix	trans	-58.4	-40.2	171.8	-71	-45.9	0	0	0	112.6	R560 K561 H729 A730 E990	H557-R560 PolarHBondContact O-N 3.13Å; H557-K561 VanDerWaalsContact O-CB 3.29Å; H557-K561 WeakPolarHBondContact O-CB 3.37Å; H557-K561 PolarHBondContact O-N 2.96Å; H557-H729 AromaticContact CD2-NE2 3.72Å; H557-A730 HydrophobicContact CB-CB 3.78Å; H557-E990 PolarHBondContact CE1-O 3.45Å
558	E	97.2	Very high	96	Very high	162 Å²	162	35.9 Å²	35.9	76%	0.757	19%	0.185	S	C	*	.	H	α-helix	trans	-62.6	-44.4	177.2	-175.6	172.4	-167.5	0	0	111.5	T556 K561 G562	T556-E558 VanDerWaalsContact C-N 3.27Å; T556-E558 PolarHBondContact O-N 2.9Å; E558-K561 PolarHBondContact O-N 2.92Å; E558-G562 PolarHBondContact O-N 3.17Å
559	Q	98	Very high	96.2	Very high	24 Å²	24	37 Å²	37	11%	0.112	19%	0.19	C	C	.	.	H	α-helix	trans	-63.3	-45.5	176.6	-73.3	171.3	-27.4	0	0	112	V533 E534 L537 L555 T556 K561 G562 I563	V533-Q559 HydrophobicContact CG1-CB 4.46Å; E534-Q559 PolarHBondContact OE2-NE2 3.48Å; L537-Q559 HydrophobicContact CD1-CB 4.21Å; L537-Q559 HydrophobicContact CD1-CG 4.22Å; L555-Q559 HydrophobicContact CB-CB 4.21Å; L555-Q559 HydrophobicContact CD2-CB 4.17Å; T556-Q559 PolarHBondContact O-N 3.21Å; T556-Q559 WeakPolarHBondContact OG1-CG 3.31Å; T556-Q559 PolarHBondContact OG1-N 3.04Å; T556-Q559 VanDerWaalsContact OG1-N 3.11Å; Q559-K561 PolarHBondContact O-N 3.38Å; Q559-G562 PolarHBondContact O-N 3.03Å; Q559-I563 VanDerWaalsContact O-CG1 3.29Å; Q559-I563 WeakPolarHBondContact O-CG1 3.4Å; Q559-I563 PolarHBondContact O-N 3.48Å
560	R	97.8	Very high	96.1	Very high	28 Å²	28	38.2 Å²	38.2	11%	0.106	20%	0.198	C	C	.	.	H	α-helix	trans	-63.1	-42.6	177.9	-66.4	-173.4	-167.2	104	-5.7	111.9	S550 Y553 L555 T556 H557 G562 I563 A564 E990 T991	S550-R560 PolarHBondContact O-NE 3.37Å; Y553-R560 PolarHBondContact O-NH2 3.38Å; L555-R560 HydrophobicContact CB-CG 3.84Å; L555-R560 HydrophobicContact CD1-CG 4.34Å; L555-R560 PolarHBondContact O-NH1 3.3Å; L555-R560 PolarHBondContact O-NH2 3.33Å; T556-R560 WeakPolarHBondContact O-CG 3.26Å; T556-R560 PolarHBondContact O-N 3.35Å; H557-R560 PolarHBondContact O-N 3.13Å; R560-G562 VanDerWaalsContact C-N 3.35Å; R560-I563 PolarHBondContact O-N 2.82Å; R560-A564 PolarHBondContact O-N 3.35Å; R560-E990 IonicContact CZ-OE1 2.64Å; R560-E990 IonicContact NH1-OE1 3.16Å; R560-E990 PolarHBondContact NH1-OE1 3.26Å; R560-E990 IonicContact NH2-OE1 2.72Å; R560-E990 PolarHBondContact NH2-OE1 2.87Å; R560-T991 VanDerWaalsContact CZ-CG2 3.45Å
561	K	98	Very high	96	Very high	69 Å²	69	38.5 Å²	38.5	30%	0.3	20%	0.2	S	C	.	.	H	α-helix	trans	-64.4	-39.9	174.5	-175.4	174.5	176.2	170.4	0	111.4	H557 E558 Q559 A564 A565 T707 H729 Y731	H557-K561 VanDerWaalsContact O-CB 3.29Å; H557-K561 WeakPolarHBondContact O-CB 3.37Å; H557-K561 PolarHBondContact O-N 2.96Å; E558-K561 PolarHBondContact O-N 2.92Å; Q559-K561 PolarHBondContact O-N 3.38Å; K561-A564 PolarHBondContact O-N 2.68Å; K561-A565 VanDerWaalsContact O-CB 3.25Å; K561-A565 WeakPolarHBondContact O-CB 3.18Å; K561-A565 PolarHBondContact O-N 2.8Å; K561-T707 HydrophobicContact CB-CG2 4.38Å; K561-H729 PolarHBondContact NZ-O 3.43Å; K561-Y731 WeakPolarHBondContact CE-O 3.14Å; K561-Y731 PolarHBondContact NZ-O 2.96Å
562	G	98.3	Very high	96.2	Very high	20 Å²	20	40.1 Å²	40.1	21%	0.206	21%	0.208	C	C	.	.	H	α-helix	trans	-62.4	-45	175.3	0	0	0	0	0	112.6	E558 Q559 R560 A565 R566	E558-G562 PolarHBondContact O-N 3.17Å; Q559-G562 PolarHBondContact O-N 3.03Å; R560-G562 VanDerWaalsContact C-N 3.35Å; G562-A565 PolarHBondContact O-N 3.28Å; G562-R566 WeakPolarHBondContact O-CG 3.45Å; G562-R566 PolarHBondContact O-N 2.93Å
563	I	98.5	Very high	96	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.2	-54.3	173.7	-68.5	164.9	0	0	0	110	V533 P543 V545 P547 L555 Q559 R560 A565 R566 H567	V533-I563 HydrophobicContact CG1-CD1 3.89Å; V533-I563 HydrophobicContact CG1-CG1 4.13Å; V533-I563 HydrophobicContact CG2-CD1 4.43Å; P543-I563 HydrophobicContact CB-CG1 3.96Å; P543-I563 HydrophobicContact CB-CG2 4.49Å; P543-I563 HydrophobicContact CG-CB 4.43Å; P543-I563 HydrophobicContact CG-CG1 3.96Å; V545-I563 HydrophobicContact CB-CD1 4.41Å; V545-I563 HydrophobicContact CG1-CD1 4.38Å; V545-I563 WeakPolarHBondContact O-CG2 3.37Å; P547-I563 HydrophobicContact CB-CG2 4.36Å; P547-I563 HydrophobicContact CG-CG2 3.92Å; L555-I563 HydrophobicContact CD1-CD1 3.77Å; Q559-I563 VanDerWaalsContact O-CG1 3.29Å; Q559-I563 WeakPolarHBondContact O-CG1 3.4Å; Q559-I563 PolarHBondContact O-N 3.48Å; R560-I563 PolarHBondContact O-N 2.82Å; I563-A565 VanDerWaalsContact C-N 3.3Å; I563-A565 PolarHBondContact O-N 3.41Å; I563-R566 PolarHBondContact O-N 2.82Å; I563-H567 PolarHBondContact O-CD2 3.36Å; I563-H567 VanDerWaalsContact O-CD2 3.32Å; I563-H567 PolarHBondContact O-N 2.69Å
564	A	98.4	Very high	95.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.7	-43.3	178.6	0	0	0	0	0	111.8	R560 K561 R566 H567 A568 Y681 T707	R560-A564 PolarHBondContact O-N 3.35Å; K561-A564 PolarHBondContact O-N 2.68Å; A564-R566 PolarHBondContact O-N 3.13Å; A564-H567 PolarHBondContact O-N 2.85Å; A564-A568 PolarHBondContact O-N 3.09Å; A564-Y681 HydrophobicContact CB-CE2 3.94Å; A564-Y681 PolarHBondContact O-OH 2.88Å; A564-T707 HydrophobicContact CB-CG2 4.11Å; A564-T707 WeakPolarHBondContact CB-O 3.46Å
565	A	98.5	Very high	95.3	Very high	34 Å²	34	44.2 Å²	44.2	28%	0.281	22%	0.221	S	C	.	.	H	α-helix	trans	-63.4	-37	179.7	0	0	0	0	0	113	K561 G562 I563 A568 Q569 G709	K561-A565 VanDerWaalsContact O-CB 3.25Å; K561-A565 WeakPolarHBondContact O-CB 3.18Å; K561-A565 PolarHBondContact O-N 2.8Å; G562-A565 PolarHBondContact O-N 3.28Å; I563-A565 VanDerWaalsContact C-N 3.3Å; I563-A565 PolarHBondContact O-N 3.41Å; A565-A568 PolarHBondContact O-N 3.36Å; A565-Q569 VanDerWaalsContact O-CB 3.29Å; A565-Q569 WeakPolarHBondContact O-CB 3.37Å; A565-Q569 PolarHBondContact O-N 2.82Å; A565-G709 VanDerWaalsContact CA-O 3.32Å; A565-G709 WeakPolarHBondContact CA-O 3.4Å; A565-G709 WeakPolarHBondContact CB-O 3.4Å
566	R	97.1	Very high	94.9	Very high	84 Å²	84	47.8 Å²	47.8	32%	0.317	25%	0.246	S	C	.	.	H	α-helix	trans	-68.7	-37.9	175.9	-66.6	-65.6	143.2	169.9	6.5	112.5	L537 N540 L542 G562 I563 A564 Q569 L570	L537-R566 HydrophobicContact CD2-CG 4.13Å; N540-R566 PolarHBondContact OD1-NH1 3.3Å; N540-R566 VanDerWaalsContact OD1-NH1 3.16Å; N540-R566 PolarHBondContact OD1-NH2 3.03Å; L542-R566 HydrophobicContact CD1-CB 4.2Å; G562-R566 WeakPolarHBondContact O-CG 3.45Å; G562-R566 PolarHBondContact O-N 2.93Å; I563-R566 PolarHBondContact O-N 2.82Å; A564-R566 PolarHBondContact O-N 3.13Å; R566-Q569 PolarHBondContact O-N 2.77Å; R566-L570 PolarHBondContact O-N 2.79Å
567	H	96.1	Very high	94	Very high	26 Å²	26	47 Å²	47	12%	0.12	24%	0.241	C	C	.	.	H	α-helix	trans	-67.4	-38.2	173.5	-81	-97.7	0	0	0	112.3	H546 P547 I563 A564 L570 C571 Y681	H546-H567 AromaticContact CD2-CE1 3.69Å; P547-H567 HydrophobicContact CG-CB 4.07Å; I563-H567 PolarHBondContact O-CD2 3.36Å; I563-H567 VanDerWaalsContact O-CD2 3.32Å; I563-H567 PolarHBondContact O-N 2.69Å; A564-H567 PolarHBondContact O-N 2.85Å; H567-L570 PolarHBondContact O-N 3.04Å; H567-C571 PolarHBondContact O-N 2.93Å; H567-C571 PolarHBondContact O-SG 3.45Å; H567-Y681 HydrophobicContact CB-CD1 4.47Å; H567-Y681 HydrophobicContact CB-CE1 3.62Å
568	A	98	Very high	93.2	Very high	2 Å²	2	49 Å²	49	2%	0.017	25%	0.252	C	S	.	.	H	α-helix	trans	-65.4	-40.3	172.9	0	0	0	0	0	112	A564 A565 L570 C571 L572 Y681 A710 F712	A564-A568 PolarHBondContact O-N 3.09Å; A565-A568 PolarHBondContact O-N 3.36Å; A568-L570 VanDerWaalsContact C-N 3.35Å; A568-L570 PolarHBondContact O-N 2.9Å; A568-C571 VanDerWaalsContact O-CB 3.3Å; A568-C571 WeakPolarHBondContact O-CB 3.36Å; A568-C571 PolarHBondContact O-N 3.32Å; A568-C571 VanDerWaalsContact O-N 3.1Å; A568-L572 PolarHBondContact O-N 3.37Å; A568-L572 VanDerWaalsContact O-N 3.07Å; A568-Y681 PolarHBondContact N-OH 3.33Å; A568-A710 HydrophobicContact CB-CB 3.58Å; A568-F712 HydrophobicContact CB-CE1 4.04Å; A568-F712 HydrophobicContact CB-CZ 4.15Å
569	Q	95.9	Very high	92.4	Very high	80 Å²	80	48.1 Å²	48.1	37%	0.374	25%	0.248	S	C	.	.	H	α-helix	trans	-63.1	-40.4	176.8	-176.6	58	34.6	0	0	111.8	A565 R566 C571 L572 E573	A565-Q569 VanDerWaalsContact O-CB 3.29Å; A565-Q569 WeakPolarHBondContact O-CB 3.37Å; A565-Q569 PolarHBondContact O-N 2.82Å; R566-Q569 PolarHBondContact O-N 2.77Å; Q569-C571 PolarHBondContact O-N 3.17Å; Q569-L572 WeakPolarHBondContact O-CA 3.43Å; Q569-L572 WeakPolarHBondContact O-CB 3.49Å; Q569-L572 PolarHBondContact O-N 3.21Å; Q569-E573 WeakPolarHBondContact CG-OE1 3.21Å; Q569-E573 WeakPolarHBondContact O-CG 3.44Å; Q569-E573 PolarHBondContact O-N 3.16Å
570	L	91.8	Very high	91.8	Very high	59 Å²	59	50.7 Å²	50.7	31%	0.309	26%	0.259	S	S	.	.	H	α-helix	trans	-58.3	-38.1	172.3	179.7	65.1	0	0	0	111.8	L542 R566 H567 A568 E573 K574	L542-L570 HydrophobicContact CD1-CD2 4.46Å; L542-L570 HydrophobicContact CD2-CD2 3.97Å; R566-L570 PolarHBondContact O-N 2.79Å; H567-L570 PolarHBondContact O-N 3.04Å; A568-L570 VanDerWaalsContact C-N 3.35Å; A568-L570 PolarHBondContact O-N 2.9Å; L570-E573 PolarHBondContact O-N 3.39Å; L570-K574 WeakPolarHBondContact O-CG 3.07Å; L570-K574 PolarHBondContact O-N 3.32Å
571	C	93.4	Very high	91.5	Very high	11 Å²	11	53 Å²	53	7%	0.074	28%	0.284	C	S	.	.	H	α-helix	trans	-64.1	-42.2	174.6	-58.8	0	0	0	0	111.2	H567 A568 Q569 K574 V575 E688 A691 F712	H567-C571 PolarHBondContact O-N 2.93Å; H567-C571 PolarHBondContact O-SG 3.45Å; A568-C571 VanDerWaalsContact O-CB 3.3Å; A568-C571 WeakPolarHBondContact O-CB 3.36Å; A568-C571 PolarHBondContact O-N 3.32Å; A568-C571 VanDerWaalsContact O-N 3.1Å; Q569-C571 PolarHBondContact O-N 3.17Å; C571-K574 PolarHBondContact O-N 3.05Å; C571-V575 WeakPolarHBondContact O-CG1 3.4Å; C571-V575 WeakPolarHBondContact O-CG2 3.41Å; C571-V575 PolarHBondContact O-N 3.05Å; C571-E688 HydrophobicContact CB-CG 4.29Å; C571-A691 HydrophobicContact CB-CB 4.22Å; C571-F712 HydrophobicContact CB-CZ 4.41Å
572	L	94.1	Very high	91.3	Very high	46 Å²	46	55.7 Å²	55.7	24%	0.241	31%	0.308	C	S	.	.	H	α-helix	trans	-61.7	-43	176.2	-74.1	168	0	0	0	112.2	A568 Q569 V575 S576 A691 F712	A568-L572 PolarHBondContact O-N 3.37Å; A568-L572 VanDerWaalsContact O-N 3.07Å; Q569-L572 WeakPolarHBondContact O-CA 3.43Å; Q569-L572 WeakPolarHBondContact O-CB 3.49Å; Q569-L572 PolarHBondContact O-N 3.21Å; L572-V575 WeakPolarHBondContact O-CG2 3.4Å; L572-V575 PolarHBondContact O-N 2.98Å; L572-S576 WeakPolarHBondContact O-CB 3.24Å; L572-S576 PolarHBondContact O-N 3.23Å; L572-A691 HydrophobicContact CD2-CB 4.18Å; L572-F712 HydrophobicContact CD1-CD1 4.31Å; L572-F712 HydrophobicContact CD1-CE1 4.5Å; L572-F712 HydrophobicContact CD2-CD1 3.93Å; L572-F712 HydrophobicContact CD2-CE1 4.4Å; L572-F712 HydrophobicContact CG-CD1 4.01Å; L572-F712 HydrophobicContact CG-CE1 4.05Å
573	E	87.5	Confident	91.3	Very high	99 Å²	99	56.6 Å²	56.6	46%	0.463	31%	0.306	S	S	.	.	H	α-helix	trans	-61.5	-48.6	176.3	-71.2	165	-168.9	0	0	110.9	Q569 L570 V575 S576	Q569-E573 WeakPolarHBondContact CG-OE1 3.21Å; Q569-E573 WeakPolarHBondContact O-CG 3.44Å; Q569-E573 PolarHBondContact O-N 3.16Å; L570-E573 PolarHBondContact O-N 3.39Å; E573-V575 VanDerWaalsContact C-N 3.32Å; E573-V575 PolarHBondContact O-N 3.44Å; E573-S576 PolarHBondContact O-N 3.44Å; E573-S576 PolarHBondContact O-OG 3.21Å
574	K	85.2	Confident	91.1	Very high	66 Å²	66	65.9 Å²	65.9	29%	0.287	35%	0.349	S	S	.	.	H	α-helix	trans	-57.5	-43.1	177.2	-76.4	-171.8	175.1	-162.3	0	112.4	E447 L570 C571 E688	E447-K574 IonicContact OE1-NZ 3.44Å; E447-K574 PolarHBondContact OE1-NZ 3.32Å; E447-K574 VanDerWaalsContact OE1-NZ 3.08Å; L570-K574 WeakPolarHBondContact O-CG 3.07Å; L570-K574 PolarHBondContact O-N 3.32Å; C571-K574 PolarHBondContact O-N 3.05Å; K574-E688 HydrophobicContact CB-CG 4.46Å
575	V	89	Confident	91.1	Very high	13 Å²	13	68.8 Å²	68.8	8%	0.079	36%	0.363	C	S	.	.	H	α-helix	trans	-80	-24.5	-178.3	-57.5	0	0	0	0	113.4	C571 L572 E573 V577 L578 E688 A691 L692	C571-V575 WeakPolarHBondContact O-CG1 3.4Å; C571-V575 WeakPolarHBondContact O-CG2 3.41Å; C571-V575 PolarHBondContact O-N 3.05Å; L572-V575 WeakPolarHBondContact O-CG2 3.4Å; L572-V575 PolarHBondContact O-N 2.98Å; E573-V575 VanDerWaalsContact C-N 3.32Å; E573-V575 PolarHBondContact O-N 3.44Å; V575-V577 PolarHBondContact O-N 3.42Å; V575-L578 HydrophobicContact CB-CD1 4.45Å; V575-L578 VanDerWaalsContact O-CB 3.31Å; V575-L578 WeakPolarHBondContact O-CB 3.42Å; V575-L578 PolarHBondContact O-N 3Å; V575-E688 HydrophobicContact CG1-CB 3.64Å; V575-E688 HydrophobicContact CG1-CG 4.1Å; V575-A691 HydrophobicContact CG1-CB 4.29Å; V575-A691 HydrophobicContact CG2-CB 3.91Å; V575-L692 HydrophobicContact CB-CD2 3.81Å; V575-L692 HydrophobicContact CB-CG 4.01Å; V575-L692 HydrophobicContact CG1-CD1 4.45Å; V575-L692 HydrophobicContact CG1-CD2 4.29Å; V575-L692 HydrophobicContact CG1-CG 3.94Å; V575-L692 HydrophobicContact CG2-CD2 4.31Å
576	S	86.3	Confident	90.8	Very high	77 Å²	77	68.4 Å²	68.4	54%	0.538	36%	0.357	S	S	.	.	H	α-helix	trans	-62.7	-30.3	176.6	68.2	0	0	0	0	112.8	L572 E573 L578 H579	L572-S576 WeakPolarHBondContact O-CB 3.24Å; L572-S576 PolarHBondContact O-N 3.23Å; E573-S576 PolarHBondContact O-N 3.44Å; E573-S576 PolarHBondContact O-OG 3.21Å; S576-L578 PolarHBondContact O-N 2.73Å; S576-H579 PolarHBondContact O-N 3.35Å; S576-H579 VanDerWaalsContact O-N 3.13Å
577	V	78	Confident	90.5	Very high	54 Å²	54	72.9 Å²	72.9	33%	0.327	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.4	176.1	178	0	0	0	0	112	Q414 V575 H579	Q414-V577 HydrophobicContact CB-CG1 3.84Å; Q414-V577 HydrophobicContact CG-CG1 3.77Å; V575-V577 PolarHBondContact O-N 3.42Å; V577-H579 PolarHBondContact O-CD2 3.44Å; V577-H579 PolarHBondContact O-N 3.26Å
578	L	79.9	Confident	90.4	Very high	75 Å²	75	74.3 Å²	74.3	39%	0.393	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-9.6	176.8	-55.5	177.4	0	0	0	112.7	V575 S576 K580 L692	V575-L578 HydrophobicContact CB-CD1 4.45Å; V575-L578 VanDerWaalsContact O-CB 3.31Å; V575-L578 WeakPolarHBondContact O-CB 3.42Å; V575-L578 PolarHBondContact O-N 3Å; S576-L578 PolarHBondContact O-N 2.73Å; L578-K580 PolarHBondContact O-N 2.92Å; L578-L692 HydrophobicContact CD1-CD1 4.44Å
579	H	81.4	Confident	90.2	Very high	143 Å²	143	76.6 Å²	76.6	66%	0.662	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.8	35	-178.9	-59.3	-73.7	0	0	0	114.2	E384 S576 V577	E384-H579 IonicContact OE1-CE1 2.71Å; E384-H579 IonicContact OE1-NE2 3.86Å; S576-H579 PolarHBondContact O-N 3.35Å; S576-H579 VanDerWaalsContact O-N 3.13Å; V577-H579 PolarHBondContact O-CD2 3.44Å; V577-H579 PolarHBondContact O-N 3.26Å
580	K	85.2	Confident	89.9	Confident	78 Å²	78	73.3 Å²	73.3	34%	0.339	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-81.8	136.3	-173.7	-160.1	174.2	-179.7	67.2	0	111.1	L578 Y583 D665 L692	L578-K580 PolarHBondContact O-N 2.92Å; K580-Y583 VanDerWaalsContact CE-CZ 3.47Å; K580-Y583 WeakPolarHBondContact CE-OH 3.23Å; K580-D665 WeakPolarHBondContact CE-OD1 3.42Å; K580-D665 IonicContact NZ-OD1 3.22Å; K580-D665 PolarHBondContact NZ-OD1 3.07Å; K580-D665 IonicContact NZ-OD2 2.72Å; K580-D665 PolarHBondContact NZ-OD2 3.31Å; K580-L692 HydrophobicContact CB-CD2 4.4Å; K580-L692 HydrophobicContact CD-CD2 4.17Å
581	A	90.5	Very high	89.6	Confident	78 Å²	78	77.2 Å²	77.2	65%	0.645	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-67.5	143.8	173.9	0	0	0	0	0	111
582	P	94.5	Very high	89.5	Confident	124 Å²	124	81.4 Å²	81.4	81%	0.805	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-57	142.9	174.1	-24.5	33.9	0	0	0	112.4
583	Y	97	Very high	89.4	Confident	39 Å²	39	81.1 Å²	81.1	15%	0.153	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-71.4	148.2	178.6	-65.8	-77.5	0	0	0	112.4	K580 H585 A664 D665 A668 L692 R693 P694	K580-Y583 VanDerWaalsContact CE-CZ 3.47Å; K580-Y583 WeakPolarHBondContact CE-OH 3.23Å; Y583-H585 PolarHBondContact O-N 3.4Å; Y583-A664 HydrophobicContact CE2-CB 4.14Å; Y583-A664 VanDerWaalsContact OH-C 3.23Å; Y583-A664 VanDerWaalsContact OH-CB 3.23Å; Y583-A664 WeakPolarHBondContact OH-CB 3.43Å; Y583-D665 WeakPolarHBondContact CE1-OD1 3.24Å; Y583-D665 PolarHBondContact OH-N 3.27Å; Y583-D665 VanDerWaalsContact OH-N 3.09Å; Y583-D665 PolarHBondContact OH-OD1 2.89Å; Y583-A668 HydrophobicContact CD1-CB 3.37Å; Y583-A668 HydrophobicContact CE1-CB 3.53Å; Y583-A668 HydrophobicContact CG-CB 3.91Å; Y583-L692 WeakPolarHBondContact CD2-O 3.3Å; Y583-L692 HydrophobicContact CE2-CB 4.28Å; Y583-L692 WeakPolarHBondContact CE2-O 3.23Å; Y583-R693 WeakPolarHBondContact CD2-O 3.46Å; Y583-P694 HydrophobicContact CD2-CB 4.33Å; Y583-P694 HydrophobicContact CE2-CB 4.18Å
584	Q	95.7	Very high	89.9	Confident	196 Å²	196	77.9 Å²	77.9	92%	0.916	44%	0.436	S	S	*	.			trans	-83.8	113.2	169.4	-66.2	-176.5	8.2	0	0	109.6
585	H	96.8	Very high	90.5	Very high	61 Å²	61	74.8 Å²	74.8	28%	0.282	42%	0.422	S	S	.	.			trans	-82.9	149.2	-178.7	-61	-48	0	0	0	113.2	Y583 R693 P696 Y1068	Y583-H585 PolarHBondContact O-N 3.4Å; H585-R693 PolarHBondContact CE1-O 3.03Å; H585-P696 HydrophobicContact CB-CB 3.81Å; H585-P696 HydrophobicContact CB-CG 4.04Å; H585-Y1068 WeakPolarHBondContact CB-OH 3.41Å
586	P	93.2	Very high	91	Very high	25 Å²	25	76.5 Å²	76.5	16%	0.162	43%	0.427	C	S	.	.			trans	-54.3	140.8	164.7	-22.2	34	0	0	0	110.7	R671 W1065 Y1068	P586-R671 HydrophobicContact CG-CB 3.98Å; P586-W1065 HydrophobicContact CB-CH2 4.42Å; P586-Y1068 VanDerWaalsContact O-CE1 3.25Å; P586-Y1068 WeakPolarHBondContact O-CE1 3.49Å; P586-Y1068 PolarHBondContact O-OH 3.08Å
587	K	91.2	Very high	91.6	Very high	178 Å²	178	72.8 Å²	72.8	77%	0.774	40%	0.401	S	S	*	.	S	Bend	trans	-109.7	-9.6	176.2	-65	-173.9	178.7	-177.1	0	113.6
588	A	93	Very high	92.5	Very high	56 Å²	56	70.2 Å²	70.2	46%	0.463	39%	0.386	S	S	.	.	S	Bend	trans	-142.9	165.1	179.7	0	0	0	0	0	108	H673 W1065 E1069	A588-H673 PolarHBondContact O-NE2 2.71Å; A588-W1065 VanDerWaalsContact C-CZ2 3.41Å; A588-E1069 WeakPolarHBondContact CA-OE1 3.26Å
589	L	94.1	Very high	93.4	Very high	51 Å²	51	66.7 Å²	66.7	27%	0.267	37%	0.367	S	S	.	.			trans	-56.4	165.8	173.1	-69.3	171.4	0	0	0	111.9	L595 W1065	L589-L595 HydrophobicContact CD2-CB 3.97Å; L589-L595 HydrophobicContact CD2-CD1 3.7Å; L589-L595 HydrophobicContact CD2-CG 4.46Å; L589-W1065 HydrophobicContact CD2-CD2 4.35Å; L589-W1065 HydrophobicContact CD2-CG 4.21Å
590	S	89.8	Confident	94.3	Very high	10 Å²	10	59.9 Å²	59.9	7%	0.07	34%	0.336	C	S	.	.			trans	-59.5	159.8	174.5	65.9	0	0	0	0	111.6	N592 G593 R594	S590-N592 PolarHBondContact O-N 3.32Å; S590-N592 PolarHBondContact OG-OD1 3.27Å; S590-G593 WeakPolarHBondContact O-CA 3.31Å; S590-G593 PolarHBondContact O-N 2.98Å; S590-R594 WeakPolarHBondContact CB-O 3.01Å; S590-R594 PolarHBondContact N-O 2.92Å; S590-R594 PolarHBondContact OG-N 2.88Å; S590-R594 VanDerWaalsContact OG-N 3.13Å; S590-R594 PolarHBondContact OG-O 3.28Å
591	P	86	Confident	94.9	Very high	141 Å²	141	56.2 Å²	56.2	92%	0.916	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-23	-175.5	-28.4	36.1	0	0	0	115.6	G593	P591-G593 VanDerWaalsContact C-N 3.35Å
592	N	90.3	Very high	95.2	Very high	99 Å²	99	53.1 Å²	53.1	53%	0.529	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	10.9	175	64.6	5.8	0	0	0	113.4	S590 R594	S590-N592 PolarHBondContact O-N 3.32Å; S590-N592 PolarHBondContact OG-OD1 3.27Å; N592-R594 VanDerWaalsContact C-N 3.29Å; N592-R594 PolarHBondContact ND2-NE 3.28Å; N592-R594 PolarHBondContact O-N 3.03Å; N592-R594 WeakPolarHBondContact OD1-CB 3.5Å; N592-R594 WeakPolarHBondContact OD1-CG 3.49Å; N592-R594 PolarHBondContact OD1-N 3.12Å
593	G	91.8	Very high	95.4	Very high	41 Å²	41	48.1 Å²	48.1	42%	0.423	26%	0.26	S	S	.	.	S	Bend	trans	77.4	6.8	179.1	0	0	0	0	0	114.7	S590 P591	S590-G593 WeakPolarHBondContact O-CA 3.31Å; S590-G593 PolarHBondContact O-N 2.98Å; P591-G593 VanDerWaalsContact C-N 3.35Å
594	R	98.1	Very high	95.4	Very high	31 Å²	31	46.3 Å²	46.3	12%	0.117	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-87.1	146.2	-179.4	-61.1	-169.6	-54.7	173.8	1.4	112.8	S590 N592 R622 R624 E626 E649	S590-R594 WeakPolarHBondContact CB-O 3.01Å; S590-R594 PolarHBondContact N-O 2.92Å; S590-R594 PolarHBondContact OG-N 2.88Å; S590-R594 VanDerWaalsContact OG-N 3.13Å; S590-R594 PolarHBondContact OG-O 3.28Å; N592-R594 VanDerWaalsContact C-N 3.29Å; N592-R594 PolarHBondContact ND2-NE 3.28Å; N592-R594 PolarHBondContact O-N 3.03Å; N592-R594 WeakPolarHBondContact OD1-CB 3.5Å; N592-R594 WeakPolarHBondContact OD1-CG 3.49Å; N592-R594 PolarHBondContact OD1-N 3.12Å; R594-R622 WeakPolarHBondContact CD-O 3.43Å; R594-R622 PolarHBondContact NH1-O 3.07Å; R594-R624 VanDerWaalsContact CA-O 3.31Å; R594-R624 WeakPolarHBondContact CA-O 3.4Å; R594-E626 HydrophobicContact CB-CB 4.44Å; R594-E626 VanDerWaalsContact NH2-CG 3.33Å; R594-E626 IonicContact NH2-OE1 2.99Å; R594-E626 PolarHBondContact NH2-OE1 3.15Å; R594-E626 IonicContact NH2-OE2 3.21Å; R594-E626 PolarHBondContact NH2-OE2 3.48Å; R594-E649 IonicContact CZ-OE1 3.88Å; R594-E649 VanDerWaalsContact CZ-OE1 3.29Å; R594-E649 IonicContact CZ-OE2 2.8Å; R594-E649 IonicContact NH1-OE1 3.67Å; R594-E649 PolarHBondContact NH1-OE1 3.33Å; R594-E649 IonicContact NH1-OE2 2.82Å; R594-E649 PolarHBondContact NH1-OE2 2.99Å; R594-E649 IonicContact NH2-OE1 3.77Å; R594-E649 PolarHBondContact NH2-OE1 3.43Å; R594-E649 IonicContact NH2-OE2 3.99Å
595	L	98.6	Very high	95.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	119	171.6	-175.2	68.5	0	0	0	110.4	L589 V597 R624 V625 E626 H673 I674 F1062 W1065	L589-L595 HydrophobicContact CD2-CB 3.97Å; L589-L595 HydrophobicContact CD2-CD1 3.7Å; L589-L595 HydrophobicContact CD2-CG 4.46Å; L595-V597 HydrophobicContact CD2-CG2 4.39Å; L595-V597 HydrophobicContact CG-CG2 4.3Å; L595-R624 PolarHBondContact N-O 3.43Å; L595-V625 HydrophobicContact CB-CG1 4.29Å; L595-V625 CarbonylContact O-C 3.56Å; L595-V625 VanDerWaalsContact O-CA 3.24Å; L595-V625 WeakPolarHBondContact O-CA 3.41Å; L595-V625 WeakPolarHBondContact O-CB 3.5Å; L595-E626 PolarHBondContact O-N 2.85Å; L595-H673 HydrophobicContact CD1-CB 3.58Å; L595-I674 HydrophobicContact CD2-CD1 3.94Å; L595-F1062 HydrophobicContact CB-CE1 4.11Å; L595-F1062 HydrophobicContact CB-CZ 4.04Å; L595-F1062 HydrophobicContact CD2-CD1 4.46Å; L595-W1065 HydrophobicContact CD1-CB 3.81Å; L595-W1065 HydrophobicContact CD1-CD2 3.72Å; L595-W1065 HydrophobicContact CD1-CE3 4.03Å; L595-W1065 HydrophobicContact CD1-CG 3.59Å; L595-W1065 HydrophobicContact CD2-CB 4.3Å
596	R	98.6	Very high	95.3	Very high	49 Å²	49	37.5 Å²	37.5	19%	0.185	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	119.8	174.5	-60	175.7	170.1	-178.9	-2.6	111.9	E626 F628 D670 R671 I672 H673 I674	R596-E626 WeakPolarHBondContact CA-O 3.26Å; R596-E626 HydrophobicContact CG-CB 4.03Å; R596-E626 HydrophobicContact CG-CG 4.32Å; R596-E626 WeakPolarHBondContact CG-OE2 3.36Å; R596-E626 IonicContact CZ-OE2 2.73Å; R596-E626 IonicContact NE-OE2 2.57Å; R596-E626 PolarHBondContact NE-OE2 3.23Å; R596-E626 IonicContact NH2-OE2 2.7Å; R596-E626 PolarHBondContact NH2-OE2 3.33Å; R596-F628 HydrophobicContact CB-CE2 4.22Å; R596-F628 HydrophobicContact CG-CE2 4.09Å; R596-D670 WeakPolarHBondContact CD-O 3.33Å; R596-D670 PolarHBondContact NH1-O 2.95Å; R596-R671 WeakPolarHBondContact CD-O 3.49Å; R596-I672 HydrophobicContact CB-CD1 4.23Å; R596-H673 WeakPolarHBondContact CA-ND1 3.5Å; R596-H673 VanDerWaalsContact CB-ND1 3.26Å; R596-H673 WeakPolarHBondContact CB-ND1 3.31Å; R596-H673 PolarHBondContact N-ND1 3.47Å; R596-H673 WeakPolarHBondContact O-CB 3.44Å; R596-H673 PolarHBondContact O-N 3.02Å; R596-I674 PolarHBondContact O-N 3.22Å
597	V	98.8	Very high	95.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	128	178.7	-176.9	0	0	0	0	109.1	L595 Y599 E626 I627 F628 I674 V676 Y1061	L595-V597 HydrophobicContact CD2-CG2 4.39Å; L595-V597 HydrophobicContact CG-CG2 4.3Å; V597-Y599 HydrophobicContact CG1-CE2 4.17Å; V597-E626 PolarHBondContact N-O 3.23Å; V597-I627 HydrophobicContact CB-CD1 3.93Å; V597-I627 HydrophobicContact CG2-CD1 4.49Å; V597-F628 PolarHBondContact O-N 3.29Å; V597-I674 CarbonylContact C-O 3.47Å; V597-I674 WeakPolarHBondContact CA-O 3.48Å; V597-I674 HydrophobicContact CG2-CB 4.47Å; V597-V676 HydrophobicContact CG1-CG2 4Å; V597-Y1061 HydrophobicContact CG1-CD2 4.4Å; V597-Y1061 HydrophobicContact CG1-CE2 3.85Å; V597-Y1061 HydrophobicContact CG2-CD2 3.92Å; V597-Y1061 HydrophobicContact CG2-CE2 4.17Å; V597-Y1061 HydrophobicContact CG2-CG 4.36Å
598	G	98.8	Very high	95.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	119.4	178.7	0	0	0	0	0	111.8	F628 I674 L675 V676	G598-F628 CarbonylContact C-O 3.49Å; G598-F628 WeakPolarHBondContact CA-O 3.41Å; G598-I674 PolarHBondContact N-O 3.09Å; G598-L675 CarbonylContact O-C 3.39Å; G598-L675 WeakPolarHBondContact O-CA 3.31Å; G598-V676 PolarHBondContact O-N 2.88Å
599	Y	98.8	Very high	95.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	122.5	171.4	-65.7	-75.1	0	0	0	110	V597 H620 I627 F628 C629 Y630 V676 M678 W701 M1057 Y1061	V597-Y599 HydrophobicContact CG1-CE2 4.17Å; Y599-H620 AromaticContact CZ-NE2 3.91Å; Y599-H620 PolarHBondContact OH-NE2 3.39Å; Y599-I627 HydrophobicContact CD2-CG2 3.88Å; Y599-I627 HydrophobicContact CE2-CD1 4.25Å; Y599-I627 HydrophobicContact CE2-CG2 3.88Å; Y599-F628 PolarHBondContact N-O 2.91Å; Y599-C629 CarbonylContact O-C 3.57Å; Y599-C629 WeakPolarHBondContact O-CA 3.42Å; Y599-Y630 PolarHBondContact O-N 3.13Å; Y599-V676 HydrophobicContact CD1-CB 3.78Å; Y599-V676 HydrophobicContact CD1-CG1 3.97Å; Y599-V676 HydrophobicContact CD1-CG2 4.12Å; Y599-V676 HydrophobicContact CE1-CB 4.13Å; Y599-V676 HydrophobicContact CE1-CG1 4.16Å; Y599-V676 HydrophobicContact CE1-CG2 4.01Å; Y599-M678 HydrophobicContact CD1-CG 4.38Å; Y599-M678 HydrophobicContact CD1-SD 3.7Å; Y599-M678 HydrophobicContact CG-SD 4.08Å; Y599-W701 HydrophobicContact CD1-CE3 4.21Å; Y599-W701 HydrophobicContact CD1-CZ3 4.03Å; Y599-W701 AromaticContact CE1-CE3 3.86Å; Y599-W701 HydrophobicContact CE1-CE3 3.86Å; Y599-W701 AromaticContact CE1-CZ3 3.62Å; Y599-W701 HydrophobicContact CE1-CZ3 3.62Å; Y599-M1057 WeakPolarHBondContact OH-CE 3.39Å; Y599-Y1061 WeakPolarHBondContact CE1-OH 3.49Å; Y599-Y1061 WeakPolarHBondContact OH-CE2 3.43Å; Y599-Y1061 PolarHBondContact OH-OH 2.93Å
600	V	98.8	Very high	95.8	Very high	1 Å²	1	29 Å²	29	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.5	178.5	-170.2	0	0	0	0	109.1	Y630 L632 I667 L675 V676 M678 F690	V600-Y630 HydrophobicContact CG2-CD2 3.99Å; V600-Y630 HydrophobicContact CG2-CG 4.42Å; V600-L632 HydrophobicContact CG1-CD1 3.81Å; V600-L632 HydrophobicContact CG1-CD2 3.75Å; V600-L632 HydrophobicContact CG1-CG 3.82Å; V600-I667 HydrophobicContact CG2-CD1 4.46Å; V600-L675 HydrophobicContact CG2-CD1 3.49Å; V600-L675 VanDerWaalsContact CG2-CD1 3.49Å; V600-L675 HydrophobicContact CG2-CD2 4.38Å; V600-L675 HydrophobicContact CG2-CG 3.92Å; V600-V676 PolarHBondContact N-O 3.33Å; V600-M678 WeakPolarHBondContact O-CB 3.24Å; V600-M678 PolarHBondContact O-N 2.9Å; V600-M678 VanDerWaalsContact O-N 3.13Å; V600-F690 HydrophobicContact CB-CE2 4.28Å; V600-F690 HydrophobicContact CB-CZ 3.8Å; V600-F690 HydrophobicContact CG1-CE2 4.3Å; V600-F690 HydrophobicContact CG1-CZ 4.3Å; V600-F690 HydrophobicContact CG2-CZ 3.83Å
601	S	98.5	Very high	96.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	143.8	178.5	-164.9	0	0	0	0	113.3	D603 Y630 A631 L632 N679	S601-D603 WeakPolarHBondContact OG-CB 3.32Å; S601-D603 PolarHBondContact OG-N 3.3Å; S601-Y630 PolarHBondContact N-O 3.26Å; S601-Y630 VanDerWaalsContact N-O 3.07Å; S601-A631 WeakPolarHBondContact O-CA 3.25Å; S601-L632 PolarHBondContact O-N 2.94Å; S601-N679 VanDerWaalsContact CA-OD1 3.23Å; S601-N679 WeakPolarHBondContact CA-OD1 3.38Å
602	S	97	Very high	96.7	Very high	14 Å²	14	22.6 Å²	22.6	10%	0.098	13%	0.127	C	C	.	.	S	Bend	trans	-78.1	-4.3	160.8	60.9	0	0	0	0	113.8	S633 N679 K683	S602-S633 VanDerWaalsContact O-CB 3.23Å; S602-S633 WeakPolarHBondContact O-CB 3.47Å; S602-S633 PolarHBondContact O-OG 2.95Å; S602-N679 PolarHBondContact N-OD1 3.15Å; S602-N679 PolarHBondContact OG-ND2 2.91Å; S602-K683 PolarHBondContact OG-O 3.46Å; S602-K683 VanDerWaalsContact OG-O 3.09Å
603	D	97.5	Very high	97	Very high	18 Å²	18	17.9 Å²	17.9	10%	0.096	10%	0.102	C	C	.	.			trans	-115.7	19.4	-162.5	-58.9	-21.2	0	0	0	112.9	S601 G605 H607 T609 S610 N679	S601-D603 WeakPolarHBondContact OG-CB 3.32Å; S601-D603 PolarHBondContact OG-N 3.3Å; D603-G605 PolarHBondContact O-N 3.05Å; D603-H607 HydrophobicContact CB-CB 3.87Å; D603-H607 WeakPolarHBondContact CB-ND1 3.44Å; D603-H607 IonicContact OD2-CE1 2.74Å; D603-H607 PolarHBondContact OD2-CE1 3.04Å; D603-H607 IonicContact OD2-ND1 3.92Å; D603-H607 PolarHBondContact OD2-ND1 3.5Å; D603-H607 IonicContact OD2-NE2 3.71Å; D603-T609 HydrophobicContact CB-CG2 4.35Å; D603-T609 PolarHBondContact OD2-OG1 3.43Å; D603-S610 PolarHBondContact O-OG 3.1Å; D603-N679 PolarHBondContact OD2-ND2 2.84Å; D603-N679 VanDerWaalsContact OD2-ND2 3.13Å
604	F	97.1	Very high	97.2	Very high	1 Å²	1	16.8 Å²	16.8	0%	0.004	9%	0.086	C	C	.	.	S	Bend	trans	-73.7	65.2	170.1	-62.1	-38.3	0	0	0	111.3	C629 A631 R641 V644 F651 M678	F604-C629 HydrophobicContact CE2-CB 3.92Å; F604-C629 HydrophobicContact CZ-CB 4.17Å; F604-A631 HydrophobicContact CD2-CB 4.07Å; F604-R641 WeakPolarHBondContact O-CB 3.5Å; F604-R641 WeakPolarHBondContact O-CD 3.43Å; F604-R641 PolarHBondContact O-NH1 3.36Å; F604-V644 HydrophobicContact CB-CG1 4.48Å; F604-V644 HydrophobicContact CD1-CG1 3.94Å; F604-V644 HydrophobicContact CD1-CG2 4.44Å; F604-V644 HydrophobicContact CE1-CG1 4.27Å; F604-V644 HydrophobicContact CG-CG1 4.09Å; F604-F651 HydrophobicContact CD2-CE2 4.08Å; F604-F651 HydrophobicContact CD2-CZ 4.39Å; F604-M678 HydrophobicContact CE1-CE 4.29Å; F604-M678 HydrophobicContact CE1-SD 4.05Å; F604-M678 HydrophobicContact CZ-SD 4.16Å
605	G	95.4	Very high	97.2	Very high	5 Å²	5	15.5 Å²	15.5	5%	0.052	8%	0.082	C	C	.	.	S	Bend	trans	-163.2	-154.8	178.6	0	0	0	0	0	110.6	D603 H607 S610 D636 F640	D603-G605 PolarHBondContact O-N 3.05Å; G605-H607 PolarHBondContact O-N 3.27Å; G605-S610 PolarHBondContact N-OG 3.02Å; G605-S610 WeakPolarHBondContact O-CB 3.14Å; G605-S610 PolarHBondContact O-OG 2.98Å; G605-D636 WeakPolarHBondContact CA-OD2 3.29Å; G605-F640 WeakPolarHBondContact O-CB 3.33Å
606	N	95.1	Very high	97.2	Very high	68 Å²	68	15.5 Å²	15.5	36%	0.364	8%	0.082	S	C	.	.	S	Bend	trans	-73.3	76.8	173.8	-173	11.6	0	0	0	111.7	H611 D636 T638 F640	N606-H611 PolarHBondContact OD1-CE1 3.26Å; N606-H611 PolarHBondContact OD1-NE2 3.32Å; N606-D636 PolarHBondContact N-OD2 3.02Å; N606-T638 HydrophobicContact CB-CG2 3.9Å; N606-F640 HydrophobicContact CB-CD2 3.73Å; N606-F640 HydrophobicContact CB-CE2 3.94Å; N606-F640 WeakPolarHBondContact OD1-CE2 3.44Å
607	H	95.1	Very high	97.1	Very high	71 Å²	71	13.3 Å²	13.3	33%	0.329	7%	0.074	S	C	.	.	S	Bend	trans	-137.7	151.5	-180	-169.4	-98.1	0	0	0	110	D603 G605 T609 S610 H611	D603-H607 HydrophobicContact CB-CB 3.87Å; D603-H607 WeakPolarHBondContact CB-ND1 3.44Å; D603-H607 IonicContact OD2-CE1 2.74Å; D603-H607 PolarHBondContact OD2-CE1 3.04Å; D603-H607 IonicContact OD2-ND1 3.92Å; D603-H607 PolarHBondContact OD2-ND1 3.5Å; D603-H607 IonicContact OD2-NE2 3.71Å; G605-H607 PolarHBondContact O-N 3.27Å; H607-T609 PolarHBondContact ND1-N 3.37Å; H607-T609 PolarHBondContact ND1-OG1 2.93Å; H607-T609 PolarHBondContact O-N 3.14Å; H607-S610 PolarHBondContact O-N 2.99Å; H607-H611 PolarHBondContact O-CD2 3.19Å; H607-H611 PolarHBondContact O-N 3.49Å; H607-H611 VanDerWaalsContact O-N 3.1Å
608	P	95.3	Very high	97	Very high	55 Å²	55	14.7 Å²	14.7	36%	0.357	9%	0.088	S	C	.	.	H	α-helix	trans	-45.9	-34.4	173.2	-34.3	37.6	0	0	0	115.1	H611 L612 T972	P608-H611 PolarHBondContact O-N 3.31Å; P608-L612 WeakPolarHBondContact O-CD1 3.39Å; P608-L612 VanDerWaalsContact O-CG 3.26Å; P608-L612 WeakPolarHBondContact O-CG 3.38Å; P608-L612 PolarHBondContact O-N 3.4Å; P608-T972 HydrophobicContact CB-CG2 4.06Å; P608-T972 WeakPolarHBondContact CB-OG1 3.34Å
609	T	95.6	Very high	96.9	Very high	6 Å²	6	17.9 Å²	17.9	4%	0.037	10%	0.103	C	C	.	.	H	α-helix	trans	-55.7	-59.9	173.8	-51.6	0	0	0	0	111	D603 H607 H611 L612 M613 M678 L702	D603-T609 HydrophobicContact CB-CG2 4.35Å; D603-T609 PolarHBondContact OD2-OG1 3.43Å; H607-T609 PolarHBondContact ND1-N 3.37Å; H607-T609 PolarHBondContact ND1-OG1 2.93Å; H607-T609 PolarHBondContact O-N 3.14Å; T609-H611 VanDerWaalsContact C-N 3.28Å; T609-H611 PolarHBondContact O-N 3.4Å; T609-L612 PolarHBondContact O-N 3.4Å; T609-M613 HydrophobicContact CG2-CG 4.36Å; T609-M613 WeakPolarHBondContact O-CG 3.22Å; T609-M613 PolarHBondContact O-N 3Å; T609-M613 VanDerWaalsContact O-N 3.17Å; T609-M678 HydrophobicContact CG2-CE 3.51Å; T609-L702 HydrophobicContact CG2-CD2 4.41Å
610	S	96.7	Very high	96.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.1	-34.6	177.8	-59.5	0	0	0	0	113.1	D603 G605 H607 L612 M613 Q614	D603-S610 PolarHBondContact O-OG 3.1Å; G605-S610 PolarHBondContact N-OG 3.02Å; G605-S610 WeakPolarHBondContact O-CB 3.14Å; G605-S610 PolarHBondContact O-OG 2.98Å; H607-S610 PolarHBondContact O-N 2.99Å; S610-L612 PolarHBondContact O-N 3.35Å; S610-M613 PolarHBondContact O-N 3.28Å; S610-Q614 VanDerWaalsContact O-CB 3.23Å; S610-Q614 WeakPolarHBondContact O-CB 3.43Å; S610-Q614 WeakPolarHBondContact O-CG 3.49Å; S610-Q614 PolarHBondContact O-N 3.29Å
611	H	96.3	Very high	96.9	Very high	11 Å²	11	21.6 Å²	21.6	5%	0.051	12%	0.123	C	C	.	.	H	α-helix	trans	-61.8	-25.9	176.4	-57.1	166.8	0	0	0	112.6	N606 H607 P608 T609 F640 M750 K949	N606-H611 PolarHBondContact OD1-CE1 3.26Å; N606-H611 PolarHBondContact OD1-NE2 3.32Å; H607-H611 PolarHBondContact O-CD2 3.19Å; H607-H611 PolarHBondContact O-N 3.49Å; H607-H611 VanDerWaalsContact O-N 3.1Å; P608-H611 PolarHBondContact O-N 3.31Å; T609-H611 VanDerWaalsContact C-N 3.28Å; T609-H611 PolarHBondContact O-N 3.4Å; H611-F640 AromaticContact CD2-CE1 3.95Å; H611-F640 AromaticContact CD2-CZ 3.72Å; H611-F640 AromaticContact NE2-CE2 3.75Å; H611-F640 AromaticContact NE2-CZ 3.77Å; H611-M750 HydrophobicContact CB-CE 4.09Å; H611-M750 HydrophobicContact CB-SD 4.16Å; H611-K949 WeakPolarHBondContact ND1-CD 3.47Å; H611-K949 VanDerWaalsContact ND1-CE 3.33Å; H611-K949 WeakPolarHBondContact ND1-CE 3.36Å; H611-K949 PolarHBondContact ND1-NZ 3.11Å
612	L	97.6	Very high	96.8	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.021	15%	0.145	C	C	.	.	H	α-helix	trans	-91.4	-30.1	-180	-69.1	168	0	0	0	113.2	P608 T609 S610 L702 F743 I744 G745 D746 T972 M975	P608-L612 WeakPolarHBondContact O-CD1 3.39Å; P608-L612 VanDerWaalsContact O-CG 3.26Å; P608-L612 WeakPolarHBondContact O-CG 3.38Å; P608-L612 PolarHBondContact O-N 3.4Å; T609-L612 PolarHBondContact O-N 3.4Å; S610-L612 PolarHBondContact O-N 3.35Å; L612-L702 HydrophobicContact CB-CD2 4.39Å; L612-L702 HydrophobicContact CD1-CD1 4.26Å; L612-F743 HydrophobicContact CD1-CE1 3.6Å; L612-F743 HydrophobicContact CD1-CE2 4.16Å; L612-F743 HydrophobicContact CD1-CZ 3.33Å; L612-F743 HydrophobicContact CD2-CD1 4.42Å; L612-F743 HydrophobicContact CD2-CE1 3.74Å; L612-F743 HydrophobicContact CD2-CZ 4.36Å; L612-F743 HydrophobicContact CG-CE1 4.34Å; L612-F743 HydrophobicContact CG-CZ 4.5Å; L612-I744 WeakPolarHBondContact CB-O 3.46Å; L612-I744 VanDerWaalsContact CD2-O 3.31Å; L612-I744 WeakPolarHBondContact CD2-O 3.43Å; L612-G745 CarbonylContact O-C 3.37Å; L612-G745 WeakPolarHBondContact O-CA 3.29Å; L612-D746 PolarHBondContact O-N 3.16Å; L612-T972 HydrophobicContact CD1-CG2 4.46Å; L612-T972 WeakPolarHBondContact CD1-OG1 3.15Å; L612-T972 HydrophobicContact CD2-CG2 4.2Å; L612-T972 HydrophobicContact CG-CG2 4.18Å; L612-M975 HydrophobicContact CD2-CB 4.13Å; L612-M975 HydrophobicContact CD2-CG 3.84Å
613	M	96.6	Very high	96.7	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-140.6	5.6	-165.3	70.3	75.2	73.9	0	0	117	T609 S610 S615 V616 P617 M678 W701 L702 I744	T609-M613 HydrophobicContact CG2-CG 4.36Å; T609-M613 WeakPolarHBondContact O-CG 3.22Å; T609-M613 PolarHBondContact O-N 3Å; T609-M613 VanDerWaalsContact O-N 3.17Å; S610-M613 PolarHBondContact O-N 3.28Å; M613-S615 PolarHBondContact O-N 2.98Å; M613-V616 HydrophobicContact CB-CB 4.24Å; M613-V616 HydrophobicContact CB-CG2 3.83Å; M613-V616 HydrophobicContact CE-CB 4.21Å; M613-V616 HydrophobicContact CE-CG1 4.41Å; M613-V616 VanDerWaalsContact O-CB 3.27Å; M613-V616 WeakPolarHBondContact O-CB 3.4Å; M613-V616 PolarHBondContact O-N 3.19Å; M613-P617 HydrophobicContact CE-CG 4.08Å; M613-P617 WeakPolarHBondContact O-CD 3.32Å; M613-M678 HydrophobicContact CE-CE 3.32Å; M613-M678 HydrophobicContact CE-SD 3.94Å; M613-M678 HydrophobicContact CG-CE 3.85Å; M613-M678 HydrophobicContact SD-CE 3.62Å; M613-W701 HydrophobicContact CB-CH2 4.09Å; M613-W701 HydrophobicContact CE-CH2 3.99Å; M613-W701 HydrophobicContact CE-CZ3 3.72Å; M613-W701 HydrophobicContact CG-CH2 4.4Å; M613-L702 HydrophobicContact CB-CD2 3.83Å; M613-L702 HydrophobicContact CG-CD2 3.51Å; M613-I744 HydrophobicContact CB-CG2 4.36Å
614	Q	96.9	Very high	96.7	Very high	18 Å²	18	34 Å²	34	8%	0.084	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-26.9	-173.8	62.1	-178.8	-63.8	0	0	114.7	S610 F640 K643 V644 D746 M750	S610-Q614 VanDerWaalsContact O-CB 3.23Å; S610-Q614 WeakPolarHBondContact O-CB 3.43Å; S610-Q614 WeakPolarHBondContact O-CG 3.49Å; S610-Q614 PolarHBondContact O-N 3.29Å; Q614-F640 VanDerWaalsContact NE2-CD1 3.28Å; Q614-K643 HydrophobicContact CB-CG 4.44Å; Q614-K643 HydrophobicContact CG-CG 4.41Å; Q614-V644 HydrophobicContact CB-CG2 3.94Å; Q614-D746 WeakPolarHBondContact CG-OD2 3.43Å; Q614-M750 PolarHBondContact NE2-SD 3.49Å
615	S	98	Very high	96.8	Very high	5 Å²	5	33.9 Å²	33.9	4%	0.035	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-20	175.1	-62.1	0	0	0	0	115	M613 G618 M619 D746	M613-S615 PolarHBondContact O-N 2.98Å; S615-G618 PolarHBondContact O-N 3.26Å; S615-M619 WeakPolarHBondContact O-CB 3.26Å; S615-M619 WeakPolarHBondContact O-CG 3.46Å; S615-M619 PolarHBondContact O-N 3.48Å; S615-D746 VanDerWaalsContact CB-OD1 3.27Å; S615-D746 WeakPolarHBondContact CB-OD1 3.47Å; S615-D746 WeakPolarHBondContact CB-OD2 3.45Å; S615-D746 PolarHBondContact N-OD2 2.62Å; S615-D746 VanDerWaalsContact OG-CG 3.25Å; S615-D746 PolarHBondContact OG-OD1 3.2Å; S615-D746 PolarHBondContact OG-OD2 3.43Å
616	V	98.3	Very high	96.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-54.7	-49.1	-176.5	167.5	0	0	0	0	112.3	M613 G618 M619 H620 W701 I744 V1050 Y1053 C1054 M1057	M613-V616 HydrophobicContact CB-CB 4.24Å; M613-V616 HydrophobicContact CB-CG2 3.83Å; M613-V616 HydrophobicContact CE-CB 4.21Å; M613-V616 HydrophobicContact CE-CG1 4.41Å; M613-V616 VanDerWaalsContact O-CB 3.27Å; M613-V616 WeakPolarHBondContact O-CB 3.4Å; M613-V616 PolarHBondContact O-N 3.19Å; V616-G618 PolarHBondContact O-N 3.29Å; V616-G618 VanDerWaalsContact O-N 3.14Å; V616-M619 PolarHBondContact O-N 2.89Å; V616-H620 PolarHBondContact O-CD2 3.42Å; V616-H620 VanDerWaalsContact O-CD2 3.25Å; V616-W701 HydrophobicContact CG1-CH2 4.13Å; V616-W701 HydrophobicContact CG2-CH2 4.44Å; V616-I744 HydrophobicContact CG2-CG2 4.4Å; V616-V1050 HydrophobicContact CB-CG1 4.44Å; V616-V1050 HydrophobicContact CG2-CG1 3.64Å; V616-Y1053 HydrophobicContact CG2-CD1 4.47Å; V616-C1054 PolarHBondContact O-SG 3.31Å; V616-M1057 HydrophobicContact CG1-CE 3.5Å
617	P	96.6	Very high	97.1	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.019	16%	0.163	C	C	.	.	H	α-helix	trans	-58.7	-29.6	179	-26.3	36.9	0	0	0	114	M613 I627 V644	M613-P617 HydrophobicContact CE-CG 4.08Å; M613-P617 WeakPolarHBondContact O-CD 3.32Å; P617-I627 HydrophobicContact CB-CG2 4.01Å; P617-V644 HydrophobicContact CG-CG1 4.41Å
618	G	96.9	Very high	97.3	Very high	28 Å²	28	28.2 Å²	28.2	29%	0.289	15%	0.149	S	C	.	.	H	α-helix	trans	-91.6	-16.8	-178.9	0	0	0	0	0	115.4	S615 V616 T647	S615-G618 PolarHBondContact O-N 3.26Å; V616-G618 PolarHBondContact O-N 3.29Å; V616-G618 VanDerWaalsContact O-N 3.14Å; G618-T647 WeakPolarHBondContact CA-O 3.34Å
619	M	97.8	Very high	97.4	Very high	67 Å²	67	25.6 Å²	25.6	33%	0.33	13%	0.132	S	C	.	.	H	α-helix	trans	-98.6	-3.8	-175.5	-74	-169.2	-180	0	0	114.3	S615 V616 Q749 V1050	S615-M619 WeakPolarHBondContact O-CB 3.26Å; S615-M619 WeakPolarHBondContact O-CG 3.46Å; S615-M619 PolarHBondContact O-N 3.48Å; V616-M619 PolarHBondContact O-N 2.89Å; M619-Q749 HydrophobicContact CE-CG 3.98Å; M619-V1050 HydrophobicContact CB-CG1 4.32Å; M619-V1050 HydrophobicContact CG-CG1 4.4Å; M619-V1050 HydrophobicContact SD-CB 3.66Å; M619-V1050 HydrophobicContact SD-CG1 3.53Å; M619-V1050 VanDerWaalsContact SD-CG1 3.53Å
620	H	98.3	Very high	97.6	Very high	9 Å²	9	25.3 Å²	25.3	4%	0.042	13%	0.13	C	C	.	.	S	Bend	trans	-60.7	146.5	168.9	-84	-59.4	0	0	0	113.1	Y599 V616 R622 V625 I627 M1057 E1058	Y599-H620 AromaticContact CZ-NE2 3.91Å; Y599-H620 PolarHBondContact OH-NE2 3.39Å; V616-H620 PolarHBondContact O-CD2 3.42Å; V616-H620 VanDerWaalsContact O-CD2 3.25Å; H620-R622 PolarHBondContact O-N 3.43Å; H620-R622 VanDerWaalsContact O-N 3.07Å; H620-V625 HydrophobicContact CB-CG2 3.55Å; H620-I627 HydrophobicContact CB-CD1 4.23Å; H620-I627 HydrophobicContact CB-CG1 3.92Å; H620-I627 VanDerWaalsContact CD2-CD1 3.49Å; H620-I627 WeakPolarHBondContact CD2-CD1 3.28Å; H620-M1057 WeakPolarHBondContact CE1-CE 3.27Å; H620-M1057 VanDerWaalsContact NE2-CE 3.27Å; H620-M1057 WeakPolarHBondContact NE2-CE 3.45Å; H620-E1058 VanDerWaalsContact CA-OE1 3.28Å; H620-E1058 WeakPolarHBondContact CA-OE1 3.41Å; H620-E1058 IonicContact CG-OE1 3.57Å; H620-E1058 WeakPolarHBondContact ND1-CG 3.34Å; H620-E1058 IonicContact ND1-OE1 2.73Å; H620-E1058 PolarHBondContact ND1-OE1 2.71Å
621	D	98	Very high	97.7	Very high	71 Å²	71	25.3 Å²	25.3	38%	0.38	13%	0.13	S	C	.	.			trans	-71.8	100.6	172.1	-176.8	-6.3	0	0	0	110.4	S623 R624 V625 E1058	D621-S623 PolarHBondContact O-N 3.47Å; D621-S623 VanDerWaalsContact OD1-CB 3.31Å; D621-S623 WeakPolarHBondContact OD1-CB 3.44Å; D621-S623 PolarHBondContact OD1-N 3.45Å; D621-S623 PolarHBondContact OD1-OG 3.41Å; D621-S623 PolarHBondContact OD2-OG 2.87Å; D621-R624 HydrophobicContact CB-CG 4.39Å; D621-R624 PolarHBondContact O-N 3.26Å; D621-R624 WeakPolarHBondContact OD2-CD 3.46Å; D621-V625 PolarHBondContact O-N 2.91Å; D621-E1058 PolarHBondContact N-OE1 3Å
622	R	96	Very high	97.7	Very high	124 Å²	124	25.6 Å²	25.6	47%	0.468	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-14.1	-178.8	-64.7	-175.7	176.8	-167.2	-4.8	114.5	R594 H620 R624 V625 T647	R594-R622 WeakPolarHBondContact CD-O 3.43Å; R594-R622 PolarHBondContact NH1-O 3.07Å; H620-R622 PolarHBondContact O-N 3.43Å; H620-R622 VanDerWaalsContact O-N 3.07Å; R622-R624 VanDerWaalsContact C-N 3.31Å; R622-V625 WeakPolarHBondContact CA-O 3.44Å; R622-T647 PolarHBondContact NH2-O 3.1Å
623	S	96.7	Very high	97.6	Very high	86 Å²	86	27.1 Å²	27.1	60%	0.601	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-21.5	172.6	75.4	0	0	0	0	112.5	D621	D621-S623 PolarHBondContact O-N 3.47Å; D621-S623 VanDerWaalsContact OD1-CB 3.31Å; D621-S623 WeakPolarHBondContact OD1-CB 3.44Å; D621-S623 PolarHBondContact OD1-N 3.45Å; D621-S623 PolarHBondContact OD1-OG 3.41Å; D621-S623 PolarHBondContact OD2-OG 2.87Å
624	R	97.6	Very high	97.5	Very high	81 Å²	81	29.9 Å²	29.9	31%	0.306	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-37.6	-176.6	-60.3	179.7	66.6	-151.2	3.8	112.7	R594 L595 D621 R622 E1058 F1062	R594-R624 VanDerWaalsContact CA-O 3.31Å; R594-R624 WeakPolarHBondContact CA-O 3.4Å; L595-R624 PolarHBondContact N-O 3.43Å; D621-R624 HydrophobicContact CB-CG 4.39Å; D621-R624 PolarHBondContact O-N 3.26Å; D621-R624 WeakPolarHBondContact OD2-CD 3.46Å; R622-R624 VanDerWaalsContact C-N 3.31Å; R624-E1058 IonicContact CZ-OE2 3.26Å; R624-E1058 IonicContact NH1-OE2 3.53Å; R624-E1058 PolarHBondContact NH1-OE2 3.08Å; R624-F1062 HydrophobicContact CB-CE2 4.09Å; R624-F1062 HydrophobicContact CB-CZ 4.23Å; R624-F1062 VanDerWaalsContact NH2-CD2 3.32Å
625	V	98	Very high	97.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	151.7	-176.3	-57.1	0	0	0	0	111.9	L595 H620 D621 R622 I627 E1058 F1062	L595-V625 HydrophobicContact CB-CG1 4.29Å; L595-V625 CarbonylContact O-C 3.56Å; L595-V625 VanDerWaalsContact O-CA 3.24Å; L595-V625 WeakPolarHBondContact O-CA 3.41Å; L595-V625 WeakPolarHBondContact O-CB 3.5Å; H620-V625 HydrophobicContact CB-CG2 3.55Å; D621-V625 PolarHBondContact O-N 2.91Å; R622-V625 WeakPolarHBondContact CA-O 3.44Å; V625-I627 HydrophobicContact CB-CD1 4.2Å; V625-I627 HydrophobicContact CG2-CD1 3.79Å; V625-I627 HydrophobicContact CG2-CG1 4.18Å; V625-E1058 HydrophobicContact CG1-CG 3.98Å; V625-E1058 HydrophobicContact CG2-CG 4.34Å; V625-F1062 HydrophobicContact CG1-CE2 4.12Å
626	E	98.1	Very high	97.4	Very high	12 Å²	12	35.3 Å²	35.3	6%	0.056	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	116.1	175.5	-179.8	176.4	-164.7	0	0	108	R594 L595 R596 V597 F628 H650	R594-E626 HydrophobicContact CB-CB 4.44Å; R594-E626 VanDerWaalsContact NH2-CG 3.33Å; R594-E626 IonicContact NH2-OE1 2.99Å; R594-E626 PolarHBondContact NH2-OE1 3.15Å; R594-E626 IonicContact NH2-OE2 3.21Å; R594-E626 PolarHBondContact NH2-OE2 3.48Å; L595-E626 PolarHBondContact O-N 2.85Å; R596-E626 WeakPolarHBondContact CA-O 3.26Å; R596-E626 HydrophobicContact CG-CB 4.03Å; R596-E626 HydrophobicContact CG-CG 4.32Å; R596-E626 WeakPolarHBondContact CG-OE2 3.36Å; R596-E626 IonicContact CZ-OE2 2.73Å; R596-E626 IonicContact NE-OE2 2.57Å; R596-E626 PolarHBondContact NE-OE2 3.23Å; R596-E626 IonicContact NH2-OE2 2.7Å; R596-E626 PolarHBondContact NH2-OE2 3.33Å; V597-E626 PolarHBondContact N-O 3.23Å; E626-F628 HydrophobicContact CG-CD2 4.45Å; E626-F628 HydrophobicContact CG-CE2 3.68Å; E626-F628 HydrophobicContact CG-CZ 4.34Å; E626-H650 IonicContact OE1-CD2 2.71Å; E626-H650 IonicContact OE1-CE1 2.77Å; E626-H650 IonicContact OE1-NE2 3.06Å; E626-H650 PolarHBondContact OE1-NE2 3.39Å
627	I	98.3	Very high	97.3	Very high	4 Å²	4	41 Å²	41	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.9	-167.8	-57.9	-56.1	0	0	0	111.9	V597 Y599 P617 H620 V625 E649 H650	V597-I627 HydrophobicContact CB-CD1 3.93Å; V597-I627 HydrophobicContact CG2-CD1 4.49Å; Y599-I627 HydrophobicContact CD2-CG2 3.88Å; Y599-I627 HydrophobicContact CE2-CD1 4.25Å; Y599-I627 HydrophobicContact CE2-CG2 3.88Å; P617-I627 HydrophobicContact CB-CG2 4.01Å; H620-I627 HydrophobicContact CB-CD1 4.23Å; H620-I627 HydrophobicContact CB-CG1 3.92Å; H620-I627 VanDerWaalsContact CD2-CD1 3.49Å; H620-I627 WeakPolarHBondContact CD2-CD1 3.28Å; V625-I627 HydrophobicContact CB-CD1 4.2Å; V625-I627 HydrophobicContact CG2-CD1 3.79Å; V625-I627 HydrophobicContact CG2-CG1 4.18Å; I627-E649 PolarHBondContact O-N 3.43Å; I627-H650 PolarHBondContact O-N 3.33Å
628	F	98.8	Very high	97.3	Very high	8 Å²	8	41.5 Å²	41.5	4%	0.035	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139.8	172	-66.5	-106.2	0	0	0	109.9	R596 V597 G598 Y599 E626 Y630 H650 D670 I672	R596-F628 HydrophobicContact CB-CE2 4.22Å; R596-F628 HydrophobicContact CG-CE2 4.09Å; V597-F628 PolarHBondContact O-N 3.29Å; G598-F628 CarbonylContact C-O 3.49Å; G598-F628 WeakPolarHBondContact CA-O 3.41Å; Y599-F628 PolarHBondContact N-O 2.91Å; E626-F628 HydrophobicContact CG-CD2 4.45Å; E626-F628 HydrophobicContact CG-CE2 3.68Å; E626-F628 HydrophobicContact CG-CZ 4.34Å; F628-Y630 HydrophobicContact CB-CD2 4.48Å; F628-Y630 HydrophobicContact CB-CE2 3.68Å; F628-H650 CarbonylContact C-O 3.6Å; F628-H650 WeakPolarHBondContact CA-O 3.07Å; F628-H650 HydrophobicContact CB-CB 4.5Å; F628-H650 HydrophobicContact CD1-CB 3.39Å; F628-H650 AromaticContact CD1-CD2 3.93Å; F628-H650 AromaticContact CD1-CG 3.8Å; F628-H650 HydrophobicContact CE1-CB 3.61Å; F628-H650 AromaticContact CE1-CD2 3.48Å; F628-H650 VanDerWaalsContact CE1-CD2 3.48Å; F628-H650 WeakPolarHBondContact CE1-CD2 3.41Å; F628-H650 AromaticContact CE1-CG 3.47Å; F628-H650 VanDerWaalsContact CE1-CG 3.47Å; F628-H650 AromaticContact CE2-CD2 3.6Å; F628-H650 HydrophobicContact CG-CB 3.93Å; F628-H650 HydrophobicContact CZ-CB 4.33Å; F628-H650 AromaticContact CZ-CD2 3.29Å; F628-H650 WeakPolarHBondContact CZ-CD2 3.41Å; F628-H650 AromaticContact CZ-CG 3.8Å; F628-H650 AromaticContact CZ-NE2 3.67Å; F628-D670 HydrophobicContact CD1-CB 4.24Å; F628-D670 HydrophobicContact CE1-CB 3.92Å; F628-D670 HydrophobicContact CZ-CB 4.39Å; F628-I672 HydrophobicContact CB-CD1 3.96Å; F628-I672 HydrophobicContact CD1-CD1 4.2Å; F628-I672 HydrophobicContact CD2-CD1 3.43Å; F628-I672 VanDerWaalsContact CD2-CD1 3.43Å; F628-I672 HydrophobicContact CE2-CD1 3.92Å; F628-I672 HydrophobicContact CG-CD1 3.6Å
629	C	98.9	Very high	97.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.8	171.2	-73.4	0	0	0	0	109.4	Y599 F604 V644 H650 F651 V652	Y599-C629 CarbonylContact O-C 3.57Å; Y599-C629 WeakPolarHBondContact O-CA 3.42Å; F604-C629 HydrophobicContact CE2-CB 3.92Å; F604-C629 HydrophobicContact CZ-CB 4.17Å; C629-V644 HydrophobicContact CB-CG1 4.33Å; C629-H650 PolarHBondContact N-O 3.45Å; C629-F651 HydrophobicContact CB-CD2 3.64Å; C629-F651 HydrophobicContact CB-CE2 3.97Å; C629-V652 PolarHBondContact O-N 3.08Å
630	Y	98.8	Very high	97.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	106.3	-179.7	-60.4	-82.3	0	0	0	109.7	Y599 V600 S601 F628 V652 L654 I667 D670 I672 L675	Y599-Y630 PolarHBondContact O-N 3.13Å; V600-Y630 HydrophobicContact CG2-CD2 3.99Å; V600-Y630 HydrophobicContact CG2-CG 4.42Å; S601-Y630 PolarHBondContact N-O 3.26Å; S601-Y630 VanDerWaalsContact N-O 3.07Å; F628-Y630 HydrophobicContact CB-CD2 4.48Å; F628-Y630 HydrophobicContact CB-CE2 3.68Å; Y630-V652 CarbonylContact C-O 3.23Å; Y630-V652 WeakPolarHBondContact CA-O 3.35Å; Y630-V652 HydrophobicContact CD1-CB 3.61Å; Y630-V652 HydrophobicContact CD1-CG1 3.94Å; Y630-V652 HydrophobicContact CD1-CG2 4.1Å; Y630-V652 HydrophobicContact CE1-CB 3.85Å; Y630-V652 HydrophobicContact CE1-CG1 4.15Å; Y630-V652 HydrophobicContact CE1-CG2 3.83Å; Y630-L654 HydrophobicContact CD1-CD1 3.92Å; Y630-L654 HydrophobicContact CD1-CG 4.42Å; Y630-L654 HydrophobicContact CG-CD1 4.33Å; Y630-I667 HydrophobicContact CD1-CG1 3.88Å; Y630-I667 HydrophobicContact CD2-CG1 4.31Å; Y630-I667 HydrophobicContact CE1-CG1 3.72Å; Y630-I667 HydrophobicContact CE2-CG1 4.14Å; Y630-I667 HydrophobicContact CG-CD1 4.48Å; Y630-I667 HydrophobicContact CG-CG1 4.18Å; Y630-D670 WeakPolarHBondContact CE1-OD2 3.35Å; Y630-D670 VanDerWaalsContact OH-CB 3.32Å; Y630-D670 WeakPolarHBondContact OH-CB 3.41Å; Y630-D670 PolarHBondContact OH-OD2 3.31Å; Y630-I672 HydrophobicContact CE2-CD1 4.36Å; Y630-I672 HydrophobicContact CE2-CG1 4.2Å; Y630-I672 WeakPolarHBondContact OH-CD1 3.38Å; Y630-I672 WeakPolarHBondContact OH-CG1 3.35Å; Y630-L675 HydrophobicContact CD2-CD1 4.42Å; Y630-L675 HydrophobicContact CE2-CD1 4.32Å
631	A	98.6	Very high	97.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	124.5	178.5	0	0	0	0	0	111.3	S601 F604 R641 F651 V652 L654 S655	S601-A631 WeakPolarHBondContact O-CA 3.25Å; F604-A631 HydrophobicContact CD2-CB 4.07Å; A631-R641 VanDerWaalsContact CB-NH1 3.28Å; A631-F651 HydrophobicContact CB-CE1 4.04Å; A631-F651 HydrophobicContact CB-CZ 3.66Å; A631-V652 PolarHBondContact N-O 3.3Å; A631-L654 CarbonylContact O-C 3.59Å; A631-L654 WeakPolarHBondContact O-CA 3.36Å; A631-L654 WeakPolarHBondContact O-CB 3.39Å; A631-L654 PolarHBondContact O-N 3.16Å; A631-S655 PolarHBondContact O-N 2.86Å
632	L	97.3	Very high	97.2	Very high	17 Å²	17	39.1 Å²	39.1	9%	0.089	21%	0.208	C	C	.	.	S	Bend	trans	-90.4	-12	175.9	-55.2	-178.2	0	0	0	112.8	V600 S601 L654 G684 R686 I689	V600-L632 HydrophobicContact CG1-CD1 3.81Å; V600-L632 HydrophobicContact CG1-CD2 3.75Å; V600-L632 HydrophobicContact CG1-CG 3.82Å; S601-L632 PolarHBondContact O-N 2.94Å; L632-L654 HydrophobicContact CD2-CB 4.33Å; L632-L654 HydrophobicContact CD2-CD1 4.41Å; L632-G684 VanDerWaalsContact CD1-O 3.25Å; L632-G684 WeakPolarHBondContact CD1-O 3.29Å; L632-R686 HydrophobicContact CD1-CB 4.05Å; L632-R686 HydrophobicContact CD1-CG 4.22Å; L632-I689 HydrophobicContact CD2-CD1 3.96Å
633	S	95.2	Very high	97.2	Very high	37 Å²	37	37.2 Å²	37.2	26%	0.259	20%	0.203	S	C	.	.	S	Bend	trans	-116.2	153.4	178.7	61.3	0	0	0	0	111.6	S602 R641	S602-S633 VanDerWaalsContact O-CB 3.23Å; S602-S633 WeakPolarHBondContact O-CB 3.47Å; S602-S633 PolarHBondContact O-OG 2.95Å; S633-R641 PolarHBondContact O-NH1 3.1Å; S633-R641 PolarHBondContact O-NH2 3.36Å
634	A	94.6	Very high	97.3	Very high	57 Å²	57	33.1 Å²	33.1	47%	0.471	17%	0.174	S	C	.	.			trans	-63.4	155.5	176.7	0	0	0	0	0	110.8	D636 S655	A634-D636 PolarHBondContact O-N 3.35Å; A634-S655 VanDerWaalsContact N-CB 3.32Å
635	D	96.9	Very high	97.3	Very high	69 Å²	69	31.2 Å²	31.2	37%	0.369	17%	0.173	S	C	.	.			trans	-59.7	122	174.2	-163	-30.1	0	0	0	110.7	N637 R641	D635-N637 VanDerWaalsContact OD1-CA 3.29Å; D635-N637 WeakPolarHBondContact OD1-CA 3.29Å; D635-N637 PolarHBondContact OD1-N 3.33Å; D635-R641 HydrophobicContact CB-CG 4.28Å; D635-R641 VanDerWaalsContact CG-CG 3.42Å; D635-R641 WeakPolarHBondContact OD1-CG 3.24Å
636	D	95.8	Very high	97.2	Very high	68 Å²	68	35.4 Å²	35.4	36%	0.364	20%	0.203	S	C	.	.			trans	-87.1	5.7	177	68.4	-6.8	0	0	0	112.8	G605 N606 A634 T638	G605-D636 WeakPolarHBondContact CA-OD2 3.29Å; N606-D636 PolarHBondContact N-OD2 3.02Å; A634-D636 PolarHBondContact O-N 3.35Å; D636-T638 HydrophobicContact CB-CG2 4.27Å; D636-T638 VanDerWaalsContact CG-OG1 3.29Å; D636-T638 PolarHBondContact O-N 2.8Å; D636-T638 WeakPolarHBondContact OD1-CB 3.47Å; D636-T638 WeakPolarHBondContact OD1-CG2 3.25Å; D636-T638 PolarHBondContact OD1-N 2.98Å; D636-T638 VanDerWaalsContact OD1-N 3.15Å; D636-T638 PolarHBondContact OD1-OG1 2.73Å; D636-T638 WeakPolarHBondContact OD2-CG2 3.48Å; D636-T638 PolarHBondContact OD2-OG1 3.08Å
637	N	96	Very high	97.2	Very high	120 Å²	120	36.1 Å²	36.1	64%	0.642	21%	0.208	S	C	*	.			trans	60.7	19.3	-177.8	-59.4	-77.8	0	0	0	114.4	D635	D635-N637 VanDerWaalsContact OD1-CA 3.29Å; D635-N637 WeakPolarHBondContact OD1-CA 3.29Å; D635-N637 PolarHBondContact OD1-N 3.33Å
638	T	96.9	Very high	97	Very high	13 Å²	13	36.3 Å²	36.3	8%	0.08	21%	0.209	C	C	.	.			trans	-84.3	153.2	179.3	66.1	0	0	0	0	111.4	N606 D636 F640 R641 Q642 E862	N606-T638 HydrophobicContact CB-CG2 3.9Å; D636-T638 HydrophobicContact CB-CG2 4.27Å; D636-T638 VanDerWaalsContact CG-OG1 3.29Å; D636-T638 PolarHBondContact O-N 2.8Å; D636-T638 WeakPolarHBondContact OD1-CB 3.47Å; D636-T638 WeakPolarHBondContact OD1-CG2 3.25Å; D636-T638 PolarHBondContact OD1-N 2.98Å; D636-T638 VanDerWaalsContact OD1-N 3.15Å; D636-T638 PolarHBondContact OD1-OG1 2.73Å; D636-T638 WeakPolarHBondContact OD2-CG2 3.48Å; D636-T638 PolarHBondContact OD2-OG1 3.08Å; T638-F640 PolarHBondContact O-N 3.16Å; T638-R641 PolarHBondContact O-N 3.39Å; T638-R641 PolarHBondContact OG1-N 2.82Å; T638-Q642 WeakPolarHBondContact O-CG 3.1Å; T638-Q642 PolarHBondContact O-N 3Å; T638-Q642 VanDerWaalsContact O-N 3.12Å; T638-E862 WeakPolarHBondContact CA-OE2 3.48Å; T638-E862 WeakPolarHBondContact CB-OE2 3.15Å
639	N	96.4	Very high	96.9	Very high	30 Å²	30	38.5 Å²	38.5	16%	0.16	22%	0.22	C	C	.	.	H	α-helix	trans	-62	-23.3	173.2	-63.9	-4.8	0	0	0	111.5	Q642 K643 K857 E862 E863	N639-Q642 PolarHBondContact O-N 2.72Å; N639-K643 WeakPolarHBondContact O-CB 3.45Å; N639-K643 PolarHBondContact O-N 2.64Å; N639-K857 PolarHBondContact OD1-NZ 3.22Å; N639-E862 HydrophobicContact CB-CB 3.83Å; N639-E862 HydrophobicContact CB-CG 4.21Å; N639-E862 PolarHBondContact N-OE2 3.2Å; N639-E862 PolarHBondContact ND2-O 3.11Å; N639-E863 VanDerWaalsContact ND2-CG 3.28Å; N639-E863 WeakPolarHBondContact ND2-CG 3.21Å; N639-E863 PolarHBondContact ND2-OE1 3.25Å
640	F	96.8	Very high	96.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.1	-50.8	173.1	-58.6	-58.8	0	0	0	111.6	G605 N606 H611 Q614 T638 Q642 K643 V644 M750 G861 E862	G605-F640 WeakPolarHBondContact O-CB 3.33Å; N606-F640 HydrophobicContact CB-CD2 3.73Å; N606-F640 HydrophobicContact CB-CE2 3.94Å; N606-F640 WeakPolarHBondContact OD1-CE2 3.44Å; H611-F640 AromaticContact CD2-CE1 3.95Å; H611-F640 AromaticContact CD2-CZ 3.72Å; H611-F640 AromaticContact NE2-CE2 3.75Å; H611-F640 AromaticContact NE2-CZ 3.77Å; Q614-F640 VanDerWaalsContact NE2-CD1 3.28Å; T638-F640 PolarHBondContact O-N 3.16Å; F640-Q642 VanDerWaalsContact C-N 3.35Å; F640-Q642 PolarHBondContact O-N 3.3Å; F640-K643 PolarHBondContact O-N 3.32Å; F640-V644 WeakPolarHBondContact O-CG2 3.37Å; F640-V644 PolarHBondContact O-N 3.43Å; F640-M750 HydrophobicContact CE1-CE 3.46Å; F640-M750 VanDerWaalsContact CE1-CE 3.46Å; F640-M750 HydrophobicContact CE1-SD 4.48Å; F640-M750 HydrophobicContact CZ-CE 3.83Å; F640-G861 WeakPolarHBondContact CE1-O 3.31Å; F640-G861 VanDerWaalsContact CZ-O 3.32Å; F640-G861 WeakPolarHBondContact CZ-O 3.14Å; F640-E862 HydrophobicContact CD2-CG 3.77Å; F640-E862 HydrophobicContact CE2-CG 3.45Å; F640-E862 VanDerWaalsContact CE2-CG 3.45Å; F640-E862 HydrophobicContact CZ-CG 3.93Å
641	R	97.7	Very high	96.9	Very high	3 Å²	3	44.3 Å²	44.3	1%	0.011	25%	0.246	C	C	.	.	H	α-helix	trans	-59.2	-47.7	175.2	174.6	43.1	157.6	-110.2	1.5	110.7	F604 A631 S633 D635 T638 K643 V644 S645 D653	F604-R641 WeakPolarHBondContact O-CB 3.5Å; F604-R641 WeakPolarHBondContact O-CD 3.43Å; F604-R641 PolarHBondContact O-NH1 3.36Å; A631-R641 VanDerWaalsContact CB-NH1 3.28Å; S633-R641 PolarHBondContact O-NH1 3.1Å; S633-R641 PolarHBondContact O-NH2 3.36Å; D635-R641 HydrophobicContact CB-CG 4.28Å; D635-R641 VanDerWaalsContact CG-CG 3.42Å; D635-R641 WeakPolarHBondContact OD1-CG 3.24Å; T638-R641 PolarHBondContact O-N 3.39Å; T638-R641 PolarHBondContact OG1-N 2.82Å; R641-K643 VanDerWaalsContact C-N 3.31Å; R641-K643 PolarHBondContact O-N 3.42Å; R641-V644 PolarHBondContact O-N 3.22Å; R641-S645 WeakPolarHBondContact O-CB 3.19Å; R641-S645 PolarHBondContact O-N 2.98Å; R641-S645 PolarHBondContact O-OG 3.49Å; R641-D653 IonicContact NH2-OD2 3.32Å; R641-D653 PolarHBondContact NH2-OD2 3.19Å
642	Q	97.5	Very high	96.9	Very high	92 Å²	92	44.6 Å²	44.6	43%	0.43	25%	0.248	S	C	.	.	H	α-helix	trans	-60.4	-38.6	177.7	-65.8	179.1	3.7	0	0	112.9	T638 N639 F640 S645 S646	T638-Q642 WeakPolarHBondContact O-CG 3.1Å; T638-Q642 PolarHBondContact O-N 3Å; T638-Q642 VanDerWaalsContact O-N 3.12Å; N639-Q642 PolarHBondContact O-N 2.72Å; F640-Q642 VanDerWaalsContact C-N 3.35Å; F640-Q642 PolarHBondContact O-N 3.3Å; Q642-S645 WeakPolarHBondContact CA-OG 3.42Å; Q642-S645 PolarHBondContact O-OG 3.21Å; Q642-S645 VanDerWaalsContact O-OG 3.13Å; Q642-S646 WeakPolarHBondContact O-CB 3.33Å; Q642-S646 PolarHBondContact O-N 3.26Å; Q642-S646 PolarHBondContact O-OG 3.21Å
643	K	96.9	Very high	96.9	Very high	85 Å²	85	47.1 Å²	47.1	37%	0.37	26%	0.262	S	S	.	.	H	α-helix	trans	-64.8	-50.6	178.3	179.6	67.1	177.3	-173.1	0	110.8	Q614 N639 F640 R641 S645 S646 T647	Q614-K643 HydrophobicContact CB-CG 4.44Å; Q614-K643 HydrophobicContact CG-CG 4.41Å; N639-K643 WeakPolarHBondContact O-CB 3.45Å; N639-K643 PolarHBondContact O-N 2.64Å; F640-K643 PolarHBondContact O-N 3.32Å; R641-K643 VanDerWaalsContact C-N 3.31Å; R641-K643 PolarHBondContact O-N 3.42Å; K643-S645 VanDerWaalsContact C-N 3.34Å; K643-S645 PolarHBondContact O-N 3.2Å; K643-S646 PolarHBondContact O-OG 2.78Å; K643-T647 HydrophobicContact CD-CG2 3.89Å; K643-T647 WeakPolarHBondContact O-CB 3.34Å; K643-T647 WeakPolarHBondContact O-CG2 3.29Å; K643-T647 PolarHBondContact O-N 3.2Å; K643-T647 VanDerWaalsContact O-N 3.08Å; K643-T647 PolarHBondContact O-OG1 3.14Å
644	V	97.7	Very high	97.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-59.8	-48.2	178.2	176.2	0	0	0	0	109.8	F604 Q614 P617 C629 F640 R641 S646 T647 S648 F651	F604-V644 HydrophobicContact CB-CG1 4.48Å; F604-V644 HydrophobicContact CD1-CG1 3.94Å; F604-V644 HydrophobicContact CD1-CG2 4.44Å; F604-V644 HydrophobicContact CE1-CG1 4.27Å; F604-V644 HydrophobicContact CG-CG1 4.09Å; Q614-V644 HydrophobicContact CB-CG2 3.94Å; P617-V644 HydrophobicContact CG-CG1 4.41Å; C629-V644 HydrophobicContact CB-CG1 4.33Å; F640-V644 WeakPolarHBondContact O-CG2 3.37Å; F640-V644 PolarHBondContact O-N 3.43Å; R641-V644 PolarHBondContact O-N 3.22Å; V644-S646 PolarHBondContact O-N 3.01Å; V644-T647 PolarHBondContact O-N 3.37Å; V644-S648 VanDerWaalsContact O-CB 3.29Å; V644-S648 WeakPolarHBondContact O-CB 3.33Å; V644-S648 PolarHBondContact O-N 2.93Å; V644-S648 PolarHBondContact O-OG 2.74Å; V644-F651 HydrophobicContact CG1-CD2 4.28Å; V644-F651 HydrophobicContact CG1-CE2 3.87Å
645	S	97.7	Very high	97.1	Very high	41 Å²	41	43.5 Å²	43.5	29%	0.287	23%	0.233	S	C	.	.	H	α-helix	trans	-67.6	-38.2	-176.4	68.6	0	0	0	0	114.1	R641 Q642 K643 S648 F651	R641-S645 WeakPolarHBondContact O-CB 3.19Å; R641-S645 PolarHBondContact O-N 2.98Å; R641-S645 PolarHBondContact O-OG 3.49Å; Q642-S645 WeakPolarHBondContact CA-OG 3.42Å; Q642-S645 PolarHBondContact O-OG 3.21Å; Q642-S645 VanDerWaalsContact O-OG 3.13Å; K643-S645 VanDerWaalsContact C-N 3.34Å; K643-S645 PolarHBondContact O-N 3.2Å; S645-S648 PolarHBondContact O-OG 2.91Å; S645-F651 VanDerWaalsContact CA-CD2 3.42Å
646	S	97.3	Very high	96.9	Very high	88 Å²	88	47.8 Å²	47.8	62%	0.615	25%	0.25	S	S	*	.	H	α-helix	trans	-79	-24.3	-179.2	61.1	0	0	0	0	113.7	Q642 K643 V644	Q642-S646 WeakPolarHBondContact O-CB 3.33Å; Q642-S646 PolarHBondContact O-N 3.26Å; Q642-S646 PolarHBondContact O-OG 3.21Å; K643-S646 PolarHBondContact O-OG 2.78Å; V644-S646 PolarHBondContact O-N 3.01Å
647	T	96.5	Very high	96.7	Very high	26 Å²	26	46.6 Å²	46.6	16%	0.16	25%	0.246	C	C	.	.	H	α-helix	trans	-101.5	-24	-176.4	64.5	0	0	0	0	114	G618 R622 K643 V644	G618-T647 WeakPolarHBondContact CA-O 3.34Å; R622-T647 PolarHBondContact NH2-O 3.1Å; K643-T647 HydrophobicContact CD-CG2 3.89Å; K643-T647 WeakPolarHBondContact O-CB 3.34Å; K643-T647 WeakPolarHBondContact O-CG2 3.29Å; K643-T647 PolarHBondContact O-N 3.2Å; K643-T647 VanDerWaalsContact O-N 3.08Å; K643-T647 PolarHBondContact O-OG1 3.14Å; V644-T647 PolarHBondContact O-N 3.37Å
648	S	95.2	Very high	96.1	Very high	8 Å²	8	47.7 Å²	47.7	6%	0.056	25%	0.25	C	S	.	.	S	Bend	trans	-60.1	143.5	165	62.8	0	0	0	0	110.3	V644 S645 H650	V644-S648 VanDerWaalsContact O-CB 3.29Å; V644-S648 WeakPolarHBondContact O-CB 3.33Å; V644-S648 PolarHBondContact O-N 2.93Å; V644-S648 PolarHBondContact O-OG 2.74Å; S645-S648 PolarHBondContact O-OG 2.91Å; S648-H650 VanDerWaalsContact C-N 3.28Å
649	E	97	Very high	95.6	Very high	55 Å²	55	50.6 Å²	50.6	26%	0.257	27%	0.266	S	S	.	.	S	Bend	trans	-65.2	-37.9	174.8	-169.4	172.5	157.1	0	0	110.8	R594 I627	R594-E649 IonicContact CZ-OE1 3.88Å; R594-E649 VanDerWaalsContact CZ-OE1 3.29Å; R594-E649 IonicContact CZ-OE2 2.8Å; R594-E649 IonicContact NH1-OE1 3.67Å; R594-E649 PolarHBondContact NH1-OE1 3.33Å; R594-E649 IonicContact NH1-OE2 2.82Å; R594-E649 PolarHBondContact NH1-OE2 2.99Å; R594-E649 IonicContact NH2-OE1 3.77Å; R594-E649 PolarHBondContact NH2-OE1 3.43Å; R594-E649 IonicContact NH2-OE2 3.99Å; I627-E649 PolarHBondContact O-N 3.43Å
650	H	98.5	Very high	95.3	Very high	65 Å²	65	51 Å²	51	30%	0.301	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	127.9	174.9	-55.2	-81.9	0	0	0	111.1	E626 I627 F628 C629 S648	E626-H650 IonicContact OE1-CD2 2.71Å; E626-H650 IonicContact OE1-CE1 2.77Å; E626-H650 IonicContact OE1-NE2 3.06Å; E626-H650 PolarHBondContact OE1-NE2 3.39Å; I627-H650 PolarHBondContact O-N 3.33Å; F628-H650 CarbonylContact C-O 3.6Å; F628-H650 WeakPolarHBondContact CA-O 3.07Å; F628-H650 HydrophobicContact CB-CB 4.5Å; F628-H650 HydrophobicContact CD1-CB 3.39Å; F628-H650 AromaticContact CD1-CD2 3.93Å; F628-H650 AromaticContact CD1-CG 3.8Å; F628-H650 HydrophobicContact CE1-CB 3.61Å; F628-H650 AromaticContact CE1-CD2 3.48Å; F628-H650 VanDerWaalsContact CE1-CD2 3.48Å; F628-H650 WeakPolarHBondContact CE1-CD2 3.41Å; F628-H650 AromaticContact CE1-CG 3.47Å; F628-H650 VanDerWaalsContact CE1-CG 3.47Å; F628-H650 AromaticContact CE2-CD2 3.6Å; F628-H650 HydrophobicContact CG-CB 3.93Å; F628-H650 HydrophobicContact CZ-CB 4.33Å; F628-H650 AromaticContact CZ-CD2 3.29Å; F628-H650 WeakPolarHBondContact CZ-CD2 3.41Å; F628-H650 AromaticContact CZ-CG 3.8Å; F628-H650 AromaticContact CZ-NE2 3.67Å; C629-H650 PolarHBondContact N-O 3.45Å; S648-H650 VanDerWaalsContact C-N 3.28Å
651	F	98.7	Very high	95.1	Very high	56 Å²	56	51.2 Å²	51.2	25%	0.246	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.3	174.3	-165.2	-93.1	0	0	0	110.6	F604 C629 A631 V644 S645	F604-F651 HydrophobicContact CD2-CE2 4.08Å; F604-F651 HydrophobicContact CD2-CZ 4.39Å; C629-F651 HydrophobicContact CB-CD2 3.64Å; C629-F651 HydrophobicContact CB-CE2 3.97Å; A631-F651 HydrophobicContact CB-CE1 4.04Å; A631-F651 HydrophobicContact CB-CZ 3.66Å; V644-F651 HydrophobicContact CG1-CD2 4.28Å; V644-F651 HydrophobicContact CG1-CE2 3.87Å; S645-F651 VanDerWaalsContact CA-CD2 3.42Å
652	V	98.7	Very high	94.8	Very high	7 Å²	7	57.4 Å²	57.4	4%	0.042	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	117.2	-176.1	-175.9	0	0	0	0	109.4	C629 Y630 A631 L654 R666	C629-V652 PolarHBondContact O-N 3.08Å; Y630-V652 CarbonylContact C-O 3.23Å; Y630-V652 WeakPolarHBondContact CA-O 3.35Å; Y630-V652 HydrophobicContact CD1-CB 3.61Å; Y630-V652 HydrophobicContact CD1-CG1 3.94Å; Y630-V652 HydrophobicContact CD1-CG2 4.1Å; Y630-V652 HydrophobicContact CE1-CB 3.85Å; Y630-V652 HydrophobicContact CE1-CG1 4.15Å; Y630-V652 HydrophobicContact CE1-CG2 3.83Å; A631-V652 PolarHBondContact N-O 3.3Å; V652-L654 HydrophobicContact CG1-CD2 3.92Å; V652-L654 HydrophobicContact CG1-CG 4.21Å; V652-R666 HydrophobicContact CG1-CG 4.09Å
653	D	98.1	Very high	94.7	Very high	70 Å²	70	53 Å²	53	37%	0.374	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	114.3	175.1	-163.3	-36.1	0	0	0	110.5	R641 S655	R641-D653 IonicContact NH2-OD2 3.32Å; R641-D653 PolarHBondContact NH2-OD2 3.19Å; D653-S655 WeakPolarHBondContact OD1-CB 3.42Å; D653-S655 PolarHBondContact OD1-N 3.32Å; D653-S655 PolarHBondContact OD1-OG 3.05Å
654	L	97.9	Very high	94.8	Very high	3 Å²	3	49 Å²	49	2%	0.016	26%	0.259	C	S	.	.			trans	-106	7.8	176.8	-61.4	179.3	0	0	0	112.4	Y630 A631 L632 V652 Q656 T657 A663 R666 I667 R686	Y630-L654 HydrophobicContact CD1-CD1 3.92Å; Y630-L654 HydrophobicContact CD1-CG 4.42Å; Y630-L654 HydrophobicContact CG-CD1 4.33Å; A631-L654 CarbonylContact O-C 3.59Å; A631-L654 WeakPolarHBondContact O-CA 3.36Å; A631-L654 WeakPolarHBondContact O-CB 3.39Å; A631-L654 PolarHBondContact O-N 3.16Å; L632-L654 HydrophobicContact CD2-CB 4.33Å; L632-L654 HydrophobicContact CD2-CD1 4.41Å; V652-L654 HydrophobicContact CG1-CD2 3.92Å; V652-L654 HydrophobicContact CG1-CG 4.21Å; L654-Q656 VanDerWaalsContact C-N 3.29Å; L654-Q656 PolarHBondContact O-N 3.33Å; L654-T657 CarbonylContact O-C 3.58Å; L654-T657 WeakPolarHBondContact O-CA 3.3Å; L654-T657 PolarHBondContact O-N 2.84Å; L654-A663 HydrophobicContact CD1-CB 4.11Å; L654-R666 HydrophobicContact CD2-CB 4.42Å; L654-R666 HydrophobicContact CD2-CG 4.25Å; L654-I667 HydrophobicContact CD1-CD1 4.36Å; L654-R686 PolarHBondContact O-NH1 3.01Å; L654-R686 VanDerWaalsContact O-NH1 3.15Å
655	S	94.7	Very high	94.8	Very high	15 Å²	15	51.9 Å²	51.9	11%	0.105	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-35.2	-177.5	67.4	0	0	0	0	113.3	A631 A634 D653	A631-S655 PolarHBondContact O-N 2.86Å; A634-S655 VanDerWaalsContact N-CB 3.32Å; D653-S655 WeakPolarHBondContact OD1-CB 3.42Å; D653-S655 PolarHBondContact OD1-N 3.32Å; D653-S655 PolarHBondContact OD1-OG 3.05Å
656	Q	92.4	Very high	94.8	Very high	159 Å²	159	55.4 Å²	55.4	74%	0.743	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-9.7	174.8	-57.6	-55.5	-51.1	0	0	112.8	L654 L658	L654-Q656 VanDerWaalsContact C-N 3.29Å; L654-Q656 PolarHBondContact O-N 3.33Å; Q656-L658 PolarHBondContact O-N 3.02Å
657	T	92	Very high	94.9	Very high	43 Å²	43	51.2 Å²	51.2	26%	0.264	25%	0.252	S	S	.	.			trans	-90.5	77.5	175.2	-54.7	0	0	0	0	108.6	L654 D659 K662 A663 R686	L654-T657 CarbonylContact O-C 3.58Å; L654-T657 WeakPolarHBondContact O-CA 3.3Å; L654-T657 PolarHBondContact O-N 2.84Å; T657-D659 VanDerWaalsContact C-N 3.28Å; T657-D659 PolarHBondContact O-N 3.28Å; T657-K662 HydrophobicContact CG2-CB 3.7Å; T657-A663 HydrophobicContact CG2-CB 4.18Å; T657-R686 VanDerWaalsContact O-CZ 3.25Å; T657-R686 PolarHBondContact O-NH1 3.32Å; T657-R686 PolarHBondContact O-NH2 2.98Å
658	L	83.7	Confident	95	Very high	142 Å²	142	51 Å²	51	74%	0.743	25%	0.253	S	S	*	.			trans	-66.7	-30.9	-177	-58.9	175.9	0	0	0	112.6	Q656 N660 R686	Q656-L658 PolarHBondContact O-N 3.02Å; L658-N660 PolarHBondContact O-N 3.19Å; L658-R686 PolarHBondContact O-NH2 3.48Å
659	D	86	Confident	95.1	Very high	74 Å²	74	54 Å²	54	40%	0.396	28%	0.279	S	S	.	.			trans	-69.4	117.6	176	-175.4	-63.2	0	0	0	111	T657 G661 K662 A663	T657-D659 VanDerWaalsContact C-N 3.28Å; T657-D659 PolarHBondContact O-N 3.28Å; D659-G661 VanDerWaalsContact C-N 3.3Å; D659-G661 PolarHBondContact O-N 3.27Å; D659-G661 VanDerWaalsContact OD1-CA 3.22Å; D659-G661 WeakPolarHBondContact OD1-CA 3.44Å; D659-G661 PolarHBondContact OD1-N 3.3Å; D659-K662 HydrophobicContact CB-CB 4.16Å; D659-K662 HydrophobicContact CB-CD 4.03Å; D659-K662 HydrophobicContact CB-CG 4.05Å; D659-K662 PolarHBondContact O-N 3.33Å; D659-K662 PolarHBondContact OD1-N 3.02Å; D659-A663 PolarHBondContact O-N 3.31Å; D659-A663 VanDerWaalsContact O-N 3.11Å
660	N	91.5	Very high	95.1	Very high	38 Å²	38	52.7 Å²	52.7	20%	0.203	27%	0.274	C	S	.	.	H	α-helix	trans	-67.2	-29.5	-178.8	-67	-41.6	0	0	0	113	L658 A664 R686 E688 I689	L658-N660 PolarHBondContact O-N 3.19Å; N660-A664 WeakPolarHBondContact O-CB 3.47Å; N660-A664 PolarHBondContact O-N 2.93Å; N660-R686 PolarHBondContact OD1-NE 2.96Å; N660-R686 PolarHBondContact OD1-NH2 3.44Å; N660-E688 HydrophobicContact CB-CB 3.99Å; N660-E688 WeakPolarHBondContact ND2-CB 3.42Å; N660-I689 HydrophobicContact CB-CG1 4.15Å
661	G	91.4	Very high	95.1	Very high	5 Å²	5	57.6 Å²	57.6	5%	0.052	29%	0.289	C	S	.	.	H	α-helix	trans	-66.7	-45.1	175.3	0	0	0	0	0	112.3	D659 A663 A664 D665	D659-G661 VanDerWaalsContact C-N 3.3Å; D659-G661 PolarHBondContact O-N 3.27Å; D659-G661 VanDerWaalsContact OD1-CA 3.22Å; D659-G661 WeakPolarHBondContact OD1-CA 3.44Å; D659-G661 PolarHBondContact OD1-N 3.3Å; G661-A663 VanDerWaalsContact C-N 3.35Å; G661-A664 PolarHBondContact O-N 3.08Å; G661-D665 PolarHBondContact O-N 3.35Å
662	K	92	Very high	95.1	Very high	134 Å²	134	55 Å²	55	58%	0.583	28%	0.278	S	S	*	.	H	α-helix	trans	-65.4	-38.3	175.5	-67.9	-177.5	-176.3	174	0	112.1	T657 D659 D665 R666	T657-K662 HydrophobicContact CG2-CB 3.7Å; D659-K662 HydrophobicContact CB-CB 4.16Å; D659-K662 HydrophobicContact CB-CD 4.03Å; D659-K662 HydrophobicContact CB-CG 4.05Å; D659-K662 PolarHBondContact O-N 3.33Å; D659-K662 PolarHBondContact OD1-N 3.02Å; K662-D665 PolarHBondContact O-N 3.04Å; K662-R666 PolarHBondContact O-N 3.25Å
663	A	96.1	Very high	95.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.7	-46.5	173.5	0	0	0	0	0	111.4	L654 T657 D659 G661 R666 I667 I689	L654-A663 HydrophobicContact CD1-CB 4.11Å; T657-A663 HydrophobicContact CG2-CB 4.18Å; D659-A663 PolarHBondContact O-N 3.31Å; D659-A663 VanDerWaalsContact O-N 3.11Å; G661-A663 VanDerWaalsContact C-N 3.35Å; A663-R666 PolarHBondContact O-N 2.88Å; A663-I667 WeakPolarHBondContact O-CG1 3.47Å; A663-I667 PolarHBondContact O-N 3.28Å; A663-I689 HydrophobicContact CB-CD1 3.72Å; A663-I689 HydrophobicContact CB-CG1 4.04Å
664	A	98.2	Very high	95.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.8	-38.6	175.2	0	0	0	0	0	112.5	Y583 N660 G661 R666 I667 A668 I689 L692 P694	Y583-A664 HydrophobicContact CE2-CB 4.14Å; Y583-A664 VanDerWaalsContact OH-C 3.23Å; Y583-A664 VanDerWaalsContact OH-CB 3.23Å; Y583-A664 WeakPolarHBondContact OH-CB 3.43Å; N660-A664 WeakPolarHBondContact O-CB 3.47Å; N660-A664 PolarHBondContact O-N 2.93Å; G661-A664 PolarHBondContact O-N 3.08Å; A664-R666 VanDerWaalsContact C-N 3.31Å; A664-R666 PolarHBondContact O-N 2.97Å; A664-I667 PolarHBondContact O-N 3.17Å; A664-A668 WeakPolarHBondContact O-CB 3.39Å; A664-A668 PolarHBondContact O-N 3.41Å; A664-I689 HydrophobicContact CB-CG2 4.33Å; A664-L692 HydrophobicContact CB-CB 4Å; A664-L692 HydrophobicContact CB-CD1 3.71Å; A664-P694 HydrophobicContact CB-CB 4.2Å; A664-P694 HydrophobicContact CB-CG 4.24Å; A664-P694 WeakPolarHBondContact O-CB 3.22Å
665	D	97.6	Very high	95.2	Very high	61 Å²	61	51.3 Å²	51.3	33%	0.326	26%	0.258	S	S	.	.	H	α-helix	trans	-60	-42	175.9	-74.4	-22.9	0	0	0	112.1	K580 Y583 G661 K662 A668 A669	K580-D665 WeakPolarHBondContact CE-OD1 3.42Å; K580-D665 IonicContact NZ-OD1 3.22Å; K580-D665 PolarHBondContact NZ-OD1 3.07Å; K580-D665 IonicContact NZ-OD2 2.72Å; K580-D665 PolarHBondContact NZ-OD2 3.31Å; Y583-D665 WeakPolarHBondContact CE1-OD1 3.24Å; Y583-D665 PolarHBondContact OH-N 3.27Å; Y583-D665 VanDerWaalsContact OH-N 3.09Å; Y583-D665 PolarHBondContact OH-OD1 2.89Å; G661-D665 PolarHBondContact O-N 3.35Å; K662-D665 PolarHBondContact O-N 3.04Å; D665-A668 PolarHBondContact O-N 3.28Å; D665-A669 WeakPolarHBondContact O-CB 3.45Å; D665-A669 PolarHBondContact O-N 3.15Å
666	R	98.3	Very high	95.4	Very high	114 Å²	114	50.6 Å²	50.6	43%	0.43	25%	0.253	S	S	.	.	H	α-helix	trans	-61.6	-48.2	176	175.2	53.9	-174.3	-90.1	2.9	111.3	V652 L654 K662 A663 A664 A668 A669 D670	V652-R666 HydrophobicContact CG1-CG 4.09Å; L654-R666 HydrophobicContact CD2-CB 4.42Å; L654-R666 HydrophobicContact CD2-CG 4.25Å; K662-R666 PolarHBondContact O-N 3.25Å; A663-R666 PolarHBondContact O-N 2.88Å; A664-R666 VanDerWaalsContact C-N 3.31Å; A664-R666 PolarHBondContact O-N 2.97Å; R666-A668 VanDerWaalsContact C-N 3.34Å; R666-A668 PolarHBondContact O-N 3.47Å; R666-A669 PolarHBondContact O-N 3.09Å; R666-D670 IonicContact NE-OD1 2.84Å; R666-D670 IonicContact NE-OD2 3.68Å; R666-D670 PolarHBondContact NE-OD2 2.92Å; R666-D670 PolarHBondContact O-N 3.18Å
667	I	98.7	Very high	95.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.1	-42.9	179.1	-65.5	166.7	0	0	0	111	V600 Y630 L654 A663 A664 A669 D670 I672 L675 I689 P694	V600-I667 HydrophobicContact CG2-CD1 4.46Å; Y630-I667 HydrophobicContact CD1-CG1 3.88Å; Y630-I667 HydrophobicContact CD2-CG1 4.31Å; Y630-I667 HydrophobicContact CE1-CG1 3.72Å; Y630-I667 HydrophobicContact CE2-CG1 4.14Å; Y630-I667 HydrophobicContact CG-CD1 4.48Å; Y630-I667 HydrophobicContact CG-CG1 4.18Å; L654-I667 HydrophobicContact CD1-CD1 4.36Å; A663-I667 WeakPolarHBondContact O-CG1 3.47Å; A663-I667 PolarHBondContact O-N 3.28Å; A664-I667 PolarHBondContact O-N 3.17Å; I667-A669 PolarHBondContact O-N 3.23Å; I667-D670 PolarHBondContact O-N 3.46Å; I667-I672 HydrophobicContact CG2-CB 4.34Å; I667-I672 HydrophobicContact CG2-CG1 3.99Å; I667-L675 HydrophobicContact CD1-CD1 4.46Å; I667-L675 HydrophobicContact CD1-CD2 4.47Å; I667-L675 HydrophobicContact CG2-CD1 3.69Å; I667-L675 HydrophobicContact CG2-CD2 4.07Å; I667-I689 HydrophobicContact CD1-CG2 3.62Å; I667-P694 HydrophobicContact CB-CB 4.06Å; I667-P694 HydrophobicContact CB-CG 4.23Å; I667-P694 HydrophobicContact CG2-CB 3.91Å; I667-P694 HydrophobicContact CG2-CG 3.93Å
668	A	98.3	Very high	96	Very high	22 Å²	22	41.1 Å²	41.1	18%	0.182	21%	0.206	C	C	.	.	H	α-helix	trans	-64.9	-38.8	178.1	0	0	0	0	0	112.1	Y583 A664 D665 R666 D670 R671 P694	Y583-A668 HydrophobicContact CD1-CB 3.37Å; Y583-A668 HydrophobicContact CE1-CB 3.53Å; Y583-A668 HydrophobicContact CG-CB 3.91Å; A664-A668 WeakPolarHBondContact O-CB 3.39Å; A664-A668 PolarHBondContact O-N 3.41Å; D665-A668 PolarHBondContact O-N 3.28Å; R666-A668 VanDerWaalsContact C-N 3.34Å; R666-A668 PolarHBondContact O-N 3.47Å; A668-D670 VanDerWaalsContact C-N 3.27Å; A668-D670 PolarHBondContact O-N 2.84Å; A668-R671 WeakPolarHBondContact O-CA 3.42Å; A668-R671 PolarHBondContact O-N 3.36Å; A668-P694 HydrophobicContact CB-CB 4.08Å
669	A	97.9	Very high	96.7	Very high	72 Å²	72	34.3 Å²	34.3	60%	0.595	17%	0.17	S	C	*	.	H	α-helix	trans	-63	-33	176.4	0	0	0	0	0	112.7	D665 R666 I667 R671	D665-A669 WeakPolarHBondContact O-CB 3.45Å; D665-A669 PolarHBondContact O-N 3.15Å; R666-A669 PolarHBondContact O-N 3.09Å; I667-A669 PolarHBondContact O-N 3.23Å; A669-R671 PolarHBondContact O-N 2.98Å
670	D	97.6	Very high	97.1	Very high	27 Å²	27	30.9 Å²	30.9	14%	0.144	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-9	174.8	-64.6	-28.3	0	0	0	112.6	R596 F628 Y630 R666 I667 A668 I672	R596-D670 WeakPolarHBondContact CD-O 3.33Å; R596-D670 PolarHBondContact NH1-O 2.95Å; F628-D670 HydrophobicContact CD1-CB 4.24Å; F628-D670 HydrophobicContact CE1-CB 3.92Å; F628-D670 HydrophobicContact CZ-CB 4.39Å; Y630-D670 WeakPolarHBondContact CE1-OD2 3.35Å; Y630-D670 VanDerWaalsContact OH-CB 3.32Å; Y630-D670 WeakPolarHBondContact OH-CB 3.41Å; Y630-D670 PolarHBondContact OH-OD2 3.31Å; R666-D670 IonicContact NE-OD1 2.84Å; R666-D670 IonicContact NE-OD2 3.68Å; R666-D670 PolarHBondContact NE-OD2 2.92Å; R666-D670 PolarHBondContact O-N 3.18Å; I667-D670 PolarHBondContact O-N 3.46Å; A668-D670 VanDerWaalsContact C-N 3.27Å; A668-D670 PolarHBondContact O-N 2.84Å; D670-I672 HydrophobicContact CB-CD1 4.1Å; D670-I672 HydrophobicContact CB-CG1 4.23Å
671	R	97.7	Very high	97.4	Very high	168 Å²	168	29.7 Å²	29.7	63%	0.634	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	48.7	179.3	-49.5	-171	-155.9	-147.3	4.8	112.7	P586 R596 A668 A669	P586-R671 HydrophobicContact CG-CB 3.98Å; R596-R671 WeakPolarHBondContact CD-O 3.49Å; A668-R671 WeakPolarHBondContact O-CA 3.42Å; A668-R671 PolarHBondContact O-N 3.36Å; A669-R671 PolarHBondContact O-N 2.98Å
672	I	98.6	Very high	97.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.151	C	C	.	.			trans	-63.7	133.9	176.2	-58.5	-53.5	0	0	0	110	R596 F628 Y630 I667 D670 I674 L675 A695 P696	R596-I672 HydrophobicContact CB-CD1 4.23Å; F628-I672 HydrophobicContact CB-CD1 3.96Å; F628-I672 HydrophobicContact CD1-CD1 4.2Å; F628-I672 HydrophobicContact CD2-CD1 3.43Å; F628-I672 VanDerWaalsContact CD2-CD1 3.43Å; F628-I672 HydrophobicContact CE2-CD1 3.92Å; F628-I672 HydrophobicContact CG-CD1 3.6Å; Y630-I672 HydrophobicContact CE2-CD1 4.36Å; Y630-I672 HydrophobicContact CE2-CG1 4.2Å; Y630-I672 WeakPolarHBondContact OH-CD1 3.38Å; Y630-I672 WeakPolarHBondContact OH-CG1 3.35Å; I667-I672 HydrophobicContact CG2-CB 4.34Å; I667-I672 HydrophobicContact CG2-CG1 3.99Å; D670-I672 HydrophobicContact CB-CD1 4.1Å; D670-I672 HydrophobicContact CB-CG1 4.23Å; I672-I674 VanDerWaalsContact CG2-C 3.49Å; I672-I674 WeakPolarHBondContact CG2-O 3.22Å; I672-L675 HydrophobicContact CG2-CB 4.2Å; I672-L675 HydrophobicContact CG2-CD1 4.14Å; I672-A695 HydrophobicContact CB-CB 4.33Å; I672-A695 HydrophobicContact CG2-CB 4.25Å; I672-P696 WeakPolarHBondContact O-CD 3.39Å
673	H	98.8	Very high	97.4	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.019	16%	0.158	C	C	.	.	S	Bend	trans	-89.3	-43.7	177.1	-55	93.3	0	0	0	110.7	A588 L595 R596 P696 I697 W1065	A588-H673 PolarHBondContact O-NE2 2.71Å; L595-H673 HydrophobicContact CD1-CB 3.58Å; R596-H673 WeakPolarHBondContact CA-ND1 3.5Å; R596-H673 VanDerWaalsContact CB-ND1 3.26Å; R596-H673 WeakPolarHBondContact CB-ND1 3.31Å; R596-H673 PolarHBondContact N-ND1 3.47Å; R596-H673 WeakPolarHBondContact O-CB 3.44Å; R596-H673 PolarHBondContact O-N 3.02Å; H673-P696 WeakPolarHBondContact O-CG 3.16Å; H673-I697 PolarHBondContact O-N 3.27Å; H673-W1065 HydrophobicContact CB-CD2 4.49Å; H673-W1065 HydrophobicContact CB-CE3 3.68Å; H673-W1065 HydrophobicContact CB-CH2 4.44Å; H673-W1065 HydrophobicContact CB-CZ3 3.64Å; H673-W1065 AromaticContact CD2-CH2 3.39Å; H673-W1065 WeakPolarHBondContact CD2-CH2 3.46Å; H673-W1065 AromaticContact CD2-CZ2 3.88Å; H673-W1065 AromaticContact CD2-CZ3 3.51Å; H673-W1065 AromaticContact CG-CZ3 3.92Å
674	I	98.9	Very high	97.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	117.7	178.3	-57.6	-178.9	0	0	0	108.8	L595 R596 V597 G598 I672 V676 I697 V699 Y1061 M1064	L595-I674 HydrophobicContact CD2-CD1 3.94Å; R596-I674 PolarHBondContact O-N 3.22Å; V597-I674 CarbonylContact C-O 3.47Å; V597-I674 WeakPolarHBondContact CA-O 3.48Å; V597-I674 HydrophobicContact CG2-CB 4.47Å; G598-I674 PolarHBondContact N-O 3.09Å; I672-I674 VanDerWaalsContact CG2-C 3.49Å; I672-I674 WeakPolarHBondContact CG2-O 3.22Å; I674-V676 HydrophobicContact CG2-CG2 4.18Å; I674-I697 WeakPolarHBondContact CA-O 3.38Å; I674-I697 HydrophobicContact CG1-CB 4.17Å; I674-I697 HydrophobicContact CG1-CD1 4.15Å; I674-I697 HydrophobicContact CG1-CG2 4.36Å; I674-I697 HydrophobicContact CG2-CG2 4.42Å; I674-V699 HydrophobicContact CG2-CG2 3.64Å; I674-Y1061 HydrophobicContact CD1-CD1 3.72Å; I674-Y1061 HydrophobicContact CD1-CG 3.95Å; I674-Y1061 WeakPolarHBondContact CD1-O 3.34Å; I674-Y1061 HydrophobicContact CG2-CD1 4.05Å; I674-Y1061 HydrophobicContact CG2-CE1 4.08Å; I674-M1064 HydrophobicContact CD1-CB 4.2Å; I674-M1064 HydrophobicContact CD1-SD 4.34Å
675	L	98.9	Very high	96.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121	176.9	-168.5	72.1	0	0	0	110.2	G598 V600 Y630 I667 I672 F690 P694 A695 I697 Q698 V699	G598-L675 CarbonylContact O-C 3.39Å; G598-L675 WeakPolarHBondContact O-CA 3.31Å; V600-L675 HydrophobicContact CG2-CD1 3.49Å; V600-L675 VanDerWaalsContact CG2-CD1 3.49Å; V600-L675 HydrophobicContact CG2-CD2 4.38Å; V600-L675 HydrophobicContact CG2-CG 3.92Å; Y630-L675 HydrophobicContact CD2-CD1 4.42Å; Y630-L675 HydrophobicContact CE2-CD1 4.32Å; I667-L675 HydrophobicContact CD1-CD1 4.46Å; I667-L675 HydrophobicContact CD1-CD2 4.47Å; I667-L675 HydrophobicContact CG2-CD1 3.69Å; I667-L675 HydrophobicContact CG2-CD2 4.07Å; I672-L675 HydrophobicContact CG2-CB 4.2Å; I672-L675 HydrophobicContact CG2-CD1 4.14Å; L675-F690 HydrophobicContact CB-CE1 4.45Å; L675-F690 HydrophobicContact CD2-CD1 3.85Å; L675-F690 HydrophobicContact CD2-CE1 3.56Å; L675-F690 HydrophobicContact CD2-CZ 4.23Å; L675-F690 HydrophobicContact CG-CD1 4.4Å; L675-F690 HydrophobicContact CG-CE1 3.69Å; L675-F690 HydrophobicContact CG-CZ 4.32Å; L675-P694 HydrophobicContact CD2-CG 3.87Å; L675-A695 HydrophobicContact CB-CB 3.6Å; L675-A695 HydrophobicContact CD2-CB 4.46Å; L675-I697 PolarHBondContact N-O 3.28Å; L675-Q698 CarbonylContact O-C 3.58Å; L675-Q698 VanDerWaalsContact O-CA 3.32Å; L675-Q698 WeakPolarHBondContact O-CA 3.3Å; L675-V699 PolarHBondContact O-N 3.03Å
676	V	98.9	Very high	96.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	114.5	-172.9	-173.1	0	0	0	0	109.4	V597 G598 Y599 V600 I674 M678 V699 W701 Y1061	V597-V676 HydrophobicContact CG1-CG2 4Å; G598-V676 PolarHBondContact O-N 2.88Å; Y599-V676 HydrophobicContact CD1-CB 3.78Å; Y599-V676 HydrophobicContact CD1-CG1 3.97Å; Y599-V676 HydrophobicContact CD1-CG2 4.12Å; Y599-V676 HydrophobicContact CE1-CB 4.13Å; Y599-V676 HydrophobicContact CE1-CG1 4.16Å; Y599-V676 HydrophobicContact CE1-CG2 4.01Å; V600-V676 PolarHBondContact N-O 3.33Å; I674-V676 HydrophobicContact CG2-CG2 4.18Å; V676-M678 HydrophobicContact CG1-CG 4.13Å; V676-V699 CarbonylContact C-O 3.47Å; V676-V699 WeakPolarHBondContact CA-O 3.42Å; V676-V699 HydrophobicContact CG2-CB 4.5Å; V676-W701 HydrophobicContact CG1-CB 3.71Å; V676-W701 HydrophobicContact CG1-CE3 4.05Å; V676-Y1061 HydrophobicContact CG2-CE1 4.23Å
677	N	98.7	Very high	96.7	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	113.6	169.7	-170.5	-33	0	0	0	109.7	N679 G680 N687 F690 V699 M700 W701 M713	N677-N679 PolarHBondContact OD1-N 3.31Å; N677-G680 PolarHBondContact OD1-N 3.23Å; N677-N687 PolarHBondContact ND2-OD1 3.35Å; N677-F690 VanDerWaalsContact CA-CZ 3.48Å; N677-F690 HydrophobicContact CB-CD1 4.21Å; N677-F690 HydrophobicContact CB-CE1 3.57Å; N677-F690 HydrophobicContact CB-CE2 3.93Å; N677-F690 HydrophobicContact CB-CZ 3.41Å; N677-F690 VanDerWaalsContact CB-CZ 3.41Å; N677-F690 WeakPolarHBondContact ND2-CD2 3.21Å; N677-F690 WeakPolarHBondContact ND2-CE2 3.25Å; N677-V699 PolarHBondContact N-O 3.17Å; N677-M700 HydrophobicContact CB-SD 3.79Å; N677-W701 PolarHBondContact O-N 2.96Å; N677-M713 HydrophobicContact CB-CE 3.82Å; N677-M713 HydrophobicContact CB-SD 4.45Å
678	M	98.3	Very high	96.5	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.162	C	C	.	.	S	Bend	trans	-103.4	9.2	179.3	-60	177.5	61.1	0	0	113.7	Y599 V600 F604 T609 M613 V676 W701 L702 G703	Y599-M678 HydrophobicContact CD1-CG 4.38Å; Y599-M678 HydrophobicContact CD1-SD 3.7Å; Y599-M678 HydrophobicContact CG-SD 4.08Å; V600-M678 WeakPolarHBondContact O-CB 3.24Å; V600-M678 PolarHBondContact O-N 2.9Å; V600-M678 VanDerWaalsContact O-N 3.13Å; F604-M678 HydrophobicContact CE1-CE 4.29Å; F604-M678 HydrophobicContact CE1-SD 4.05Å; F604-M678 HydrophobicContact CZ-SD 4.16Å; T609-M678 HydrophobicContact CG2-CE 3.51Å; M613-M678 HydrophobicContact CE-CE 3.32Å; M613-M678 HydrophobicContact CE-SD 3.94Å; M613-M678 HydrophobicContact CG-CE 3.85Å; M613-M678 HydrophobicContact SD-CE 3.62Å; V676-M678 HydrophobicContact CG1-CG 4.13Å; M678-W701 WeakPolarHBondContact CA-O 3.5Å; M678-W701 HydrophobicContact CE-CE3 4.43Å; M678-W701 HydrophobicContact CE-CZ3 4.08Å; M678-W701 HydrophobicContact CG-CE3 4.3Å; M678-W701 HydrophobicContact SD-CE3 4.48Å; M678-W701 HydrophobicContact SD-CZ3 4.37Å; M678-L702 HydrophobicContact CE-CD2 4.32Å; M678-G703 VanDerWaalsContact O-CA 3.25Å; M678-G703 WeakPolarHBondContact O-CA 3.07Å
679	N	97.7	Very high	96.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.153	C	C	.	.			trans	-115.5	-37.9	180	-71.3	117.7	0	0	0	113.1	S601 S602 D603 N677 Y681 T682 A685 Y704	S601-N679 VanDerWaalsContact CA-OD1 3.23Å; S601-N679 WeakPolarHBondContact CA-OD1 3.38Å; S602-N679 PolarHBondContact N-OD1 3.15Å; S602-N679 PolarHBondContact OG-ND2 2.91Å; D603-N679 PolarHBondContact OD2-ND2 2.84Å; D603-N679 VanDerWaalsContact OD2-ND2 3.13Å; N677-N679 PolarHBondContact OD1-N 3.31Å; N679-Y681 PolarHBondContact O-N 3.03Å; N679-Y681 VanDerWaalsContact O-N 3.11Å; N679-T682 WeakPolarHBondContact CA-OG1 3.45Å; N679-T682 WeakPolarHBondContact CB-OG1 3.19Å; N679-T682 PolarHBondContact ND2-OG1 3.37Å; N679-T682 WeakPolarHBondContact O-CB 3.47Å; N679-T682 WeakPolarHBondContact O-CG2 3.32Å; N679-T682 PolarHBondContact O-N 3Å; N679-T682 PolarHBondContact O-OG1 2.86Å; N679-A685 VanDerWaalsContact CB-CA 3.47Å; N679-A685 HydrophobicContact CB-CB 3.42Å; N679-A685 VanDerWaalsContact CB-CB 3.42Å; N679-Y704 WeakPolarHBondContact O-CB 3.38Å
680	G	96.3	Very high	96.5	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.01	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	-111.9	-172.2	0	0	0	0	0	112.7	N677 A685 N687	N677-G680 PolarHBondContact OD1-N 3.23Å; G680-A685 WeakPolarHBondContact O-CB 3.33Å; G680-N687 PolarHBondContact O-ND2 2.9Å; G680-N687 PolarHBondContact O-OD1 3.35Å
681	Y	96.6	Very high	96.6	Very high	13 Å²	13	25.3 Å²	25.3	5%	0.051	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	29.5	175.7	-69	-67.4	0	0	0	113.2	H546 P547 A564 H567 A568 N679 Y704 S708	H546-Y681 PolarHBondContact CE1-O 3.04Å; H546-Y681 VanDerWaalsContact CE1-O 3.23Å; P547-Y681 HydrophobicContact CB-CD1 4.33Å; P547-Y681 HydrophobicContact CB-CD2 3.44Å; P547-Y681 VanDerWaalsContact CB-CD2 3.44Å; P547-Y681 HydrophobicContact CB-CE2 4Å; P547-Y681 HydrophobicContact CB-CG 3.63Å; P547-Y681 HydrophobicContact CG-CD1 3.89Å; P547-Y681 HydrophobicContact CG-CD2 3.75Å; P547-Y681 HydrophobicContact CG-CE1 4.13Å; P547-Y681 HydrophobicContact CG-CE2 3.96Å; P547-Y681 HydrophobicContact CG-CG 3.71Å; A564-Y681 HydrophobicContact CB-CE2 3.94Å; A564-Y681 PolarHBondContact O-OH 2.88Å; H567-Y681 HydrophobicContact CB-CD1 4.47Å; H567-Y681 HydrophobicContact CB-CE1 3.62Å; A568-Y681 PolarHBondContact N-OH 3.33Å; N679-Y681 PolarHBondContact O-N 3.03Å; N679-Y681 VanDerWaalsContact O-N 3.11Å; Y681-Y704 HydrophobicContact CD2-CD1 4.41Å; Y681-Y704 AromaticContact CD2-CE1 3.76Å; Y681-Y704 HydrophobicContact CD2-CE1 3.76Å; Y681-Y704 AromaticContact CD2-CZ 3.84Å; Y681-S708 WeakPolarHBondContact CE2-O 3.23Å; Y681-S708 PolarHBondContact OH-O 3.35Å
682	T	93.4	Very high	96.6	Very high	31 Å²	31	18.3 Å²	18.3	19%	0.19	10%	0.097	C	C	.	.	S	Bend	trans	-83.9	171	165.7	61.7	0	0	0	0	111	N679 G684 G703	N679-T682 WeakPolarHBondContact CA-OG1 3.45Å; N679-T682 WeakPolarHBondContact CB-OG1 3.19Å; N679-T682 PolarHBondContact ND2-OG1 3.37Å; N679-T682 WeakPolarHBondContact O-CB 3.47Å; N679-T682 WeakPolarHBondContact O-CG2 3.32Å; N679-T682 PolarHBondContact O-N 3Å; N679-T682 PolarHBondContact O-OG1 2.86Å; T682-G684 PolarHBondContact O-N 2.92Å; T682-G703 WeakPolarHBondContact CG2-O 3.47Å
683	K	89.4	Confident	96.5	Very high	168 Å²	168	21.2 Å²	21.2	73%	0.73	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	132	-178	-173	176.3	-178.9	178.1	0	109.7	S602	S602-K683 PolarHBondContact OG-O 3.46Å; S602-K683 VanDerWaalsContact OG-O 3.09Å
684	G	90.8	Very high	96.5	Very high	37 Å²	37	21.2 Å²	21.2	38%	0.381	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	7.3	176.1	0	0	0	0	0	115.9	L632 T682 R686	L632-G684 VanDerWaalsContact CD1-O 3.25Å; L632-G684 WeakPolarHBondContact CD1-O 3.29Å; T682-G684 PolarHBondContact O-N 2.92Å; G684-R686 PolarHBondContact O-N 2.73Å
685	A	93.1	Very high	96.5	Very high	8 Å²	8	21.2 Å²	21.2	7%	0.066	11%	0.109	C	C	.	.			trans	-62.9	-30	-172.6	0	0	0	0	0	116.9	N679 G680 N687	N679-A685 VanDerWaalsContact CB-CA 3.47Å; N679-A685 HydrophobicContact CB-CB 3.42Å; N679-A685 VanDerWaalsContact CB-CB 3.42Å; G680-A685 WeakPolarHBondContact O-CB 3.33Å; A685-N687 PolarHBondContact O-N 2.99Å
686	R	94.7	Very high	96.5	Very high	41 Å²	41	21.8 Å²	21.8	16%	0.155	11%	0.112	C	C	.	.			trans	46.4	54.1	-178	-60.7	177.8	62.4	179.5	2.5	113.3	L632 L654 T657 L658 N660 G684 E688 I689	L632-R686 HydrophobicContact CD1-CB 4.05Å; L632-R686 HydrophobicContact CD1-CG 4.22Å; L654-R686 PolarHBondContact O-NH1 3.01Å; L654-R686 VanDerWaalsContact O-NH1 3.15Å; T657-R686 VanDerWaalsContact O-CZ 3.25Å; T657-R686 PolarHBondContact O-NH1 3.32Å; T657-R686 PolarHBondContact O-NH2 2.98Å; L658-R686 PolarHBondContact O-NH2 3.48Å; N660-R686 PolarHBondContact OD1-NE 2.96Å; N660-R686 PolarHBondContact OD1-NH2 3.44Å; G684-R686 PolarHBondContact O-N 2.73Å; R686-E688 PolarHBondContact O-N 3.27Å; R686-I689 HydrophobicContact CB-CD1 3.87Å; R686-I689 HydrophobicContact CB-CG1 4.28Å; R686-I689 WeakPolarHBondContact O-CB 3.5Å; R686-I689 PolarHBondContact O-N 3.04Å
687	N	97.6	Very high	96.5	Very high	14 Å²	14	22 Å²	22	8%	0.075	11%	0.114	C	C	.	.	H	α-helix	trans	-61.8	-17.1	-176.2	-71.3	-36.2	0	0	0	113.7	N677 G680 A685 I689 F690 A691	N677-N687 PolarHBondContact ND2-OD1 3.35Å; G680-N687 PolarHBondContact O-ND2 2.9Å; G680-N687 PolarHBondContact O-OD1 3.35Å; A685-N687 PolarHBondContact O-N 2.99Å; N687-I689 PolarHBondContact O-N 3.41Å; N687-F690 WeakPolarHBondContact O-CB 3.48Å; N687-F690 PolarHBondContact O-N 3.47Å; N687-A691 PolarHBondContact O-N 2.96Å
688	E	95.2	Very high	96.5	Very high	33 Å²	33	22 Å²	22	15%	0.154	11%	0.113	C	C	.	.	H	α-helix	trans	-57.1	-33.4	170.5	-63.7	88.3	165.2	0	0	112.6	C571 K574 V575 N660 R686 F690 A691 L692	C571-E688 HydrophobicContact CB-CG 4.29Å; K574-E688 HydrophobicContact CB-CG 4.46Å; V575-E688 HydrophobicContact CG1-CB 3.64Å; V575-E688 HydrophobicContact CG1-CG 4.1Å; N660-E688 HydrophobicContact CB-CB 3.99Å; N660-E688 WeakPolarHBondContact ND2-CB 3.42Å; R686-E688 PolarHBondContact O-N 3.27Å; E688-F690 VanDerWaalsContact C-N 3.29Å; E688-F690 PolarHBondContact O-N 3.31Å; E688-A691 PolarHBondContact O-N 3.04Å; E688-L692 WeakPolarHBondContact O-CG 3.42Å; E688-L692 PolarHBondContact O-N 2.89Å; E688-L692 VanDerWaalsContact O-N 3.13Å
689	I	97.9	Very high	96.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.7	-42.6	174.3	-63.4	172.7	0	0	0	110.1	L632 N660 A663 A664 I667 R686 N687 L692 P694	L632-I689 HydrophobicContact CD2-CD1 3.96Å; N660-I689 HydrophobicContact CB-CG1 4.15Å; A663-I689 HydrophobicContact CB-CD1 3.72Å; A663-I689 HydrophobicContact CB-CG1 4.04Å; A664-I689 HydrophobicContact CB-CG2 4.33Å; I667-I689 HydrophobicContact CD1-CG2 3.62Å; R686-I689 HydrophobicContact CB-CD1 3.87Å; R686-I689 HydrophobicContact CB-CG1 4.28Å; R686-I689 WeakPolarHBondContact O-CB 3.5Å; R686-I689 PolarHBondContact O-N 3.04Å; N687-I689 PolarHBondContact O-N 3.41Å; I689-L692 PolarHBondContact O-N 3.38Å; I689-P694 HydrophobicContact CG2-CG 4.41Å; I689-P694 WeakPolarHBondContact O-CD 3.44Å
690	F	98.7	Very high	96.6	Very high	1 Å²	1	22.1 Å²	22.1	0%	0.004	11%	0.114	C	C	.	.	H	α-helix	trans	-74.7	-33.5	178.7	-67.1	-90.7	0	0	0	112.1	V600 L675 N677 N687 E688 L692 R693 Q698 F712 M713	V600-F690 HydrophobicContact CB-CE2 4.28Å; V600-F690 HydrophobicContact CB-CZ 3.8Å; V600-F690 HydrophobicContact CG1-CE2 4.3Å; V600-F690 HydrophobicContact CG1-CZ 4.3Å; V600-F690 HydrophobicContact CG2-CZ 3.83Å; L675-F690 HydrophobicContact CB-CE1 4.45Å; L675-F690 HydrophobicContact CD2-CD1 3.85Å; L675-F690 HydrophobicContact CD2-CE1 3.56Å; L675-F690 HydrophobicContact CD2-CZ 4.23Å; L675-F690 HydrophobicContact CG-CD1 4.4Å; L675-F690 HydrophobicContact CG-CE1 3.69Å; L675-F690 HydrophobicContact CG-CZ 4.32Å; N677-F690 VanDerWaalsContact CA-CZ 3.48Å; N677-F690 HydrophobicContact CB-CD1 4.21Å; N677-F690 HydrophobicContact CB-CE1 3.57Å; N677-F690 HydrophobicContact CB-CE2 3.93Å; N677-F690 HydrophobicContact CB-CZ 3.41Å; N677-F690 VanDerWaalsContact CB-CZ 3.41Å; N677-F690 WeakPolarHBondContact ND2-CD2 3.21Å; N677-F690 WeakPolarHBondContact ND2-CE2 3.25Å; N687-F690 WeakPolarHBondContact O-CB 3.48Å; N687-F690 PolarHBondContact O-N 3.47Å; E688-F690 VanDerWaalsContact C-N 3.29Å; E688-F690 PolarHBondContact O-N 3.31Å; F690-L692 PolarHBondContact O-N 2.86Å; F690-R693 PolarHBondContact O-N 3.43Å; F690-Q698 HydrophobicContact CD1-CB 4.4Å; F690-Q698 PolarHBondContact O-NE2 2.93Å; F690-Q698 PolarHBondContact O-OE1 3.32Å; F690-F712 HydrophobicContact CB-CD2 3.84Å; F690-F712 HydrophobicContact CB-CE2 3.87Å; F690-M713 HydrophobicContact CB-CE 4.48Å; F690-M713 HydrophobicContact CD1-CE 4.23Å; F690-M713 HydrophobicContact CG-CE 4.38Å
691	A	98	Very high	96.7	Very high	10 Å²	10	22.2 Å²	22.2	8%	0.083	11%	0.114	C	C	.	.	H	α-helix	trans	-61.8	-31.9	174.6	0	0	0	0	0	112.2	C571 L572 V575 N687 E688 R693 F712	C571-A691 HydrophobicContact CB-CB 4.22Å; L572-A691 HydrophobicContact CD2-CB 4.18Å; V575-A691 HydrophobicContact CG1-CB 4.29Å; V575-A691 HydrophobicContact CG2-CB 3.91Å; N687-A691 PolarHBondContact O-N 2.96Å; E688-A691 PolarHBondContact O-N 3.04Å; A691-R693 PolarHBondContact O-N 3.08Å; A691-F712 HydrophobicContact CB-CD1 3.89Å; A691-F712 HydrophobicContact CB-CE1 3.75Å; A691-F712 HydrophobicContact CB-CE2 4.48Å; A691-F712 HydrophobicContact CB-CG 4.31Å; A691-F712 HydrophobicContact CB-CZ 4.06Å
692	L	97.5	Very high	96.6	Very high	21 Å²	21	22.1 Å²	22.1	11%	0.11	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-8.2	172.6	-73.1	169.9	0	0	0	114.1	V575 L578 K580 Y583 A664 E688 I689 F690	V575-L692 HydrophobicContact CB-CD2 3.81Å; V575-L692 HydrophobicContact CB-CG 4.01Å; V575-L692 HydrophobicContact CG1-CD1 4.45Å; V575-L692 HydrophobicContact CG1-CD2 4.29Å; V575-L692 HydrophobicContact CG1-CG 3.94Å; V575-L692 HydrophobicContact CG2-CD2 4.31Å; L578-L692 HydrophobicContact CD1-CD1 4.44Å; K580-L692 HydrophobicContact CB-CD2 4.4Å; K580-L692 HydrophobicContact CD-CD2 4.17Å; Y583-L692 WeakPolarHBondContact CD2-O 3.3Å; Y583-L692 HydrophobicContact CE2-CB 4.28Å; Y583-L692 WeakPolarHBondContact CE2-O 3.23Å; A664-L692 HydrophobicContact CB-CB 4Å; A664-L692 HydrophobicContact CB-CD1 3.71Å; E688-L692 WeakPolarHBondContact O-CG 3.42Å; E688-L692 PolarHBondContact O-N 2.89Å; E688-L692 VanDerWaalsContact O-N 3.13Å; I689-L692 PolarHBondContact O-N 3.38Å; F690-L692 PolarHBondContact O-N 2.86Å
693	R	98.1	Very high	96.4	Very high	62 Å²	62	21.6 Å²	21.6	23%	0.234	12%	0.115	C	C	.	.			trans	49.4	63.4	178	-73.2	-80.7	-161.9	170.5	-3.5	112.9	Y583 H585 F690 A691 A695 S711 F712 D714	Y583-R693 WeakPolarHBondContact CD2-O 3.46Å; H585-R693 PolarHBondContact CE1-O 3.03Å; F690-R693 PolarHBondContact O-N 3.43Å; A691-R693 PolarHBondContact O-N 3.08Å; R693-A695 VanDerWaalsContact C-N 3.29Å; R693-A695 PolarHBondContact O-N 3.49Å; R693-S711 PolarHBondContact NH2-O 3.26Å; R693-F712 HydrophobicContact CG-CB 4.18Å; R693-F712 VanDerWaalsContact CZ-CA 3.46Å; R693-F712 VanDerWaalsContact NE-CA 3.28Å; R693-F712 PolarHBondContact NE-O 2.88Å; R693-F712 PolarHBondContact NH1-O 3.21Å; R693-F712 PolarHBondContact NH2-O 3.3Å; R693-D714 IonicContact CZ-OD1 3.09Å; R693-D714 IonicContact CZ-OD2 3.35Å; R693-D714 IonicContact NH1-OD1 3.57Å; R693-D714 PolarHBondContact NH1-OD1 3.43Å; R693-D714 IonicContact NH1-OD2 2.62Å; R693-D714 PolarHBondContact NH1-OD2 2.89Å; R693-D714 IonicContact NH2-OD1 3.7Å; R693-D714 PolarHBondContact NH2-OD1 3.39Å; R693-D714 IonicContact NH2-OD2 3.2Å
694	P	98.5	Very high	96.7	Very high	4 Å²	4	14.3 Å²	14.3	3%	0.026	8%	0.083	C	C	.	.			trans	-73.1	-17.9	175.8	28.2	-36	0	0	0	114	Y583 A664 I667 A668 L675 I689	Y583-P694 HydrophobicContact CD2-CB 4.33Å; Y583-P694 HydrophobicContact CE2-CB 4.18Å; A664-P694 HydrophobicContact CB-CB 4.2Å; A664-P694 HydrophobicContact CB-CG 4.24Å; A664-P694 WeakPolarHBondContact O-CB 3.22Å; I667-P694 HydrophobicContact CB-CB 4.06Å; I667-P694 HydrophobicContact CB-CG 4.23Å; I667-P694 HydrophobicContact CG2-CB 3.91Å; I667-P694 HydrophobicContact CG2-CG 3.93Å; A668-P694 HydrophobicContact CB-CB 4.08Å; L675-P694 HydrophobicContact CD2-CG 3.87Å; I689-P694 HydrophobicContact CG2-CG 4.41Å; I689-P694 WeakPolarHBondContact O-CD 3.44Å
695	A	98.8	Very high	96.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	-123.5	150.3	177.1	0	0	0	0	0	111.3	I672 L675 R693 I697	I672-A695 HydrophobicContact CB-CB 4.33Å; I672-A695 HydrophobicContact CG2-CB 4.25Å; L675-A695 HydrophobicContact CB-CB 3.6Å; L675-A695 HydrophobicContact CD2-CB 4.46Å; R693-A695 VanDerWaalsContact C-N 3.29Å; R693-A695 PolarHBondContact O-N 3.49Å; A695-I697 VanDerWaalsContact C-N 3.35Å; A695-I697 PolarHBondContact O-N 3.35Å
696	P	98.3	Very high	96.9	Very high	12 Å²	12	13.4 Å²	13.4	8%	0.078	7%	0.071	C	C	.	.	S	Bend	trans	-68.8	-31.9	-177.8	22.4	-28.7	0	0	0	113.8	H585 I672 H673 W1065 Y1068	H585-P696 HydrophobicContact CB-CB 3.81Å; H585-P696 HydrophobicContact CB-CG 4.04Å; I672-P696 WeakPolarHBondContact O-CD 3.39Å; H673-P696 WeakPolarHBondContact O-CG 3.16Å; P696-W1065 HydrophobicContact CG-CZ3 4.25Å; P696-Y1068 HydrophobicContact CB-CD1 4.45Å; P696-Y1068 HydrophobicContact CB-CD2 3.99Å; P696-Y1068 HydrophobicContact CB-CE1 3.86Å; P696-Y1068 HydrophobicContact CB-CE2 3.33Å; P696-Y1068 WeakPolarHBondContact CB-OH 3.33Å; P696-Y1068 HydrophobicContact CG-CE1 4.07Å; P696-Y1068 HydrophobicContact CG-CE2 4.39Å
697	I	98.8	Very high	97.1	Very high	5 Å²	5	12 Å²	12	3%	0.026	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123.6	178	-54.2	175.1	0	0	0	108.1	H673 I674 L675 A695 V699 D714 Y715 M1064 W1065 Y1068	H673-I697 PolarHBondContact O-N 3.27Å; I674-I697 WeakPolarHBondContact CA-O 3.38Å; I674-I697 HydrophobicContact CG1-CB 4.17Å; I674-I697 HydrophobicContact CG1-CD1 4.15Å; I674-I697 HydrophobicContact CG1-CG2 4.36Å; I674-I697 HydrophobicContact CG2-CG2 4.42Å; L675-I697 PolarHBondContact N-O 3.28Å; A695-I697 VanDerWaalsContact C-N 3.35Å; A695-I697 PolarHBondContact O-N 3.35Å; I697-V699 HydrophobicContact CG2-CG2 3.92Å; I697-D714 WeakPolarHBondContact CA-OD2 3.32Å; I697-Y715 HydrophobicContact CG2-CD2 3.82Å; I697-Y715 HydrophobicContact CG2-CE2 3.92Å; I697-M1064 HydrophobicContact CD1-CB 4.22Å; I697-W1065 HydrophobicContact CD1-CE3 4.14Å; I697-Y1068 HydrophobicContact CD1-CG 4.16Å; I697-Y1068 HydrophobicContact CG1-CD2 4.34Å; I697-Y1068 HydrophobicContact CG1-CG 4.16Å
698	Q	98.8	Very high	97.1	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	134.6	177	-54	-165.2	150.2	0	0	110.9	L675 F690 F712 M713 D714 Y715	L675-Q698 CarbonylContact O-C 3.58Å; L675-Q698 VanDerWaalsContact O-CA 3.32Å; L675-Q698 WeakPolarHBondContact O-CA 3.3Å; F690-Q698 HydrophobicContact CD1-CB 4.4Å; F690-Q698 PolarHBondContact O-NE2 2.93Å; F690-Q698 PolarHBondContact O-OE1 3.32Å; Q698-F712 PolarHBondContact NE2-O 2.97Å; Q698-M713 HydrophobicContact CB-SD 3.91Å; Q698-D714 PolarHBondContact N-OD2 2.94Å; Q698-D714 PolarHBondContact O-N 3.24Å; Q698-Y715 PolarHBondContact O-N 3.23Å
699	V	98.8	Very high	97.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	135.8	-164.4	-175.2	0	0	0	0	111	I674 L675 V676 N677 I697 Y715 I717 M1064	I674-V699 HydrophobicContact CG2-CG2 3.64Å; L675-V699 PolarHBondContact O-N 3.03Å; V676-V699 CarbonylContact C-O 3.47Å; V676-V699 WeakPolarHBondContact CA-O 3.42Å; V676-V699 HydrophobicContact CG2-CB 4.5Å; N677-V699 PolarHBondContact N-O 3.17Å; I697-V699 HydrophobicContact CG2-CG2 3.92Å; V699-Y715 CarbonylContact C-O 3.57Å; V699-Y715 WeakPolarHBondContact CA-O 3.36Å; V699-Y715 HydrophobicContact CG2-CD2 4.45Å; V699-I717 HydrophobicContact CG1-CD1 3.75Å; V699-I717 HydrophobicContact CG1-CG1 3.55Å; V699-M1064 HydrophobicContact CG1-CE 4.28Å; V699-M1064 HydrophobicContact CG2-CE 4.37Å; V699-M1064 HydrophobicContact CG2-SD 3.96Å
700	M	98.6	Very high	97.3	Very high	3 Å²	3	10.6 Å²	10.6	2%	0.015	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	132.3	167.8	-69.1	-73.3	-65.3	0	0	110.4	N677 Y704 M713 Y715 I716 I717	N677-M700 HydrophobicContact CB-SD 3.79Å; M700-Y704 HydrophobicContact CE-CD1 3.72Å; M700-Y704 HydrophobicContact CE-CG 4.4Å; M700-M713 HydrophobicContact CG-CE 3.94Å; M700-M713 HydrophobicContact CG-CG 3.46Å; M700-M713 VanDerWaalsContact CG-CG 3.46Å; M700-M713 HydrophobicContact CG-SD 3.8Å; M700-M713 HydrophobicContact SD-CE 3.54Å; M700-M713 VanDerWaalsContact SD-CE 3.54Å; M700-M713 HydrophobicContact SD-CG 4.33Å; M700-M713 HydrophobicContact SD-SD 4.17Å; M700-Y715 PolarHBondContact N-O 3.35Å; M700-I716 HydrophobicContact CB-CB 4.13Å; M700-I716 HydrophobicContact CB-CD1 4.34Å; M700-I716 HydrophobicContact CB-CG1 3.91Å; M700-I716 WeakPolarHBondContact O-CA 2.84Å; M700-I717 PolarHBondContact O-N 3.18Å
701	W	98.5	Very high	97.2	Very high	4 Å²	4	15 Å²	15	2%	0.015	10%	0.096	C	C	.	.			trans	-152.3	142.4	173.5	177	57.4	0	0	0	113.2	Y599 M613 V616 V676 N677 M678 G703 I717 F742 I744 Y1053 M1057	Y599-W701 HydrophobicContact CD1-CE3 4.21Å; Y599-W701 HydrophobicContact CD1-CZ3 4.03Å; Y599-W701 AromaticContact CE1-CE3 3.86Å; Y599-W701 HydrophobicContact CE1-CE3 3.86Å; Y599-W701 AromaticContact CE1-CZ3 3.62Å; Y599-W701 HydrophobicContact CE1-CZ3 3.62Å; M613-W701 HydrophobicContact CB-CH2 4.09Å; M613-W701 HydrophobicContact CE-CH2 3.99Å; M613-W701 HydrophobicContact CE-CZ3 3.72Å; M613-W701 HydrophobicContact CG-CH2 4.4Å; V616-W701 HydrophobicContact CG1-CH2 4.13Å; V616-W701 HydrophobicContact CG2-CH2 4.44Å; V676-W701 HydrophobicContact CG1-CB 3.71Å; V676-W701 HydrophobicContact CG1-CE3 4.05Å; N677-W701 PolarHBondContact O-N 2.96Å; M678-W701 WeakPolarHBondContact CA-O 3.5Å; M678-W701 HydrophobicContact CE-CE3 4.43Å; M678-W701 HydrophobicContact CE-CZ3 4.08Å; M678-W701 HydrophobicContact CG-CE3 4.3Å; M678-W701 HydrophobicContact SD-CE3 4.48Å; M678-W701 HydrophobicContact SD-CZ3 4.37Å; W701-G703 PolarHBondContact O-N 3.22Å; W701-I717 HydrophobicContact CB-CB 4.15Å; W701-I717 HydrophobicContact CB-CD1 4.15Å; W701-I717 HydrophobicContact CB-CG1 4.47Å; W701-I717 HydrophobicContact CG-CB 4.16Å; W701-I717 HydrophobicContact CG-CD1 4.2Å; W701-I717 HydrophobicContact CG-CG2 4.42Å; W701-F742 PolarHBondContact NE1-O 2.97Å; W701-I744 HydrophobicContact CZ2-CG2 4.07Å; W701-Y1053 HydrophobicContact CH2-CE1 4.4Å; W701-Y1053 AromaticContact CZ2-CE1 3.65Å; W701-Y1053 HydrophobicContact CZ2-CE1 3.65Å; W701-Y1053 AromaticContact CZ2-CZ 3.9Å; W701-Y1053 WeakPolarHBondContact CZ2-OH 3.48Å; W701-Y1053 PolarHBondContact NE1-OH 3.42Å; W701-M1057 HydrophobicContact CH2-SD 4.31Å; W701-M1057 HydrophobicContact CZ2-SD 4.16Å
702	L	94.6	Very high	97.2	Very high	11 Å²	11	14.8 Å²	14.8	6%	0.058	9%	0.093	C	C	.	.	S	Bend	trans	67.6	-64.2	168.1	-164.2	66.7	0	0	0	117.3	T609 L612 M613 M678 Y704 F743	T609-L702 HydrophobicContact CG2-CD2 4.41Å; L612-L702 HydrophobicContact CB-CD2 4.39Å; L612-L702 HydrophobicContact CD1-CD1 4.26Å; M613-L702 HydrophobicContact CB-CD2 3.83Å; M613-L702 HydrophobicContact CG-CD2 3.51Å; M678-L702 HydrophobicContact CE-CD2 4.32Å; L702-Y704 PolarHBondContact O-N 2.94Å; L702-F743 HydrophobicContact CD1-CD2 3.96Å; L702-F743 HydrophobicContact CD1-CE2 4.02Å; L702-F743 HydrophobicContact CD1-CG 4.49Å
703	G	90.2	Very high	97.3	Very high	20 Å²	20	14.1 Å²	14.1	21%	0.206	9%	0.089	C	C	.	.	S	Bend	trans	-79	-16.3	-161.4	0	0	0	0	0	116.3	M678 T682 W701	M678-G703 VanDerWaalsContact O-CA 3.25Å; M678-G703 WeakPolarHBondContact O-CA 3.07Å; T682-G703 WeakPolarHBondContact CG2-O 3.47Å; W701-G703 PolarHBondContact O-N 3.22Å
704	Y	95.5	Very high	97.3	Very high	14 Å²	14	12.2 Å²	12.2	6%	0.055	8%	0.083	C	C	.	.			trans	-128.7	118.8	174.7	176.5	-111.1	0	0	0	111.5	P547 H548 M551 N679 Y681 M700 L702 G706 T707	P547-Y704 WeakPolarHBondContact CB-OH 3.48Å; P547-Y704 PolarHBondContact O-OH 3.16Å; H548-Y704 HydrophobicContact CB-CE2 4.22Å; M551-Y704 HydrophobicContact CE-CE2 4.28Å; N679-Y704 WeakPolarHBondContact O-CB 3.38Å; Y681-Y704 HydrophobicContact CD2-CD1 4.41Å; Y681-Y704 AromaticContact CD2-CE1 3.76Å; Y681-Y704 HydrophobicContact CD2-CE1 3.76Å; Y681-Y704 AromaticContact CD2-CZ 3.84Å; M700-Y704 HydrophobicContact CE-CD1 3.72Å; M700-Y704 HydrophobicContact CE-CG 4.4Å; L702-Y704 PolarHBondContact O-N 2.94Å; Y704-G706 VanDerWaalsContact C-N 3.27Å; Y704-G706 WeakPolarHBondContact CD1-O 3.49Å; Y704-G706 VanDerWaalsContact CE1-O 3.24Å; Y704-G706 WeakPolarHBondContact CE1-O 3.48Å; Y704-G706 PolarHBondContact O-N 3.37Å; Y704-T707 WeakPolarHBondContact CE1-O 3.4Å
705	P	93.5	Very high	97.3	Very high	16 Å²	16	12.2 Å²	12.2	10%	0.104	8%	0.083	C	C	.	.			trans	-87.6	59.2	-174.7	36.4	-37.1	0	0	0	111.6	M551 F992 A993	M551-P705 HydrophobicContact CE-CG 3.78Å; M551-P705 HydrophobicContact SD-CG 4.36Å; P705-F992 VanDerWaalsContact CA-CD1 3.42Å; P705-F992 HydrophobicContact CB-CD1 3.58Å; P705-F992 HydrophobicContact CB-CE1 3.93Å; P705-A993 HydrophobicContact CB-CB 4.04Å; P705-A993 HydrophobicContact CG-CB 4.01Å
706	G	95.3	Very high	97.3	Very high	10 Å²	10	12.3 Å²	12.3	10%	0.103	8%	0.084	C	C	.	.	S	Bend	trans	-173.4	171.5	180	0	0	0	0	0	114.5	Y704	Y704-G706 VanDerWaalsContact C-N 3.27Å; Y704-G706 WeakPolarHBondContact CD1-O 3.49Å; Y704-G706 VanDerWaalsContact CE1-O 3.24Å; Y704-G706 WeakPolarHBondContact CE1-O 3.48Å; Y704-G706 PolarHBondContact O-N 3.37Å
707	T	98.2	Very high	97.3	Very high	11 Å²	11	11.8 Å²	11.8	7%	0.067	8%	0.08	C	C	.	.			trans	-64	137.9	175.4	-178.4	0	0	0	0	111.9	K561 A564 Y704 G709 S732 E733	K561-T707 HydrophobicContact CB-CG2 4.38Å; A564-T707 HydrophobicContact CB-CG2 4.11Å; A564-T707 WeakPolarHBondContact CB-O 3.46Å; Y704-T707 WeakPolarHBondContact CE1-O 3.4Å; T707-G709 PolarHBondContact OG1-N 2.7Å; T707-S732 PolarHBondContact OG1-N 3.19Å; T707-S732 VanDerWaalsContact OG1-N 3.13Å; T707-S732 PolarHBondContact OG1-OG 3.47Å; T707-E733 PolarHBondContact OG1-OE2 2.57Å
708	S	98.2	Very high	97.3	Very high	5 Å²	5	11.5 Å²	11.5	4%	0.035	8%	0.079	C	C	.	.			trans	-71.4	-21.7	169.6	68.6	0	0	0	0	111.9	Y681 A710 M713 E733	Y681-S708 WeakPolarHBondContact CE2-O 3.23Å; Y681-S708 PolarHBondContact OH-O 3.35Å; S708-A710 PolarHBondContact O-N 2.97Å; S708-A710 VanDerWaalsContact O-N 3.1Å; S708-A710 WeakPolarHBondContact OG-CB 3.38Å; S708-A710 PolarHBondContact OG-N 3.4Å; S708-A710 VanDerWaalsContact OG-N 3.16Å; S708-M713 WeakPolarHBondContact OG-CB 3.22Å; S708-E733 WeakPolarHBondContact CA-OE1 3.43Å; S708-E733 WeakPolarHBondContact CB-OE1 3.4Å; S708-E733 PolarHBondContact N-OE1 3.02Å; S708-E733 PolarHBondContact OG-OE1 3.36Å
709	G	98.2	Very high	97.2	Very high	11 Å²	11	11.7 Å²	11.7	11%	0.113	8%	0.079	C	C	.	.			trans	64.5	4.4	-171.5	0	0	0	0	0	113.6	A565 T707 S732	A565-G709 VanDerWaalsContact CA-O 3.32Å; A565-G709 WeakPolarHBondContact CA-O 3.4Å; A565-G709 WeakPolarHBondContact CB-O 3.4Å; T707-G709 PolarHBondContact OG1-N 2.7Å; G709-S732 WeakPolarHBondContact CA-OG 3.37Å; G709-S732 PolarHBondContact N-OG 3.41Å
710	A	98.3	Very high	97.1	Very high	2 Å²	2	17.7 Å²	17.7	2%	0.017	11%	0.107	C	C	.	.			trans	-93.3	133.9	-168.4	0	0	0	0	0	111.9	A568 S708 F712 M713 S732	A568-A710 HydrophobicContact CB-CB 3.58Å; S708-A710 PolarHBondContact O-N 2.97Å; S708-A710 VanDerWaalsContact O-N 3.1Å; S708-A710 WeakPolarHBondContact OG-CB 3.38Å; S708-A710 PolarHBondContact OG-N 3.4Å; S708-A710 VanDerWaalsContact OG-N 3.16Å; A710-F712 HydrophobicContact CB-CD1 3.87Å; A710-F712 HydrophobicContact CB-CD2 3.76Å; A710-F712 HydrophobicContact CB-CE1 3.64Å; A710-F712 HydrophobicContact CB-CE2 3.51Å; A710-F712 HydrophobicContact CB-CG 3.94Å; A710-F712 HydrophobicContact CB-CZ 3.45Å; A710-F712 VanDerWaalsContact CB-CZ 3.45Å; A710-F712 PolarHBondContact O-N 3.34Å; A710-M713 HydrophobicContact CB-CB 4.16Å; A710-M713 PolarHBondContact O-N 2.95Å; A710-S732 PolarHBondContact N-OG 3.02Å
711	S	97.2	Very high	96.9	Very high	95 Å²	95	18.9 Å²	18.9	66%	0.664	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-16.6	168.3	57.9	0	0	0	0	112.8	R693 M713	R693-S711 PolarHBondContact NH2-O 3.26Å; S711-M713 VanDerWaalsContact C-N 3.34Å
712	F	97.9	Very high	96.9	Very high	5 Å²	5	18.7 Å²	18.7	2%	0.022	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	5.5	177.7	56	-101.5	0	0	0	114	A568 C571 L572 F690 A691 R693 Q698 A710	A568-F712 HydrophobicContact CB-CE1 4.04Å; A568-F712 HydrophobicContact CB-CZ 4.15Å; C571-F712 HydrophobicContact CB-CZ 4.41Å; L572-F712 HydrophobicContact CD1-CD1 4.31Å; L572-F712 HydrophobicContact CD1-CE1 4.5Å; L572-F712 HydrophobicContact CD2-CD1 3.93Å; L572-F712 HydrophobicContact CD2-CE1 4.4Å; L572-F712 HydrophobicContact CG-CD1 4.01Å; L572-F712 HydrophobicContact CG-CE1 4.05Å; F690-F712 HydrophobicContact CB-CD2 3.84Å; F690-F712 HydrophobicContact CB-CE2 3.87Å; A691-F712 HydrophobicContact CB-CD1 3.89Å; A691-F712 HydrophobicContact CB-CE1 3.75Å; A691-F712 HydrophobicContact CB-CE2 4.48Å; A691-F712 HydrophobicContact CB-CG 4.31Å; A691-F712 HydrophobicContact CB-CZ 4.06Å; R693-F712 HydrophobicContact CG-CB 4.18Å; R693-F712 VanDerWaalsContact CZ-CA 3.46Å; R693-F712 VanDerWaalsContact NE-CA 3.28Å; R693-F712 PolarHBondContact NE-O 2.88Å; R693-F712 PolarHBondContact NH1-O 3.21Å; R693-F712 PolarHBondContact NH2-O 3.3Å; Q698-F712 PolarHBondContact NE2-O 2.97Å; A710-F712 HydrophobicContact CB-CD1 3.87Å; A710-F712 HydrophobicContact CB-CD2 3.76Å; A710-F712 HydrophobicContact CB-CE1 3.64Å; A710-F712 HydrophobicContact CB-CE2 3.51Å; A710-F712 HydrophobicContact CB-CG 3.94Å; A710-F712 HydrophobicContact CB-CZ 3.45Å; A710-F712 VanDerWaalsContact CB-CZ 3.45Å; A710-F712 PolarHBondContact O-N 3.34Å
713	M	98.7	Very high	97	Very high	7 Å²	7	18.1 Å²	18.1	3%	0.034	11%	0.113	C	C	.	.			trans	-117.7	119.5	179	-160.2	68.3	71.6	0	0	110	N677 F690 Q698 M700 S708 A710 S711 E733	N677-M713 HydrophobicContact CB-CE 3.82Å; N677-M713 HydrophobicContact CB-SD 4.45Å; F690-M713 HydrophobicContact CB-CE 4.48Å; F690-M713 HydrophobicContact CD1-CE 4.23Å; F690-M713 HydrophobicContact CG-CE 4.38Å; Q698-M713 HydrophobicContact CB-SD 3.91Å; M700-M713 HydrophobicContact CG-CE 3.94Å; M700-M713 HydrophobicContact CG-CG 3.46Å; M700-M713 VanDerWaalsContact CG-CG 3.46Å; M700-M713 HydrophobicContact CG-SD 3.8Å; M700-M713 HydrophobicContact SD-CE 3.54Å; M700-M713 VanDerWaalsContact SD-CE 3.54Å; M700-M713 HydrophobicContact SD-CG 4.33Å; M700-M713 HydrophobicContact SD-SD 4.17Å; S708-M713 WeakPolarHBondContact OG-CB 3.22Å; A710-M713 HydrophobicContact CB-CB 4.16Å; A710-M713 PolarHBondContact O-N 2.95Å; S711-M713 VanDerWaalsContact C-N 3.34Å; M713-E733 HydrophobicContact CB-CG 3.97Å; M713-E733 HydrophobicContact CG-CG 3.77Å
714	D	98.8	Very high	97.2	Very high	21 Å²	21	18.5 Å²	18.5	11%	0.112	11%	0.111	C	C	.	.			trans	-88.5	-42.5	-168.8	-52.9	-56.4	0	0	0	111.8	R693 I697 Q698 K734 P1074	R693-D714 IonicContact CZ-OD1 3.09Å; R693-D714 IonicContact CZ-OD2 3.35Å; R693-D714 IonicContact NH1-OD1 3.57Å; R693-D714 PolarHBondContact NH1-OD1 3.43Å; R693-D714 IonicContact NH1-OD2 2.62Å; R693-D714 PolarHBondContact NH1-OD2 2.89Å; R693-D714 IonicContact NH2-OD1 3.7Å; R693-D714 PolarHBondContact NH2-OD1 3.39Å; R693-D714 IonicContact NH2-OD2 3.2Å; I697-D714 WeakPolarHBondContact CA-OD2 3.32Å; Q698-D714 PolarHBondContact N-OD2 2.94Å; Q698-D714 PolarHBondContact O-N 3.24Å; D714-K734 PolarHBondContact O-N 2.97Å; D714-P1074 HydrophobicContact CB-CB 4.2Å; D714-P1074 HydrophobicContact CB-CG 3.85Å
715	Y	98.9	Very high	97.2	Very high	5 Å²	5	22.9 Å²	22.9	2%	0.02	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	153.6	-175.2	-61.5	-85.7	0	0	0	112.8	I697 Q698 V699 M700 K734 A736 M1064 P1074 D1075 I1077	I697-Y715 HydrophobicContact CG2-CD2 3.82Å; I697-Y715 HydrophobicContact CG2-CE2 3.92Å; Q698-Y715 PolarHBondContact O-N 3.23Å; V699-Y715 CarbonylContact C-O 3.57Å; V699-Y715 WeakPolarHBondContact CA-O 3.36Å; V699-Y715 HydrophobicContact CG2-CD2 4.45Å; M700-Y715 PolarHBondContact N-O 3.35Å; Y715-K734 CarbonylContact C-O 2.95Å; Y715-K734 VanDerWaalsContact CA-O 3.23Å; Y715-K734 WeakPolarHBondContact CA-O 3.42Å; Y715-K734 HydrophobicContact CD1-CB 3.71Å; Y715-K734 HydrophobicContact CE1-CB 3.91Å; Y715-A736 HydrophobicContact CD1-CB 4.1Å; Y715-M1064 HydrophobicContact CD1-CE 4.38Å; Y715-M1064 HydrophobicContact CD2-CE 4.38Å; Y715-M1064 HydrophobicContact CD2-CG 4.16Å; Y715-M1064 HydrophobicContact CD2-SD 4.2Å; Y715-M1064 HydrophobicContact CE1-CG 4.48Å; Y715-M1064 HydrophobicContact CE2-CB 4.27Å; Y715-M1064 HydrophobicContact CE2-CG 4.04Å; Y715-M1064 HydrophobicContact CG-CE 4Å; Y715-M1064 HydrophobicContact CG-CG 4.46Å; Y715-M1064 HydrophobicContact CG-SD 4.41Å; Y715-P1074 HydrophobicContact CE1-CB 4.24Å; Y715-P1074 HydrophobicContact CE2-CB 4.03Å; Y715-P1074 HydrophobicContact CE2-CG 4.42Å; Y715-P1074 WeakPolarHBondContact OH-CA 3.25Å; Y715-D1075 VanDerWaalsContact CE1-O 3.31Å; Y715-D1075 WeakPolarHBondContact CE1-O 3.25Å; Y715-I1077 HydrophobicContact CD1-CD1 4.41Å; Y715-I1077 HydrophobicContact CE1-CD1 3.7Å; Y715-I1077 HydrophobicContact CE1-CG1 4.1Å
716	I	98.7	Very high	97.3	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	123.8	161	-175.6	166.2	0	0	0	108.2	M700 T718 Y731 E733 K734 L735 A736 F992	M700-I716 HydrophobicContact CB-CB 4.13Å; M700-I716 HydrophobicContact CB-CD1 4.34Å; M700-I716 HydrophobicContact CB-CG1 3.91Å; M700-I716 WeakPolarHBondContact O-CA 2.84Å; I716-T718 PolarHBondContact O-N 3.01Å; I716-Y731 HydrophobicContact CD1-CD1 4.4Å; I716-Y731 HydrophobicContact CG2-CD1 4.43Å; I716-E733 HydrophobicContact CB-CB 4.02Å; I716-E733 HydrophobicContact CB-CG 4.37Å; I716-E733 HydrophobicContact CG2-CB 3.91Å; I716-K734 PolarHBondContact N-O 3.01Å; I716-L735 HydrophobicContact CG2-CD2 3.49Å; I716-L735 VanDerWaalsContact CG2-CD2 3.49Å; I716-A736 PolarHBondContact O-N 2.93Å; I716-F992 HydrophobicContact CD1-CD2 4.29Å; I716-F992 HydrophobicContact CD1-CE2 3.85Å; I716-F992 HydrophobicContact CD1-CZ 4.47Å; I716-F992 HydrophobicContact CG1-CE2 4.36Å
717	I	98.7	Very high	97.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	123.3	174.3	-64.9	176.7	0	0	0	108	V699 M700 W701 A736 M738 F742 L1060 Y1061 M1064	V699-I717 HydrophobicContact CG1-CD1 3.75Å; V699-I717 HydrophobicContact CG1-CG1 3.55Å; M700-I717 PolarHBondContact O-N 3.18Å; W701-I717 HydrophobicContact CB-CB 4.15Å; W701-I717 HydrophobicContact CB-CD1 4.15Å; W701-I717 HydrophobicContact CB-CG1 4.47Å; W701-I717 HydrophobicContact CG-CB 4.16Å; W701-I717 HydrophobicContact CG-CD1 4.2Å; W701-I717 HydrophobicContact CG-CG2 4.42Å; I717-A736 WeakPolarHBondContact CA-O 3.19Å; I717-M738 HydrophobicContact CG2-CG 3.63Å; I717-M738 HydrophobicContact CG2-SD 4.25Å; I717-F742 HydrophobicContact CG2-CB 4.36Å; I717-L1060 HydrophobicContact CD1-CD2 4.39Å; I717-L1060 HydrophobicContact CG1-CD2 4.1Å; I717-L1060 HydrophobicContact CG2-CD2 4.11Å; I717-Y1061 HydrophobicContact CD1-CE1 3.87Å; I717-M1064 HydrophobicContact CD1-CE 4.45Å; I717-M1064 HydrophobicContact CG1-CE 4.03Å
718	T	98.2	Very high	97.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	-169.2	-174.6	-164	0	0	0	0	110.9	I716 S723 L735 A736 Y737 M738 F742 F992	I716-T718 PolarHBondContact O-N 3.01Å; T718-S723 WeakPolarHBondContact OG1-CB 3.46Å; T718-S723 PolarHBondContact OG1-OG 3.17Å; T718-L735 HydrophobicContact CG2-CB 4.09Å; T718-L735 HydrophobicContact CG2-CD2 4.23Å; T718-A736 PolarHBondContact N-O 3.45Å; T718-Y737 HydrophobicContact CG2-CD1 3.82Å; T718-Y737 HydrophobicContact CG2-CE1 3.8Å; T718-Y737 CarbonylContact O-C 3.59Å; T718-Y737 WeakPolarHBondContact O-CA 3.41Å; T718-M738 PolarHBondContact O-N 3.47Å; T718-F742 VanDerWaalsContact CA-CB 3.45Å; T718-F992 VanDerWaalsContact OG1-CE2 3.27Å; T718-F992 WeakPolarHBondContact OG1-CE2 3.33Å
719	D	97.4	Very high	97.2	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	19%	0.192	C	C	.	.			trans	-139.8	169.3	171.7	59.3	58.6	0	0	0	110.3	S721 T722 S723 Y737 T741 F742 S999	D719-S721 PolarHBondContact O-N 3.27Å; D719-S721 WeakPolarHBondContact OD1-CB 3.28Å; D719-S721 PolarHBondContact OD1-N 3.32Å; D719-T722 PolarHBondContact O-N 2.94Å; D719-T722 WeakPolarHBondContact OD1-CB 3.37Å; D719-T722 PolarHBondContact OD1-N 3.42Å; D719-T722 PolarHBondContact OD1-OG1 3.43Å; D719-T722 PolarHBondContact OD2-OG1 3.45Å; D719-S723 PolarHBondContact O-N 2.87Å; D719-Y737 VanDerWaalsContact C-CD1 3.49Å; D719-T741 WeakPolarHBondContact OD2-CA 3.33Å; D719-F742 WeakPolarHBondContact OD2-CD1 2.85Å; D719-F742 PolarHBondContact OD2-N 2.87Å; D719-S999 VanDerWaalsContact CG-OG 3.29Å; D719-S999 WeakPolarHBondContact OD1-CB 3.1Å; D719-S999 VanDerWaalsContact OD2-CB 3.25Å; D719-S999 WeakPolarHBondContact OD2-CB 3.48Å; D719-S999 PolarHBondContact OD2-OG 3.23Å
720	E	96	Very high	97.2	Very high	126 Å²	126	33 Å²	33	59%	0.589	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-24.4	-175.3	-61.6	-172.6	153.7	0	0	113.6	Y737	E720-Y737 HydrophobicContact CG-CD1 4.18Å; E720-Y737 HydrophobicContact CG-CE1 4.37Å
721	S	95.1	Very high	97.2	Very high	28 Å²	28	33.6 Å²	33.6	20%	0.196	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-43.1	177.9	-58.7	0	0	0	0	110.7	D719 R995 N1002	D719-S721 PolarHBondContact O-N 3.27Å; D719-S721 WeakPolarHBondContact OD1-CB 3.28Å; D719-S721 PolarHBondContact OD1-N 3.32Å; S721-R995 PolarHBondContact O-NH1 3.48Å; S721-N1002 PolarHBondContact OG-ND2 3.35Å
722	T	97	Very high	97.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-44.3	-177.3	-51.8	0	0	0	0	111.8	D719 F742 F992 R995 S999	D719-T722 PolarHBondContact O-N 2.94Å; D719-T722 WeakPolarHBondContact OD1-CB 3.37Å; D719-T722 PolarHBondContact OD1-N 3.42Å; D719-T722 PolarHBondContact OD1-OG1 3.43Å; D719-T722 PolarHBondContact OD2-OG1 3.45Å; T722-F742 HydrophobicContact CG2-CD1 4.23Å; T722-F742 HydrophobicContact CG2-CE1 3.62Å; T722-F742 HydrophobicContact CG2-CZ 4.34Å; T722-F742 VanDerWaalsContact OG1-CE1 3.29Å; T722-F742 WeakPolarHBondContact OG1-CE1 3.41Å; T722-F992 HydrophobicContact CG2-CB 4.5Å; T722-F992 HydrophobicContact CG2-CD1 3.67Å; T722-F992 HydrophobicContact CG2-CD2 3.75Å; T722-F992 HydrophobicContact CG2-CE1 3.73Å; T722-F992 HydrophobicContact CG2-CE2 3.81Å; T722-F992 HydrophobicContact CG2-CG 3.69Å; T722-F992 HydrophobicContact CG2-CZ 3.79Å; T722-R995 HydrophobicContact CG2-CB 4.35Å; T722-R995 WeakPolarHBondContact O-CD 2.91Å; T722-S999 VanDerWaalsContact OG1-CB 3.24Å; T722-S999 WeakPolarHBondContact OG1-CB 3.4Å
723	S	96.6	Very high	97.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-132.5	70.4	-174.2	-55.7	0	0	0	0	110.5	T718 D719 L725 Y731 Y737 F992	T718-S723 WeakPolarHBondContact OG1-CB 3.46Å; T718-S723 PolarHBondContact OG1-OG 3.17Å; D719-S723 PolarHBondContact O-N 2.87Å; S723-L725 PolarHBondContact O-N 3.31Å; S723-Y731 PolarHBondContact OG-OH 3.48Å; S723-Y737 VanDerWaalsContact O-CE1 3.26Å; S723-Y737 WeakPolarHBondContact O-CE1 3.42Å; S723-Y737 PolarHBondContact O-OH 3.36Å; S723-F992 VanDerWaalsContact OG-CD2 3.29Å; S723-F992 WeakPolarHBondContact OG-CD2 3.47Å
724	P	95.7	Very high	97.2	Very high	28 Å²	28	33.9 Å²	33.9	18%	0.182	19%	0.186	C	C	.	.			trans	-55.7	144.4	174.4	24.7	-34.8	0	0	0	110.4	S726 L727	P724-S726 PolarHBondContact O-N 3.42Å; P724-L727 HydrophobicContact CG-CD1 3.84Å; P724-L727 HydrophobicContact CG-CG 4.05Å; P724-L727 WeakPolarHBondContact O-CB 3.38Å; P724-L727 PolarHBondContact O-N 3.16Å
725	L	95.2	Very high	97.2	Very high	106 Å²	106	32.9 Å²	32.9	56%	0.555	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-58.9	-25.1	-173.1	-168.2	67.4	0	0	0	113.3	S723 L727 A728 H1076	S723-L725 PolarHBondContact O-N 3.31Å; L725-L727 PolarHBondContact O-N 3.08Å; L725-A728 HydrophobicContact CD1-CB 4.23Å; L725-A728 WeakPolarHBondContact O-CB 3.29Å; L725-A728 PolarHBondContact O-N 3.06Å; L725-H1076 HydrophobicContact CD1-CB 4.35Å
726	S	95.6	Very high	97.2	Very high	94 Å²	94	32.7 Å²	32.7	66%	0.657	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-58.8	-24.6	172	57.3	0	0	0	0	113.7	P724 H729	P724-S726 PolarHBondContact O-N 3.42Å; S726-H729 PolarHBondContact O-CE1 3.09Å; S726-H729 PolarHBondContact O-ND1 3.5Å; S726-H729 VanDerWaalsContact O-ND1 3.16Å
727	L	95.8	Very high	97.2	Very high	25 Å²	25	33.2 Å²	33.2	13%	0.131	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-96.8	8.4	177	-61.4	-179	0	0	0	113.2	P724 L725 H729 A730 Y731 E990	P724-L727 HydrophobicContact CG-CD1 3.84Å; P724-L727 HydrophobicContact CG-CG 4.05Å; P724-L727 WeakPolarHBondContact O-CB 3.38Å; P724-L727 PolarHBondContact O-N 3.16Å; L725-L727 PolarHBondContact O-N 3.08Å; L727-H729 PolarHBondContact O-N 3.31Å; L727-A730 VanDerWaalsContact O-CB 3.26Å; L727-A730 WeakPolarHBondContact O-CB 3.4Å; L727-A730 PolarHBondContact O-N 3.33Å; L727-Y731 HydrophobicContact CB-CE2 4.48Å; L727-Y731 VanDerWaalsContact O-CD2 3.31Å; L727-Y731 WeakPolarHBondContact O-CD2 3.49Å; L727-Y731 WeakPolarHBondContact O-CE2 3.4Å; L727-E990 WeakPolarHBondContact CD1-O 3.43Å
728	A	96.9	Very high	97.2	Very high	19 Å²	19	33.4 Å²	33.4	16%	0.157	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-54.3	-31.8	179.5	0	0	0	0	0	113.3	L725 A730 Y731 L735	L725-A728 HydrophobicContact CD1-CB 4.23Å; L725-A728 WeakPolarHBondContact O-CB 3.29Å; L725-A728 PolarHBondContact O-N 3.06Å; A728-A730 PolarHBondContact O-N 2.89Å; A728-Y731 PolarHBondContact O-N 3.34Å; A728-L735 HydrophobicContact CB-CD1 4.12Å
729	H	96.7	Very high	97	Very high	120 Å²	120	35.6 Å²	35.6	56%	0.556	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-61.9	-24.2	177.3	69	-86.6	0	0	0	113.9	H557 K561 S726 L727 Y731	H557-H729 AromaticContact CD2-NE2 3.72Å; K561-H729 PolarHBondContact NZ-O 3.43Å; S726-H729 PolarHBondContact O-CE1 3.09Å; S726-H729 PolarHBondContact O-ND1 3.5Å; S726-H729 VanDerWaalsContact O-ND1 3.16Å; L727-H729 PolarHBondContact O-N 3.31Å; H729-Y731 PolarHBondContact O-N 2.87Å
730	A	97.1	Very high	96.9	Very high	8 Å²	8	36.9 Å²	36.9	7%	0.066	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-72.9	-12.1	178.9	0	0	0	0	0	113.5	H557 L727 A728	H557-A730 HydrophobicContact CB-CB 3.78Å; L727-A730 VanDerWaalsContact O-CB 3.26Å; L727-A730 WeakPolarHBondContact O-CB 3.4Å; L727-A730 PolarHBondContact O-N 3.33Å; A728-A730 PolarHBondContact O-N 2.89Å
731	Y	98.3	Very high	96.9	Very high	14 Å²	14	31 Å²	31	6%	0.055	18%	0.175	C	C	.	.			trans	-110.2	148.9	-177.2	-54.2	-85.4	0	0	0	110.7	K561 I716 S723 L727 A728 H729 L735 F992	K561-Y731 WeakPolarHBondContact CE-O 3.14Å; K561-Y731 PolarHBondContact NZ-O 2.96Å; I716-Y731 HydrophobicContact CD1-CD1 4.4Å; I716-Y731 HydrophobicContact CG2-CD1 4.43Å; S723-Y731 PolarHBondContact OG-OH 3.48Å; L727-Y731 HydrophobicContact CB-CE2 4.48Å; L727-Y731 VanDerWaalsContact O-CD2 3.31Å; L727-Y731 WeakPolarHBondContact O-CD2 3.49Å; L727-Y731 WeakPolarHBondContact O-CE2 3.4Å; A728-Y731 PolarHBondContact O-N 3.34Å; H729-Y731 PolarHBondContact O-N 2.87Å; Y731-L735 HydrophobicContact CD1-CD2 4.43Å; Y731-L735 HydrophobicContact CD2-CD2 3.7Å; Y731-L735 HydrophobicContact CE2-CD2 4.15Å; Y731-L735 HydrophobicContact CG-CD2 3.85Å; Y731-F992 HydrophobicContact CE1-CB 4.3Å; Y731-F992 AromaticContact CE1-CD2 3.76Å; Y731-F992 HydrophobicContact CE1-CD2 3.76Å; Y731-F992 HydrophobicContact CE1-CG 4.49Å; Y731-F992 AromaticContact CZ-CD2 3.99Å; Y731-F992 WeakPolarHBondContact OH-CB 3.34Å; Y731-F992 WeakPolarHBondContact OH-CD2 3.42Å
732	S	98.2	Very high	97	Very high	43 Å²	43	29.7 Å²	29.7	30%	0.301	17%	0.166	S	C	.	.	S	Bend	trans	-80.5	-33.2	165.8	33.8	0	0	0	0	111.3	T707 G709 A710	T707-S732 PolarHBondContact OG1-N 3.19Å; T707-S732 VanDerWaalsContact OG1-N 3.13Å; T707-S732 PolarHBondContact OG1-OG 3.47Å; G709-S732 WeakPolarHBondContact CA-OG 3.37Å; G709-S732 PolarHBondContact N-OG 3.41Å; A710-S732 PolarHBondContact N-OG 3.02Å
733	E	98.6	Very high	97	Very high	3 Å²	3	30 Å²	30	1%	0.014	17%	0.168	C	C	.	.	S	Bend	trans	-83.1	158.4	-174.8	-56.2	89	152.7	0	0	111.4	T707 S708 M713 I716	T707-E733 PolarHBondContact OG1-OE2 2.57Å; S708-E733 WeakPolarHBondContact CA-OE1 3.43Å; S708-E733 WeakPolarHBondContact CB-OE1 3.4Å; S708-E733 PolarHBondContact N-OE1 3.02Å; S708-E733 PolarHBondContact OG-OE1 3.36Å; M713-E733 HydrophobicContact CB-CG 3.97Å; M713-E733 HydrophobicContact CG-CG 3.77Å; I716-E733 HydrophobicContact CB-CB 4.02Å; I716-E733 HydrophobicContact CB-CG 4.37Å; I716-E733 HydrophobicContact CG2-CB 3.91Å
734	K	98.7	Very high	97	Very high	67 Å²	67	30 Å²	30	29%	0.291	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	134.9	167.9	-62	-62.8	-172.3	166.5	0	110.5	D714 Y715 I716 A736 P1074 D1075	D714-K734 PolarHBondContact O-N 2.97Å; Y715-K734 CarbonylContact C-O 2.95Å; Y715-K734 VanDerWaalsContact CA-O 3.23Å; Y715-K734 WeakPolarHBondContact CA-O 3.42Å; Y715-K734 HydrophobicContact CD1-CB 3.71Å; Y715-K734 HydrophobicContact CE1-CB 3.91Å; I716-K734 PolarHBondContact N-O 3.01Å; K734-A736 PolarHBondContact O-N 3.05Å; K734-P1074 WeakPolarHBondContact CE-O 3.37Å; K734-P1074 HydrophobicContact CG-CB 3.99Å; K734-D1075 IonicContact NZ-OD1 2.72Å
735	L	98.6	Very high	97	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	121.8	179.3	-52	-177.5	0	0	0	109.8	I716 T718 A728 Y731 Y737 H1076 I1077	I716-L735 HydrophobicContact CG2-CD2 3.49Å; I716-L735 VanDerWaalsContact CG2-CD2 3.49Å; T718-L735 HydrophobicContact CG2-CB 4.09Å; T718-L735 HydrophobicContact CG2-CD2 4.23Å; A728-L735 HydrophobicContact CB-CD1 4.12Å; Y731-L735 HydrophobicContact CD1-CD2 4.43Å; Y731-L735 HydrophobicContact CD2-CD2 3.7Å; Y731-L735 HydrophobicContact CE2-CD2 4.15Å; Y731-L735 HydrophobicContact CG-CD2 3.85Å; L735-Y737 HydrophobicContact CB-CE1 4.22Å; L735-Y737 HydrophobicContact CB-CE2 3.9Å; L735-Y737 HydrophobicContact CD1-CE1 4.42Å; L735-Y737 WeakPolarHBondContact CD1-OH 3.48Å; L735-H1076 PolarHBondContact N-ND1 3.32Å; L735-H1076 VanDerWaalsContact N-ND1 3.11Å; L735-H1076 WeakPolarHBondContact O-CA 3.49Å; L735-I1077 PolarHBondContact O-N 3.34Å
736	A	98.6	Very high	97.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	111.2	174.9	0	0	0	0	0	109	Y715 I716 I717 T718 K734 L1060 M1064	Y715-A736 HydrophobicContact CD1-CB 4.1Å; I716-A736 PolarHBondContact O-N 2.93Å; I717-A736 WeakPolarHBondContact CA-O 3.19Å; T718-A736 PolarHBondContact N-O 3.45Å; K734-A736 PolarHBondContact O-N 3.05Å; A736-L1060 HydrophobicContact CB-CD1 4.07Å; A736-L1060 HydrophobicContact CB-CD2 4.04Å; A736-L1060 HydrophobicContact CB-CG 4.29Å; A736-M1064 HydrophobicContact CB-CE 3.3Å
737	Y	98.6	Very high	97.2	Very high	13 Å²	13	19.1 Å²	19.1	5%	0.051	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	124.4	-166.3	-64.8	-73.4	0	0	0	112.9	T718 D719 E720 S723 L735 I1077	T718-Y737 HydrophobicContact CG2-CD1 3.82Å; T718-Y737 HydrophobicContact CG2-CE1 3.8Å; T718-Y737 CarbonylContact O-C 3.59Å; T718-Y737 WeakPolarHBondContact O-CA 3.41Å; D719-Y737 VanDerWaalsContact C-CD1 3.49Å; E720-Y737 HydrophobicContact CG-CD1 4.18Å; E720-Y737 HydrophobicContact CG-CE1 4.37Å; S723-Y737 VanDerWaalsContact O-CE1 3.26Å; S723-Y737 WeakPolarHBondContact O-CE1 3.42Å; S723-Y737 PolarHBondContact O-OH 3.36Å; L735-Y737 HydrophobicContact CB-CE1 4.22Å; L735-Y737 HydrophobicContact CB-CE2 3.9Å; L735-Y737 HydrophobicContact CD1-CE1 4.42Å; L735-Y737 WeakPolarHBondContact CD1-OH 3.48Å; Y737-I1077 VanDerWaalsContact CD2-O 3.24Å; Y737-I1077 WeakPolarHBondContact CD2-O 3.25Å; Y737-I1077 PolarHBondContact N-O 3.25Å
738	M	97.9	Very high	97.2	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.025	11%	0.112	C	C	.	.			trans	-74.5	142.3	161.4	-67.4	-62.7	-70.7	0	0	109.6	I717 T718 H740 T741 F742 Y1053 D1056 M1057 L1060	I717-M738 HydrophobicContact CG2-CG 3.63Å; I717-M738 HydrophobicContact CG2-SD 4.25Å; T718-M738 PolarHBondContact O-N 3.47Å; M738-H740 VanDerWaalsContact C-N 3.27Å; M738-H740 PolarHBondContact O-N 3.45Å; M738-T741 WeakPolarHBondContact CB-O 3.2Å; M738-F742 HydrophobicContact CG-CB 4.39Å; M738-Y1053 HydrophobicContact CE-CD1 4.47Å; M738-Y1053 HydrophobicContact CE-CD2 3.85Å; M738-Y1053 HydrophobicContact CE-CE1 4.2Å; M738-Y1053 HydrophobicContact CE-CE2 3.57Å; M738-Y1053 HydrophobicContact CE-CG 4.29Å; M738-D1056 HydrophobicContact CE-CB 3.96Å; M738-M1057 HydrophobicContact CE-CB 3.94Å; M738-M1057 HydrophobicContact SD-CB 4.2Å; M738-M1057 HydrophobicContact SD-CG 4.36Å; M738-L1060 HydrophobicContact CG-CD2 4.37Å; M738-L1060 HydrophobicContact SD-CD2 3.77Å
739	P	95.4	Very high	97	Very high	45 Å²	45	23.5 Å²	23.5	29%	0.292	12%	0.119	S	C	.	.	S	Bend	trans	-71	-17.1	-172.5	27.2	-35.6	0	0	0	115	D1056	P739-D1056 HydrophobicContact CG-CB 3.8Å
740	H	94.1	Very high	96.9	Very high	30 Å²	30	18.3 Å²	18.3	14%	0.139	9%	0.094	C	C	.	.	S	Bend	trans	-125.7	-60.6	-173.7	-55.7	-39.6	0	0	0	111.4	M738 P804 T1046 D1056	M738-H740 VanDerWaalsContact C-N 3.27Å; M738-H740 PolarHBondContact O-N 3.45Å; H740-P804 PolarHBondContact CE1-O 2.89Å; H740-P804 WeakPolarHBondContact NE2-CB 3.31Å; H740-T1046 WeakPolarHBondContact CB-OG1 3.47Å; H740-T1046 PolarHBondContact CD2-OG1 3.41Å; H740-D1056 IonicContact CD2-OD2 3.11Å; H740-D1056 IonicContact NE2-OD2 3.69Å
741	T	96.3	Very high	96.9	Very high	2 Å²	2	18 Å²	18	1%	0.012	9%	0.092	C	C	.	.			trans	-152.8	151.2	174.3	179.2	0	0	0	0	108.8	D719 M738 F743 S999 A1003 L1047 Y1053	D719-T741 WeakPolarHBondContact OD2-CA 3.33Å; M738-T741 WeakPolarHBondContact CB-O 3.2Å; T741-F743 VanDerWaalsContact C-N 3.34Å; T741-F743 PolarHBondContact OG1-N 3Å; T741-S999 WeakPolarHBondContact CB-OG 3.25Å; T741-S999 PolarHBondContact OG1-OG 3.29Å; T741-A1003 HydrophobicContact CG2-CB 3.89Å; T741-L1047 HydrophobicContact CG2-CD1 3.99Å; T741-Y1053 WeakPolarHBondContact O-CE2 3.31Å
742	F	96.8	Very high	96.8	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.009	10%	0.103	C	C	.	.	S	Bend	trans	-83.9	-12.8	166	87.8	-83.7	0	0	0	113.1	W701 I717 T718 D719 T722 M738 F992 V996 Y1053	W701-F742 PolarHBondContact NE1-O 2.97Å; I717-F742 HydrophobicContact CG2-CB 4.36Å; T718-F742 VanDerWaalsContact CA-CB 3.45Å; D719-F742 WeakPolarHBondContact OD2-CD1 2.85Å; D719-F742 PolarHBondContact OD2-N 2.87Å; T722-F742 HydrophobicContact CG2-CD1 4.23Å; T722-F742 HydrophobicContact CG2-CE1 3.62Å; T722-F742 HydrophobicContact CG2-CZ 4.34Å; T722-F742 VanDerWaalsContact OG1-CE1 3.29Å; T722-F742 WeakPolarHBondContact OG1-CE1 3.41Å; M738-F742 HydrophobicContact CG-CB 4.39Å; F742-F992 HydrophobicContact CD1-CZ 4.27Å; F742-F992 HydrophobicContact CD2-CZ 4.07Å; F742-F992 AromaticContact CE1-CE1 3.84Å; F742-F992 HydrophobicContact CE1-CE1 3.84Å; F742-F992 AromaticContact CE1-CZ 3.82Å; F742-F992 HydrophobicContact CE1-CZ 3.82Å; F742-F992 AromaticContact CE2-CE1 3.63Å; F742-F992 HydrophobicContact CE2-CE1 3.63Å; F742-F992 AromaticContact CE2-CZ 3.54Å; F742-F992 HydrophobicContact CE2-CZ 3.54Å; F742-F992 HydrophobicContact CG-CZ 4.44Å; F742-F992 HydrophobicContact CZ-CD1 4.37Å; F742-F992 AromaticContact CZ-CE1 3.22Å; F742-F992 HydrophobicContact CZ-CE1 3.22Å; F742-F992 AromaticContact CZ-CZ 3.44Å; F742-F992 HydrophobicContact CZ-CZ 3.44Å; F742-F992 VanDerWaalsContact CZ-CZ 3.44Å; F742-V996 HydrophobicContact CE1-CG1 4.35Å; F742-V996 HydrophobicContact CE1-CG2 4.28Å; F742-V996 HydrophobicContact CZ-CG1 4.13Å; F742-V996 HydrophobicContact CZ-CG2 3.95Å; F742-Y1053 PolarHBondContact O-OH 2.93Å
743	F	96.7	Very high	96.6	Very high	6 Å²	6	17.4 Å²	17.4	3%	0.026	9%	0.088	C	C	.	.			trans	-109.7	80.3	-167.9	-154.8	-89.1	0	0	0	110.8	L612 L702 T741 H971 M975 V996 Q1000	L612-F743 HydrophobicContact CD1-CE1 3.6Å; L612-F743 HydrophobicContact CD1-CE2 4.16Å; L612-F743 HydrophobicContact CD1-CZ 3.33Å; L612-F743 HydrophobicContact CD2-CD1 4.42Å; L612-F743 HydrophobicContact CD2-CE1 3.74Å; L612-F743 HydrophobicContact CD2-CZ 4.36Å; L612-F743 HydrophobicContact CG-CE1 4.34Å; L612-F743 HydrophobicContact CG-CZ 4.5Å; L702-F743 HydrophobicContact CD1-CD2 3.96Å; L702-F743 HydrophobicContact CD1-CE2 4.02Å; L702-F743 HydrophobicContact CD1-CG 4.49Å; T741-F743 VanDerWaalsContact C-N 3.34Å; T741-F743 PolarHBondContact OG1-N 3Å; F743-H971 HydrophobicContact CE1-CB 4.19Å; F743-H971 HydrophobicContact CE2-CB 4.09Å; F743-H971 HydrophobicContact CZ-CB 3.56Å; F743-M975 HydrophobicContact CD1-CG 3.87Å; F743-M975 HydrophobicContact CD1-SD 4.25Å; F743-M975 HydrophobicContact CE1-CG 3.79Å; F743-V996 HydrophobicContact CB-CG1 4.15Å; F743-V996 HydrophobicContact CD1-CG1 4.12Å; F743-V996 HydrophobicContact CD2-CG1 3.65Å; F743-V996 HydrophobicContact CE1-CG1 4.48Å; F743-V996 HydrophobicContact CE2-CG1 4.06Å; F743-V996 HydrophobicContact CG-CG1 3.69Å; F743-V996 HydrophobicContact CZ-CG1 4.45Å; F743-Q1000 HydrophobicContact CD1-CG 4.39Å
744	I	96.6	Very high	96.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.088	C	C	.	.			trans	-71	154.5	178.9	-169.9	54.9	0	0	0	112.4	L612 M613 V616 W701 L1047 V1050 Y1053	L612-I744 WeakPolarHBondContact CB-O 3.46Å; L612-I744 VanDerWaalsContact CD2-O 3.31Å; L612-I744 WeakPolarHBondContact CD2-O 3.43Å; M613-I744 HydrophobicContact CB-CG2 4.36Å; V616-I744 HydrophobicContact CG2-CG2 4.4Å; W701-I744 HydrophobicContact CZ2-CG2 4.07Å; I744-L1047 WeakPolarHBondContact CD1-O 3.4Å; I744-V1050 HydrophobicContact CD1-CG2 4.26Å; I744-V1050 HydrophobicContact CG1-CG2 4.01Å; I744-Y1053 HydrophobicContact CB-CD1 4Å; I744-Y1053 HydrophobicContact CB-CD2 3.7Å; I744-Y1053 HydrophobicContact CB-CE1 4.03Å; I744-Y1053 HydrophobicContact CB-CE2 3.69Å; I744-Y1053 HydrophobicContact CB-CG 3.86Å; I744-Y1053 HydrophobicContact CD1-CD2 3.8Å; I744-Y1053 HydrophobicContact CD1-CG 3.76Å; I744-Y1053 HydrophobicContact CG1-CD1 4.01Å; I744-Y1053 HydrophobicContact CG1-CD2 3.93Å; I744-Y1053 HydrophobicContact CG1-CE2 4.43Å; I744-Y1053 HydrophobicContact CG1-CG 3.7Å; I744-Y1053 HydrophobicContact CG2-CD1 4.16Å; I744-Y1053 HydrophobicContact CG2-CE1 3.9Å; I744-Y1053 HydrophobicContact CG2-CE2 4.32Å
745	G	96.7	Very high	96.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.089	C	C	.	.			trans	-130.1	135	167.8	0	0	0	0	0	112.3	L612 H747 M975 L1047 F1048	L612-G745 CarbonylContact O-C 3.37Å; L612-G745 WeakPolarHBondContact O-CA 3.29Å; G745-H747 VanDerWaalsContact C-N 3.25Å; G745-H747 PolarHBondContact O-N 2.92Å; G745-M975 VanDerWaalsContact CA-CE 3.44Å; G745-L1047 PolarHBondContact N-O 2.93Å; G745-F1048 WeakPolarHBondContact O-CA 3.43Å
746	D	97.1	Very high	95.8	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.			trans	-91.7	17.1	-179.7	-155.8	13.8	0	0	0	112.4	L612 Q614 S615 M748 Q749 M750 V1050	L612-D746 PolarHBondContact O-N 3.16Å; Q614-D746 WeakPolarHBondContact CG-OD2 3.43Å; S615-D746 VanDerWaalsContact CB-OD1 3.27Å; S615-D746 WeakPolarHBondContact CB-OD1 3.47Å; S615-D746 WeakPolarHBondContact CB-OD2 3.45Å; S615-D746 PolarHBondContact N-OD2 2.62Å; S615-D746 VanDerWaalsContact OG-CG 3.25Å; S615-D746 PolarHBondContact OG-OD1 3.2Å; S615-D746 PolarHBondContact OG-OD2 3.43Å; D746-M748 PolarHBondContact O-N 3.14Å; D746-Q749 PolarHBondContact O-N 3.01Å; D746-Q749 VanDerWaalsContact O-N 3.07Å; D746-Q749 PolarHBondContact O-OE1 3.39Å; D746-Q749 WeakPolarHBondContact OD1-CB 3.31Å; D746-Q749 VanDerWaalsContact OD1-CD 3.23Å; D746-Q749 WeakPolarHBondContact OD1-CG 3.26Å; D746-Q749 PolarHBondContact OD1-OE1 3.49Å; D746-M750 WeakPolarHBondContact O-CG 3.48Å; D746-M750 PolarHBondContact O-N 3.39Å; D746-M750 VanDerWaalsContact O-N 3.08Å; D746-V1050 HydrophobicContact CB-CG2 4.27Å; D746-V1050 WeakPolarHBondContact OD1-CG2 3.42Å
747	H	97.4	Very high	95.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.1	-28.7	-171.3	-65.8	64.6	0	0	0	113.8	G745 Q749 M750 F751 D976 W979 F1048	G745-H747 VanDerWaalsContact C-N 3.25Å; G745-H747 PolarHBondContact O-N 2.92Å; H747-Q749 VanDerWaalsContact C-N 3.29Å; H747-Q749 PolarHBondContact O-N 2.9Å; H747-M750 PolarHBondContact O-N 3.33Å; H747-F751 HydrophobicContact CB-CD2 4.12Å; H747-F751 AromaticContact CD2-CD2 3.91Å; H747-F751 AromaticContact CD2-CE2 3.8Å; H747-F751 PolarHBondContact O-N 3.23Å; H747-D976 IonicContact CD2-OD1 3.96Å; H747-D976 IonicContact CE1-OD1 3.68Å; H747-D976 IonicContact NE2-OD1 3.35Å; H747-D976 PolarHBondContact NE2-OD1 3.14Å; H747-W979 HydrophobicContact CB-CB 3.91Å; H747-W979 HydrophobicContact CB-CD2 3.47Å; H747-W979 VanDerWaalsContact CB-CD2 3.47Å; H747-W979 HydrophobicContact CB-CE3 3.9Å; H747-W979 HydrophobicContact CB-CG 3.43Å; H747-W979 VanDerWaalsContact CB-CG 3.43Å; H747-W979 AromaticContact CD2-CG 3.9Å; H747-W979 AromaticContact CG-CG 3.97Å; H747-F1048 HydrophobicContact CB-CD1 3.77Å; H747-F1048 HydrophobicContact CB-CE1 3.87Å; H747-F1048 AromaticContact CG-CE1 3.71Å; H747-F1048 AromaticContact ND1-CD1 3.87Å; H747-F1048 AromaticContact ND1-CE1 3.58Å
748	M	95.4	Very high	95.4	Very high	71 Å²	71	21.8 Å²	21.8	35%	0.35	12%	0.115	S	C	.	.	H	α-helix	trans	-65.2	-34.8	177.2	-176.6	168.5	63.6	0	0	112	D746 W979	D746-M748 PolarHBondContact O-N 3.14Å; M748-W979 VanDerWaalsContact CA-CH2 3.43Å; M748-W979 HydrophobicContact CB-CH2 3.62Å; M748-W979 HydrophobicContact CB-CZ2 4.32Å; M748-W979 HydrophobicContact CB-CZ3 4.02Å; M748-W979 HydrophobicContact CG-CH2 3.97Å
749	Q	94.1	Very high	95.3	Very high	65 Å²	65	22.3 Å²	22.3	30%	0.304	12%	0.118	S	C	.	.	H	α-helix	trans	-80.6	-37.9	176.8	-69.1	66.4	21.9	0	0	111	M619 D746 H747	M619-Q749 HydrophobicContact CE-CG 3.98Å; D746-Q749 PolarHBondContact O-N 3.01Å; D746-Q749 VanDerWaalsContact O-N 3.07Å; D746-Q749 PolarHBondContact O-OE1 3.39Å; D746-Q749 WeakPolarHBondContact OD1-CB 3.31Å; D746-Q749 VanDerWaalsContact OD1-CD 3.23Å; D746-Q749 WeakPolarHBondContact OD1-CG 3.26Å; D746-Q749 PolarHBondContact OD1-OE1 3.49Å; H747-Q749 VanDerWaalsContact C-N 3.29Å; H747-Q749 PolarHBondContact O-N 2.9Å
750	M	94.8	Very high	95.2	Very high	10 Å²	10	20.6 Å²	20.6	5%	0.049	11%	0.106	C	C	.	.	H	α-helix	trans	-76	-40.4	-177.4	-69	-179.8	66.5	0	0	113.7	H611 Q614 F640 D746 H747 P752	H611-M750 HydrophobicContact CB-CE 4.09Å; H611-M750 HydrophobicContact CB-SD 4.16Å; Q614-M750 PolarHBondContact NE2-SD 3.49Å; F640-M750 HydrophobicContact CE1-CE 3.46Å; F640-M750 VanDerWaalsContact CE1-CE 3.46Å; F640-M750 HydrophobicContact CE1-SD 4.48Å; F640-M750 HydrophobicContact CZ-CE 3.83Å; D746-M750 WeakPolarHBondContact O-CG 3.48Å; D746-M750 PolarHBondContact O-N 3.39Å; D746-M750 VanDerWaalsContact O-N 3.08Å; H747-M750 PolarHBondContact O-N 3.33Å; M750-P752 WeakPolarHBondContact O-CD 3.24Å
751	F	96.5	Very high	95	Very high	1 Å²	1	20.6 Å²	20.6	0%	0.004	11%	0.105	C	C	.	.			trans	-128.1	54.2	-170.1	-47	-63.2	0	0	0	112.5	H747 H753 L754 K949 E950 V953	H747-F751 HydrophobicContact CB-CD2 4.12Å; H747-F751 AromaticContact CD2-CD2 3.91Å; H747-F751 AromaticContact CD2-CE2 3.8Å; H747-F751 PolarHBondContact O-N 3.23Å; F751-H753 AromaticContact CD1-CE1 3.98Å; F751-H753 PolarHBondContact O-N 3.18Å; F751-L754 HydrophobicContact CB-CB 4.28Å; F751-L754 HydrophobicContact CB-CD1 3.91Å; F751-L754 HydrophobicContact CB-CG 4.05Å; F751-L754 HydrophobicContact CG-CD1 4.35Å; F751-L754 WeakPolarHBondContact O-CB 3.48Å; F751-L754 PolarHBondContact O-N 2.89Å; F751-K949 HydrophobicContact CZ-CG 3.86Å; F751-E950 HydrophobicContact CE1-CB 4.39Å; F751-V953 HydrophobicContact CD2-CG1 4.28Å; F751-V953 HydrophobicContact CD2-CG2 4.36Å; F751-V953 HydrophobicContact CE2-CB 4.5Å; F751-V953 HydrophobicContact CE2-CG2 3.8Å; F751-V953 HydrophobicContact CZ-CG2 4.02Å
752	P	95.7	Very high	94.7	Very high	44 Å²	44	20.5 Å²	20.5	29%	0.286	10%	0.104	S	C	.	.	G	3₁₀ helix	trans	-62.3	-24.5	179.6	27.5	-35.5	0	0	0	112.3	M750 L754 S755 V864	M750-P752 WeakPolarHBondContact O-CD 3.24Å; P752-L754 PolarHBondContact O-N 3.44Å; P752-S755 VanDerWaalsContact O-CB 3.3Å; P752-S755 WeakPolarHBondContact O-CB 3.32Å; P752-S755 PolarHBondContact O-N 3.14Å; P752-S755 VanDerWaalsContact O-N 3.13Å; P752-S755 PolarHBondContact O-OG 3.42Å; P752-V864 HydrophobicContact CG-CB 4.44Å; P752-V864 HydrophobicContact CG-CG1 3.82Å; P752-V864 HydrophobicContact CG-CG2 3.71Å
753	H	95.1	Very high	94.3	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-68.5	-11.2	173.6	67.4	-67.3	0	0	0	114.2	F751 G779 T780 V864 P865 E950	F751-H753 AromaticContact CD1-CE1 3.98Å; F751-H753 PolarHBondContact O-N 3.18Å; H753-G779 PolarHBondContact O-N 2.66Å; H753-T780 HydrophobicContact CB-CG2 3.87Å; H753-V864 HydrophobicContact CB-CG1 4.22Å; H753-P865 VanDerWaalsContact CE1-CD 3.5Å; H753-P865 WeakPolarHBondContact CE1-CD 3.38Å; H753-E950 IonicContact CD2-OE1 2.69Å; H753-E950 IonicContact CE1-OE1 3.75Å; H753-E950 IonicContact NE2-OE1 2.82Å; H753-E950 PolarHBondContact NE2-OE1 3.08Å
754	L	96.1	Very high	93.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-101.5	0.4	173.7	-55.2	-175.5	0	0	0	112.9	F751 P752 E756 N778 V953 R954 R1042	F751-L754 HydrophobicContact CB-CB 4.28Å; F751-L754 HydrophobicContact CB-CD1 3.91Å; F751-L754 HydrophobicContact CB-CG 4.05Å; F751-L754 HydrophobicContact CG-CD1 4.35Å; F751-L754 WeakPolarHBondContact O-CB 3.48Å; F751-L754 PolarHBondContact O-N 2.89Å; P752-L754 PolarHBondContact O-N 3.44Å; L754-E756 VanDerWaalsContact C-N 3.3Å; L754-N778 HydrophobicContact CD2-CB 3.83Å; L754-V953 HydrophobicContact CD1-CB 4.29Å; L754-V953 HydrophobicContact CD1-CG1 3.7Å; L754-R954 HydrophobicContact CD1-CB 4.11Å; L754-R954 HydrophobicContact CD2-CB 4.04Å; L754-R954 HydrophobicContact CD2-CG 3.89Å; L754-R1042 PolarHBondContact O-NH1 2.73Å
755	S	92.5	Very high	92.9	Very high	45 Å²	45	33.8 Å²	33.8	32%	0.315	17%	0.167	S	C	.	.	S	Bend	trans	-65.7	-37.3	175.5	64.4	0	0	0	0	111.3	P752 W1039 R1042	P752-S755 VanDerWaalsContact O-CB 3.3Å; P752-S755 WeakPolarHBondContact O-CB 3.32Å; P752-S755 PolarHBondContact O-N 3.14Å; P752-S755 VanDerWaalsContact O-N 3.13Å; P752-S755 PolarHBondContact O-OG 3.42Å; S755-W1039 WeakPolarHBondContact O-CZ2 3.46Å; S755-R1042 PolarHBondContact O-NH2 3.27Å
756	E	89.5	Confident	92	Very high	123 Å²	123	39.5 Å²	39.5	58%	0.575	20%	0.204	S	C	*	.	S	Bend	trans	-113.8	155.3	172.7	-63	-171.9	176.9	0	0	111.4	L754 N778	L754-E756 VanDerWaalsContact C-N 3.3Å; E756-N778 PolarHBondContact O-ND2 3.42Å
757	R	94.1	Very high	90.9	Very high	7 Å²	7	43.1 Å²	43.1	3%	0.026	22%	0.223	C	C	.	.			trans	-147.1	154.1	170.8	76.1	-178.7	178.2	-162.1	3.4	110.6	D772 V777 V815 W1039	R757-D772 IonicContact NH2-OD1 2.83Å; R757-D772 IonicContact NH2-OD2 3.93Å; R757-D772 PolarHBondContact NH2-OD2 3Å; R757-D772 VanDerWaalsContact NH2-OD2 3.11Å; R757-V777 WeakPolarHBondContact CA-O 3.33Å; R757-V815 HydrophobicContact CG-CG1 4.36Å; R757-W1039 HydrophobicContact CB-CH2 3.68Å; R757-W1039 HydrophobicContact CB-CZ2 3.97Å; R757-W1039 VanDerWaalsContact CD-CH2 3.45Å; R757-W1039 HydrophobicContact CG-CH2 3.48Å; R757-W1039 VanDerWaalsContact CG-CH2 3.48Å; R757-W1039 HydrophobicContact CG-CZ2 3.55Å; R757-W1039 HydrophobicContact CG-CZ3 4.1Å
758	A	95.3	Very high	90.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	160.3	165.4	0	0	0	0	0	110.9	V776 V777 L782 P816 L818	A758-V776 CarbonylContact O-C 3.59Å; A758-V776 WeakPolarHBondContact O-CA 3.28Å; A758-V777 HydrophobicContact CB-CB 4.33Å; A758-V777 PolarHBondContact N-O 3.08Å; A758-V777 PolarHBondContact O-N 2.96Å; A758-L782 HydrophobicContact CB-CD1 4.01Å; A758-P816 CarbonylContact C-O 3.55Å; A758-P816 VanDerWaalsContact CA-O 3.29Å; A758-P816 WeakPolarHBondContact CA-O 3.42Å; A758-P816 HydrophobicContact CB-CB 4.01Å; A758-L818 HydrophobicContact CB-CD1 3.88Å; A758-L818 HydrophobicContact CB-CD2 4.13Å; A758-L818 HydrophobicContact CB-CG 3.79Å
759	I	94.4	Very high	88.9	Confident	16 Å²	16	45.4 Å²	45.4	8%	0.082	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	129.5	174.9	-60.5	158.7	0	0	0	107.9	D772 L794 V815 P816 V817 L818	I759-D772 HydrophobicContact CD1-CB 3.77Å; I759-L794 HydrophobicContact CD1-CD2 4.12Å; I759-V815 HydrophobicContact CD1-CG1 3.71Å; I759-V815 HydrophobicContact CG1-CG1 3.89Å; I759-P816 PolarHBondContact N-O 2.95Å; I759-V817 HydrophobicContact CB-CG2 4.35Å; I759-V817 HydrophobicContact CD1-CG2 4.08Å; I759-V817 CarbonylContact O-C 3.54Å; I759-V817 WeakPolarHBondContact O-CA 3.35Å; I759-L818 PolarHBondContact O-N 3.05Å
760	L	93.4	Very high	87.8	Confident	9 Å²	9	49.3 Å²	49.3	5%	0.047	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	131.1	174.6	-167.8	64.7	0	0	0	110.7	T775 V777 L818 I820 V826 V839 I870	L760-T775 HydrophobicContact CB-CG2 3.87Å; L760-T775 HydrophobicContact CD2-CG2 4.41Å; L760-T775 PolarHBondContact N-O 3.18Å; L760-T775 VanDerWaalsContact N-O 3.1Å; L760-V777 HydrophobicContact CB-CG2 3.74Å; L760-L818 HydrophobicContact CD1-CB 3.95Å; L760-L818 HydrophobicContact CD1-CD1 4.48Å; L760-I820 HydrophobicContact CD1-CD1 3.94Å; L760-I820 HydrophobicContact CD1-CG1 4.23Å; L760-I820 HydrophobicContact CD1-CG2 3.79Å; L760-I820 HydrophobicContact CD2-CD1 4.19Å; L760-I820 HydrophobicContact CG-CD1 4.06Å; L760-V826 HydrophobicContact CD2-CG1 4.44Å; L760-V826 HydrophobicContact CD2-CG2 3.9Å; L760-V839 HydrophobicContact CD1-CG1 4.3Å; L760-I870 HydrophobicContact CD2-CD1 3.73Å
761	R	89.9	Confident	87	Confident	30 Å²	30	50.8 Å²	50.8	11%	0.113	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	141.2	179	-158.6	-162.4	78.2	-137.7	4.6	112.3	K765 V817 L818 E819 I820	R761-K765 HydrophobicContact CG-CB 4.35Å; R761-K765 PolarHBondContact NE-O 3.38Å; R761-K765 VanDerWaalsContact NE-O 3.12Å; R761-V817 HydrophobicContact CB-CG1 4.37Å; R761-L818 PolarHBondContact N-O 3.2Å; R761-E819 IonicContact CZ-OE1 2.69Å; R761-E819 IonicContact NH1-OE1 2.66Å; R761-E819 PolarHBondContact NH1-OE1 3.32Å; R761-E819 IonicContact NH2-OE1 2.66Å; R761-E819 PolarHBondContact NH2-OE1 3.05Å; R761-E819 IonicContact NH2-OE2 3.58Å; R761-E819 WeakPolarHBondContact O-CA 3.38Å; R761-I820 WeakPolarHBondContact O-CG1 3.34Å; R761-I820 PolarHBondContact O-N 3.01Å
762	G	90.8	Very high	86.5	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	146.4	165.7	0	0	0	0	0	111.7	D764 K765 I820	G762-D764 VanDerWaalsContact C-OD1 3.31Å; G762-D764 VanDerWaalsContact CA-OD1 3.25Å; G762-D764 WeakPolarHBondContact CA-OD1 3.32Å; G762-D764 PolarHBondContact O-N 3.47Å; G762-K765 PolarHBondContact O-N 3.34Å; G762-I820 CarbonylContact C-O 3.56Å; G762-I820 WeakPolarHBondContact CA-O 3.3Å
763	K	87.5	Confident	86.4	Confident	111 Å²	111	48.9 Å²	48.9	48%	0.483	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.2	173.9	-76.4	177.4	178	-177	0	112.9	D790 E819 I820	K763-D790 VanDerWaalsContact CE-OD2 3.23Å; K763-D790 WeakPolarHBondContact CE-OD2 3.36Å; K763-D790 IonicContact NZ-OD2 3.3Å; K763-D790 PolarHBondContact NZ-OD2 3.04Å; K763-E819 HydrophobicContact CG-CB 4.21Å; K763-I820 WeakPolarHBondContact CG-O 3.43Å; K763-I820 PolarHBondContact N-O 3.41Å
764	D	82.9	Confident	86.4	Confident	105 Å²	105	49.9 Å²	49.9	56%	0.561	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-18.2	175.8	61.2	-54.2	0	0	0	114.2	G762	G762-D764 VanDerWaalsContact C-OD1 3.31Å; G762-D764 VanDerWaalsContact CA-OD1 3.25Å; G762-D764 WeakPolarHBondContact CA-OD1 3.32Å; G762-D764 PolarHBondContact O-N 3.47Å
765	K	81.7	Confident	86.3	Confident	72 Å²	72	51.1 Å²	51.1	31%	0.313	26%	0.256	S	S	.	.	S	Bend	trans	-100.9	138	-179.3	-60.4	-173.1	-175.3	178.5	0	111.5	R761 G762 E827	R761-K765 HydrophobicContact CG-CB 4.35Å; R761-K765 PolarHBondContact NE-O 3.38Å; R761-K765 VanDerWaalsContact NE-O 3.12Å; G762-K765 PolarHBondContact O-N 3.34Å; K765-E827 IonicContact NZ-OE1 3.01Å; K765-E827 PolarHBondContact NZ-OE1 3.33Å
766	P	78.7	Confident	86.4	Confident	119 Å²	119	49 Å²	49	77%	0.773	24%	0.241	S	C	*	.			trans	-64	145.3	177.3	27.2	-34	0	0	0	111.3	D768	P766-D768 PolarHBondContact O-N 3.21Å; P766-D768 VanDerWaalsContact O-N 3.13Å
767	L	73.9	Confident	86.7	Confident	76 Å²	76	43.1 Å²	43.1	40%	0.398	21%	0.213	S	C	.	.			trans	-75.1	101.3	174	-179.6	62.9	0	0	0	109.7	L769 V817	L767-L769 HydrophobicContact CD2-CD2 3.68Å; L767-L769 HydrophobicContact CG-CD2 3.88Å; L767-L769 PolarHBondContact O-N 2.99Å; L767-V817 HydrophobicContact CD1-CG1 4.22Å; L767-V817 HydrophobicContact CD1-CG2 4.47Å
768	D	79.6	Confident	86.8	Confident	38 Å²	38	42.8 Å²	42.8	20%	0.203	21%	0.212	C	C	.	.			trans	-85.9	100.3	170.2	-166.1	-16	0	0	0	110.4	P766 R770 K771	P766-D768 PolarHBondContact O-N 3.21Å; P766-D768 VanDerWaalsContact O-N 3.13Å; D768-R770 PolarHBondContact O-N 3.47Å; D768-R770 WeakPolarHBondContact OD1-CB 3.22Å; D768-R770 WeakPolarHBondContact OD1-CG 3.47Å; D768-R770 IonicContact OD1-CZ 2.64Å; D768-R770 PolarHBondContact OD1-N 3.08Å; D768-R770 IonicContact OD1-NE 2.76Å; D768-R770 PolarHBondContact OD1-NE 3.34Å; D768-R770 IonicContact OD1-NH2 3.03Å; D768-R770 IonicContact OD2-CZ 2.67Å; D768-R770 IonicContact OD2-NE 3.73Å; D768-R770 PolarHBondContact OD2-NE 3.5Å; D768-R770 IonicContact OD2-NH2 2.73Å; D768-R770 PolarHBondContact OD2-NH2 2.93Å; D768-K771 HydrophobicContact CB-CB 4.41Å; D768-K771 HydrophobicContact CB-CD 4.22Å; D768-K771 HydrophobicContact CB-CG 4.2Å; D768-K771 PolarHBondContact O-N 3.12Å; D768-K771 VanDerWaalsContact OD2-CE 3.25Å; D768-K771 WeakPolarHBondContact OD2-CE 3.37Å
769	L	71.5	Confident	86.8	Confident	81 Å²	81	43 Å²	43	42%	0.424	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-14.4	178.8	-59.6	175.8	0	0	0	113.5	L767 K771 L794 R1032	L767-L769 HydrophobicContact CD2-CD2 3.68Å; L767-L769 HydrophobicContact CG-CD2 3.88Å; L767-L769 PolarHBondContact O-N 2.99Å; L769-K771 VanDerWaalsContact C-N 3.28Å; L769-L794 HydrophobicContact CB-CD1 4.23Å; L769-L794 HydrophobicContact CD2-CD1 3.4Å; L769-L794 HydrophobicContact CG-CD1 4.4Å; L769-R1032 PolarHBondContact O-NE 3.01Å
770	R	71	Confident	86.7	Confident	148 Å²	148	45.7 Å²	45.7	56%	0.558	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-15.9	176.8	-50.6	175.5	-71	-176.9	2.9	112	D768 V1028	D768-R770 PolarHBondContact O-N 3.47Å; D768-R770 WeakPolarHBondContact OD1-CB 3.22Å; D768-R770 WeakPolarHBondContact OD1-CG 3.47Å; D768-R770 IonicContact OD1-CZ 2.64Å; D768-R770 PolarHBondContact OD1-N 3.08Å; D768-R770 IonicContact OD1-NE 2.76Å; D768-R770 PolarHBondContact OD1-NE 3.34Å; D768-R770 IonicContact OD1-NH2 3.03Å; D768-R770 IonicContact OD2-CZ 2.67Å; D768-R770 IonicContact OD2-NE 3.73Å; D768-R770 PolarHBondContact OD2-NE 3.5Å; D768-R770 IonicContact OD2-NH2 2.73Å; D768-R770 PolarHBondContact OD2-NH2 2.93Å; R770-V1028 HydrophobicContact CB-CG1 3.78Å; R770-V1028 HydrophobicContact CG-CG1 3.58Å
771	K	76.7	Confident	86.7	Confident	41 Å²	41	49.5 Å²	49.5	18%	0.178	25%	0.252	C	S	.	.			trans	-120.5	111.5	-169.5	-59.9	-171.5	-172.4	-173.3	0	112.4	D768 L769 V774 E880 E881	D768-K771 HydrophobicContact CB-CB 4.41Å; D768-K771 HydrophobicContact CB-CD 4.22Å; D768-K771 HydrophobicContact CB-CG 4.2Å; D768-K771 PolarHBondContact O-N 3.12Å; D768-K771 VanDerWaalsContact OD2-CE 3.25Å; D768-K771 WeakPolarHBondContact OD2-CE 3.37Å; L769-K771 VanDerWaalsContact C-N 3.28Å; K771-V774 HydrophobicContact CB-CG2 3.99Å; K771-V774 HydrophobicContact CD-CG2 3.82Å; K771-V774 HydrophobicContact CG-CG2 4.39Å; K771-E880 WeakPolarHBondContact CE-O 3.41Å; K771-E880 PolarHBondContact NZ-O 3.3Å; K771-E881 IonicContact NZ-OE1 3.68Å; K771-E881 PolarHBondContact NZ-OE1 3.24Å; K771-E881 IonicContact NZ-OE2 3.3Å; K771-E881 PolarHBondContact NZ-OE2 3.2Å
772	D	87.2	Confident	86.9	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.011	25%	0.248	C	C	.	.	S	Bend	trans	-119.9	10.2	178.8	68.6	-3.3	0	0	0	114.4	R757 I759 L794 R796 R1035	R757-D772 IonicContact NH2-OD1 2.83Å; R757-D772 IonicContact NH2-OD2 3.93Å; R757-D772 PolarHBondContact NH2-OD2 3Å; R757-D772 VanDerWaalsContact NH2-OD2 3.11Å; I759-D772 HydrophobicContact CD1-CB 3.77Å; D772-L794 HydrophobicContact CB-CD2 4.13Å; D772-R796 IonicContact OD2-CZ 3.73Å; D772-R796 VanDerWaalsContact OD2-CZ 3.27Å; D772-R796 IonicContact OD2-NH1 2.85Å; D772-R796 PolarHBondContact OD2-NH1 2.91Å; D772-R796 IonicContact OD2-NH2 3.39Å; D772-R796 PolarHBondContact OD2-NH2 3.43Å; D772-R796 VanDerWaalsContact OD2-NH2 3.12Å; D772-R1035 IonicContact OD1-CZ 3.55Å; D772-R1035 VanDerWaalsContact OD1-CZ 3.29Å; D772-R1035 IonicContact OD1-NE 3.43Å; D772-R1035 PolarHBondContact OD1-NE 3.43Å; D772-R1035 IonicContact OD1-NH2 3.56Å; D772-R1035 PolarHBondContact OD1-NH2 3.3Å; D772-R1035 IonicContact OD2-NE 3.8Å; D772-R1035 IonicContact OD2-NH2 3.54Å
773	N	93.5	Very high	87	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.011	27%	0.273	C	S	.	.	S	Bend	trans	-141.1	15.8	-170.6	59.1	-12.5	0	0	0	114.6	R873 Q957 L958 A959 D960 R1035	N773-R873 PolarHBondContact ND2-NH2 3.29Å; N773-R873 PolarHBondContact OD1-NH2 3.08Å; N773-Q957 WeakPolarHBondContact CB-O 3.43Å; N773-L958 PolarHBondContact ND2-O 3.17Å; N773-L958 VanDerWaalsContact O-CD2 3.29Å; N773-L958 WeakPolarHBondContact O-CD2 3.3Å; N773-A959 PolarHBondContact ND2-O 2.82Å; N773-A959 VanDerWaalsContact ND2-O 3.11Å; N773-D960 PolarHBondContact ND2-OD1 2.96Å; N773-R1035 PolarHBondContact ND2-NH2 3.3Å
774	V	93.4	Very high	87.2	Confident	22 Å²	22	51.4 Å²	51.4	13%	0.133	27%	0.269	C	S	.	.	S	Bend	trans	-75.5	-51.7	178	177	0	0	0	0	110.7	K771 S872 R873 E880	K771-V774 HydrophobicContact CB-CG2 3.99Å; K771-V774 HydrophobicContact CD-CG2 3.82Å; K771-V774 HydrophobicContact CG-CG2 4.39Å; V774-S872 CarbonylContact O-C 3.56Å; V774-S872 WeakPolarHBondContact O-CA 3.36Å; V774-R873 PolarHBondContact O-N 3.27Å; V774-E880 HydrophobicContact CG1-CB 3.95Å; V774-E880 HydrophobicContact CG1-CG 3.7Å
775	T	94.2	Very high	87.7	Confident	27 Å²	27	46.4 Å²	46.4	17%	0.166	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	108.9	173.6	-59.3	0	0	0	0	108.8	L760 I870 T871 S872	L760-T775 HydrophobicContact CB-CG2 3.87Å; L760-T775 HydrophobicContact CD2-CG2 4.41Å; L760-T775 PolarHBondContact N-O 3.18Å; L760-T775 VanDerWaalsContact N-O 3.1Å; T775-I870 HydrophobicContact CG2-CG2 3.72Å; T775-T871 CarbonylContact C-O 3.51Å; T775-T871 WeakPolarHBondContact CA-O 3.45Å; T775-S872 WeakPolarHBondContact OG1-CB 3.45Å
776	V	95.5	Very high	88.3	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	144.4	-178.2	-59.7	0	0	0	0	110.9	A758 T871 Q957 L958	A758-V776 CarbonylContact O-C 3.59Å; A758-V776 WeakPolarHBondContact O-CA 3.28Å; V776-T871 PolarHBondContact N-O 3.46Å; V776-T871 PolarHBondContact O-N 3.35Å; V776-Q957 HydrophobicContact CG2-CB 4.31Å; V776-L958 HydrophobicContact CG2-CD2 4.3Å
777	V	96.6	Very high	89	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	122.1	177.6	-173.4	0	0	0	0	107.8	R757 A758 L760 L782 L818 I868 L869 I870	R757-V777 WeakPolarHBondContact CA-O 3.33Å; A758-V777 HydrophobicContact CB-CB 4.33Å; A758-V777 PolarHBondContact N-O 3.08Å; A758-V777 PolarHBondContact O-N 2.96Å; L760-V777 HydrophobicContact CB-CG2 3.74Å; V777-L782 HydrophobicContact CG1-CD2 3.99Å; V777-L818 HydrophobicContact CB-CD1 4.47Å; V777-L818 HydrophobicContact CG1-CD1 4.48Å; V777-L818 HydrophobicContact CG2-CD1 4.23Å; V777-I868 HydrophobicContact CG1-CG2 3.3Å; V777-L869 WeakPolarHBondContact CA-O 3.3Å; V777-I870 HydrophobicContact CG2-CG1 4.43Å
778	N	96.2	Very high	89.9	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	153.1	178.4	-62.7	112.9	0	0	0	110.3	L754 E756 I868 L869 Q957	L754-N778 HydrophobicContact CD2-CB 3.83Å; E756-N778 PolarHBondContact O-ND2 3.42Å; N778-I868 WeakPolarHBondContact O-CA 3.36Å; N778-L869 PolarHBondContact N-O 2.89Å; N778-L869 PolarHBondContact O-N 2.83Å; N778-Q957 PolarHBondContact ND2-NE2 3.06Å; N778-Q957 PolarHBondContact ND2-OE1 3.46Å; N778-Q957 VanDerWaalsContact ND2-OE1 3.12Å; N778-Q957 PolarHBondContact OD1-NE2 3.25Å
779	G	94.4	Very high	90.5	Very high	4 Å²	4	45.3 Å²	45.3	4%	0.041	23%	0.234	C	C	.	.			trans	173.2	155.7	-179.7	0	0	0	0	0	110.1	H753 N781	H753-G779 PolarHBondContact O-N 2.66Å; G779-N781 PolarHBondContact O-N 3Å
780	T	92.6	Very high	91.5	Very high	73 Å²	73	45.7 Å²	45.7	45%	0.448	24%	0.236	S	C	.	.	S	Bend	trans	-68.5	-24.9	173.1	51.3	0	0	0	0	112.4	H753 V864	H753-T780 HydrophobicContact CB-CG2 3.87Å; T780-V864 HydrophobicContact CG2-CG1 3.49Å; T780-V864 VanDerWaalsContact CG2-CG1 3.49Å
781	N	92.9	Very high	92.5	Very high	88 Å²	88	41.7 Å²	41.7	47%	0.471	23%	0.228	S	C	.	.			trans	-145.2	113.6	175.6	-179	6.8	0	0	0	110.3	G779 Q783 P784	G779-N781 PolarHBondContact O-N 3Å; N781-Q783 WeakPolarHBondContact OD1-CB 3.38Å; N781-Q783 VanDerWaalsContact OD1-CG 3.27Å; N781-Q783 WeakPolarHBondContact OD1-CG 3.27Å; N781-Q783 PolarHBondContact OD1-N 3.29Å; N781-P784 WeakPolarHBondContact O-CD 3.03Å
782	L	93.7	Very high	93.2	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.026	24%	0.241	C	C	.	.			trans	-92.8	-3.4	178.7	-60.8	-178.8	0	0	0	113.6	A758 V777 P784 I785 M786 I868	A758-L782 HydrophobicContact CB-CD1 4.01Å; V777-L782 HydrophobicContact CG1-CD2 3.99Å; L782-P784 VanDerWaalsContact C-N 3.34Å; L782-I785 WeakPolarHBondContact O-CG2 3.44Å; L782-I785 PolarHBondContact O-N 3.42Å; L782-M786 HydrophobicContact CB-CG 4.22Å; L782-M786 HydrophobicContact CB-SD 3.77Å; L782-M786 WeakPolarHBondContact O-CB 3.42Å; L782-M786 VanDerWaalsContact O-CG 3.26Å; L782-M786 WeakPolarHBondContact O-CG 3.34Å; L782-M786 PolarHBondContact O-N 2.85Å; L782-I868 HydrophobicContact CD2-CG1 4.43Å; L782-I868 HydrophobicContact CD2-CG2 4.48Å
783	Q	93.6	Very high	93.3	Very high	115 Å²	115	47.6 Å²	47.6	54%	0.537	27%	0.266	S	S	.	.	H	α-helix	trans	-54.9	-38.2	178.8	-66.3	-63.4	-35.9	0	0	114.7	N781 I785 M786 S787	N781-Q783 WeakPolarHBondContact OD1-CB 3.38Å; N781-Q783 VanDerWaalsContact OD1-CG 3.27Å; N781-Q783 WeakPolarHBondContact OD1-CG 3.27Å; N781-Q783 PolarHBondContact OD1-N 3.29Å; Q783-I785 VanDerWaalsContact C-N 3.29Å; Q783-I785 PolarHBondContact O-N 3.36Å; Q783-M786 PolarHBondContact O-N 3.48Å; Q783-S787 WeakPolarHBondContact O-CB 3.38Å; Q783-S787 PolarHBondContact O-N 2.99Å; Q783-S787 PolarHBondContact O-OG 2.94Å
784	P	92.7	Very high	92.9	Very high	61 Å²	61	48 Å²	48	40%	0.396	27%	0.268	S	S	.	.	H	α-helix	trans	-56.6	-40.9	178.7	-27.9	36.7	0	0	0	113.5	N781 L782 S787 K788 V842 I868	N781-P784 WeakPolarHBondContact O-CD 3.03Å; L782-P784 VanDerWaalsContact C-N 3.34Å; P784-S787 PolarHBondContact O-OG 3.47Å; P784-K788 WeakPolarHBondContact O-CG 3.3Å; P784-V842 HydrophobicContact CB-CG1 4.23Å; P784-V842 WeakPolarHBondContact O-CG2 3.32Å; P784-I868 HydrophobicContact CB-CD1 4.48Å
785	I	92.6	Very high	92.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-83.1	-40.9	176.7	-167.6	168.8	0	0	0	111.9	L782 Q783 S787 K788 V789 L818 V839 V842 V844 I868	L782-I785 WeakPolarHBondContact O-CG2 3.44Å; L782-I785 PolarHBondContact O-N 3.42Å; Q783-I785 VanDerWaalsContact C-N 3.29Å; Q783-I785 PolarHBondContact O-N 3.36Å; I785-S787 PolarHBondContact O-N 3.35Å; I785-K788 PolarHBondContact O-N 2.98Å; I785-V789 HydrophobicContact CG1-CG1 4.24Å; I785-V789 WeakPolarHBondContact O-CG1 3.39Å; I785-V789 WeakPolarHBondContact O-CG2 3.38Å; I785-L818 HydrophobicContact CD1-CD1 3.89Å; I785-L818 HydrophobicContact CG1-CD1 4.06Å; I785-L818 HydrophobicContact CG2-CD1 3.74Å; I785-V839 HydrophobicContact CD1-CB 4.15Å; I785-V839 HydrophobicContact CD1-CG1 3.81Å; I785-V839 HydrophobicContact CG1-CG1 4.48Å; I785-V842 HydrophobicContact CB-CG1 4.25Å; I785-V844 HydrophobicContact CD1-CG1 4.32Å; I785-I868 HydrophobicContact CB-CD1 4.06Å; I785-I868 HydrophobicContact CG2-CD1 3.89Å
786	M	93.5	Very high	92.5	Very high	43 Å²	43	49.8 Å²	49.8	21%	0.212	28%	0.277	C	S	.	.	H	α-helix	trans	-60.8	-31	-179.3	-71.4	175.4	75.7	0	0	112.9	L782 Q783 K788 V791 P816 L818	L782-M786 HydrophobicContact CB-CG 4.22Å; L782-M786 HydrophobicContact CB-SD 3.77Å; L782-M786 WeakPolarHBondContact O-CB 3.42Å; L782-M786 VanDerWaalsContact O-CG 3.26Å; L782-M786 WeakPolarHBondContact O-CG 3.34Å; L782-M786 PolarHBondContact O-N 2.85Å; Q783-M786 PolarHBondContact O-N 3.48Å; M786-K788 VanDerWaalsContact C-N 3.28Å; M786-K788 PolarHBondContact O-N 3.16Å; M786-V791 HydrophobicContact CB-CG2 4.01Å; M786-V791 HydrophobicContact CE-CG1 4.04Å; M786-V791 HydrophobicContact CG-CG2 4.25Å; M786-V791 WeakPolarHBondContact O-CG2 3.46Å; M786-P816 HydrophobicContact CE-CB 4.11Å; M786-P816 HydrophobicContact CE-CG 4.09Å; M786-L818 HydrophobicContact CG-CD2 3.67Å
787	S	94.1	Very high	92.2	Very high	86 Å²	86	55.6 Å²	55.6	60%	0.601	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-8.8	177.6	63.3	0	0	0	0	114.8	Q783 P784 I785	Q783-S787 WeakPolarHBondContact O-CB 3.38Å; Q783-S787 PolarHBondContact O-N 2.99Å; Q783-S787 PolarHBondContact O-OG 2.94Å; P784-S787 PolarHBondContact O-OG 3.47Å; I785-S787 PolarHBondContact O-N 3.35Å
788	K	93.1	Very high	92.1	Very high	136 Å²	136	55.9 Å²	55.9	59%	0.591	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-5.3	-176.4	-64.8	-66.1	-175.6	-180	0	113.7	P784 I785 M786 E840 V842	P784-K788 WeakPolarHBondContact O-CG 3.3Å; I785-K788 PolarHBondContact O-N 2.98Å; M786-K788 VanDerWaalsContact C-N 3.28Å; M786-K788 PolarHBondContact O-N 3.16Å; K788-E840 HydrophobicContact CB-CB 4.27Å; K788-V842 HydrophobicContact CB-CG2 4.29Å; K788-V842 HydrophobicContact CG-CG2 3.82Å
789	V	92.4	Very high	92	Very high	18 Å²	18	61.8 Å²	61.8	11%	0.109	33%	0.334	C	S	.	.	S	Bend	trans	-132.3	160	-170.4	-52.4	0	0	0	0	110.4	I785 V791 L818 I820 E840	I785-V789 HydrophobicContact CG1-CG1 4.24Å; I785-V789 WeakPolarHBondContact O-CG1 3.39Å; I785-V789 WeakPolarHBondContact O-CG2 3.38Å; V789-V791 HydrophobicContact CG2-CG2 3.89Å; V789-V791 PolarHBondContact O-N 3.39Å; V789-L818 HydrophobicContact CG2-CB 3.92Å; V789-L818 HydrophobicContact CG2-CD2 3.89Å; V789-L818 HydrophobicContact CG2-CG 4.39Å; V789-I820 HydrophobicContact CB-CG2 4.34Å; V789-I820 HydrophobicContact CG1-CG2 3.69Å; V789-E840 HydrophobicContact CG1-CB 4.24Å; V789-E840 HydrophobicContact CG1-CG 3.89Å
790	D	91	Very high	92.1	Very high	89 Å²	89	61.6 Å²	61.6	48%	0.476	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	118.5	169.3	-67.5	-34.5	0	0	0	108.5	K763 E819	K763-D790 VanDerWaalsContact CE-OD2 3.23Å; K763-D790 WeakPolarHBondContact CE-OD2 3.36Å; K763-D790 IonicContact NZ-OD2 3.3Å; K763-D790 PolarHBondContact NZ-OD2 3.04Å; D790-E819 HydrophobicContact CB-CB 4.19Å; D790-E819 WeakPolarHBondContact O-CB 3.38Å; D790-E819 PolarHBondContact O-N 2.88Å
791	V	92.8	Very high	92.2	Very high	64 Å²	64	58.9 Å²	58.9	39%	0.388	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	113.8	-179.8	-176.2	0	0	0	0	109.6	M786 V789 P816 V817 L818	M786-V791 HydrophobicContact CB-CG2 4.01Å; M786-V791 HydrophobicContact CE-CG1 4.04Å; M786-V791 HydrophobicContact CG-CG2 4.25Å; M786-V791 WeakPolarHBondContact O-CG2 3.46Å; V789-V791 HydrophobicContact CG2-CG2 3.89Å; V789-V791 PolarHBondContact O-N 3.39Å; V791-P816 HydrophobicContact CG1-CB 3.92Å; V791-V817 WeakPolarHBondContact CA-O 3.49Å; V791-L818 HydrophobicContact CG1-CD2 4.45Å; V791-L818 HydrophobicContact CG2-CD2 3.95Å
792	K	91.1	Very high	92.3	Very high	101 Å²	101	56.8 Å²	56.8	44%	0.439	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	162.5	166.6	-64	-166.3	-176.7	150.9	0	110.6	P816 V817 E819	K792-P816 CarbonylContact O-C 3.56Å; K792-P816 WeakPolarHBondContact O-CA 3.42Å; K792-V817 HydrophobicContact CB-CB 4.23Å; K792-V817 PolarHBondContact N-O 2.99Å; K792-V817 PolarHBondContact O-N 3.42Å; K792-E819 WeakPolarHBondContact CD-OE1 3.33Å; K792-E819 WeakPolarHBondContact CE-OE1 3.37Å; K792-E819 VanDerWaalsContact CE-OE2 3.23Å; K792-E819 WeakPolarHBondContact CE-OE2 3.37Å; K792-E819 IonicContact NZ-OE1 2.89Å; K792-E819 PolarHBondContact NZ-OE1 3.22Å; K792-E819 IonicContact NZ-OE2 2.79Å; K792-E819 PolarHBondContact NZ-OE2 2.95Å
793	A	88.4	Confident	92.2	Very high	65 Å²	65	57.8 Å²	57.8	54%	0.537	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.1	178.1	0	0	0	0	0	110.1	V795 V814	A793-V795 HydrophobicContact CB-CG2 4.02Å; A793-V814 HydrophobicContact CB-CG1 3.86Å
794	L	87.2	Confident	92	Very high	10 Å²	10	54.8 Å²	54.8	5%	0.052	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	100.8	164.2	-173.6	68.6	0	0	0	107.7	I759 L769 D772 R796 V815 V817	I759-L794 HydrophobicContact CD1-CD2 4.12Å; L769-L794 HydrophobicContact CB-CD1 4.23Å; L769-L794 HydrophobicContact CD2-CD1 3.4Å; L769-L794 HydrophobicContact CG-CD1 4.4Å; D772-L794 HydrophobicContact CB-CD2 4.13Å; L794-R796 VanDerWaalsContact CD2-NH2 3.32Å; L794-V815 HydrophobicContact CB-CB 4.33Å; L794-V815 PolarHBondContact N-O 3.27Å; L794-V815 PolarHBondContact O-N 3.47Å; L794-V817 HydrophobicContact CB-CG2 4.2Å
795	V	89	Confident	92	Very high	70 Å²	70	60.5 Å²	60.5	42%	0.424	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	137.5	-178.7	-172	0	0	0	0	109.9	A793 E812 V814	A793-V795 HydrophobicContact CB-CG2 4.02Å; V795-E812 HydrophobicContact CG1-CB 4.4Å; V795-E812 HydrophobicContact CG1-CG 4.37Å; V795-V814 HydrophobicContact CG1-CG2 4.4Å; V795-V814 HydrophobicContact CG2-CG1 4.48Å; V795-V814 HydrophobicContact CG2-CG2 4.23Å
796	R	88.8	Confident	91.9	Very high	18 Å²	18	65 Å²	65	7%	0.068	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	147.9	176.2	-60.1	176.6	-176	169.1	-0.2	109.4	D772 L794 E812 V813 A1036	D772-R796 IonicContact OD2-CZ 3.73Å; D772-R796 VanDerWaalsContact OD2-CZ 3.27Å; D772-R796 IonicContact OD2-NH1 2.85Å; D772-R796 PolarHBondContact OD2-NH1 2.91Å; D772-R796 IonicContact OD2-NH2 3.39Å; D772-R796 PolarHBondContact OD2-NH2 3.43Å; D772-R796 VanDerWaalsContact OD2-NH2 3.12Å; L794-R796 VanDerWaalsContact CD2-NH2 3.32Å; R796-E812 CarbonylContact O-C 3.53Å; R796-E812 WeakPolarHBondContact O-CA 3.48Å; R796-V813 PolarHBondContact N-O 3.05Å; R796-V813 PolarHBondContact O-N 2.99Å; R796-A1036 HydrophobicContact CB-CB 3.97Å
797	E	90.4	Very high	92	Very high	121 Å²	121	67.8 Å²	67.8	57%	0.565	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	139.2	170.1	-68.8	180	171.9	0	0	110.2	V810 E812	E797-V810 HydrophobicContact CB-CG1 4.14Å; E797-V810 HydrophobicContact CG-CG1 4.4Å; E797-E812 HydrophobicContact CG-CG 4.32Å
798	A	92.9	Very high	92	Very high	7 Å²	7	69.2 Å²	69.2	6%	0.058	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	144.3	173.3	0	0	0	0	0	110.8	V800 T811 A1036 K1037	A798-V800 HydrophobicContact CB-CG2 4.03Å; A798-V800 PolarHBondContact O-N 3.26Å; A798-T811 PolarHBondContact N-O 3.08Å; A798-T811 VanDerWaalsContact N-O 3.07Å; A798-T811 PolarHBondContact O-N 3.49Å; A798-A1036 HydrophobicContact CB-CB 4.07Å; A798-K1037 HydrophobicContact CB-CB 3.95Å
799	E	94.9	Very high	92.1	Very high	124 Å²	124	66.7 Å²	66.7	58%	0.579	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	113	168.2	-70.4	176.9	-178.5	0	0	109.1	I808 V810 K1037	E799-I808 HydrophobicContact CB-CG2 4.05Å; E799-V810 HydrophobicContact CG-CG2 4.08Å; E799-K1037 VanDerWaalsContact O-CD 3.28Å; E799-K1037 WeakPolarHBondContact O-CD 3.48Å; E799-K1037 WeakPolarHBondContact O-CE 3.44Å; E799-K1037 WeakPolarHBondContact O-CG 3.26Å
800	V	96.3	Very high	92.2	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143	-172.5	-177.5	0	0	0	0	109.6	A798 H802 I808 K809 K1037 K1040 A1041 T1044	A798-V800 HydrophobicContact CB-CG2 4.03Å; A798-V800 PolarHBondContact O-N 3.26Å; V800-H802 PolarHBondContact O-CD2 2.62Å; V800-H802 VanDerWaalsContact O-CD2 3.29Å; V800-I808 WeakPolarHBondContact O-CA 3.35Å; V800-K809 PolarHBondContact N-O 2.89Å; V800-K809 PolarHBondContact O-N 3.24Å; V800-K1037 HydrophobicContact CG2-CG 4.49Å; V800-K1040 HydrophobicContact CG1-CB 4.31Å; V800-K1040 HydrophobicContact CG1-CG 4.09Å; V800-K1040 HydrophobicContact CG2-CB 3.97Å; V800-K1040 HydrophobicContact CG2-CG 4.08Å; V800-A1041 HydrophobicContact CG1-CB 4.07Å; V800-T1044 VanDerWaalsContact CG1-OG1 3.24Å; V800-T1044 WeakPolarHBondContact CG1-OG1 3.44Å
801	V	94.4	Very high	92.3	Very high	16 Å²	16	67.1 Å²	67.1	10%	0.097	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	136	174.3	177.4	0	0	0	0	110.2	K806 E807 I808 T1044 T1045	V801-K806 VanDerWaalsContact CG1-CA 3.49Å; V801-K806 HydrophobicContact CG1-CB 3.79Å; V801-K806 HydrophobicContact CG1-CG 4.11Å; V801-E807 CarbonylContact C-O 3.58Å; V801-E807 WeakPolarHBondContact CA-O 3.41Å; V801-I808 HydrophobicContact CG2-CG1 4.21Å; V801-T1044 WeakPolarHBondContact O-CB 3.35Å; V801-T1044 PolarHBondContact O-OG1 3.13Å; V801-T1045 HydrophobicContact CB-CG2 3.93Å; V801-T1045 HydrophobicContact CG1-CG2 4.22Å; V801-T1045 VanDerWaalsContact O-CG2 3.29Å; V801-T1045 WeakPolarHBondContact O-CG2 3.32Å
802	H	94.7	Very high	92.3	Very high	43 Å²	43	70.1 Å²	70.1	20%	0.199	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	130.7	178.8	-69.2	-111.4	0	0	0	111.5	V800 E807 T811 T1044	V800-H802 PolarHBondContact O-CD2 2.62Å; V800-H802 VanDerWaalsContact O-CD2 3.29Å; H802-E807 PolarHBondContact N-O 3.33Å; H802-E807 PolarHBondContact O-N 2.87Å; H802-E807 VanDerWaalsContact O-N 3.15Å; H802-T811 PolarHBondContact NE2-OG1 3.48Å; H802-T1044 CarbonylContact C-O 3.55Å; H802-T1044 WeakPolarHBondContact CA-O 3.48Å
803	G	91.6	Very high	92.4	Very high	27 Å²	27	65.6 Å²	65.6	28%	0.278	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	-178.6	171.9	0	0	0	0	0	115.2	E805 K806 T1044	G803-E805 VanDerWaalsContact C-N 3.26Å; G803-E805 PolarHBondContact O-N 3.2Å; G803-K806 PolarHBondContact O-N 3.33Å; G803-T1044 PolarHBondContact N-O 3.07Å
804	P	90.8	Very high	92.5	Very high	52 Å²	52	66.1 Å²	66.1	34%	0.338	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-24.7	178.4	26.8	-34.2	0	0	0	113.3	H740 K806 T1046 Q1052	H740-P804 PolarHBondContact CE1-O 2.89Å; H740-P804 WeakPolarHBondContact NE2-CB 3.31Å; P804-K806 PolarHBondContact O-N 3.4Å; P804-T1046 HydrophobicContact CB-CG2 3.97Å; P804-Q1052 HydrophobicContact CB-CG 4.17Å; P804-Q1052 HydrophobicContact CG-CG 4.41Å
805	E	92.5	Very high	92.7	Very high	180 Å²	180	65.8 Å²	65.8	84%	0.841	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-6.1	177.3	-62.6	179.8	-178.7	0	0	113.1	G803 E807	G803-E805 VanDerWaalsContact C-N 3.26Å; G803-E805 PolarHBondContact O-N 3.2Å; E805-E807 VanDerWaalsContact C-N 3.34Å; E805-E807 PolarHBondContact O-N 3.45Å
806	K	90.9	Very high	93	Very high	96 Å²	96	63.8 Å²	63.8	42%	0.417	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	40.6	178.9	-58.4	-176.4	179.8	179.5	0	114.2	V801 G803 P804 I808	V801-K806 VanDerWaalsContact CG1-CA 3.49Å; V801-K806 HydrophobicContact CG1-CB 3.79Å; V801-K806 HydrophobicContact CG1-CG 4.11Å; G803-K806 PolarHBondContact O-N 3.33Å; P804-K806 PolarHBondContact O-N 3.4Å; K806-I808 PolarHBondContact O-N 2.87Å
807	E	94.5	Very high	93.2	Very high	101 Å²	101	63 Å²	63	47%	0.472	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	125.9	177.8	-166.1	-173.1	169.6	0	0	110.5	V801 H802 E805 K809	V801-E807 CarbonylContact C-O 3.58Å; V801-E807 WeakPolarHBondContact CA-O 3.41Å; H802-E807 PolarHBondContact N-O 3.33Å; H802-E807 PolarHBondContact O-N 2.87Å; H802-E807 VanDerWaalsContact O-N 3.15Å; E805-E807 VanDerWaalsContact C-N 3.34Å; E805-E807 PolarHBondContact O-N 3.45Å; E807-K809 VanDerWaalsContact CD-NZ 3.34Å; E807-K809 HydrophobicContact CG-CG 4.45Å; E807-K809 WeakPolarHBondContact OE1-CE 3.46Å; E807-K809 IonicContact OE1-NZ 3.29Å; E807-K809 PolarHBondContact OE1-NZ 3.23Å; E807-K809 WeakPolarHBondContact OE2-CE 3.4Å; E807-K809 IonicContact OE2-NZ 3.08Å; E807-K809 PolarHBondContact OE2-NZ 2.9Å
808	I	94.1	Very high	93.4	Very high	116 Å²	116	57.3 Å²	57.3	60%	0.595	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	120.9	179.2	-60.3	172.4	0	0	0	109.2	E799 V800 V801 K806	E799-I808 HydrophobicContact CB-CG2 4.05Å; V800-I808 WeakPolarHBondContact O-CA 3.35Å; V801-I808 HydrophobicContact CG2-CG1 4.21Å; K806-I808 PolarHBondContact O-N 2.87Å
809	K	95	Very high	93.4	Very high	82 Å²	82	57.5 Å²	57.5	36%	0.357	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.3	177.8	-64.2	-180	-178.1	167	0	110.9	V800 E807 T811	V800-K809 PolarHBondContact N-O 2.89Å; V800-K809 PolarHBondContact O-N 3.24Å; E807-K809 VanDerWaalsContact CD-NZ 3.34Å; E807-K809 HydrophobicContact CG-CG 4.45Å; E807-K809 WeakPolarHBondContact OE1-CE 3.46Å; E807-K809 IonicContact OE1-NZ 3.29Å; E807-K809 PolarHBondContact OE1-NZ 3.23Å; E807-K809 WeakPolarHBondContact OE2-CE 3.4Å; E807-K809 IonicContact OE2-NZ 3.08Å; E807-K809 PolarHBondContact OE2-NZ 2.9Å; K809-T811 PolarHBondContact O-N 3.21Å; K809-T811 PolarHBondContact O-OG1 3.42Å; K809-T811 VanDerWaalsContact O-OG1 3.04Å
810	V	94.9	Very high	93.3	Very high	96 Å²	96	51.8 Å²	51.8	58%	0.582	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	116.5	161.9	-177.6	0	0	0	0	107.1	E797 E799	E797-V810 HydrophobicContact CB-CG1 4.14Å; E797-V810 HydrophobicContact CG-CG1 4.4Å; E799-V810 HydrophobicContact CG-CG2 4.08Å
811	T	93.6	Very high	93	Very high	20 Å²	20	55.3 Å²	55.3	12%	0.123	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.6	-172.3	-52.4	0	0	0	0	109.2	A798 H802 K809 K1040	A798-T811 PolarHBondContact N-O 3.08Å; A798-T811 VanDerWaalsContact N-O 3.07Å; A798-T811 PolarHBondContact O-N 3.49Å; H802-T811 PolarHBondContact NE2-OG1 3.48Å; K809-T811 PolarHBondContact O-N 3.21Å; K809-T811 PolarHBondContact O-OG1 3.42Å; K809-T811 VanDerWaalsContact O-OG1 3.04Å; T811-K1040 HydrophobicContact CG2-CD 4.3Å; T811-K1040 HydrophobicContact CG2-CG 3.96Å
812	E	92.6	Very high	92.8	Very high	127 Å²	127	57.8 Å²	57.8	59%	0.593	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	127.7	169.1	-71.3	-172.8	158.7	0	0	110.4	V795 R796 E797	V795-E812 HydrophobicContact CG1-CB 4.4Å; V795-E812 HydrophobicContact CG1-CG 4.37Å; R796-E812 CarbonylContact O-C 3.53Å; R796-E812 WeakPolarHBondContact O-CA 3.48Å; E797-E812 HydrophobicContact CG-CG 4.32Å
813	V	92.2	Very high	92.5	Very high	6 Å²	6	56.3 Å²	56.3	4%	0.036	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	108.5	176.7	-174.2	0	0	0	0	107.6	R796 A1036 K1040	R796-V813 PolarHBondContact N-O 3.05Å; R796-V813 PolarHBondContact O-N 2.99Å; V813-A1036 HydrophobicContact CB-CB 4.1Å; V813-A1036 HydrophobicContact CG1-CB 4.34Å; V813-A1036 HydrophobicContact CG2-CB 4.06Å; V813-K1040 HydrophobicContact CG2-CB 3.82Å; V813-K1040 HydrophobicContact CG2-CG 4.29Å
814	V	91.9	Very high	92.5	Very high	76 Å²	76	57.1 Å²	57.1	46%	0.461	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	121.5	-177.3	-175.3	0	0	0	0	109.4	A793 V795	A793-V814 HydrophobicContact CB-CG1 3.86Å; V795-V814 HydrophobicContact CG1-CG2 4.4Å; V795-V814 HydrophobicContact CG2-CG1 4.48Å; V795-V814 HydrophobicContact CG2-CG2 4.23Å
815	V	91.6	Very high	92.5	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.024	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	115.7	172.6	-175.6	0	0	0	0	109	R757 I759 L794	R757-V815 HydrophobicContact CG-CG1 4.36Å; I759-V815 HydrophobicContact CD1-CG1 3.71Å; I759-V815 HydrophobicContact CG1-CG1 3.89Å; L794-V815 HydrophobicContact CB-CB 4.33Å; L794-V815 PolarHBondContact N-O 3.27Å; L794-V815 PolarHBondContact O-N 3.47Å
816	P	94.1	Very high	92.5	Very high	28 Å²	28	48.4 Å²	48.4	18%	0.182	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	137.7	175	-21.4	32.2	0	0	0	111.9	A758 I759 M786 V791 K792	A758-P816 CarbonylContact C-O 3.55Å; A758-P816 VanDerWaalsContact CA-O 3.29Å; A758-P816 WeakPolarHBondContact CA-O 3.42Å; A758-P816 HydrophobicContact CB-CB 4.01Å; I759-P816 PolarHBondContact N-O 2.95Å; M786-P816 HydrophobicContact CE-CB 4.11Å; M786-P816 HydrophobicContact CE-CG 4.09Å; V791-P816 HydrophobicContact CG1-CB 3.92Å; K792-P816 CarbonylContact O-C 3.56Å; K792-P816 WeakPolarHBondContact O-CA 3.42Å
817	V	94.3	Very high	92.6	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	111	172.6	-177.5	0	0	0	0	107.7	I759 R761 L767 V791 K792 L794 E819	I759-V817 HydrophobicContact CB-CG2 4.35Å; I759-V817 HydrophobicContact CD1-CG2 4.08Å; I759-V817 CarbonylContact O-C 3.54Å; I759-V817 WeakPolarHBondContact O-CA 3.35Å; R761-V817 HydrophobicContact CB-CG1 4.37Å; L767-V817 HydrophobicContact CD1-CG1 4.22Å; L767-V817 HydrophobicContact CD1-CG2 4.47Å; V791-V817 WeakPolarHBondContact CA-O 3.49Å; K792-V817 HydrophobicContact CB-CB 4.23Å; K792-V817 PolarHBondContact N-O 2.99Å; K792-V817 PolarHBondContact O-N 3.42Å; L794-V817 HydrophobicContact CB-CG2 4.2Å; V817-E819 HydrophobicContact CG1-CG 4.43Å; V817-E819 PolarHBondContact O-N 3.39Å
818	L	94.6	Very high	92.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	103.8	179.5	-50.6	-176	0	0	0	108.8	A758 I759 L760 R761 V777 I785 M786 V789 V791	A758-L818 HydrophobicContact CB-CD1 3.88Å; A758-L818 HydrophobicContact CB-CD2 4.13Å; A758-L818 HydrophobicContact CB-CG 3.79Å; I759-L818 PolarHBondContact O-N 3.05Å; L760-L818 HydrophobicContact CD1-CB 3.95Å; L760-L818 HydrophobicContact CD1-CD1 4.48Å; R761-L818 PolarHBondContact N-O 3.2Å; V777-L818 HydrophobicContact CB-CD1 4.47Å; V777-L818 HydrophobicContact CG1-CD1 4.48Å; V777-L818 HydrophobicContact CG2-CD1 4.23Å; I785-L818 HydrophobicContact CD1-CD1 3.89Å; I785-L818 HydrophobicContact CG1-CD1 4.06Å; I785-L818 HydrophobicContact CG2-CD1 3.74Å; M786-L818 HydrophobicContact CG-CD2 3.67Å; V789-L818 HydrophobicContact CG2-CB 3.92Å; V789-L818 HydrophobicContact CG2-CD2 3.89Å; V789-L818 HydrophobicContact CG2-CG 4.39Å; V791-L818 HydrophobicContact CG1-CD2 4.45Å; V791-L818 HydrophobicContact CG2-CD2 3.95Å
819	E	92.9	Very high	92.6	Very high	12 Å²	12	40.6 Å²	40.6	6%	0.056	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	105.2	177.6	-62	-169.4	160.8	0	0	110.7	R761 K763 D790 K792 V817	R761-E819 IonicContact CZ-OE1 2.69Å; R761-E819 IonicContact NH1-OE1 2.66Å; R761-E819 PolarHBondContact NH1-OE1 3.32Å; R761-E819 IonicContact NH2-OE1 2.66Å; R761-E819 PolarHBondContact NH2-OE1 3.05Å; R761-E819 IonicContact NH2-OE2 3.58Å; R761-E819 WeakPolarHBondContact O-CA 3.38Å; K763-E819 HydrophobicContact CG-CB 4.21Å; D790-E819 HydrophobicContact CB-CB 4.19Å; D790-E819 WeakPolarHBondContact O-CB 3.38Å; D790-E819 PolarHBondContact O-N 2.88Å; K792-E819 WeakPolarHBondContact CD-OE1 3.33Å; K792-E819 WeakPolarHBondContact CE-OE1 3.37Å; K792-E819 VanDerWaalsContact CE-OE2 3.23Å; K792-E819 WeakPolarHBondContact CE-OE2 3.37Å; K792-E819 IonicContact NZ-OE1 2.89Å; K792-E819 PolarHBondContact NZ-OE1 3.22Å; K792-E819 IonicContact NZ-OE2 2.79Å; K792-E819 PolarHBondContact NZ-OE2 2.95Å; V817-E819 HydrophobicContact CG1-CG 4.43Å; V817-E819 PolarHBondContact O-N 3.39Å
820	I	92.5	Very high	92.4	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	160	178.9	63.1	169.9	0	0	0	111	L760 R761 G762 K763 V789 T822 T823 V839 E840	L760-I820 HydrophobicContact CD1-CD1 3.94Å; L760-I820 HydrophobicContact CD1-CG1 4.23Å; L760-I820 HydrophobicContact CD1-CG2 3.79Å; L760-I820 HydrophobicContact CD2-CD1 4.19Å; L760-I820 HydrophobicContact CG-CD1 4.06Å; R761-I820 WeakPolarHBondContact O-CG1 3.34Å; R761-I820 PolarHBondContact O-N 3.01Å; G762-I820 CarbonylContact C-O 3.56Å; G762-I820 WeakPolarHBondContact CA-O 3.3Å; K763-I820 WeakPolarHBondContact CG-O 3.43Å; K763-I820 PolarHBondContact N-O 3.41Å; V789-I820 HydrophobicContact CB-CG2 4.34Å; V789-I820 HydrophobicContact CG1-CG2 3.69Å; I820-T822 VanDerWaalsContact C-N 3.34Å; I820-T822 WeakPolarHBondContact CD1-O 3.49Å; I820-T822 PolarHBondContact O-N 3.09Å; I820-T823 HydrophobicContact CD1-CG2 3.95Å; I820-T823 HydrophobicContact CG1-CG2 4.3Å; I820-V839 HydrophobicContact CB-CG1 4.38Å; I820-V839 HydrophobicContact CD1-CG1 3.97Å; I820-V839 HydrophobicContact CG2-CG1 3.58Å; I820-E840 HydrophobicContact CB-CG 4.25Å; I820-E840 HydrophobicContact CG2-CG 4.05Å
821	S	90.1	Very high	92.2	Very high	73 Å²	73	36.8 Å²	36.8	51%	0.51	23%	0.225	S	C	.	.	S	Bend	trans	-58.9	-43.4	-178.8	53.4	0	0	0	0	112.6	E840	S821-E840 VanDerWaalsContact CB-OE1 3.3Å; S821-E840 WeakPolarHBondContact CB-OE1 3.47Å; S821-E840 PolarHBondContact N-OE1 2.78Å; S821-E840 PolarHBondContact OG-OE1 3.48Å
822	T	89.2	Confident	92	Very high	69 Å²	69	39.9 Å²	39.9	42%	0.423	24%	0.244	S	C	.	.			trans	-154.8	146.1	174.9	177.3	0	0	0	0	111.6	I820 A824	I820-T822 VanDerWaalsContact C-N 3.34Å; I820-T822 WeakPolarHBondContact CD1-O 3.49Å; I820-T822 PolarHBondContact O-N 3.09Å; T822-A824 VanDerWaalsContact C-N 3.31Å; T822-A824 HydrophobicContact CG2-CB 4.3Å; T822-A824 WeakPolarHBondContact OG1-CB 3.44Å; T822-A824 PolarHBondContact OG1-N 2.96Å; T822-A824 VanDerWaalsContact OG1-N 3.15Å
823	T	89.6	Confident	91.7	Very high	12 Å²	12	35.2 Å²	35.2	7%	0.074	23%	0.23	C	C	.	.	S	Bend	trans	-84.1	-0.2	172.2	46.2	0	0	0	0	114	I820 A825 V826 E827	I820-T823 HydrophobicContact CD1-CG2 3.95Å; I820-T823 HydrophobicContact CG1-CG2 4.3Å; T823-A825 VanDerWaalsContact C-N 3.29Å; T823-A825 PolarHBondContact O-N 3.44Å; T823-A825 VanDerWaalsContact O-N 3.16Å; T823-V826 WeakPolarHBondContact O-CA 3.28Å; T823-V826 WeakPolarHBondContact O-CB 3.47Å; T823-V826 PolarHBondContact O-N 3.38Å; T823-E827 WeakPolarHBondContact O-CG 3.43Å; T823-E827 PolarHBondContact O-N 3.1Å; T823-E827 PolarHBondContact OG1-OE1 3.27Å
824	A	90.7	Very high	91.7	Very high	43 Å²	43	39.2 Å²	39.2	36%	0.355	25%	0.249	S	C	.	.	H	α-helix	trans	-54.7	-39	-172.5	0	0	0	0	0	114.1	T822 E827 T828	T822-A824 VanDerWaalsContact C-N 3.31Å; T822-A824 HydrophobicContact CG2-CB 4.3Å; T822-A824 WeakPolarHBondContact OG1-CB 3.44Å; T822-A824 PolarHBondContact OG1-N 2.96Å; T822-A824 VanDerWaalsContact OG1-N 3.15Å; A824-E827 PolarHBondContact O-N 3.13Å; A824-T828 WeakPolarHBondContact O-CB 3.35Å; A824-T828 PolarHBondContact O-N 3.27Å; A824-T828 PolarHBondContact O-OG1 2.9Å
825	A	91.8	Very high	91.6	Very high	42 Å²	42	37.3 Å²	37.3	35%	0.347	24%	0.237	S	C	.	.	H	α-helix	trans	-66.2	-37.6	177.9	0	0	0	0	0	112.4	T823 M829	T823-A825 VanDerWaalsContact C-N 3.29Å; T823-A825 PolarHBondContact O-N 3.44Å; T823-A825 VanDerWaalsContact O-N 3.16Å; A825-M829 WeakPolarHBondContact O-CB 3.42Å; A825-M829 PolarHBondContact O-N 3.44Å
826	V	92.1	Very high	91.7	Very high	8 Å²	8	42.4 Å²	42.4	5%	0.048	26%	0.261	C	S	.	.	H	α-helix	trans	-73.5	-42.1	176.7	176	0	0	0	0	110.5	L760 T823 T828 M829 V830 T837 V839 I870	L760-V826 HydrophobicContact CD2-CG1 4.44Å; L760-V826 HydrophobicContact CD2-CG2 3.9Å; T823-V826 WeakPolarHBondContact O-CA 3.28Å; T823-V826 WeakPolarHBondContact O-CB 3.47Å; T823-V826 PolarHBondContact O-N 3.38Å; V826-T828 VanDerWaalsContact C-N 3.32Å; V826-T828 PolarHBondContact O-N 2.94Å; V826-M829 HydrophobicContact CG1-CE 4.36Å; V826-M829 WeakPolarHBondContact O-CB 3.45Å; V826-M829 PolarHBondContact O-N 2.92Å; V826-V830 HydrophobicContact CG1-CG2 4.49Å; V826-V830 WeakPolarHBondContact O-CG2 3.31Å; V826-V830 PolarHBondContact O-N 2.91Å; V826-T837 HydrophobicContact CG2-CG2 4.25Å; V826-V839 HydrophobicContact CG2-CG2 3.53Å; V826-I870 HydrophobicContact CG1-CD1 4.15Å; V826-I870 HydrophobicContact CG1-CG2 3.9Å; V826-I870 HydrophobicContact CG2-CD1 3.79Å
827	E	92.2	Very high	91.7	Very high	82 Å²	82	42.7 Å²	42.7	38%	0.383	26%	0.262	S	S	.	.	H	α-helix	trans	-62.1	-40.7	175.4	-70.1	169.1	-174.5	0	0	111.5	K765 T823 A824 V830 S831	K765-E827 IonicContact NZ-OE1 3.01Å; K765-E827 PolarHBondContact NZ-OE1 3.33Å; T823-E827 WeakPolarHBondContact O-CG 3.43Å; T823-E827 PolarHBondContact O-N 3.1Å; T823-E827 PolarHBondContact OG1-OE1 3.27Å; A824-E827 PolarHBondContact O-N 3.13Å; E827-V830 PolarHBondContact O-N 3.3Å; E827-S831 WeakPolarHBondContact O-CB 3.47Å; E827-S831 PolarHBondContact O-N 2.94Å; E827-S831 PolarHBondContact O-OG 2.85Å
828	T	94.3	Very high	91.7	Very high	66 Å²	66	45.2 Å²	45.2	41%	0.405	28%	0.279	S	S	.	.	H	α-helix	trans	-63.4	-45.6	172.5	-56.8	0	0	0	0	110.7	A824 V826 V830 S831 T832	A824-T828 WeakPolarHBondContact O-CB 3.35Å; A824-T828 PolarHBondContact O-N 3.27Å; A824-T828 PolarHBondContact O-OG1 2.9Å; V826-T828 VanDerWaalsContact C-N 3.32Å; V826-T828 PolarHBondContact O-N 2.94Å; T828-V830 VanDerWaalsContact C-N 3.31Å; T828-V830 PolarHBondContact O-N 3.38Å; T828-S831 WeakPolarHBondContact CA-OG 3.48Å; T828-S831 PolarHBondContact O-N 3.22Å; T828-S831 PolarHBondContact O-OG 3.32Å; T828-T832 HydrophobicContact CG2-CG2 4.2Å; T828-T832 WeakPolarHBondContact O-CB 3.47Å; T828-T832 WeakPolarHBondContact O-CG2 3.42Å; T828-T832 PolarHBondContact O-N 2.77Å; T828-T832 PolarHBondContact O-OG1 3.15Å
829	M	94.4	Very high	91.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58.9	-43.4	177.8	-179	-170.3	67.4	0	0	111.6	A825 V826 G833 Q834 Q836 T837 N846 I870	A825-M829 WeakPolarHBondContact O-CB 3.42Å; A825-M829 PolarHBondContact O-N 3.44Å; V826-M829 HydrophobicContact CG1-CE 4.36Å; V826-M829 WeakPolarHBondContact O-CB 3.45Å; V826-M829 PolarHBondContact O-N 2.92Å; M829-G833 CarbonylContact O-C 3.55Å; M829-G833 WeakPolarHBondContact O-CA 3.49Å; M829-G833 PolarHBondContact O-N 3.44Å; M829-G833 VanDerWaalsContact O-N 3.09Å; M829-Q834 HydrophobicContact CB-CB 4.39Å; M829-Q834 HydrophobicContact CG-CB 3.9Å; M829-Q834 VanDerWaalsContact CG-O 3.23Å; M829-Q834 WeakPolarHBondContact CG-O 3.37Å; M829-Q834 PolarHBondContact O-N 3.11Å; M829-Q836 VanDerWaalsContact SD-C 3.58Å; M829-T837 HydrophobicContact CB-CG2 4.03Å; M829-T837 HydrophobicContact CE-CG2 4.2Å; M829-T837 HydrophobicContact CG-CG2 4.3Å; M829-T837 HydrophobicContact SD-CG2 3.53Å; M829-T837 VanDerWaalsContact SD-CG2 3.53Å; M829-N846 HydrophobicContact CE-CB 3.95Å; M829-N846 HydrophobicContact CG-CB 4.14Å; M829-N846 HydrophobicContact SD-CB 3.84Å; M829-I870 HydrophobicContact CE-CB 4.43Å
830	V	91	Very high	91.5	Very high	18 Å²	18	48.6 Å²	48.6	11%	0.109	30%	0.296	C	S	.	.	H	α-helix	trans	-68.9	-49.7	179.6	172.8	0	0	0	0	111.4	V826 E827 T828 T832 G833 H874 Q875	V826-V830 HydrophobicContact CG1-CG2 4.49Å; V826-V830 WeakPolarHBondContact O-CG2 3.31Å; V826-V830 PolarHBondContact O-N 2.91Å; E827-V830 PolarHBondContact O-N 3.3Å; T828-V830 VanDerWaalsContact C-N 3.31Å; T828-V830 PolarHBondContact O-N 3.38Å; V830-T832 VanDerWaalsContact C-N 3.35Å; V830-T832 PolarHBondContact O-N 3.31Å; V830-G833 PolarHBondContact O-N 2.96Å; V830-H874 HydrophobicContact CG1-CB 4.26Å; V830-H874 VanDerWaalsContact CG1-CD2 3.43Å; V830-H874 WeakPolarHBondContact CG1-CD2 3.09Å; V830-Q875 HydrophobicContact CB-CG 4.21Å; V830-Q875 HydrophobicContact CG1-CB 4.23Å; V830-Q875 HydrophobicContact CG1-CG 3.46Å; V830-Q875 VanDerWaalsContact CG1-CG 3.46Å; V830-Q875 HydrophobicContact CG2-CG 3.75Å
831	S	89.6	Confident	91.4	Very high	81 Å²	81	51.6 Å²	51.6	57%	0.566	33%	0.328	S	S	*	.	H	α-helix	trans	-67.2	-32.2	-176.5	55.9	0	0	0	0	113.7	E827 T828	E827-S831 WeakPolarHBondContact O-CB 3.47Å; E827-S831 PolarHBondContact O-N 2.94Å; E827-S831 PolarHBondContact O-OG 2.85Å; T828-S831 WeakPolarHBondContact CA-OG 3.48Å; T828-S831 PolarHBondContact O-N 3.22Å; T828-S831 PolarHBondContact O-OG 3.32Å
832	T	90.9	Very high	91.6	Very high	84 Å²	84	48.8 Å²	48.8	52%	0.515	31%	0.307	S	S	.	.	H	α-helix	trans	-91	-8	177.2	61.8	0	0	0	0	113.6	T828 V830 Q834	T828-T832 HydrophobicContact CG2-CG2 4.2Å; T828-T832 WeakPolarHBondContact O-CB 3.47Å; T828-T832 WeakPolarHBondContact O-CG2 3.42Å; T828-T832 PolarHBondContact O-N 2.77Å; T828-T832 PolarHBondContact O-OG1 3.15Å; V830-T832 VanDerWaalsContact C-N 3.35Å; V830-T832 PolarHBondContact O-N 3.31Å; T832-Q834 PolarHBondContact O-N 2.86Å; T832-Q834 VanDerWaalsContact OG1-CG 3.23Å; T832-Q834 WeakPolarHBondContact OG1-CG 3.44Å
833	G	86.3	Confident	91.8	Very high	30 Å²	30	49.9 Å²	49.9	31%	0.309	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	15.2	-176.3	0	0	0	0	0	114.3	M829 V830 T849	M829-G833 CarbonylContact O-C 3.55Å; M829-G833 WeakPolarHBondContact O-CA 3.49Å; M829-G833 PolarHBondContact O-N 3.44Å; M829-G833 VanDerWaalsContact O-N 3.09Å; V830-G833 PolarHBondContact O-N 2.96Å; G833-T849 PolarHBondContact O-OG1 3.1Å
834	Q	91.8	Very high	92	Very high	90 Å²	90	49.3 Å²	49.3	42%	0.421	31%	0.312	S	S	.	.			trans	-54.2	140.9	175.8	-77.5	168.8	-3.3	0	0	111.1	M829 T832 Q836 N846	M829-Q834 HydrophobicContact CB-CB 4.39Å; M829-Q834 HydrophobicContact CG-CB 3.9Å; M829-Q834 VanDerWaalsContact CG-O 3.23Å; M829-Q834 WeakPolarHBondContact CG-O 3.37Å; M829-Q834 PolarHBondContact O-N 3.11Å; T832-Q834 PolarHBondContact O-N 2.86Å; T832-Q834 VanDerWaalsContact OG1-CG 3.23Å; T832-Q834 WeakPolarHBondContact OG1-CG 3.44Å; Q834-Q836 VanDerWaalsContact C-N 3.35Å; Q834-Q836 PolarHBondContact O-N 2.92Å; Q834-N846 WeakPolarHBondContact O-CB 3.46Å; Q834-N846 PolarHBondContact O-ND2 3.43Å
835	V	90	Very high	92.2	Very high	36 Å²	36	48 Å²	48	22%	0.218	30%	0.299	C	S	.	.	S	Bend	trans	-66.3	-35.5	-177.7	167.6	0	0	0	0	112.3	N846 A850 T854	V835-N846 WeakPolarHBondContact O-CB 3.13Å; V835-N846 PolarHBondContact O-N 3.34Å; V835-A850 HydrophobicContact CG1-CB 3.94Å; V835-A850 WeakPolarHBondContact O-CB 3.48Å; V835-T854 HydrophobicContact CG1-CG2 3.96Å
836	Q	93.5	Very high	92.2	Very high	111 Å²	111	46.1 Å²	46.1	52%	0.519	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	161.1	-175.2	66.1	-178.3	9.6	0	0	111.6	M829 Q834 V844 Q845	M829-Q836 VanDerWaalsContact SD-C 3.58Å; Q834-Q836 VanDerWaalsContact C-N 3.35Å; Q834-Q836 PolarHBondContact O-N 2.92Å; Q836-V844 VanDerWaalsContact CA-O 3.3Å; Q836-V844 WeakPolarHBondContact CA-O 3.47Å; Q836-V844 WeakPolarHBondContact CB-O 3.31Å; Q836-Q845 HydrophobicContact CB-CG 4.1Å
837	T	94.6	Very high	92	Very high	33 Å²	33	45.9 Å²	45.9	20%	0.202	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	-172.5	171.5	-164.9	0	0	0	0	109.6	V826 M829 V844	V826-T837 HydrophobicContact CG2-CG2 4.25Å; M829-T837 HydrophobicContact CB-CG2 4.03Å; M829-T837 HydrophobicContact CE-CG2 4.2Å; M829-T837 HydrophobicContact CG-CG2 4.3Å; M829-T837 HydrophobicContact SD-CG2 3.53Å; M829-T837 VanDerWaalsContact SD-CG2 3.53Å; T837-V844 HydrophobicContact CG2-CG2 3.64Å; T837-V844 PolarHBondContact N-O 3.36Å; T837-V844 PolarHBondContact O-N 2.9Å; T837-V844 VanDerWaalsContact O-O 3.12Å
838	S	93.5	Very high	91.7	Very high	55 Å²	55	43.7 Å²	43.7	39%	0.385	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138	171.7	-173.2	0	0	0	0	110.8	G841 V842	S838-G841 WeakPolarHBondContact OG-CA 3.16Å; S838-G841 PolarHBondContact OG-N 3.34Å; S838-V842 CarbonylContact C-O 3.55Å; S838-V842 VanDerWaalsContact CA-O 3.29Å; S838-V842 WeakPolarHBondContact CA-O 3.33Å; S838-V842 PolarHBondContact OG-N 3.43Å; S838-V842 PolarHBondContact OG-O 3.32Å
839	V	92.5	Very high	90.8	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.03	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	112.2	172.7	173.5	0	0	0	0	107.7	L760 I785 I820 V826 G841 V842 V844 I870	L760-V839 HydrophobicContact CD1-CG1 4.3Å; I785-V839 HydrophobicContact CD1-CB 4.15Å; I785-V839 HydrophobicContact CD1-CG1 3.81Å; I785-V839 HydrophobicContact CG1-CG1 4.48Å; I820-V839 HydrophobicContact CB-CG1 4.38Å; I820-V839 HydrophobicContact CD1-CG1 3.97Å; I820-V839 HydrophobicContact CG2-CG1 3.58Å; V826-V839 HydrophobicContact CG2-CG2 3.53Å; V839-G841 PolarHBondContact O-N 3.16Å; V839-V842 PolarHBondContact N-O 2.96Å; V839-V842 WeakPolarHBondContact O-CB 3.4Å; V839-V842 PolarHBondContact O-N 3.09Å; V839-V844 HydrophobicContact CB-CG1 4.27Å; V839-V844 HydrophobicContact CB-CG2 4.38Å; V839-V844 HydrophobicContact CG2-CG1 4.28Å; V839-V844 HydrophobicContact CG2-CG2 3.65Å; V839-I870 HydrophobicContact CG2-CD1 4.12Å
840	E	90.9	Very high	90.1	Very high	79 Å²	79	41.9 Å²	41.9	37%	0.369	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	39.1	-175.9	-55.4	-61.9	167.9	0	0	113.2	K788 V789 I820 S821 V842	K788-E840 HydrophobicContact CB-CB 4.27Å; V789-E840 HydrophobicContact CG1-CB 4.24Å; V789-E840 HydrophobicContact CG1-CG 3.89Å; I820-E840 HydrophobicContact CB-CG 4.25Å; I820-E840 HydrophobicContact CG2-CG 4.05Å; S821-E840 VanDerWaalsContact CB-OE1 3.3Å; S821-E840 WeakPolarHBondContact CB-OE1 3.47Å; S821-E840 PolarHBondContact N-OE1 2.78Å; S821-E840 PolarHBondContact OG-OE1 3.48Å; E840-V842 VanDerWaalsContact C-N 3.31Å; E840-V842 PolarHBondContact O-N 3.4Å
841	G	91	Very high	89.5	Confident	67 Å²	67	41.2 Å²	41.2	69%	0.691	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	-5.9	-178.7	0	0	0	0	0	114.9	S838 V839	S838-G841 WeakPolarHBondContact OG-CA 3.16Å; S838-G841 PolarHBondContact OG-N 3.34Å; V839-G841 PolarHBondContact O-N 3.16Å
842	V	93.5	Very high	88.9	Confident	14 Å²	14	40.5 Å²	40.5	9%	0.085	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	126.5	178.6	-176.2	0	0	0	0	109.8	P784 I785 K788 S838 V839 E840 V844 I868	P784-V842 HydrophobicContact CB-CG1 4.23Å; P784-V842 WeakPolarHBondContact O-CG2 3.32Å; I785-V842 HydrophobicContact CB-CG1 4.25Å; K788-V842 HydrophobicContact CB-CG2 4.29Å; K788-V842 HydrophobicContact CG-CG2 3.82Å; S838-V842 CarbonylContact C-O 3.55Å; S838-V842 VanDerWaalsContact CA-O 3.29Å; S838-V842 WeakPolarHBondContact CA-O 3.33Å; S838-V842 PolarHBondContact OG-N 3.43Å; S838-V842 PolarHBondContact OG-O 3.32Å; V839-V842 PolarHBondContact N-O 2.96Å; V839-V842 WeakPolarHBondContact O-CB 3.4Å; V839-V842 PolarHBondContact O-N 3.09Å; E840-V842 VanDerWaalsContact C-N 3.31Å; E840-V842 PolarHBondContact O-N 3.4Å; V842-V844 PolarHBondContact O-N 3.4Å; V842-I868 HydrophobicContact CG1-CD1 4.12Å
843	P	93.2	Very high	88.3	Confident	92 Å²	92	42.5 Å²	42.5	60%	0.597	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	130.9	177	27.9	-33.6	0	0	0	110.4
844	V	94	Very high	87.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	146.1	177.6	-61.5	0	0	0	0	109.5	I785 Q836 T837 V839 V842 I868 I870	I785-V844 HydrophobicContact CD1-CG1 4.32Å; Q836-V844 VanDerWaalsContact CA-O 3.3Å; Q836-V844 WeakPolarHBondContact CA-O 3.47Å; Q836-V844 WeakPolarHBondContact CB-O 3.31Å; T837-V844 HydrophobicContact CG2-CG2 3.64Å; T837-V844 PolarHBondContact N-O 3.36Å; T837-V844 PolarHBondContact O-N 2.9Å; T837-V844 VanDerWaalsContact O-O 3.12Å; V839-V844 HydrophobicContact CB-CG1 4.27Å; V839-V844 HydrophobicContact CB-CG2 4.38Å; V839-V844 HydrophobicContact CG2-CG1 4.28Å; V839-V844 HydrophobicContact CG2-CG2 3.65Å; V842-V844 PolarHBondContact O-N 3.4Å; V844-I868 HydrophobicContact CG1-CB 4.25Å; V844-I868 HydrophobicContact CG1-CG2 3.96Å; V844-I870 HydrophobicContact CB-CD1 3.82Å; V844-I870 HydrophobicContact CB-CG1 4.17Å; V844-I870 HydrophobicContact CG1-CD1 4.24Å; V844-I870 HydrophobicContact CG2-CD1 3.5Å; V844-I870 VanDerWaalsContact CG2-CD1 3.5Å; V844-I870 HydrophobicContact CG2-CG1 4.33Å
845	Q	94.3	Very high	87.6	Confident	15 Å²	15	44.4 Å²	44.4	7%	0.07	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	148.4	-176.4	-73.2	-167.9	-5.2	0	0	112.2	Q836 G847 A850 T867 I868 L869 I870	Q836-Q845 HydrophobicContact CB-CG 4.1Å; Q845-G847 PolarHBondContact O-N 2.85Å; Q845-A850 HydrophobicContact CB-CB 3.78Å; Q845-A850 HydrophobicContact CG-CB 4.26Å; Q845-T867 PolarHBondContact OE1-OG1 3.37Å; Q845-I868 PolarHBondContact N-O 3.19Å; Q845-L869 HydrophobicContact CB-CD2 3.89Å; Q845-I870 PolarHBondContact O-N 3.01Å
846	N	92.8	Very high	87.4	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.016	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	112.6	173.1	-174.7	-27.7	0	0	0	109.4	M829 Q834 V835 V848 T849 A850 Q875	M829-N846 HydrophobicContact CE-CB 3.95Å; M829-N846 HydrophobicContact CG-CB 4.14Å; M829-N846 HydrophobicContact SD-CB 3.84Å; Q834-N846 WeakPolarHBondContact O-CB 3.46Å; Q834-N846 PolarHBondContact O-ND2 3.43Å; V835-N846 WeakPolarHBondContact O-CB 3.13Å; V835-N846 PolarHBondContact O-N 3.34Å; N846-V848 PolarHBondContact O-N 2.95Å; N846-V848 PolarHBondContact OD1-N 3.28Å; N846-T849 WeakPolarHBondContact CB-OG1 3.39Å; N846-T849 VanDerWaalsContact CG-OG1 3.27Å; N846-T849 PolarHBondContact ND2-OG1 3.18Å; N846-T849 PolarHBondContact O-N 3.07Å; N846-A850 WeakPolarHBondContact O-CB 3.46Å; N846-A850 PolarHBondContact O-N 2.9Å; N846-Q875 PolarHBondContact OD1-NE2 3.22Å
847	G	87.6	Confident	87.4	Confident	2 Å²	2	46.6 Å²	46.6	2%	0.021	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-21.3	-177.6	0	0	0	0	0	114.7	Q845 I870 R954	Q845-G847 PolarHBondContact O-N 2.85Å; G847-I870 WeakPolarHBondContact CA-O 3.29Å; G847-I870 PolarHBondContact N-O 3.3Å; G847-R954 VanDerWaalsContact O-CZ 3.23Å; G847-R954 PolarHBondContact O-NH1 3.16Å; G847-R954 PolarHBondContact O-NH2 3.25Å
848	V	85.7	Confident	87.3	Confident	36 Å²	36	45.2 Å²	45.2	22%	0.218	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-46.5	179.8	179	0	0	0	0	112.1	N846 Q875 Y876	N846-V848 PolarHBondContact O-N 2.95Å; N846-V848 PolarHBondContact OD1-N 3.28Å; V848-Q875 HydrophobicContact CG2-CB 3.74Å; V848-Q875 HydrophobicContact CG2-CG 4.07Å; V848-Y876 HydrophobicContact CG2-CE1 4.25Å; V848-Y876 HydrophobicContact CG2-CE2 3.87Å; V848-Y876 WeakPolarHBondContact CG2-OH 3.32Å
849	T	76.4	Confident	87.2	Confident	28 Å²	28	42.8 Å²	42.8	17%	0.172	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-27.1	-171.2	54.6	0	0	0	0	113.9	G833 N846 T852 Q853	G833-T849 PolarHBondContact O-OG1 3.1Å; N846-T849 WeakPolarHBondContact CB-OG1 3.39Å; N846-T849 VanDerWaalsContact CG-OG1 3.27Å; N846-T849 PolarHBondContact ND2-OG1 3.18Å; N846-T849 PolarHBondContact O-N 3.07Å; T849-T852 PolarHBondContact O-OG1 3.45Å; T849-T852 VanDerWaalsContact O-OG1 3.1Å; T849-Q853 WeakPolarHBondContact O-CB 3.48Å; T849-Q853 VanDerWaalsContact O-CG 3.24Å; T849-Q853 WeakPolarHBondContact O-CG 3.46Å; T849-Q853 PolarHBondContact O-N 3.32Å
850	A	78.8	Confident	87.2	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.6	-60.8	-168.8	0	0	0	0	0	112.8	V835 Q845 N846 T852 Q853 T854	V835-A850 HydrophobicContact CG1-CB 3.94Å; V835-A850 WeakPolarHBondContact O-CB 3.48Å; Q845-A850 HydrophobicContact CB-CB 3.78Å; Q845-A850 HydrophobicContact CG-CB 4.26Å; N846-A850 WeakPolarHBondContact O-CB 3.46Å; N846-A850 PolarHBondContact O-N 2.9Å; A850-T852 VanDerWaalsContact C-N 3.28Å; A850-T852 PolarHBondContact O-N 3.1Å; A850-Q853 PolarHBondContact O-N 3.48Å; A850-T854 PolarHBondContact O-N 3.15Å; A850-T854 PolarHBondContact O-OG1 2.98Å
851	L	78.1	Confident	87.4	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-61.3	-39.2	-171.8	-59.7	-178.1	0	0	0	111.9	Q853 H855 I856 A858 A859 P865 L869 E950	L851-Q853 PolarHBondContact O-N 3.24Å; L851-H855 HydrophobicContact CD2-CB 4.26Å; L851-H855 CarbonylContact O-C 3.34Å; L851-H855 WeakPolarHBondContact O-CA 3.32Å; L851-H855 PolarHBondContact O-N 2.99Å; L851-H855 VanDerWaalsContact O-O 3.05Å; L851-I856 PolarHBondContact O-N 3.05Å; L851-A858 HydrophobicContact CD2-CB 4.18Å; L851-A859 HydrophobicContact CB-CB 3.77Å; L851-P865 HydrophobicContact CD1-CB 4.46Å; L851-P865 HydrophobicContact CD1-CG 3.81Å; L851-P865 HydrophobicContact CD2-CB 4.17Å; L851-P865 HydrophobicContact CD2-CG 4.3Å; L851-L869 HydrophobicContact CD1-CD1 3.95Å; L851-L869 HydrophobicContact CD1-CD2 4.48Å; L851-L869 HydrophobicContact CD2-CD2 4.17Å; L851-L869 HydrophobicContact CG-CD2 4.18Å; L851-E950 HydrophobicContact CD1-CG 4.06Å; L851-E950 VanDerWaalsContact CD1-OE2 3.31Å; L851-E950 WeakPolarHBondContact CD1-OE2 3.42Å
852	T	77.9	Confident	87.5	Confident	66 Å²	66	38.7 Å²	38.7	41%	0.405	21%	0.21	S	C	.	.	H	α-helix	trans	-65.9	-23.2	178.2	52.1	0	0	0	0	113.8	T849 A850 A859	T849-T852 PolarHBondContact O-OG1 3.45Å; T849-T852 VanDerWaalsContact O-OG1 3.1Å; A850-T852 VanDerWaalsContact C-N 3.28Å; A850-T852 PolarHBondContact O-N 3.1Å; T852-A859 HydrophobicContact CG2-CB 4.17Å
853	Q	78	Confident	87.6	Confident	127 Å²	127	42.2 Å²	42.2	59%	0.593	23%	0.226	S	C	*	.	H	α-helix	trans	-100.6	-31	-178.4	-67.3	178.7	19.4	0	0	113	T849 A850 L851	T849-Q853 WeakPolarHBondContact O-CB 3.48Å; T849-Q853 VanDerWaalsContact O-CG 3.24Å; T849-Q853 WeakPolarHBondContact O-CG 3.46Å; T849-Q853 PolarHBondContact O-N 3.32Å; A850-Q853 PolarHBondContact O-N 3.48Å; L851-Q853 PolarHBondContact O-N 3.24Å
854	T	77.4	Confident	87.6	Confident	68 Å²	68	39.7 Å²	39.7	42%	0.417	21%	0.208	S	C	.	.	H	α-helix	trans	-115	-28.7	-171.6	61.5	0	0	0	0	114	V835 A850	V835-T854 HydrophobicContact CG1-CG2 3.96Å; A850-T854 PolarHBondContact O-N 3.15Å; A850-T854 PolarHBondContact O-OG1 2.98Å
855	H	85.4	Confident	87.5	Confident	92 Å²	92	39.8 Å²	39.8	43%	0.426	21%	0.209	S	C	.	.			trans	-142.8	69.3	-172.2	-65.2	-67.5	0	0	0	111.9	L851 K857 A858 A859	L851-H855 HydrophobicContact CD2-CB 4.26Å; L851-H855 CarbonylContact O-C 3.34Å; L851-H855 WeakPolarHBondContact O-CA 3.32Å; L851-H855 PolarHBondContact O-N 2.99Å; L851-H855 VanDerWaalsContact O-O 3.05Å; H855-K857 VanDerWaalsContact C-N 3.31Å; H855-K857 PolarHBondContact O-N 3.34Å; H855-A858 HydrophobicContact CB-CB 3.92Å; H855-A858 WeakPolarHBondContact O-CA 3.39Å; H855-A858 WeakPolarHBondContact O-CB 3.35Å; H855-A858 PolarHBondContact O-N 3Å; H855-A859 PolarHBondContact O-N 3.37Å
856	I	87.6	Confident	87.2	Confident	117 Å²	117	46.3 Å²	46.3	60%	0.6	24%	0.239	S	C	*	.	H	α-helix	trans	-55.2	-42.9	-172.8	-62.8	171.2	0	0	0	112.4	L851 A858 A859 T860	L851-I856 PolarHBondContact O-N 3.05Å; I856-A858 VanDerWaalsContact C-N 3.31Å; I856-A858 PolarHBondContact O-N 2.67Å; I856-A859 WeakPolarHBondContact O-CB 3.39Å; I856-A859 PolarHBondContact O-N 2.72Å; I856-A859 VanDerWaalsContact O-N 3.09Å; I856-T860 HydrophobicContact CG2-CG2 4.47Å; I856-T860 PolarHBondContact O-N 3.4Å; I856-T860 PolarHBondContact O-OG1 3.38Å
857	K	91.7	Very high	86.9	Confident	76 Å²	76	48.3 Å²	48.3	33%	0.33	25%	0.252	S	S	.	.	H	α-helix	trans	-63.2	-35.6	177.4	-72.9	-168.5	169	-164.1	0	113	N639 H855 T860 G861 E862 E863	N639-K857 PolarHBondContact OD1-NZ 3.22Å; H855-K857 VanDerWaalsContact C-N 3.31Å; H855-K857 PolarHBondContact O-N 3.34Å; K857-T860 WeakPolarHBondContact CA-OG1 3.26Å; K857-T860 PolarHBondContact O-OG1 2.91Å; K857-T860 VanDerWaalsContact O-OG1 3.08Å; K857-G861 PolarHBondContact O-N 2.92Å; K857-E862 HydrophobicContact CB-CB 4.09Å; K857-E862 WeakPolarHBondContact O-CA 3.05Å; K857-E862 WeakPolarHBondContact O-CB 3.44Å; K857-E862 PolarHBondContact O-N 3.23Å; K857-E863 HydrophobicContact CB-CB 4.32Å; K857-E863 HydrophobicContact CB-CG 3.9Å; K857-E863 HydrophobicContact CD-CG 4.45Å; K857-E863 WeakPolarHBondContact CD-OE1 3.4Å; K857-E863 PolarHBondContact O-N 2.89Å
858	A	92.3	Very high	87.2	Confident	3 Å²	3	48.9 Å²	48.9	3%	0.025	25%	0.254	C	S	.	.	H	α-helix	trans	-68.5	-38.3	173.2	0	0	0	0	0	111.2	L851 H855 I856 G861 E863 P865 E950	L851-A858 HydrophobicContact CD2-CB 4.18Å; H855-A858 HydrophobicContact CB-CB 3.92Å; H855-A858 WeakPolarHBondContact O-CA 3.39Å; H855-A858 WeakPolarHBondContact O-CB 3.35Å; H855-A858 PolarHBondContact O-N 3Å; I856-A858 VanDerWaalsContact C-N 3.31Å; I856-A858 PolarHBondContact O-N 2.67Å; A858-G861 PolarHBondContact O-N 2.97Å; A858-E863 WeakPolarHBondContact CA-O 3.33Å; A858-E863 HydrophobicContact CB-CB 4.42Å; A858-P865 HydrophobicContact CB-CG 4.18Å; A858-E950 VanDerWaalsContact O-CB 3.24Å; A858-E950 WeakPolarHBondContact O-CB 3.38Å
859	A	92.5	Very high	87.7	Confident	5 Å²	5	47.2 Å²	47.2	4%	0.041	24%	0.244	C	C	.	.	H	α-helix	trans	-62.7	-42.7	175.2	0	0	0	0	0	112.5	L851 T852 H855 I856 G861 A948 K949 E950	L851-A859 HydrophobicContact CB-CB 3.77Å; T852-A859 HydrophobicContact CG2-CB 4.17Å; H855-A859 PolarHBondContact O-N 3.37Å; I856-A859 WeakPolarHBondContact O-CB 3.39Å; I856-A859 PolarHBondContact O-N 2.72Å; I856-A859 VanDerWaalsContact O-N 3.09Å; A859-G861 PolarHBondContact O-N 2.91Å; A859-A948 HydrophobicContact CB-CB 3.91Å; A859-A948 CarbonylContact O-C 3.55Å; A859-A948 WeakPolarHBondContact O-CB 3.3Å; A859-K949 PolarHBondContact O-N 3.32Å; A859-E950 WeakPolarHBondContact O-CB 3.33Å; A859-E950 PolarHBondContact O-N 3.35Å
860	T	92.9	Very high	88.6	Confident	27 Å²	27	45.9 Å²	45.9	17%	0.166	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-3.4	178.1	56	0	0	0	0	113.6	I856 K857 E862 K949	I856-T860 HydrophobicContact CG2-CG2 4.47Å; I856-T860 PolarHBondContact O-N 3.4Å; I856-T860 PolarHBondContact O-OG1 3.38Å; K857-T860 WeakPolarHBondContact CA-OG1 3.26Å; K857-T860 PolarHBondContact O-OG1 2.91Å; K857-T860 VanDerWaalsContact O-OG1 3.08Å; T860-E862 VanDerWaalsContact C-N 3.31Å; T860-E862 WeakPolarHBondContact OG1-CG 3.38Å; T860-E862 PolarHBondContact OG1-OE1 3.12Å; T860-K949 WeakPolarHBondContact O-CB 3.3Å
861	G	93.7	Very high	89.4	Confident	5 Å²	5	45.9 Å²	45.9	5%	0.052	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	13.5	-179.2	0	0	0	0	0	114.2	F640 K857 A858 A859	F640-G861 WeakPolarHBondContact CE1-O 3.31Å; F640-G861 VanDerWaalsContact CZ-O 3.32Å; F640-G861 WeakPolarHBondContact CZ-O 3.14Å; K857-G861 PolarHBondContact O-N 2.92Å; A858-G861 PolarHBondContact O-N 2.97Å; A859-G861 PolarHBondContact O-N 2.91Å
862	E	94.9	Very high	90.2	Very high	32 Å²	32	45.9 Å²	45.9	15%	0.15	24%	0.236	C	C	.	.	S	Bend	trans	-80.3	-22.7	176.6	-73.5	176.5	-109.8	0	0	112.8	T638 N639 F640 K857 T860	T638-E862 WeakPolarHBondContact CA-OE2 3.48Å; T638-E862 WeakPolarHBondContact CB-OE2 3.15Å; N639-E862 HydrophobicContact CB-CB 3.83Å; N639-E862 HydrophobicContact CB-CG 4.21Å; N639-E862 PolarHBondContact N-OE2 3.2Å; N639-E862 PolarHBondContact ND2-O 3.11Å; F640-E862 HydrophobicContact CD2-CG 3.77Å; F640-E862 HydrophobicContact CE2-CG 3.45Å; F640-E862 VanDerWaalsContact CE2-CG 3.45Å; F640-E862 HydrophobicContact CZ-CG 3.93Å; K857-E862 HydrophobicContact CB-CB 4.09Å; K857-E862 WeakPolarHBondContact O-CA 3.05Å; K857-E862 WeakPolarHBondContact O-CB 3.44Å; K857-E862 PolarHBondContact O-N 3.23Å; T860-E862 VanDerWaalsContact C-N 3.31Å; T860-E862 WeakPolarHBondContact OG1-CG 3.38Å; T860-E862 PolarHBondContact OG1-OE1 3.12Å
863	E	94.3	Very high	91	Very high	89 Å²	89	43 Å²	43	42%	0.416	22%	0.218	S	C	.	.	S	Bend	trans	-135.6	157.4	178	-68.1	177.2	-175.2	0	0	110.6	N639 K857 A858	N639-E863 VanDerWaalsContact ND2-CG 3.28Å; N639-E863 WeakPolarHBondContact ND2-CG 3.21Å; N639-E863 PolarHBondContact ND2-OE1 3.25Å; K857-E863 HydrophobicContact CB-CB 4.32Å; K857-E863 HydrophobicContact CB-CG 3.9Å; K857-E863 HydrophobicContact CD-CG 4.45Å; K857-E863 WeakPolarHBondContact CD-OE1 3.4Å; K857-E863 PolarHBondContact O-N 2.89Å; A858-E863 WeakPolarHBondContact CA-O 3.33Å; A858-E863 HydrophobicContact CB-CB 4.42Å
864	V	92.9	Very high	91.8	Very high	38 Å²	38	41.8 Å²	41.8	23%	0.23	21%	0.212	C	C	.	.			trans	-85.7	126.7	176.2	-176	0	0	0	0	109.2	P752 H753 T780 Q866	P752-V864 HydrophobicContact CG-CB 4.44Å; P752-V864 HydrophobicContact CG-CG1 3.82Å; P752-V864 HydrophobicContact CG-CG2 3.71Å; H753-V864 HydrophobicContact CB-CG1 4.22Å; T780-V864 HydrophobicContact CG2-CG1 3.49Å; T780-V864 VanDerWaalsContact CG2-CG1 3.49Å; V864-Q866 PolarHBondContact O-N 3.49Å; V864-Q866 PolarHBondContact O-NE2 3.25Å
865	P	91.9	Very high	92.5	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.019	20%	0.199	C	C	.	.			trans	-53.6	126.5	170	-25.4	34.1	0	0	0	111.9	H753 L851 A858 L869 E950	H753-P865 VanDerWaalsContact CE1-CD 3.5Å; H753-P865 WeakPolarHBondContact CE1-CD 3.38Å; L851-P865 HydrophobicContact CD1-CB 4.46Å; L851-P865 HydrophobicContact CD1-CG 3.81Å; L851-P865 HydrophobicContact CD2-CB 4.17Å; L851-P865 HydrophobicContact CD2-CG 4.3Å; A858-P865 HydrophobicContact CB-CG 4.18Å; P865-L869 HydrophobicContact CB-CD1 3.77Å; P865-L869 HydrophobicContact CG-CD1 3.92Å; P865-E950 HydrophobicContact CG-CG 4.1Å
866	Q	88.1	Confident	93	Very high	152 Å²	152	37.4 Å²	37.4	71%	0.71	19%	0.186	S	C	*	.			trans	-90.3	-7.9	-178.8	-61.3	-58	-54.4	0	0	113.4	V864	V864-Q866 PolarHBondContact O-N 3.49Å; V864-Q866 PolarHBondContact O-NE2 3.25Å
867	T	87.6	Confident	93.3	Very high	45 Å²	45	34.2 Å²	34.2	28%	0.276	18%	0.181	S	C	.	.	S	Bend	trans	-108.6	158.1	-178.1	52.5	0	0	0	0	111.7	Q845 L869	Q845-T867 PolarHBondContact OE1-OG1 3.37Å; T867-L869 PolarHBondContact O-N 3.4Å
868	I	94.2	Very high	93.6	Very high	14 Å²	14	31 Å²	31	7%	0.072	17%	0.168	C	C	.	.			trans	-70.2	125.7	172.4	-63.7	172.6	0	0	0	109.1	V777 N778 L782 P784 I785 V842 V844 Q845	V777-I868 HydrophobicContact CG1-CG2 3.3Å; N778-I868 WeakPolarHBondContact O-CA 3.36Å; L782-I868 HydrophobicContact CD2-CG1 4.43Å; L782-I868 HydrophobicContact CD2-CG2 4.48Å; P784-I868 HydrophobicContact CB-CD1 4.48Å; I785-I868 HydrophobicContact CB-CD1 4.06Å; I785-I868 HydrophobicContact CG2-CD1 3.89Å; V842-I868 HydrophobicContact CG1-CD1 4.12Å; V844-I868 HydrophobicContact CG1-CB 4.25Å; V844-I868 HydrophobicContact CG1-CG2 3.96Å; Q845-I868 PolarHBondContact N-O 3.19Å
869	L	95.2	Very high	93.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	132.2	-179.8	-64.3	168.8	0	0	0	110.3	V777 N778 Q845 L851 P865 T867	V777-L869 WeakPolarHBondContact CA-O 3.3Å; N778-L869 PolarHBondContact N-O 2.89Å; N778-L869 PolarHBondContact O-N 2.83Å; Q845-L869 HydrophobicContact CB-CD2 3.89Å; L851-L869 HydrophobicContact CD1-CD1 3.95Å; L851-L869 HydrophobicContact CD1-CD2 4.48Å; L851-L869 HydrophobicContact CD2-CD2 4.17Å; L851-L869 HydrophobicContact CG-CD2 4.18Å; P865-L869 HydrophobicContact CB-CD1 3.77Å; P865-L869 HydrophobicContact CG-CD1 3.92Å; T867-L869 PolarHBondContact O-N 3.4Å
870	I	95.7	Very high	93.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126	170.6	-62.4	177.8	0	0	0	109.4	L760 T775 V777 V826 M829 V839 V844 Q845 G847 Q875	L760-I870 HydrophobicContact CD2-CD1 3.73Å; T775-I870 HydrophobicContact CG2-CG2 3.72Å; V777-I870 HydrophobicContact CG2-CG1 4.43Å; V826-I870 HydrophobicContact CG1-CD1 4.15Å; V826-I870 HydrophobicContact CG1-CG2 3.9Å; V826-I870 HydrophobicContact CG2-CD1 3.79Å; M829-I870 HydrophobicContact CE-CB 4.43Å; V839-I870 HydrophobicContact CG2-CD1 4.12Å; V844-I870 HydrophobicContact CB-CD1 3.82Å; V844-I870 HydrophobicContact CB-CG1 4.17Å; V844-I870 HydrophobicContact CG1-CD1 4.24Å; V844-I870 HydrophobicContact CG2-CD1 3.5Å; V844-I870 VanDerWaalsContact CG2-CD1 3.5Å; V844-I870 HydrophobicContact CG2-CG1 4.33Å; Q845-I870 PolarHBondContact O-N 3.01Å; G847-I870 WeakPolarHBondContact CA-O 3.29Å; G847-I870 PolarHBondContact N-O 3.3Å; I870-Q875 PolarHBondContact O-NE2 3.02Å; I870-Q875 VanDerWaalsContact O-NE2 3.16Å
871	T	95.2	Very high	93.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	129.8	176.8	-44	0	0	0	0	109.7	T775 V776 Y876 R954 L958	T775-T871 CarbonylContact C-O 3.51Å; T775-T871 WeakPolarHBondContact CA-O 3.45Å; V776-T871 PolarHBondContact N-O 3.46Å; V776-T871 PolarHBondContact O-N 3.35Å; T871-Y876 HydrophobicContact CG2-CE2 4.27Å; T871-R954 VanDerWaalsContact OG1-CD 3.29Å; T871-R954 WeakPolarHBondContact OG1-CD 3.23Å; T871-R954 PolarHBondContact OG1-NH1 2.89Å; T871-L958 HydrophobicContact CG2-CD1 3.94Å; T871-L958 HydrophobicContact CG2-CD2 4.21Å; T871-L958 HydrophobicContact CG2-CG 4.15Å
872	S	95.1	Very high	93.7	Very high	5 Å²	5	40.6 Å²	40.6	4%	0.035	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	155.4	-177.3	68.9	0	0	0	0	112.7	V774 T775 H874 Q875 L958	V774-S872 CarbonylContact O-C 3.56Å; V774-S872 WeakPolarHBondContact O-CA 3.36Å; T775-S872 WeakPolarHBondContact OG1-CB 3.45Å; S872-H874 PolarHBondContact O-N 3.09Å; S872-Q875 WeakPolarHBondContact O-CB 3.33Å; S872-Q875 PolarHBondContact O-N 3.35Å; S872-Q875 PolarHBondContact O-OE1 3.09Å; S872-Q875 PolarHBondContact OG-N 2.93Å; S872-L958 VanDerWaalsContact O-CD1 3.31Å; S872-L958 WeakPolarHBondContact O-CD1 3.4Å
873	R	95.3	Very high	93.8	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.015	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-56	-36.4	171.5	-75.9	-174.3	178.8	-163.4	1.4	112.6	N773 V774 Q875 Y876 G877 L878 P879 A882 L958 D960	N773-R873 PolarHBondContact ND2-NH2 3.29Å; N773-R873 PolarHBondContact OD1-NH2 3.08Å; V774-R873 PolarHBondContact O-N 3.27Å; R873-Q875 VanDerWaalsContact C-N 3.3Å; R873-Q875 PolarHBondContact O-N 3.29Å; R873-Y876 PolarHBondContact O-N 3.42Å; R873-Y876 VanDerWaalsContact O-N 3.09Å; R873-G877 PolarHBondContact O-N 3.17Å; R873-L878 HydrophobicContact CB-CB 3.88Å; R873-L878 HydrophobicContact CG-CB 4.19Å; R873-L878 PolarHBondContact O-N 3.46Å; R873-P879 WeakPolarHBondContact CD-O 3.38Å; R873-P879 PolarHBondContact NH1-O 2.93Å; R873-A882 PolarHBondContact NH1-O 2.97Å; R873-L958 HydrophobicContact CG-CB 4.26Å; R873-L958 HydrophobicContact CG-CD2 4.47Å; R873-L958 PolarHBondContact NE-O 3.03Å; R873-L958 PolarHBondContact NH2-O 3.34Å; R873-D960 IonicContact CZ-OD2 2.8Å; R873-D960 IonicContact NH1-OD2 4Å; R873-D960 IonicContact NH2-OD1 3.74Å; R873-D960 PolarHBondContact NH2-OD1 3.13Å; R873-D960 IonicContact NH2-OD2 2.98Å; R873-D960 PolarHBondContact NH2-OD2 3.39Å
874	H	93.3	Very high	94	Very high	103 Å²	103	36 Å²	36	48%	0.477	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-61.3	-36.2	-179.6	-169.6	60.5	0	0	0	112.8	V830 S872 Y876 G877	V830-H874 HydrophobicContact CG1-CB 4.26Å; V830-H874 VanDerWaalsContact CG1-CD2 3.43Å; V830-H874 WeakPolarHBondContact CG1-CD2 3.09Å; S872-H874 PolarHBondContact O-N 3.09Å; H874-Y876 PolarHBondContact O-N 3.28Å; H874-Y876 VanDerWaalsContact O-N 3.11Å; H874-G877 PolarHBondContact O-N 3.32Å
875	Q	93.8	Very high	94.3	Very high	32 Å²	32	34.1 Å²	34.1	15%	0.15	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-58.6	-25.4	176.3	-74.1	164.4	-39	0	0	113.5	V830 N846 V848 I870 S872 R873	V830-Q875 HydrophobicContact CB-CG 4.21Å; V830-Q875 HydrophobicContact CG1-CB 4.23Å; V830-Q875 HydrophobicContact CG1-CG 3.46Å; V830-Q875 VanDerWaalsContact CG1-CG 3.46Å; V830-Q875 HydrophobicContact CG2-CG 3.75Å; N846-Q875 PolarHBondContact OD1-NE2 3.22Å; V848-Q875 HydrophobicContact CG2-CB 3.74Å; V848-Q875 HydrophobicContact CG2-CG 4.07Å; I870-Q875 PolarHBondContact O-NE2 3.02Å; I870-Q875 VanDerWaalsContact O-NE2 3.16Å; S872-Q875 WeakPolarHBondContact O-CB 3.33Å; S872-Q875 PolarHBondContact O-N 3.35Å; S872-Q875 PolarHBondContact O-OE1 3.09Å; S872-Q875 PolarHBondContact OG-N 2.93Å; R873-Q875 VanDerWaalsContact C-N 3.3Å; R873-Q875 PolarHBondContact O-N 3.29Å
876	Y	95	Very high	94.6	Very high	36 Å²	36	34 Å²	34	14%	0.141	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-109.3	9.1	-179.4	-63.7	-80.3	0	0	0	113	V848 T871 R873 H874 L878 W915 E951 R955 L958	V848-Y876 HydrophobicContact CG2-CE1 4.25Å; V848-Y876 HydrophobicContact CG2-CE2 3.87Å; V848-Y876 WeakPolarHBondContact CG2-OH 3.32Å; T871-Y876 HydrophobicContact CG2-CE2 4.27Å; R873-Y876 PolarHBondContact O-N 3.42Å; R873-Y876 VanDerWaalsContact O-N 3.09Å; H874-Y876 PolarHBondContact O-N 3.28Å; H874-Y876 VanDerWaalsContact O-N 3.11Å; Y876-L878 PolarHBondContact O-N 3.1Å; Y876-W915 HydrophobicContact CD1-CH2 4.11Å; Y876-W915 AromaticContact CD1-CZ2 3.61Å; Y876-W915 HydrophobicContact CD1-CZ2 3.61Å; Y876-W915 HydrophobicContact CD2-CH2 4.03Å; Y876-W915 HydrophobicContact CD2-CZ2 4.28Å; Y876-W915 HydrophobicContact CE1-CZ2 4.24Å; Y876-W915 HydrophobicContact CE2-CH2 4.42Å; Y876-W915 AromaticContact CG-CH2 3.84Å; Y876-W915 HydrophobicContact CG-CH2 3.84Å; Y876-W915 AromaticContact CG-CZ2 3.62Å; Y876-W915 HydrophobicContact CG-CZ2 3.62Å; Y876-E951 WeakPolarHBondContact CE1-OE1 3.48Å; Y876-E951 WeakPolarHBondContact OH-CG 3.09Å; Y876-E951 PolarHBondContact OH-OE1 3.17Å; Y876-R955 HydrophobicContact CE2-CB 3.9Å; Y876-R955 WeakPolarHBondContact OH-CB 3.34Å; Y876-L958 HydrophobicContact CD2-CD1 3.46Å; Y876-L958 VanDerWaalsContact CD2-CD1 3.46Å; Y876-L958 HydrophobicContact CE2-CD1 3.69Å
877	G	94.1	Very high	95.1	Very high	49 Å²	49	27 Å²	27	51%	0.505	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	27	-177.1	0	0	0	0	0	113.5	R873 H874	R873-G877 PolarHBondContact O-N 3.17Å; H874-G877 PolarHBondContact O-N 3.32Å
878	L	97.1	Very high	95.5	Very high	8 Å²	8	25 Å²	25	4%	0.042	14%	0.136	C	C	.	.			trans	-88.4	139.8	178.8	-62.1	171.1	0	0	0	110.4	R873 Y876 V884 W915 K942	R873-L878 HydrophobicContact CB-CB 3.88Å; R873-L878 HydrophobicContact CG-CB 4.19Å; R873-L878 PolarHBondContact O-N 3.46Å; Y876-L878 PolarHBondContact O-N 3.1Å; L878-V884 HydrophobicContact CD1-CG1 4.36Å; L878-V884 HydrophobicContact CD2-CG1 4.44Å; L878-W915 HydrophobicContact CD1-CD2 3.83Å; L878-W915 HydrophobicContact CD1-CE3 3.55Å; L878-W915 HydrophobicContact CD1-CH2 3.83Å; L878-W915 HydrophobicContact CD1-CZ2 4.09Å; L878-W915 HydrophobicContact CD1-CZ3 3.53Å; L878-W915 HydrophobicContact CD2-CB 4.34Å; L878-W915 HydrophobicContact CD2-CD2 3.97Å; L878-W915 HydrophobicContact CD2-CE3 4.41Å; L878-W915 HydrophobicContact CD2-CG 3.94Å; L878-W915 HydrophobicContact CG-CD2 4.44Å; L878-K942 HydrophobicContact CD2-CB 4.26Å; L878-K942 HydrophobicContact CD2-CG 4.22Å
879	P	95.3	Very high	95.6	Very high	45 Å²	45	24.7 Å²	24.7	29%	0.292	14%	0.135	S	C	.	.			trans	-68	134.6	175.5	28.5	-35.7	0	0	0	112	R873 E881 A882 V913	R873-P879 WeakPolarHBondContact CD-O 3.38Å; R873-P879 PolarHBondContact NH1-O 2.93Å; P879-E881 VanDerWaalsContact C-N 3.33Å; P879-A882 HydrophobicContact CB-CB 3.97Å; P879-A882 HydrophobicContact CG-CB 3.5Å; P879-V913 HydrophobicContact CG-CG1 3.73Å; P879-V913 HydrophobicContact CG-CG2 4.05Å
880	E	92.1	Very high	95.4	Very high	73 Å²	73	28.6 Å²	28.6	34%	0.341	15%	0.153	S	C	.	.	S	Bend	trans	-73.7	-24.1	178.7	-57.3	-169.2	170	0	0	113.1	K771 V774	K771-E880 WeakPolarHBondContact CE-O 3.41Å; K771-E880 PolarHBondContact NZ-O 3.3Å; V774-E880 HydrophobicContact CG1-CB 3.95Å; V774-E880 HydrophobicContact CG1-CG 3.7Å
881	E	91.5	Very high	95.3	Very high	118 Å²	118	28.7 Å²	28.7	55%	0.551	15%	0.153	S	C	*	.	S	Bend	trans	-95.6	-12.4	-175.8	-58	-55.8	125.1	0	0	114.4	K771 P879 N911	K771-E881 IonicContact NZ-OE1 3.68Å; K771-E881 PolarHBondContact NZ-OE1 3.24Å; K771-E881 IonicContact NZ-OE2 3.3Å; K771-E881 PolarHBondContact NZ-OE2 3.2Å; P879-E881 VanDerWaalsContact C-N 3.33Å; E881-N911 PolarHBondContact O-ND2 3.44Å
882	A	95.1	Very high	95.2	Very high	7 Å²	7	30.6 Å²	30.6	6%	0.058	16%	0.161	C	C	.	.	S	Bend	trans	-96.2	156.7	-175	0	0	0	0	0	112.2	R873 P879 N911	R873-A882 PolarHBondContact NH1-O 2.97Å; P879-A882 HydrophobicContact CB-CB 3.97Å; P879-A882 HydrophobicContact CG-CB 3.5Å; A882-N911 WeakPolarHBondContact CA-O 3.5Å; A882-N911 WeakPolarHBondContact CB-O 3.44Å; A882-N911 WeakPolarHBondContact CB-OD1 3.18Å
883	V	97.7	Very high	95.2	Very high	23 Å²	23	31.3 Å²	31.3	14%	0.139	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	127.4	165	178.4	0	0	0	0	109.1	Y885 V909 N911 S912 V913 D960 I961	V883-Y885 HydrophobicContact CB-CE2 4.47Å; V883-Y885 HydrophobicContact CG1-CD2 4.21Å; V883-Y885 HydrophobicContact CG1-CE1 4.47Å; V883-Y885 HydrophobicContact CG1-CE2 3.77Å; V883-V909 HydrophobicContact CG2-CG1 4.46Å; V883-N911 PolarHBondContact N-O 3.21Å; V883-S912 CarbonylContact O-C 3.58Å; V883-S912 WeakPolarHBondContact O-CA 3.43Å; V883-S912 VanDerWaalsContact O-CB 3.27Å; V883-S912 WeakPolarHBondContact O-CB 3.46Å; V883-V913 PolarHBondContact O-N 3.49Å; V883-D960 WeakPolarHBondContact CA-OD2 3.48Å; V883-D960 HydrophobicContact CG1-CB 4.08Å; V883-I961 HydrophobicContact CG1-CD1 3.69Å
884	V	98.6	Very high	95.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	102.9	179.3	-179	0	0	0	0	109.2	L878 V913 W915 A959 D960 I961	L878-V884 HydrophobicContact CD1-CG1 4.36Å; L878-V884 HydrophobicContact CD2-CG1 4.44Å; V884-V913 HydrophobicContact CB-CG2 4.28Å; V884-V913 HydrophobicContact CG1-CG2 4.26Å; V884-V913 HydrophobicContact CG2-CG2 3.84Å; V884-W915 HydrophobicContact CG1-CB 4.16Å; V884-W915 HydrophobicContact CG1-CE3 4.14Å; V884-A959 HydrophobicContact CG1-CB 4.27Å; V884-D960 PolarHBondContact N-OD2 3.04Å; V884-D960 PolarHBondContact O-N 3.47Å; V884-I961 PolarHBondContact O-N 2.84Å
885	Y	98.9	Very high	95.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	141.7	164.9	-65.4	-77.8	0	0	0	109.4	V883 I905 L906 V909 V913 L914 W915 I961 L963 A1021 G1025	V883-Y885 HydrophobicContact CB-CE2 4.47Å; V883-Y885 HydrophobicContact CG1-CD2 4.21Å; V883-Y885 HydrophobicContact CG1-CE1 4.47Å; V883-Y885 HydrophobicContact CG1-CE2 3.77Å; Y885-I905 HydrophobicContact CD1-CG2 4.39Å; Y885-I905 HydrophobicContact CD2-CG2 4.22Å; Y885-I905 HydrophobicContact CE1-CG2 3.88Å; Y885-I905 HydrophobicContact CE2-CG2 3.69Å; Y885-I905 VanDerWaalsContact CZ-CG2 3.49Å; Y885-L906 HydrophobicContact CD2-CD2 4.16Å; Y885-V909 HydrophobicContact CE2-CB 4.5Å; Y885-V913 PolarHBondContact N-O 2.98Å; Y885-L914 CarbonylContact O-C 3.53Å; Y885-L914 WeakPolarHBondContact O-CA 3.43Å; Y885-W915 WeakPolarHBondContact O-CB 3.45Å; Y885-W915 PolarHBondContact O-N 3.11Å; Y885-I961 CarbonylContact C-O 3.55Å; Y885-I961 VanDerWaalsContact CA-O 3.29Å; Y885-I961 WeakPolarHBondContact CA-O 3.43Å; Y885-I961 HydrophobicContact CD1-CB 3.75Å; Y885-I961 HydrophobicContact CD1-CD1 4.21Å; Y885-I961 HydrophobicContact CD1-CG1 4.47Å; Y885-I961 HydrophobicContact CD1-CG2 4.08Å; Y885-I961 HydrophobicContact CE1-CB 3.95Å; Y885-I961 HydrophobicContact CE1-CD1 3.78Å; Y885-I961 HydrophobicContact CE1-CG1 4.2Å; Y885-I961 HydrophobicContact CE1-CG2 4.21Å; Y885-L963 HydrophobicContact CD1-CD1 3.86Å; Y885-L963 HydrophobicContact CD1-CD2 3.77Å; Y885-L963 HydrophobicContact CD1-CG 3.8Å; Y885-L963 HydrophobicContact CE1-CD2 4.26Å; Y885-L963 HydrophobicContact CG-CD1 3.97Å; Y885-L963 HydrophobicContact CG-CG 4.29Å; Y885-A1021 HydrophobicContact CE1-CB 4.27Å; Y885-A1021 PolarHBondContact OH-O 3.03Å; Y885-G1025 VanDerWaalsContact OH-CA 3.31Å; Y885-G1025 WeakPolarHBondContact OH-CA 3.45Å
886	C	98.6	Very high	95.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	154.6	177.6	71.4	0	0	0	0	114.3	F888 W915 A959 I961 G962 L963 M977	C886-F888 HydrophobicContact CB-CE1 4.22Å; C886-F888 HydrophobicContact CB-CZ 4.31Å; C886-W915 CarbonylContact C-O 3.47Å; C886-W915 WeakPolarHBondContact CA-O 3.45Å; C886-W915 HydrophobicContact CB-CB 4.13Å; C886-W915 HydrophobicContact CB-CE3 4.38Å; C886-W915 WeakPolarHBondContact CB-O 3.27Å; C886-A959 HydrophobicContact CB-CB 3.88Å; C886-A959 WeakPolarHBondContact SG-CB 3.47Å; C886-I961 PolarHBondContact N-O 3.02Å; C886-G962 CarbonylContact O-C 3.54Å; C886-G962 WeakPolarHBondContact O-CA 3.44Å; C886-L963 PolarHBondContact O-N 3.11Å; C886-M977 WeakPolarHBondContact SG-CE 3.23Å
887	N	98.1	Very high	95.5	Very high	6 Å²	6	27 Å²	27	3%	0.032	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	119.2	163.4	-177	-47.3	0	0	0	108.5	N889 W902 W915 L916 L917 L963	N887-N889 PolarHBondContact ND2-ND2 2.92Å; N887-N889 WeakPolarHBondContact OD1-CA 3.39Å; N887-N889 WeakPolarHBondContact OD1-CB 3.46Å; N887-N889 PolarHBondContact OD1-N 3.12Å; N887-N889 PolarHBondContact OD1-ND2 3.12Å; N887-W902 HydrophobicContact CB-CH2 3.81Å; N887-W902 HydrophobicContact CB-CZ2 4.24Å; N887-W902 HydrophobicContact CB-CZ3 4.43Å; N887-W902 WeakPolarHBondContact ND2-CH2 3.26Å; N887-W902 WeakPolarHBondContact ND2-CZ2 3.43Å; N887-W915 PolarHBondContact N-O 3.06Å; N887-L916 HydrophobicContact CB-CD2 3.98Å; N887-L916 WeakPolarHBondContact O-CA 3.49Å; N887-L917 PolarHBondContact O-N 3.17Å; N887-L963 WeakPolarHBondContact CB-O 3.49Å; N887-L963 PolarHBondContact ND2-O 3.22Å
888	F	96.8	Very high	95.7	Very high	3 Å²	3	24.7 Å²	24.7	1%	0.013	13%	0.128	C	C	.	.			trans	-105.4	19.3	178.3	-58.1	-30.1	0	0	0	114	C886 W915 L917 H952 R955 T973 M977	C886-F888 HydrophobicContact CB-CE1 4.22Å; C886-F888 HydrophobicContact CB-CZ 4.31Å; F888-W915 AromaticContact CE1-CD2 3.8Å; F888-W915 HydrophobicContact CE1-CD2 3.8Å; F888-W915 AromaticContact CE1-CE3 3.96Å; F888-W915 HydrophobicContact CE1-CE3 3.96Å; F888-W915 HydrophobicContact CE1-CG 4.2Å; F888-W915 HydrophobicContact CE1-CZ2 4.37Å; F888-W915 HydrophobicContact CE1-CZ3 4.34Å; F888-W915 AromaticContact CZ-CD2 3.88Å; F888-W915 HydrophobicContact CZ-CD2 3.88Å; F888-W915 AromaticContact CZ-CE3 3.58Å; F888-W915 HydrophobicContact CZ-CE3 3.58Å; F888-W915 AromaticContact CZ-CH2 3.84Å; F888-W915 HydrophobicContact CZ-CH2 3.84Å; F888-W915 HydrophobicContact CZ-CZ2 4.1Å; F888-W915 AromaticContact CZ-CZ3 3.57Å; F888-W915 HydrophobicContact CZ-CZ3 3.57Å; F888-L917 WeakPolarHBondContact O-CD2 3.37Å; F888-H952 VanDerWaalsContact CB-CE1 3.5Å; F888-H952 WeakPolarHBondContact CB-CE1 3.27Å; F888-R955 HydrophobicContact CE2-CG 3.73Å; F888-R955 VanDerWaalsContact CE2-NE 3.3Å; F888-R955 HydrophobicContact CZ-CG 4.08Å; F888-T973 HydrophobicContact CB-CG2 3.95Å; F888-M977 HydrophobicContact CB-CE 4.02Å; F888-M977 HydrophobicContact CD1-CE 4.39Å; F888-M977 HydrophobicContact CD2-CE 3.06Å; F888-M977 HydrophobicContact CD2-SD 4.39Å; F888-M977 HydrophobicContact CE2-CE 3.43Å; F888-M977 VanDerWaalsContact CE2-CE 3.43Å; F888-M977 HydrophobicContact CE2-SD 4.43Å; F888-M977 HydrophobicContact CG-CE 3.57Å; F888-M977 HydrophobicContact CZ-CE 4.24Å
889	N	94.4	Very high	95.7	Very high	7 Å²	7	24.3 Å²	24.3	4%	0.037	13%	0.126	C	C	.	.	S	Bend	trans	-69.5	162.9	166.7	-67	-73.6	0	0	0	110.3	N887 K893	N887-N889 PolarHBondContact ND2-ND2 2.92Å; N887-N889 WeakPolarHBondContact OD1-CA 3.39Å; N887-N889 WeakPolarHBondContact OD1-CB 3.46Å; N887-N889 PolarHBondContact OD1-N 3.12Å; N887-N889 PolarHBondContact OD1-ND2 3.12Å; N889-K893 HydrophobicContact CB-CD 3.95Å; N889-K893 PolarHBondContact OD1-NZ 3.29Å
890	Q	92.8	Very high	95.9	Very high	81 Å²	81	27.5 Å²	27.5	38%	0.379	14%	0.135	S	C	.	.			trans	-65.8	146.3	167.4	-58.5	-166.4	18.4	0	0	110.9	Y892 K893 F919	Q890-Y892 HydrophobicContact CB-CD1 3.54Å; Q890-Y892 HydrophobicContact CB-CE1 3.56Å; Q890-Y892 HydrophobicContact CG-CD1 4.48Å; Q890-Y892 HydrophobicContact CG-CE1 4.13Å; Q890-Y892 PolarHBondContact O-N 3.21Å; Q890-Y892 VanDerWaalsContact O-N 3.14Å; Q890-Y892 VanDerWaalsContact OE1-CE1 3.31Å; Q890-K893 PolarHBondContact O-N 3.31Å; Q890-F919 HydrophobicContact CB-CD1 4.48Å; Q890-F919 HydrophobicContact CG-CD1 3.86Å; Q890-F919 HydrophobicContact CG-CE1 4.34Å
891	M	93.5	Very high	96.2	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.01	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-67.2	-19.9	-169.4	-65.1	-59.3	-76.8	0	0	114.1	K893 V894 L916 F919 A923 V927 F943	M891-K893 PolarHBondContact O-N 3.21Å; M891-K893 VanDerWaalsContact O-N 3.11Å; M891-V894 WeakPolarHBondContact O-CB 3.32Å; M891-V894 PolarHBondContact O-N 3.43Å; M891-L916 HydrophobicContact CE-CD1 3.84Å; M891-L916 HydrophobicContact SD-CB 4.33Å; M891-L916 HydrophobicContact SD-CD1 4.49Å; M891-F919 WeakPolarHBondContact CG-O 3.42Å; M891-F919 PolarHBondContact N-O 2.97Å; M891-A923 HydrophobicContact CB-CB 3.91Å; M891-A923 HydrophobicContact CG-CB 4.04Å; M891-V927 HydrophobicContact CE-CB 4.28Å; M891-V927 HydrophobicContact CE-CG1 4.17Å; M891-V927 HydrophobicContact CE-CG2 3.34Å; M891-F943 HydrophobicContact CE-CE1 4.31Å
892	Y	92.7	Very high	96.6	Very high	40 Å²	40	18.9 Å²	18.9	16%	0.157	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-62.6	-18	176.3	78.3	-103.4	0	0	0	113.7	V515 L552 Q890 V894	V515-Y892 HydrophobicContact CG2-CG 4.49Å; L552-Y892 HydrophobicContact CD1-CD2 3.59Å; L552-Y892 HydrophobicContact CD1-CE2 3.89Å; L552-Y892 HydrophobicContact CD2-CD2 3.94Å; L552-Y892 HydrophobicContact CD2-CE2 3.99Å; L552-Y892 HydrophobicContact CG-CD2 4.43Å; Q890-Y892 HydrophobicContact CB-CD1 3.54Å; Q890-Y892 HydrophobicContact CB-CE1 3.56Å; Q890-Y892 HydrophobicContact CG-CD1 4.48Å; Q890-Y892 HydrophobicContact CG-CE1 4.13Å; Q890-Y892 PolarHBondContact O-N 3.21Å; Q890-Y892 VanDerWaalsContact O-N 3.14Å; Q890-Y892 VanDerWaalsContact OE1-CE1 3.31Å; Y892-V894 VanDerWaalsContact C-N 3.26Å
893	K	95.5	Very high	96.7	Very high	21 Å²	21	18.6 Å²	18.6	9%	0.091	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-79.6	-8.2	175.4	-59.8	-164.5	-174.1	178.4	0	113.2	N889 Q890 M891 S965 C968 N969	N889-K893 HydrophobicContact CB-CD 3.95Å; N889-K893 PolarHBondContact OD1-NZ 3.29Å; Q890-K893 PolarHBondContact O-N 3.31Å; M891-K893 PolarHBondContact O-N 3.21Å; M891-K893 VanDerWaalsContact O-N 3.11Å; K893-S965 WeakPolarHBondContact O-CB 3.17Å; K893-C968 HydrophobicContact CD-CB 3.99Å; K893-C968 WeakPolarHBondContact CD-O 3.46Å; K893-C968 HydrophobicContact CG-CB 4.31Å; K893-N969 PolarHBondContact NZ-O 3.34Å
894	V	95.5	Very high	96.8	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.012	11%	0.105	C	C	.	.			trans	-96.6	115.4	179.8	-172.7	0	0	0	0	108.9	W519 M891 Y892 T898 L899 W902	W519-V894 HydrophobicContact CH2-CG1 4.44Å; W519-V894 HydrophobicContact CZ2-CG1 4.37Å; W519-V894 WeakPolarHBondContact CZ2-O 3.44Å; M891-V894 WeakPolarHBondContact O-CB 3.32Å; M891-V894 PolarHBondContact O-N 3.43Å; Y892-V894 VanDerWaalsContact C-N 3.26Å; V894-T898 HydrophobicContact CG1-CG2 4.38Å; V894-L899 HydrophobicContact CG1-CB 3.91Å; V894-W902 HydrophobicContact CG1-CH2 4.32Å; V894-W902 HydrophobicContact CG1-CZ3 4.03Å; V894-W902 HydrophobicContact CG2-CH2 3.61Å; V894-W902 HydrophobicContact CG2-CZ3 3.81Å
895	D	95.2	Very high	96.8	Very high	8 Å²	8	21.7 Å²	21.7	4%	0.043	11%	0.105	C	C	.	.			trans	-97.8	162.3	170.3	65.1	-43.3	0	0	0	110.9	P897 T898 L899 L967	D895-P897 VanDerWaalsContact OD2-CD 3.28Å; D895-P897 WeakPolarHBondContact OD2-CD 3.4Å; D895-P897 WeakPolarHBondContact OD2-CG 3.26Å; D895-T898 WeakPolarHBondContact O-CB 3.27Å; D895-T898 PolarHBondContact O-N 3.24Å; D895-T898 WeakPolarHBondContact OD1-CB 3.26Å; D895-T898 PolarHBondContact OD1-OG1 2.93Å; D895-L899 PolarHBondContact O-N 2.95Å; D895-L899 VanDerWaalsContact O-N 3.11Å; D895-L967 HydrophobicContact CB-CD1 3.69Å
896	P	96.4	Very high	96.8	Very high	23 Å²	23	21.7 Å²	21.7	15%	0.149	11%	0.105	C	C	.	.	H	α-helix	trans	-54.6	-43.8	-177.7	-18.3	25.3	0	0	0	114.1	W519 Y522 T898 L899 K900 F930	W519-P896 HydrophobicContact CB-CG 4.09Å; W519-P896 HydrophobicContact CD2-CB 4.35Å; W519-P896 HydrophobicContact CD2-CG 3.7Å; W519-P896 HydrophobicContact CE3-CB 4.26Å; W519-P896 HydrophobicContact CE3-CG 4.1Å; W519-P896 HydrophobicContact CG-CG 3.7Å; Y522-P896 HydrophobicContact CD1-CG 4.07Å; Y522-P896 HydrophobicContact CD2-CG 4.41Å; Y522-P896 HydrophobicContact CE1-CG 4.25Å; Y522-P896 HydrophobicContact CG-CG 4.15Å; P896-T898 VanDerWaalsContact C-N 3.26Å; P896-T898 PolarHBondContact O-N 3.04Å; P896-L899 PolarHBondContact O-N 3.02Å; P896-K900 WeakPolarHBondContact O-CB 3.3Å; P896-K900 PolarHBondContact O-N 3.32Å; P896-F930 HydrophobicContact CB-CE2 4.08Å; P896-F930 HydrophobicContact CB-CZ 4.23Å
897	P	96.3	Very high	96.8	Very high	52 Å²	52	25.3 Å²	25.3	34%	0.338	13%	0.125	S	C	.	.	H	α-helix	trans	-57	-35.2	173.8	-28.1	35.8	0	0	0	114.3	D895 M901 R1014	D895-P897 VanDerWaalsContact OD2-CD 3.28Å; D895-P897 WeakPolarHBondContact OD2-CD 3.4Å; D895-P897 WeakPolarHBondContact OD2-CG 3.26Å; P897-M901 WeakPolarHBondContact O-CG 3.28Å; P897-M901 PolarHBondContact O-N 3.34Å; P897-R1014 VanDerWaalsContact CB-CZ 3.44Å; P897-R1014 VanDerWaalsContact CB-NH2 3.35Å; P897-R1014 PolarHBondContact O-NH1 2.97Å
898	T	97.8	Very high	96.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-72.6	-46.9	178.8	-64.3	0	0	0	0	111.9	V894 D895 P896 K900 M901 W902 P966	V894-T898 HydrophobicContact CG1-CG2 4.38Å; D895-T898 WeakPolarHBondContact O-CB 3.27Å; D895-T898 PolarHBondContact O-N 3.24Å; D895-T898 WeakPolarHBondContact OD1-CB 3.26Å; D895-T898 PolarHBondContact OD1-OG1 2.93Å; P896-T898 VanDerWaalsContact C-N 3.26Å; P896-T898 PolarHBondContact O-N 3.04Å; T898-K900 PolarHBondContact O-N 3.4Å; T898-M901 HydrophobicContact CG2-CE 4.43Å; T898-M901 WeakPolarHBondContact O-CB 3.05Å; T898-M901 PolarHBondContact O-N 3.02Å; T898-M901 VanDerWaalsContact O-N 3.15Å; T898-W902 HydrophobicContact CG2-CD2 4.3Å; T898-W902 HydrophobicContact CG2-CH2 4.26Å; T898-W902 HydrophobicContact CG2-CZ2 3.62Å; T898-W902 PolarHBondContact O-N 2.84Å; T898-W902 VanDerWaalsContact O-N 3.13Å; T898-P966 WeakPolarHBondContact OG1-CD 3.3Å
899	L	98.2	Very high	96.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.3	-31.5	177.1	-170.6	58.2	0	0	0	111.6	W519 V894 D895 P896 W902 C903 L914 V927 F930	W519-L899 HydrophobicContact CH2-CB 3.86Å; W519-L899 HydrophobicContact CH2-CD2 3.52Å; W519-L899 HydrophobicContact CH2-CG 4.33Å; W519-L899 HydrophobicContact CZ3-CB 4.36Å; W519-L899 HydrophobicContact CZ3-CD2 3.74Å; V894-L899 HydrophobicContact CG1-CB 3.91Å; D895-L899 PolarHBondContact O-N 2.95Å; D895-L899 VanDerWaalsContact O-N 3.11Å; P896-L899 PolarHBondContact O-N 3.02Å; L899-W902 HydrophobicContact CD1-CB 4.45Å; L899-W902 HydrophobicContact CD1-CE3 3.7Å; L899-W902 HydrophobicContact CD1-CZ3 4.4Å; L899-W902 PolarHBondContact O-N 3.15Å; L899-C903 PolarHBondContact O-N 3.06Å; L899-C903 PolarHBondContact O-SG 3.07Å; L899-L914 HydrophobicContact CD1-CD2 4.36Å; L899-V927 HydrophobicContact CD1-CG1 4.45Å; L899-V927 HydrophobicContact CD2-CB 4.46Å; L899-V927 HydrophobicContact CD2-CG1 3.91Å; L899-F930 HydrophobicContact CB-CD1 4.16Å; L899-F930 HydrophobicContact CB-CE1 3.97Å; L899-F930 HydrophobicContact CD2-CB 3.97Å; L899-F930 HydrophobicContact CD2-CD1 3.45Å; L899-F930 VanDerWaalsContact CD2-CD1 3.45Å; L899-F930 HydrophobicContact CD2-CE1 4.15Å; L899-F930 HydrophobicContact CD2-CG 3.92Å; L899-F930 HydrophobicContact CG-CD1 3.72Å; L899-F930 HydrophobicContact CG-CE1 3.99Å
900	K	98.6	Very high	97	Very high	112 Å²	112	34.9 Å²	34.9	49%	0.487	17%	0.174	S	C	.	.	H	α-helix	trans	-61.5	-46.2	172.4	-172.9	172.1	-174.8	176.8	0	112.6	P896 T898 W902 C903 E904 F930	P896-K900 WeakPolarHBondContact O-CB 3.3Å; P896-K900 PolarHBondContact O-N 3.32Å; T898-K900 PolarHBondContact O-N 3.4Å; K900-W902 VanDerWaalsContact C-N 3.27Å; K900-W902 PolarHBondContact O-N 2.78Å; K900-C903 PolarHBondContact O-N 2.73Å; K900-E904 PolarHBondContact O-N 2.92Å; K900-F930 HydrophobicContact CB-CE1 4.44Å; K900-F930 HydrophobicContact CB-CZ 4.46Å
901	M	98.6	Very high	97.2	Very high	9 Å²	9	35.8 Å²	35.8	4%	0.044	18%	0.181	C	C	.	.	H	α-helix	trans	-57.9	-42	174	-68.1	-173.1	-54.2	0	0	111.3	P897 T898 E904 I905 P966 R1014 Y1017 V1018	P897-M901 WeakPolarHBondContact O-CG 3.28Å; P897-M901 PolarHBondContact O-N 3.34Å; T898-M901 HydrophobicContact CG2-CE 4.43Å; T898-M901 WeakPolarHBondContact O-CB 3.05Å; T898-M901 PolarHBondContact O-N 3.02Å; T898-M901 VanDerWaalsContact O-N 3.15Å; M901-E904 WeakPolarHBondContact O-CB 3.13Å; M901-E904 PolarHBondContact O-N 3.45Å; M901-I905 VanDerWaalsContact O-CG1 3.29Å; M901-I905 WeakPolarHBondContact O-CG1 3.25Å; M901-I905 PolarHBondContact O-N 3.03Å; M901-P966 HydrophobicContact CE-CG 3.78Å; M901-R1014 HydrophobicContact SD-CB 3.57Å; M901-R1014 VanDerWaalsContact SD-CB 3.57Å; M901-R1014 HydrophobicContact SD-CG 3.6Å; M901-R1014 VanDerWaalsContact SD-CG 3.6Å; M901-Y1017 HydrophobicContact CE-CD1 4.17Å; M901-Y1017 HydrophobicContact CE-CE1 4.31Å; M901-Y1017 HydrophobicContact SD-CD1 4.22Å; M901-V1018 HydrophobicContact CB-CG2 3.94Å; M901-V1018 HydrophobicContact CG-CG2 4.17Å
902	W	98.8	Very high	97.4	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-66.2	-38.4	178.2	-60.3	-9.8	0	0	0	112.3	N887 V894 T898 L899 K900 E904 I905 L906 L914 L916 L963 Y1017	N887-W902 HydrophobicContact CB-CH2 3.81Å; N887-W902 HydrophobicContact CB-CZ2 4.24Å; N887-W902 HydrophobicContact CB-CZ3 4.43Å; N887-W902 WeakPolarHBondContact ND2-CH2 3.26Å; N887-W902 WeakPolarHBondContact ND2-CZ2 3.43Å; V894-W902 HydrophobicContact CG1-CH2 4.32Å; V894-W902 HydrophobicContact CG1-CZ3 4.03Å; V894-W902 HydrophobicContact CG2-CH2 3.61Å; V894-W902 HydrophobicContact CG2-CZ3 3.81Å; T898-W902 HydrophobicContact CG2-CD2 4.3Å; T898-W902 HydrophobicContact CG2-CH2 4.26Å; T898-W902 HydrophobicContact CG2-CZ2 3.62Å; T898-W902 PolarHBondContact O-N 2.84Å; T898-W902 VanDerWaalsContact O-N 3.13Å; L899-W902 HydrophobicContact CD1-CB 4.45Å; L899-W902 HydrophobicContact CD1-CE3 3.7Å; L899-W902 HydrophobicContact CD1-CZ3 4.4Å; L899-W902 PolarHBondContact O-N 3.15Å; K900-W902 VanDerWaalsContact C-N 3.27Å; K900-W902 PolarHBondContact O-N 2.78Å; W902-E904 VanDerWaalsContact C-N 3.34Å; W902-I905 PolarHBondContact O-N 2.85Å; W902-L906 WeakPolarHBondContact O-CG 3.4Å; W902-L906 PolarHBondContact O-N 2.97Å; W902-L914 HydrophobicContact CB-CD2 4.22Å; W902-L914 HydrophobicContact CE3-CD1 4.35Å; W902-L914 HydrophobicContact CE3-CD2 3.94Å; W902-L916 HydrophobicContact CE3-CD2 4.28Å; W902-L916 HydrophobicContact CH2-CD2 4.45Å; W902-L916 HydrophobicContact CZ3-CD2 3.73Å; W902-L963 HydrophobicContact CB-CD1 4.44Å; W902-L963 HydrophobicContact CG-CD1 4Å; W902-L963 HydrophobicContact CZ2-CB 4.38Å; W902-Y1017 PolarHBondContact NE1-OH 2.84Å
903	C	98.9	Very high	97.7	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.007	18%	0.177	C	C	.	.	H	α-helix	trans	-63.2	-41.6	173.3	-65.5	0	0	0	0	111.7	L899 K900 I905 L906 N907 E934 V936	L899-C903 PolarHBondContact O-N 3.06Å; L899-C903 PolarHBondContact O-SG 3.07Å; K900-C903 PolarHBondContact O-N 2.73Å; C903-I905 PolarHBondContact O-N 2.94Å; C903-L906 PolarHBondContact O-N 3.46Å; C903-N907 WeakPolarHBondContact O-CB 3.47Å; C903-N907 VanDerWaalsContact O-CG 3.27Å; C903-N907 PolarHBondContact O-N 3.1Å; C903-N907 PolarHBondContact O-ND2 2.94Å; C903-E934 HydrophobicContact CB-CB 3.78Å; C903-E934 HydrophobicContact CB-CG 4.47Å; C903-V936 HydrophobicContact CB-CG2 3.73Å
904	E	98.8	Very high	97.9	Very high	87 Å²	87	33.3 Å²	33.3	41%	0.407	17%	0.172	S	C	.	.	H	α-helix	trans	-60.9	-44.7	175.2	-171.3	-178	152.3	0	0	112	K900 M901 W902 L906 N907 R908 V1018	K900-E904 PolarHBondContact O-N 2.92Å; M901-E904 WeakPolarHBondContact O-CB 3.13Å; M901-E904 PolarHBondContact O-N 3.45Å; W902-E904 VanDerWaalsContact C-N 3.34Å; E904-L906 VanDerWaalsContact C-N 3.34Å; E904-L906 PolarHBondContact O-N 3Å; E904-N907 PolarHBondContact O-N 3.06Å; E904-R908 WeakPolarHBondContact O-CG 3.36Å; E904-R908 PolarHBondContact O-N 3.31Å; E904-R908 IonicContact OE1-NH1 3.28Å; E904-V1018 HydrophobicContact CG-CG1 4.15Å
905	I	98.9	Very high	98	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56.7	-48.9	174.6	-67.8	161.4	0	0	0	110.3	Y885 M901 W902 C903 N907 R908 V909 L963 Y1017 V1018 A1021 V1022	Y885-I905 HydrophobicContact CD1-CG2 4.39Å; Y885-I905 HydrophobicContact CD2-CG2 4.22Å; Y885-I905 HydrophobicContact CE1-CG2 3.88Å; Y885-I905 HydrophobicContact CE2-CG2 3.69Å; Y885-I905 VanDerWaalsContact CZ-CG2 3.49Å; M901-I905 VanDerWaalsContact O-CG1 3.29Å; M901-I905 WeakPolarHBondContact O-CG1 3.25Å; M901-I905 PolarHBondContact O-N 3.03Å; W902-I905 PolarHBondContact O-N 2.85Å; C903-I905 PolarHBondContact O-N 2.94Å; I905-N907 VanDerWaalsContact C-N 3.31Å; I905-N907 PolarHBondContact O-N 3.39Å; I905-R908 PolarHBondContact O-N 3Å; I905-V909 PolarHBondContact O-N 3.23Å; I905-L963 HydrophobicContact CD1-CD1 4.05Å; I905-L963 HydrophobicContact CD1-CD2 4.1Å; I905-Y1017 HydrophobicContact CD1-CD1 4.27Å; I905-Y1017 HydrophobicContact CD1-CE1 3.96Å; I905-V1018 HydrophobicContact CD1-CG2 4.45Å; I905-V1018 HydrophobicContact CG1-CB 4.24Å; I905-V1018 HydrophobicContact CG1-CG1 3.89Å; I905-V1018 HydrophobicContact CG1-CG2 4.17Å; I905-A1021 HydrophobicContact CD1-CB 3.51Å; I905-A1021 HydrophobicContact CG1-CB 3.92Å; I905-A1021 HydrophobicContact CG2-CB 4.19Å; I905-V1022 HydrophobicContact CG1-CG2 4.39Å; I905-V1022 HydrophobicContact CG2-CG2 4.42Å
906	L	98.9	Very high	98.2	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-62.9	-36.5	178.3	-68.6	178.3	0	0	0	112.4	Y885 W902 C903 E904 V909 S912 L914 V936 R940	Y885-L906 HydrophobicContact CD2-CD2 4.16Å; W902-L906 WeakPolarHBondContact O-CG 3.4Å; W902-L906 PolarHBondContact O-N 2.97Å; C903-L906 PolarHBondContact O-N 3.46Å; E904-L906 VanDerWaalsContact C-N 3.34Å; E904-L906 PolarHBondContact O-N 3Å; L906-V909 CarbonylContact O-C 3.56Å; L906-V909 PolarHBondContact O-N 2.85Å; L906-S912 VanDerWaalsContact CD2-OG 3.3Å; L906-S912 WeakPolarHBondContact CD2-OG 3.49Å; L906-L914 HydrophobicContact CD1-CB 3.77Å; L906-L914 HydrophobicContact CD1-CD2 4.41Å; L906-L914 HydrophobicContact CD2-CB 4.12Å; L906-L914 HydrophobicContact CG-CB 4.37Å; L906-V936 HydrophobicContact CB-CG1 4.44Å; L906-V936 HydrophobicContact CB-CG2 4.16Å; L906-V936 HydrophobicContact CD1-CG1 3.64Å; L906-V936 HydrophobicContact CD1-CG2 4.28Å; L906-R940 VanDerWaalsContact O-CZ 3.31Å; L906-R940 PolarHBondContact O-NH1 2.87Å; L906-R940 PolarHBondContact O-NH2 3.42Å
907	N	98.7	Very high	98.2	Very high	75 Å²	75	32.5 Å²	32.5	40%	0.401	17%	0.166	S	C	.	.	H	α-helix	trans	-69.5	-36	177	-73	-23.4	0	0	0	111.8	C903 E904 I905 E934	C903-N907 WeakPolarHBondContact O-CB 3.47Å; C903-N907 VanDerWaalsContact O-CG 3.27Å; C903-N907 PolarHBondContact O-N 3.1Å; C903-N907 PolarHBondContact O-ND2 2.94Å; E904-N907 PolarHBondContact O-N 3.06Å; I905-N907 VanDerWaalsContact C-N 3.31Å; I905-N907 PolarHBondContact O-N 3.39Å; N907-E934 PolarHBondContact ND2-O 2.94Å; N907-E934 VanDerWaalsContact ND2-O 3.15Å
908	R	98.7	Very high	98.2	Very high	108 Å²	108	34 Å²	34	41%	0.408	17%	0.165	S	C	.	.	H	α-helix	trans	-77.4	-18.8	176.3	-71.2	175.7	64.3	179.4	-6.7	113.6	E904 I905 D1019 V1022	E904-R908 WeakPolarHBondContact O-CG 3.36Å; E904-R908 PolarHBondContact O-N 3.31Å; E904-R908 IonicContact OE1-NH1 3.28Å; I905-R908 PolarHBondContact O-N 3Å; R908-D1019 IonicContact CZ-OD1 3.89Å; R908-D1019 VanDerWaalsContact CZ-OD1 3.25Å; R908-D1019 IonicContact NH1-OD1 2.93Å; R908-D1019 PolarHBondContact NH1-OD1 3.06Å; R908-D1019 IonicContact NH2-OD1 3.18Å; R908-D1019 PolarHBondContact NH2-OD1 3.43Å; R908-V1022 HydrophobicContact CB-CG1 4.18Å; R908-V1022 HydrophobicContact CB-CG2 3.71Å; R908-V1022 HydrophobicContact CG-CG2 4.47Å
909	V	98.6	Very high	97.9	Very high	7 Å²	7	38.1 Å²	38.1	4%	0.042	18%	0.183	C	C	.	.	S	Bend	trans	-122.2	83.1	176.9	-169.8	0	0	0	0	109.8	V883 Y885 I905 L906 N911 S912 R940 V1022 T1026	V883-V909 HydrophobicContact CG2-CG1 4.46Å; Y885-V909 HydrophobicContact CE2-CB 4.5Å; I905-V909 PolarHBondContact O-N 3.23Å; L906-V909 CarbonylContact O-C 3.56Å; L906-V909 PolarHBondContact O-N 2.85Å; V909-N911 PolarHBondContact O-N 3.47Å; V909-S912 WeakPolarHBondContact O-CB 3.15Å; V909-S912 PolarHBondContact O-N 3.1Å; V909-S912 PolarHBondContact O-OG 3.18Å; V909-R940 PolarHBondContact O-NH2 3.04Å; V909-V1022 HydrophobicContact CG2-CB 4.42Å; V909-V1022 HydrophobicContact CG2-CG1 4.21Å; V909-V1022 HydrophobicContact CG2-CG2 4.23Å; V909-T1026 HydrophobicContact CG2-CG2 3.99Å
910	P	96.6	Very high	97.6	Very high	102 Å²	102	39 Å²	39	66%	0.662	19%	0.189	S	C	*	.	S	Bend	trans	-60.2	-37.7	-169	-27.4	35.6	0	0	0	115.1	S912 R940	P910-S912 VanDerWaalsContact C-N 3.27Å; P910-S912 PolarHBondContact O-N 3.07Å; P910-S912 VanDerWaalsContact O-N 3.16Å; P910-R940 PolarHBondContact O-NH2 3.46Å
911	N	96.6	Very high	97.3	Very high	100 Å²	100	36.5 Å²	36.5	54%	0.535	19%	0.189	S	C	.	.	S	Bend	trans	-89.7	59.6	176.1	-173.3	32.8	0	0	0	111.1	E881 A882 V883 V909	E881-N911 PolarHBondContact O-ND2 3.44Å; A882-N911 WeakPolarHBondContact CA-O 3.5Å; A882-N911 WeakPolarHBondContact CB-O 3.44Å; A882-N911 WeakPolarHBondContact CB-OD1 3.18Å; V883-N911 PolarHBondContact N-O 3.21Å; V909-N911 PolarHBondContact O-N 3.47Å
912	S	98.4	Very high	96.9	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.014	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	158.4	176.9	68.9	0	0	0	0	112.7	V883 L906 V909 P910 R940	V883-S912 CarbonylContact O-C 3.58Å; V883-S912 WeakPolarHBondContact O-CA 3.43Å; V883-S912 VanDerWaalsContact O-CB 3.27Å; V883-S912 WeakPolarHBondContact O-CB 3.46Å; L906-S912 VanDerWaalsContact CD2-OG 3.3Å; L906-S912 WeakPolarHBondContact CD2-OG 3.49Å; V909-S912 WeakPolarHBondContact O-CB 3.15Å; V909-S912 PolarHBondContact O-N 3.1Å; V909-S912 PolarHBondContact O-OG 3.18Å; P910-S912 VanDerWaalsContact C-N 3.27Å; P910-S912 PolarHBondContact O-N 3.07Å; P910-S912 VanDerWaalsContact O-N 3.16Å; S912-R940 PolarHBondContact O-NE 3.29Å; S912-R940 PolarHBondContact O-NH2 3.25Å; S912-R940 PolarHBondContact OG-NH2 2.95Å
913	V	98.7	Very high	96.8	Very high	10 Å²	10	41.1 Å²	41.1	6%	0.061	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	151.6	174.1	-62	0	0	0	0	110.6	P879 V883 V884 Y885 R940	P879-V913 HydrophobicContact CG-CG1 3.73Å; P879-V913 HydrophobicContact CG-CG2 4.05Å; V883-V913 PolarHBondContact O-N 3.49Å; V884-V913 HydrophobicContact CB-CG2 4.28Å; V884-V913 HydrophobicContact CG1-CG2 4.26Å; V884-V913 HydrophobicContact CG2-CG2 3.84Å; Y885-V913 PolarHBondContact N-O 2.98Å; V913-R940 CarbonylContact C-O 3.55Å; V913-R940 VanDerWaalsContact CA-O 3.23Å; V913-R940 WeakPolarHBondContact CA-O 3.45Å; V913-R940 VanDerWaalsContact CB-O 3.3Å; V913-R940 WeakPolarHBondContact CB-O 3.5Å
914	L	98.9	Very high	96.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123.5	172.1	176.1	67.2	0	0	0	109.3	Y885 L899 W902 L906 L916 R940 V941 K942 L963	Y885-L914 CarbonylContact O-C 3.53Å; Y885-L914 WeakPolarHBondContact O-CA 3.43Å; L899-L914 HydrophobicContact CD1-CD2 4.36Å; W902-L914 HydrophobicContact CB-CD2 4.22Å; W902-L914 HydrophobicContact CE3-CD1 4.35Å; W902-L914 HydrophobicContact CE3-CD2 3.94Å; L906-L914 HydrophobicContact CD1-CB 3.77Å; L906-L914 HydrophobicContact CD1-CD2 4.41Å; L906-L914 HydrophobicContact CD2-CB 4.12Å; L906-L914 HydrophobicContact CG-CB 4.37Å; L914-L916 HydrophobicContact CD1-CD2 3.88Å; L914-L916 HydrophobicContact CD2-CD1 3.97Å; L914-L916 HydrophobicContact CD2-CD2 4.09Å; L914-L916 HydrophobicContact CD2-CG 4.14Å; L914-L916 HydrophobicContact CG-CD1 4.3Å; L914-L916 HydrophobicContact CG-CD2 3.82Å; L914-L916 HydrophobicContact CG-CG 3.93Å; L914-R940 PolarHBondContact N-O 2.95Å; L914-V941 CarbonylContact O-C 3.51Å; L914-V941 WeakPolarHBondContact O-CA 3.43Å; L914-K942 PolarHBondContact O-N 3.38Å; L914-L963 HydrophobicContact CD1-CD1 4.16Å
915	W	98.6	Very high	96.5	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.008	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	107.1	-175	-170.1	25.8	0	0	0	111.5	Y876 L878 V884 Y885 C886 N887 F888 K942 R955 L958	Y876-W915 HydrophobicContact CD1-CH2 4.11Å; Y876-W915 AromaticContact CD1-CZ2 3.61Å; Y876-W915 HydrophobicContact CD1-CZ2 3.61Å; Y876-W915 HydrophobicContact CD2-CH2 4.03Å; Y876-W915 HydrophobicContact CD2-CZ2 4.28Å; Y876-W915 HydrophobicContact CE1-CZ2 4.24Å; Y876-W915 HydrophobicContact CE2-CH2 4.42Å; Y876-W915 AromaticContact CG-CH2 3.84Å; Y876-W915 HydrophobicContact CG-CH2 3.84Å; Y876-W915 AromaticContact CG-CZ2 3.62Å; Y876-W915 HydrophobicContact CG-CZ2 3.62Å; L878-W915 HydrophobicContact CD1-CD2 3.83Å; L878-W915 HydrophobicContact CD1-CE3 3.55Å; L878-W915 HydrophobicContact CD1-CH2 3.83Å; L878-W915 HydrophobicContact CD1-CZ2 4.09Å; L878-W915 HydrophobicContact CD1-CZ3 3.53Å; L878-W915 HydrophobicContact CD2-CB 4.34Å; L878-W915 HydrophobicContact CD2-CD2 3.97Å; L878-W915 HydrophobicContact CD2-CE3 4.41Å; L878-W915 HydrophobicContact CD2-CG 3.94Å; L878-W915 HydrophobicContact CG-CD2 4.44Å; V884-W915 HydrophobicContact CG1-CB 4.16Å; V884-W915 HydrophobicContact CG1-CE3 4.14Å; Y885-W915 WeakPolarHBondContact O-CB 3.45Å; Y885-W915 PolarHBondContact O-N 3.11Å; C886-W915 CarbonylContact C-O 3.47Å; C886-W915 WeakPolarHBondContact CA-O 3.45Å; C886-W915 HydrophobicContact CB-CB 4.13Å; C886-W915 HydrophobicContact CB-CE3 4.38Å; C886-W915 WeakPolarHBondContact CB-O 3.27Å; N887-W915 PolarHBondContact N-O 3.06Å; F888-W915 AromaticContact CE1-CD2 3.8Å; F888-W915 HydrophobicContact CE1-CD2 3.8Å; F888-W915 AromaticContact CE1-CE3 3.96Å; F888-W915 HydrophobicContact CE1-CE3 3.96Å; F888-W915 HydrophobicContact CE1-CG 4.2Å; F888-W915 HydrophobicContact CE1-CZ2 4.37Å; F888-W915 HydrophobicContact CE1-CZ3 4.34Å; F888-W915 AromaticContact CZ-CD2 3.88Å; F888-W915 HydrophobicContact CZ-CD2 3.88Å; F888-W915 AromaticContact CZ-CE3 3.58Å; F888-W915 HydrophobicContact CZ-CE3 3.58Å; F888-W915 AromaticContact CZ-CH2 3.84Å; F888-W915 HydrophobicContact CZ-CH2 3.84Å; F888-W915 HydrophobicContact CZ-CZ2 4.1Å; F888-W915 AromaticContact CZ-CZ3 3.57Å; F888-W915 HydrophobicContact CZ-CZ3 3.57Å; W915-K942 CarbonylContact C-O 3.51Å; W915-K942 WeakPolarHBondContact CA-O 3.35Å; W915-R955 HydrophobicContact CH2-CB 4.12Å; W915-R955 HydrophobicContact CH2-CG 3.98Å; W915-L958 HydrophobicContact CZ3-CB 4.36Å
916	L	98.4	Very high	96.4	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	157.3	-173.2	-57.8	178.5	0	0	0	112.1	N887 M891 W902 L914 V927 V941 K942 F943 S944	N887-L916 HydrophobicContact CB-CD2 3.98Å; N887-L916 WeakPolarHBondContact O-CA 3.49Å; M891-L916 HydrophobicContact CE-CD1 3.84Å; M891-L916 HydrophobicContact SD-CB 4.33Å; M891-L916 HydrophobicContact SD-CD1 4.49Å; W902-L916 HydrophobicContact CE3-CD2 4.28Å; W902-L916 HydrophobicContact CH2-CD2 4.45Å; W902-L916 HydrophobicContact CZ3-CD2 3.73Å; L914-L916 HydrophobicContact CD1-CD2 3.88Å; L914-L916 HydrophobicContact CD2-CD1 3.97Å; L914-L916 HydrophobicContact CD2-CD2 4.09Å; L914-L916 HydrophobicContact CD2-CG 4.14Å; L914-L916 HydrophobicContact CG-CD1 4.3Å; L914-L916 HydrophobicContact CG-CD2 3.82Å; L914-L916 HydrophobicContact CG-CG 3.93Å; L916-V927 HydrophobicContact CD1-CG1 3.92Å; L916-V941 HydrophobicContact CD1-CG1 4.1Å; L916-K942 PolarHBondContact N-O 3.3Å; L916-F943 HydrophobicContact CB-CD1 3.99Å; L916-F943 HydrophobicContact CB-CE1 3.9Å; L916-F943 HydrophobicContact CD1-CE1 4.09Å; L916-F943 HydrophobicContact CD1-CZ 4.19Å; L916-F943 WeakPolarHBondContact O-CA 3.44Å; L916-S944 PolarHBondContact O-N 3.5Å
917	L	96.9	Very high	96.4	Very high	12 Å²	12	47.6 Å²	47.6	6%	0.063	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	129.6	168.1	179.3	68.6	0	0	0	110.6	N887 F888 F919 V946	N887-L917 PolarHBondContact O-N 3.17Å; F888-L917 WeakPolarHBondContact O-CD2 3.37Å; L917-F919 HydrophobicContact CD2-CB 3.84Å; L917-F919 HydrophobicContact CG-CB 3.85Å; L917-F919 PolarHBondContact O-N 2.85Å; L917-V946 HydrophobicContact CD1-CG2 4.19Å
918	R	95.3	Very high	96.4	Very high	83 Å²	83	45.9 Å²	45.9	31%	0.313	23%	0.232	S	C	.	.			trans	-80.1	65.7	173.8	-159.2	-169	-39.6	160.6	11.5	111.3	A921 E924 F943 S944 N945	R918-A921 HydrophobicContact CG-CB 4.21Å; R918-E924 WeakPolarHBondContact CD-OE2 3.31Å; R918-E924 VanDerWaalsContact CG-OE2 3.3Å; R918-E924 WeakPolarHBondContact CG-OE2 3.41Å; R918-E924 IonicContact NE-OE2 3.13Å; R918-F943 HydrophobicContact CB-CB 4.09Å; R918-F943 HydrophobicContact CB-CD1 4.43Å; R918-F943 HydrophobicContact CG-CB 4.29Å; R918-S944 VanDerWaalsContact CB-O 3.24Å; R918-S944 WeakPolarHBondContact CB-O 3.5Å; R918-S944 PolarHBondContact N-O 2.96Å; R918-N945 PolarHBondContact NE-OD1 2.89Å; R918-N945 PolarHBondContact NH1-OD1 3.47Å; R918-N945 PolarHBondContact NH2-OD1 2.98Å
919	F	92.4	Very high	96.4	Very high	88 Å²	88	47.2 Å²	47.2	39%	0.386	24%	0.241	S	C	.	.	S	Bend	trans	-146.6	112.7	178.8	-167.2	-102.4	0	0	0	113.4	Q890 M891 L917 V946	Q890-F919 HydrophobicContact CB-CD1 4.48Å; Q890-F919 HydrophobicContact CG-CD1 3.86Å; Q890-F919 HydrophobicContact CG-CE1 4.34Å; M891-F919 WeakPolarHBondContact CG-O 3.42Å; M891-F919 PolarHBondContact N-O 2.97Å; L917-F919 HydrophobicContact CD2-CB 3.84Å; L917-F919 HydrophobicContact CG-CB 3.85Å; L917-F919 PolarHBondContact O-N 2.85Å; F919-V946 HydrophobicContact CB-CG2 3.9Å; F919-V946 HydrophobicContact CD2-CG2 3.66Å; F919-V946 HydrophobicContact CE2-CG2 4.47Å; F919-V946 HydrophobicContact CG-CG2 3.95Å
920	P	91.9	Very high	96.3	Very high	18 Å²	18	48.6 Å²	48.6	12%	0.117	25%	0.246	C	C	.	.	S	Bend	cis	-73.8	159	-6.3	34	-37.2	0	0	0	112.1	V515 I516 H922 A923	V515-P920 HydrophobicContact CG1-CG 3.83Å; V515-P920 WeakPolarHBondContact O-CD 3.44Å; V515-P920 WeakPolarHBondContact O-CG 3.42Å; I516-P920 HydrophobicContact CG2-CG 4.03Å; P920-H922 PolarHBondContact O-N 3.28Å; P920-A923 HydrophobicContact CG-CB 4.45Å; P920-A923 WeakPolarHBondContact O-CB 3.46Å; P920-A923 PolarHBondContact O-N 3.16Å
921	A	91.7	Very high	96.4	Very high	59 Å²	59	43.7 Å²	43.7	49%	0.488	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-30.1	177.4	0	0	0	0	0	113.8	R918 A923 E924	R918-A921 HydrophobicContact CG-CB 4.21Å; A921-A923 PolarHBondContact O-N 3.09Å; A921-A923 VanDerWaalsContact O-N 3.16Å; A921-E924 VanDerWaalsContact O-CB 3.31Å; A921-E924 WeakPolarHBondContact O-CB 3.34Å; A921-E924 PolarHBondContact O-N 3.35Å; A921-E924 VanDerWaalsContact O-N 3.14Å
922	H	91.2	Very high	96.5	Very high	107 Å²	107	45 Å²	45	50%	0.495	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.9	176.9	-59.4	95.3	0	0	0	113.9	P486 I516 P920 E924	P486-H922 WeakPolarHBondContact CG-NE2 3.22Å; I516-H922 HydrophobicContact CB-CB 4.24Å; I516-H922 HydrophobicContact CG2-CB 3.81Å; P920-H922 PolarHBondContact O-N 3.28Å; H922-E924 VanDerWaalsContact C-N 3.33Å
923	A	95.4	Very high	96.5	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-72.4	-26.7	177.4	0	0	0	0	0	113.3	I516 C517 M891 P920 A921 H925 N926 V927	I516-A923 WeakPolarHBondContact O-CA 3.44Å; C517-A923 HydrophobicContact CB-CB 4.35Å; M891-A923 HydrophobicContact CB-CB 3.91Å; M891-A923 HydrophobicContact CG-CB 4.04Å; P920-A923 HydrophobicContact CG-CB 4.45Å; P920-A923 WeakPolarHBondContact O-CB 3.46Å; P920-A923 PolarHBondContact O-N 3.16Å; A921-A923 PolarHBondContact O-N 3.09Å; A921-A923 VanDerWaalsContact O-N 3.16Å; A923-H925 PolarHBondContact O-N 3.23Å; A923-N926 PolarHBondContact O-N 3.38Å; A923-V927 WeakPolarHBondContact O-CG2 3.39Å; A923-V927 PolarHBondContact O-N 3.27Å
924	E	96.3	Very high	96.5	Very high	59 Å²	59	55.4 Å²	55.4	28%	0.276	26%	0.262	S	S	.	.	H	α-helix	trans	-56.1	-49.2	-173.2	178.1	167.7	156.4	0	0	112.1	R918 A921 H922 N926 V927 L928 F943	R918-E924 WeakPolarHBondContact CD-OE2 3.31Å; R918-E924 VanDerWaalsContact CG-OE2 3.3Å; R918-E924 WeakPolarHBondContact CG-OE2 3.41Å; R918-E924 IonicContact NE-OE2 3.13Å; A921-E924 VanDerWaalsContact O-CB 3.31Å; A921-E924 WeakPolarHBondContact O-CB 3.34Å; A921-E924 PolarHBondContact O-N 3.35Å; A921-E924 VanDerWaalsContact O-N 3.14Å; H922-E924 VanDerWaalsContact C-N 3.33Å; E924-N926 PolarHBondContact O-N 2.93Å; E924-V927 PolarHBondContact O-N 2.7Å; E924-L928 HydrophobicContact CG-CD1 4.02Å; E924-L928 HydrophobicContact CG-CG 4.43Å; E924-L928 WeakPolarHBondContact O-CB 3.35Å; E924-L928 VanDerWaalsContact O-CG 3.3Å; E924-L928 WeakPolarHBondContact O-CG 3.06Å; E924-L928 PolarHBondContact O-N 3.41Å; E924-F943 HydrophobicContact CB-CD1 4.43Å; E924-F943 HydrophobicContact CB-CE1 4.25Å; E924-F943 HydrophobicContact CB-CE2 4.47Å; E924-F943 HydrophobicContact CB-CZ 4.27Å; E924-F943 HydrophobicContact CG-CD1 4.28Å; E924-F943 HydrophobicContact CG-CD2 3.67Å; E924-F943 HydrophobicContact CG-CE1 4.24Å; E924-F943 HydrophobicContact CG-CE2 3.64Å; E924-F943 HydrophobicContact CG-CG 4Å; E924-F943 HydrophobicContact CG-CZ 3.92Å
925	H	96.1	Very high	96.4	Very high	130 Å²	130	58 Å²	58	60%	0.602	29%	0.29	S	S	*	.	H	α-helix	trans	-59.9	-44.5	-179.9	177.6	69.6	0	0	0	112.5	A923 L928 K929	A923-H925 PolarHBondContact O-N 3.23Å; H925-L928 PolarHBondContact O-N 3.38Å; H925-K929 WeakPolarHBondContact O-CB 3.43Å; H925-K929 PolarHBondContact O-N 3.16Å
926	N	97.2	Very high	96.4	Very high	37 Å²	37	58 Å²	58	20%	0.198	29%	0.29	C	S	.	.	H	α-helix	trans	-68	-38.9	-178.4	-69	-31.1	0	0	0	111.8	I516 C517 A923 E924 F930	I516-N926 PolarHBondContact O-ND2 3.45Å; C517-N926 HydrophobicContact CB-CB 4.27Å; C517-N926 WeakPolarHBondContact O-CB 3.32Å; A923-N926 PolarHBondContact O-N 3.38Å; E924-N926 PolarHBondContact O-N 2.93Å; N926-F930 WeakPolarHBondContact O-CB 3.4Å; N926-F930 PolarHBondContact O-N 2.82Å
927	V	98.4	Very high	96.4	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-66	-47.3	176.8	171.5	0	0	0	0	110.7	C517 M891 L899 L916 A923 E924 K929 F930 C931 F943	C517-V927 HydrophobicContact CB-CG2 3.87Å; M891-V927 HydrophobicContact CE-CB 4.28Å; M891-V927 HydrophobicContact CE-CG1 4.17Å; M891-V927 HydrophobicContact CE-CG2 3.34Å; L899-V927 HydrophobicContact CD1-CG1 4.45Å; L899-V927 HydrophobicContact CD2-CB 4.46Å; L899-V927 HydrophobicContact CD2-CG1 3.91Å; L916-V927 HydrophobicContact CD1-CG1 3.92Å; A923-V927 WeakPolarHBondContact O-CG2 3.39Å; A923-V927 PolarHBondContact O-N 3.27Å; E924-V927 PolarHBondContact O-N 2.7Å; V927-K929 VanDerWaalsContact C-N 3.34Å; V927-K929 PolarHBondContact O-N 3.3Å; V927-F930 PolarHBondContact O-N 3.24Å; V927-C931 PolarHBondContact O-N 3Å; V927-C931 PolarHBondContact O-SG 3.13Å; V927-F943 HydrophobicContact CB-CZ 4.12Å; V927-F943 HydrophobicContact CG1-CZ 3.82Å
928	L	98.5	Very high	96.4	Very high	39 Å²	39	63.2 Å²	63.2	20%	0.204	32%	0.32	C	S	.	.	H	α-helix	trans	-59.6	-44.9	177	-71.3	178	0	0	0	111.7	E924 H925 F930 C931 E932 P938 V941 F943	E924-L928 HydrophobicContact CG-CD1 4.02Å; E924-L928 HydrophobicContact CG-CG 4.43Å; E924-L928 WeakPolarHBondContact O-CB 3.35Å; E924-L928 VanDerWaalsContact O-CG 3.3Å; E924-L928 WeakPolarHBondContact O-CG 3.06Å; E924-L928 PolarHBondContact O-N 3.41Å; H925-L928 PolarHBondContact O-N 3.38Å; L928-F930 VanDerWaalsContact C-N 3.31Å; L928-F930 PolarHBondContact O-N 3.23Å; L928-C931 PolarHBondContact O-N 3.2Å; L928-E932 WeakPolarHBondContact O-CB 3.28Å; L928-E932 PolarHBondContact O-N 3.28Å; L928-P938 HydrophobicContact CD2-CB 4.09Å; L928-V941 HydrophobicContact CD2-CB 3.77Å; L928-V941 HydrophobicContact CD2-CG1 4.13Å; L928-V941 HydrophobicContact CD2-CG2 4.44Å; L928-F943 HydrophobicContact CD1-CE2 4.46Å; L928-F943 HydrophobicContact CD2-CE2 3.8Å; L928-F943 HydrophobicContact CG-CE2 3.96Å
929	K	97.9	Very high	96.5	Very high	136 Å²	136	66.8 Å²	66.8	59%	0.591	34%	0.338	S	S	*	.	H	α-helix	trans	-60.6	-39.4	176.3	-176.7	-177.9	179.5	-177.7	0	112.2	H925 V927 K933	H925-K929 WeakPolarHBondContact O-CB 3.43Å; H925-K929 PolarHBondContact O-N 3.16Å; V927-K929 VanDerWaalsContact C-N 3.34Å; V927-K929 PolarHBondContact O-N 3.3Å; K929-K933 PolarHBondContact O-N 2.9Å
930	F	98.1	Very high	96.8	Very high	35 Å²	35	64.6 Å²	64.6	15%	0.154	33%	0.327	C	S	.	.	H	α-helix	trans	-67.5	-47.4	176.1	-173	-83.5	0	0	0	111.5	W519 P896 L899 K900 N926 V927 L928 E932 K933 E934	W519-F930 HydrophobicContact CE3-CB 4.46Å; W519-F930 AromaticContact CE3-CD2 3.48Å; W519-F930 HydrophobicContact CE3-CD2 3.48Å; W519-F930 VanDerWaalsContact CE3-CD2 3.48Å; W519-F930 AromaticContact CE3-CE2 3.83Å; W519-F930 HydrophobicContact CE3-CE2 3.83Å; W519-F930 HydrophobicContact CE3-CG 4.09Å; W519-F930 HydrophobicContact CZ3-CB 3.89Å; W519-F930 HydrophobicContact CZ3-CD1 4.07Å; W519-F930 AromaticContact CZ3-CD2 3.36Å; W519-F930 HydrophobicContact CZ3-CD2 3.36Å; W519-F930 HydrophobicContact CZ3-CE1 4.42Å; W519-F930 AromaticContact CZ3-CE2 3.77Å; W519-F930 HydrophobicContact CZ3-CE2 3.77Å; W519-F930 AromaticContact CZ3-CG 3.51Å; W519-F930 HydrophobicContact CZ3-CG 3.51Å; W519-F930 HydrophobicContact CZ3-CZ 4.28Å; P896-F930 HydrophobicContact CB-CE2 4.08Å; P896-F930 HydrophobicContact CB-CZ 4.23Å; L899-F930 HydrophobicContact CB-CD1 4.16Å; L899-F930 HydrophobicContact CB-CE1 3.97Å; L899-F930 HydrophobicContact CD2-CB 3.97Å; L899-F930 HydrophobicContact CD2-CD1 3.45Å; L899-F930 VanDerWaalsContact CD2-CD1 3.45Å; L899-F930 HydrophobicContact CD2-CE1 4.15Å; L899-F930 HydrophobicContact CD2-CG 3.92Å; L899-F930 HydrophobicContact CG-CD1 3.72Å; L899-F930 HydrophobicContact CG-CE1 3.99Å; K900-F930 HydrophobicContact CB-CE1 4.44Å; K900-F930 HydrophobicContact CB-CZ 4.46Å; N926-F930 WeakPolarHBondContact O-CB 3.4Å; N926-F930 PolarHBondContact O-N 2.82Å; V927-F930 PolarHBondContact O-N 3.24Å; L928-F930 VanDerWaalsContact C-N 3.31Å; L928-F930 PolarHBondContact O-N 3.23Å; F930-E932 VanDerWaalsContact C-N 3.33Å; F930-E932 PolarHBondContact O-N 3.36Å; F930-K933 WeakPolarHBondContact O-CB 3.21Å; F930-K933 PolarHBondContact O-N 3.29Å; F930-K933 VanDerWaalsContact O-N 3.16Å; F930-E934 HydrophobicContact CD1-CG 3.94Å; F930-E934 HydrophobicContact CE1-CG 3.59Å; F930-E934 HydrophobicContact CZ-CG 4.19Å; F930-E934 PolarHBondContact O-N 3.36Å
931	C	98.6	Very high	97.1	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-59.3	-42.7	178.1	-69	0	0	0	0	112.2	V927 L928 K933 E934 G935 V936 V941	V927-C931 PolarHBondContact O-N 3Å; V927-C931 PolarHBondContact O-SG 3.13Å; L928-C931 PolarHBondContact O-N 3.2Å; C931-K933 VanDerWaalsContact C-N 3.32Å; C931-K933 PolarHBondContact O-N 2.88Å; C931-E934 CarbonylContact O-C 3.56Å; C931-E934 PolarHBondContact O-N 3.45Å; C931-E934 VanDerWaalsContact O-N 3.16Å; C931-G935 PolarHBondContact O-N 3.31Å; C931-V936 HydrophobicContact CB-CB 4.18Å; C931-V936 WeakPolarHBondContact O-CB 3.5Å; C931-V936 PolarHBondContact O-N 2.92Å; C931-V941 HydrophobicContact CB-CG2 4.08Å
932	E	98.4	Very high	97.4	Very high	126 Å²	126	64.5 Å²	64.5	59%	0.589	31%	0.314	S	S	*	.	H	α-helix	trans	-59.7	-43.2	175.8	-172.9	174.3	-155.4	0	0	111.4	L928 F930 E934 G935 V936 P938	L928-E932 WeakPolarHBondContact O-CB 3.28Å; L928-E932 PolarHBondContact O-N 3.28Å; F930-E932 VanDerWaalsContact C-N 3.33Å; F930-E932 PolarHBondContact O-N 3.36Å; E932-E934 VanDerWaalsContact C-N 3.3Å; E932-E934 PolarHBondContact O-N 3.36Å; E932-G935 PolarHBondContact O-N 3.35Å; E932-V936 WeakPolarHBondContact CA-O 3.41Å; E932-P938 HydrophobicContact CB-CG 4.03Å; E932-P938 HydrophobicContact CG-CG 4.28Å
933	K	97.9	Very high	97.7	Very high	172 Å²	172	60.6 Å²	60.6	75%	0.748	30%	0.296	S	S	*	.	H	α-helix	trans	-63.3	-34	176.3	-175.7	-175.9	173.4	-171.1	0	112.7	K929 F930 C931 G935	K929-K933 PolarHBondContact O-N 2.9Å; F930-K933 WeakPolarHBondContact O-CB 3.21Å; F930-K933 PolarHBondContact O-N 3.29Å; F930-K933 VanDerWaalsContact O-N 3.16Å; C931-K933 VanDerWaalsContact C-N 3.32Å; C931-K933 PolarHBondContact O-N 2.88Å; K933-G935 PolarHBondContact O-N 3.12Å
934	E	97.9	Very high	97.6	Very high	59 Å²	59	61.2 Å²	61.2	28%	0.276	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	11.8	175.4	-61.8	-65.2	134	0	0	113.1	C903 N907 F930 C931 E932	C903-E934 HydrophobicContact CB-CB 3.78Å; C903-E934 HydrophobicContact CB-CG 4.47Å; N907-E934 PolarHBondContact ND2-O 2.94Å; N907-E934 VanDerWaalsContact ND2-O 3.15Å; F930-E934 HydrophobicContact CD1-CG 3.94Å; F930-E934 HydrophobicContact CE1-CG 3.59Å; F930-E934 HydrophobicContact CZ-CG 4.19Å; F930-E934 PolarHBondContact O-N 3.36Å; C931-E934 CarbonylContact O-C 3.56Å; C931-E934 PolarHBondContact O-N 3.45Å; C931-E934 VanDerWaalsContact O-N 3.16Å; E932-E934 VanDerWaalsContact C-N 3.3Å; E932-E934 PolarHBondContact O-N 3.36Å
935	G	97.6	Very high	97.5	Very high	56 Å²	56	62.6 Å²	62.6	58%	0.577	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	13.2	172	0	0	0	0	0	115.6	C931 E932 K933	C931-G935 PolarHBondContact O-N 3.31Å; E932-G935 PolarHBondContact O-N 3.35Å; K933-G935 PolarHBondContact O-N 3.12Å
936	V	98.6	Very high	97.3	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.012	31%	0.308	C	S	.	.			trans	-95.6	125.5	177	177.4	0	0	0	0	110	C903 L906 C931 E932 P938 R940 V941	C903-V936 HydrophobicContact CB-CG2 3.73Å; L906-V936 HydrophobicContact CB-CG1 4.44Å; L906-V936 HydrophobicContact CB-CG2 4.16Å; L906-V936 HydrophobicContact CD1-CG1 3.64Å; L906-V936 HydrophobicContact CD1-CG2 4.28Å; C931-V936 HydrophobicContact CB-CB 4.18Å; C931-V936 WeakPolarHBondContact O-CB 3.5Å; C931-V936 PolarHBondContact O-N 2.92Å; E932-V936 WeakPolarHBondContact CA-O 3.41Å; V936-P938 VanDerWaalsContact O-CD 3.31Å; V936-P938 WeakPolarHBondContact O-CD 3.05Å; V936-R940 HydrophobicContact CG1-CB 4.37Å; V936-V941 HydrophobicContact CG1-CG2 4.23Å
937	D	98.2	Very high	97.1	Very high	80 Å²	80	59.9 Å²	59.9	43%	0.428	31%	0.305	S	S	.	.			trans	-56.4	120.1	171.7	179.9	-12.2	0	0	0	110.2	K939 R940	D937-K939 PolarHBondContact O-N 3.39Å; D937-K939 WeakPolarHBondContact OD1-CB 3.47Å; D937-K939 WeakPolarHBondContact OD1-CG 3.4Å; D937-K939 PolarHBondContact OD1-N 2.91Å; D937-R940 HydrophobicContact CB-CG 4.24Å; D937-R940 WeakPolarHBondContact O-CB 3.49Å; D937-R940 PolarHBondContact O-N 3.42Å
938	P	97.6	Very high	96.9	Very high	41 Å²	41	61.3 Å²	61.3	27%	0.266	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-49.3	-29.7	177.1	-32.1	38.7	0	0	0	114.4	L928 E932 V936 R940 V941	L928-P938 HydrophobicContact CD2-CB 4.09Å; E932-P938 HydrophobicContact CB-CG 4.03Å; E932-P938 HydrophobicContact CG-CG 4.28Å; V936-P938 VanDerWaalsContact O-CD 3.31Å; V936-P938 WeakPolarHBondContact O-CD 3.05Å; P938-R940 PolarHBondContact O-N 3.24Å; P938-V941 PolarHBondContact O-N 2.93Å; P938-V941 VanDerWaalsContact O-N 3.07Å
939	K	97	Very high	96.8	Very high	159 Å²	159	60.5 Å²	60.5	69%	0.691	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-64.5	-20.9	177.8	-66.3	174.7	-178	171	0	113.6	D937 V941 K942	D937-K939 PolarHBondContact O-N 3.39Å; D937-K939 WeakPolarHBondContact OD1-CB 3.47Å; D937-K939 WeakPolarHBondContact OD1-CG 3.4Å; D937-K939 PolarHBondContact OD1-N 2.91Å; K939-V941 VanDerWaalsContact C-N 3.34Å; K939-K942 WeakPolarHBondContact O-CE 3.38Å; K939-K942 PolarHBondContact O-NZ 3.34Å
940	R	98.4	Very high	96.7	Very high	41 Å²	41	54 Å²	54	16%	0.155	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-82.6	-11.4	176.3	-62.5	177.5	62.5	-163.1	-1.5	113	L906 V909 P910 S912 V913 L914 V936 D937 P938	L906-R940 VanDerWaalsContact O-CZ 3.31Å; L906-R940 PolarHBondContact O-NH1 2.87Å; L906-R940 PolarHBondContact O-NH2 3.42Å; V909-R940 PolarHBondContact O-NH2 3.04Å; P910-R940 PolarHBondContact O-NH2 3.46Å; S912-R940 PolarHBondContact O-NE 3.29Å; S912-R940 PolarHBondContact O-NH2 3.25Å; S912-R940 PolarHBondContact OG-NH2 2.95Å; V913-R940 CarbonylContact C-O 3.55Å; V913-R940 VanDerWaalsContact CA-O 3.23Å; V913-R940 WeakPolarHBondContact CA-O 3.45Å; V913-R940 VanDerWaalsContact CB-O 3.3Å; V913-R940 WeakPolarHBondContact CB-O 3.5Å; L914-R940 PolarHBondContact N-O 2.95Å; V936-R940 HydrophobicContact CG1-CB 4.37Å; D937-R940 HydrophobicContact CB-CG 4.24Å; D937-R940 WeakPolarHBondContact O-CB 3.49Å; D937-R940 PolarHBondContact O-N 3.42Å; P938-R940 PolarHBondContact O-N 3.24Å
941	V	98.6	Very high	96.5	Very high	8 Å²	8	53.5 Å²	53.5	5%	0.048	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114	173.8	-170.9	0	0	0	0	108	L914 L916 L928 C931 V936 P938 K939 F943	L914-V941 CarbonylContact O-C 3.51Å; L914-V941 WeakPolarHBondContact O-CA 3.43Å; L916-V941 HydrophobicContact CD1-CG1 4.1Å; L928-V941 HydrophobicContact CD2-CB 3.77Å; L928-V941 HydrophobicContact CD2-CG1 4.13Å; L928-V941 HydrophobicContact CD2-CG2 4.44Å; C931-V941 HydrophobicContact CB-CG2 4.08Å; V936-V941 HydrophobicContact CG1-CG2 4.23Å; P938-V941 PolarHBondContact O-N 2.93Å; P938-V941 VanDerWaalsContact O-N 3.07Å; K939-V941 VanDerWaalsContact C-N 3.34Å; V941-F943 HydrophobicContact CB-CE2 4.44Å; V941-F943 HydrophobicContact CG1-CD2 4.43Å; V941-F943 HydrophobicContact CG1-CE2 3.6Å; V941-F943 HydrophobicContact CG1-CZ 3.89Å
942	K	98.2	Very high	96.4	Very high	67 Å²	67	54.6 Å²	54.6	29%	0.291	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	143.8	-177.5	-59.8	-58.2	-168.2	-166	0	109.9	L878 L914 W915 L916 K939	L878-K942 HydrophobicContact CD2-CB 4.26Å; L878-K942 HydrophobicContact CD2-CG 4.22Å; L914-K942 PolarHBondContact O-N 3.38Å; W915-K942 CarbonylContact C-O 3.51Å; W915-K942 WeakPolarHBondContact CA-O 3.35Å; L916-K942 PolarHBondContact N-O 3.3Å; K939-K942 WeakPolarHBondContact O-CE 3.38Å; K939-K942 PolarHBondContact O-NZ 3.34Å
943	F	97.6	Very high	96.4	Very high	26 Å²	26	48.7 Å²	48.7	11%	0.114	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	123	-179.8	-71.9	-89.8	0	0	0	111.3	M891 L916 R918 E924 V927 L928 V941	M891-F943 HydrophobicContact CE-CE1 4.31Å; L916-F943 HydrophobicContact CB-CD1 3.99Å; L916-F943 HydrophobicContact CB-CE1 3.9Å; L916-F943 HydrophobicContact CD1-CE1 4.09Å; L916-F943 HydrophobicContact CD1-CZ 4.19Å; L916-F943 WeakPolarHBondContact O-CA 3.44Å; R918-F943 HydrophobicContact CB-CB 4.09Å; R918-F943 HydrophobicContact CB-CD1 4.43Å; R918-F943 HydrophobicContact CG-CB 4.29Å; E924-F943 HydrophobicContact CB-CD1 4.43Å; E924-F943 HydrophobicContact CB-CE1 4.25Å; E924-F943 HydrophobicContact CB-CE2 4.47Å; E924-F943 HydrophobicContact CB-CZ 4.27Å; E924-F943 HydrophobicContact CG-CD1 4.28Å; E924-F943 HydrophobicContact CG-CD2 3.67Å; E924-F943 HydrophobicContact CG-CE1 4.24Å; E924-F943 HydrophobicContact CG-CE2 3.64Å; E924-F943 HydrophobicContact CG-CG 4Å; E924-F943 HydrophobicContact CG-CZ 3.92Å; V927-F943 HydrophobicContact CB-CZ 4.12Å; V927-F943 HydrophobicContact CG1-CZ 3.82Å; L928-F943 HydrophobicContact CD1-CE2 4.46Å; L928-F943 HydrophobicContact CD2-CE2 3.8Å; L928-F943 HydrophobicContact CG-CE2 3.96Å; V941-F943 HydrophobicContact CB-CE2 4.44Å; V941-F943 HydrophobicContact CG1-CD2 4.43Å; V941-F943 HydrophobicContact CG1-CE2 3.6Å; V941-F943 HydrophobicContact CG1-CZ 3.89Å
944	S	93.6	Very high	96.3	Very high	12 Å²	12	40.5 Å²	40.5	8%	0.084	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	145.6	170.3	-168.7	0	0	0	0	111.6	L916 R918 R955	L916-S944 PolarHBondContact O-N 3.5Å; R918-S944 VanDerWaalsContact CB-O 3.24Å; R918-S944 WeakPolarHBondContact CB-O 3.5Å; R918-S944 PolarHBondContact N-O 2.96Å; S944-R955 PolarHBondContact OG-NH1 3.39Å
945	N	92.6	Very high	96.2	Very high	88 Å²	88	37.7 Å²	37.7	47%	0.471	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-62	162.1	169	-71.4	-33.2	0	0	0	111.9	R918 A947 R955	R918-N945 PolarHBondContact NE-OD1 2.89Å; R918-N945 PolarHBondContact NH1-OD1 3.47Å; R918-N945 PolarHBondContact NH2-OD1 2.98Å; N945-A947 PolarHBondContact O-N 3.44Å; N945-R955 PolarHBondContact O-NH1 2.72Å
946	V	93.4	Very high	96.2	Very high	93 Å²	93	35.1 Å²	35.1	56%	0.564	18%	0.183	S	C	*	.	P	Polyproline II helix	trans	-55.9	128	162.2	-178.3	0	0	0	0	107.9	L917 F919	L917-V946 HydrophobicContact CD1-CG2 4.19Å; F919-V946 HydrophobicContact CB-CG2 3.9Å; F919-V946 HydrophobicContact CD2-CG2 3.66Å; F919-V946 HydrophobicContact CE2-CG2 4.47Å; F919-V946 HydrophobicContact CG-CG2 3.95Å
947	A	93.1	Very high	96.2	Very high	17 Å²	17	35 Å²	35	14%	0.14	18%	0.183	C	C	.	.			trans	-112.3	154.6	-179.7	0	0	0	0	0	109.6	N945 E951 H952 R955	N945-A947 PolarHBondContact O-N 3.44Å; A947-E951 HydrophobicContact CB-CB 4.06Å; A947-E951 VanDerWaalsContact CB-CD 3.48Å; A947-E951 HydrophobicContact CB-CG 3.99Å; A947-E951 WeakPolarHBondContact CB-OE2 3.39Å; A947-H952 HydrophobicContact CB-CB 4.41Å; A947-R955 VanDerWaalsContact CB-NH1 3.32Å
948	A	93.7	Very high	96.1	Very high	30 Å²	30	31.2 Å²	31.2	25%	0.248	16%	0.162	C	C	.	.			trans	-62.3	156.6	169.4	0	0	0	0	0	110	A859 E950 E951 H952	A859-A948 HydrophobicContact CB-CB 3.91Å; A859-A948 CarbonylContact O-C 3.55Å; A859-A948 WeakPolarHBondContact O-CB 3.3Å; A948-E950 PolarHBondContact O-N 2.93Å; A948-E951 PolarHBondContact O-N 2.92Å; A948-E951 VanDerWaalsContact O-N 3.1Å; A948-H952 WeakPolarHBondContact O-CB 3.37Å; A948-H952 PolarHBondContact O-N 3Å
949	K	95.1	Very high	96.1	Very high	22 Å²	22	29.2 Å²	29.2	10%	0.096	15%	0.15	C	C	.	.	H	α-helix	trans	-58.1	-42.2	-165.6	-179.4	62.9	-178	-171.2	0	113.6	H611 F751 A859 T860 H952 V953 D976	H611-K949 WeakPolarHBondContact ND1-CD 3.47Å; H611-K949 VanDerWaalsContact ND1-CE 3.33Å; H611-K949 WeakPolarHBondContact ND1-CE 3.36Å; H611-K949 PolarHBondContact ND1-NZ 3.11Å; F751-K949 HydrophobicContact CZ-CG 3.86Å; A859-K949 PolarHBondContact O-N 3.32Å; T860-K949 WeakPolarHBondContact O-CB 3.3Å; K949-H952 WeakPolarHBondContact O-CB 3.45Å; K949-H952 PolarHBondContact O-N 3.22Å; K949-V953 HydrophobicContact CD-CG2 4.42Å; K949-V953 WeakPolarHBondContact O-CG2 3.24Å; K949-V953 PolarHBondContact O-N 3.28Å; K949-V953 VanDerWaalsContact O-N 3.16Å; K949-D976 WeakPolarHBondContact CE-OD1 3.44Å; K949-D976 IonicContact NZ-OD1 3.62Å; K949-D976 PolarHBondContact NZ-OD1 3.08Å; K949-D976 IonicContact NZ-OD2 3.51Å; K949-D976 PolarHBondContact NZ-OD2 2.82Å
950	E	95.9	Very high	96.2	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-60.3	-48.4	177.6	-173.3	-75	155.7	0	0	110.9	F751 H753 L851 A858 A859 P865 A948 H952 V953 R954	F751-E950 HydrophobicContact CE1-CB 4.39Å; H753-E950 IonicContact CD2-OE1 2.69Å; H753-E950 IonicContact CE1-OE1 3.75Å; H753-E950 IonicContact NE2-OE1 2.82Å; H753-E950 PolarHBondContact NE2-OE1 3.08Å; L851-E950 HydrophobicContact CD1-CG 4.06Å; L851-E950 VanDerWaalsContact CD1-OE2 3.31Å; L851-E950 WeakPolarHBondContact CD1-OE2 3.42Å; A858-E950 VanDerWaalsContact O-CB 3.24Å; A858-E950 WeakPolarHBondContact O-CB 3.38Å; A859-E950 WeakPolarHBondContact O-CB 3.33Å; A859-E950 PolarHBondContact O-N 3.35Å; P865-E950 HydrophobicContact CG-CG 4.1Å; A948-E950 PolarHBondContact O-N 2.93Å; E950-H952 VanDerWaalsContact C-N 3.34Å; E950-H952 PolarHBondContact O-N 3.33Å; E950-V953 PolarHBondContact O-N 3.29Å; E950-R954 WeakPolarHBondContact O-CB 3.43Å; E950-R954 PolarHBondContact O-N 2.84Å; E950-R954 VanDerWaalsContact OE1-CD 3.28Å; E950-R954 WeakPolarHBondContact OE1-CD 3.33Å; E950-R954 IonicContact OE1-CZ 2.94Å; E950-R954 IonicContact OE1-NE 3.27Å; E950-R954 PolarHBondContact OE1-NE 3.42Å; E950-R954 IonicContact OE2-CZ 2.8Å; E950-R954 IonicContact OE2-NE 3.12Å; E950-R954 PolarHBondContact OE2-NE 3.42Å; E950-R954 IonicContact OE2-NH2 3.73Å; E950-R954 PolarHBondContact OE2-NH2 3.38Å
951	E	95.5	Very high	96.2	Very high	23 Å²	23	20.3 Å²	20.3	11%	0.107	11%	0.113	C	C	.	.	H	α-helix	trans	-65.2	-39.9	179.8	-175.9	-158.1	155.2	0	0	111.1	Y876 A947 A948 V953 R954 R955	Y876-E951 WeakPolarHBondContact CE1-OE1 3.48Å; Y876-E951 WeakPolarHBondContact OH-CG 3.09Å; Y876-E951 PolarHBondContact OH-OE1 3.17Å; A947-E951 HydrophobicContact CB-CB 4.06Å; A947-E951 VanDerWaalsContact CB-CD 3.48Å; A947-E951 HydrophobicContact CB-CG 3.99Å; A947-E951 WeakPolarHBondContact CB-OE2 3.39Å; A948-E951 PolarHBondContact O-N 2.92Å; A948-E951 VanDerWaalsContact O-N 3.1Å; E951-V953 VanDerWaalsContact C-N 3.28Å; E951-V953 PolarHBondContact O-N 3.03Å; E951-R954 PolarHBondContact O-N 2.83Å; E951-R955 VanDerWaalsContact O-CB 3.25Å; E951-R955 WeakPolarHBondContact O-CB 3.43Å; E951-R955 VanDerWaalsContact O-CG 3.25Å; E951-R955 WeakPolarHBondContact O-CG 3.29Å; E951-R955 PolarHBondContact O-N 3.3Å
952	H	95.7	Very high	96.2	Very high	24 Å²	24	20.1 Å²	20.1	11%	0.111	11%	0.112	C	C	.	.	H	α-helix	trans	-55	-44.6	176.6	-178.5	94.3	0	0	0	111.7	F888 A947 A948 K949 E950 D976	F888-H952 VanDerWaalsContact CB-CE1 3.5Å; F888-H952 WeakPolarHBondContact CB-CE1 3.27Å; A947-H952 HydrophobicContact CB-CB 4.41Å; A948-H952 WeakPolarHBondContact O-CB 3.37Å; A948-H952 PolarHBondContact O-N 3Å; K949-H952 WeakPolarHBondContact O-CB 3.45Å; K949-H952 PolarHBondContact O-N 3.22Å; E950-H952 VanDerWaalsContact C-N 3.34Å; E950-H952 PolarHBondContact O-N 3.33Å; H952-D976 IonicContact CD2-OD2 2.66Å; H952-D976 PolarHBondContact CD2-OD2 3.01Å; H952-D976 IonicContact NE2-OD2 2.77Å; H952-D976 PolarHBondContact NE2-OD2 3.35Å
953	V	97.5	Very high	96.2	Very high	1 Å²	1	17 Å²	17	1%	0.006	10%	0.099	C	C	.	.	H	α-helix	trans	-73.1	-53.3	177	-180	0	0	0	0	110.3	F751 L754 K949 E950 E951 R955 G956 D976 A980	F751-V953 HydrophobicContact CD2-CG1 4.28Å; F751-V953 HydrophobicContact CD2-CG2 4.36Å; F751-V953 HydrophobicContact CE2-CB 4.5Å; F751-V953 HydrophobicContact CE2-CG2 3.8Å; F751-V953 HydrophobicContact CZ-CG2 4.02Å; L754-V953 HydrophobicContact CD1-CB 4.29Å; L754-V953 HydrophobicContact CD1-CG1 3.7Å; K949-V953 HydrophobicContact CD-CG2 4.42Å; K949-V953 WeakPolarHBondContact O-CG2 3.24Å; K949-V953 PolarHBondContact O-N 3.28Å; K949-V953 VanDerWaalsContact O-N 3.16Å; E950-V953 PolarHBondContact O-N 3.29Å; E951-V953 VanDerWaalsContact C-N 3.28Å; E951-V953 PolarHBondContact O-N 3.03Å; V953-R955 PolarHBondContact O-N 3.04Å; V953-G956 PolarHBondContact O-N 3.49Å; V953-D976 HydrophobicContact CG2-CB 3.87Å; V953-A980 WeakPolarHBondContact O-CB 3.13Å
954	R	97	Very high	96.3	Very high	1 Å²	1	15.9 Å²	15.9	0%	0.004	9%	0.094	C	C	.	.	H	α-helix	trans	-59.8	-41.7	-174.1	179.5	174	45.1	64.7	14.3	112.8	L754 G847 T871 E950 E951 G956 Q957	L754-R954 HydrophobicContact CD1-CB 4.11Å; L754-R954 HydrophobicContact CD2-CB 4.04Å; L754-R954 HydrophobicContact CD2-CG 3.89Å; G847-R954 VanDerWaalsContact O-CZ 3.23Å; G847-R954 PolarHBondContact O-NH1 3.16Å; G847-R954 PolarHBondContact O-NH2 3.25Å; T871-R954 VanDerWaalsContact OG1-CD 3.29Å; T871-R954 WeakPolarHBondContact OG1-CD 3.23Å; T871-R954 PolarHBondContact OG1-NH1 2.89Å; E950-R954 WeakPolarHBondContact O-CB 3.43Å; E950-R954 PolarHBondContact O-N 2.84Å; E950-R954 VanDerWaalsContact OE1-CD 3.28Å; E950-R954 WeakPolarHBondContact OE1-CD 3.33Å; E950-R954 IonicContact OE1-CZ 2.94Å; E950-R954 IonicContact OE1-NE 3.27Å; E950-R954 PolarHBondContact OE1-NE 3.42Å; E950-R954 IonicContact OE2-CZ 2.8Å; E950-R954 IonicContact OE2-NE 3.12Å; E950-R954 PolarHBondContact OE2-NE 3.42Å; E950-R954 IonicContact OE2-NH2 3.73Å; E950-R954 PolarHBondContact OE2-NH2 3.38Å; E951-R954 PolarHBondContact O-N 2.83Å; R954-G956 PolarHBondContact O-N 3.46Å; R954-Q957 VanDerWaalsContact O-CB 3.31Å; R954-Q957 WeakPolarHBondContact O-CB 3.5Å; R954-Q957 WeakPolarHBondContact O-CG 3.38Å; R954-Q957 PolarHBondContact O-N 3.22Å; R954-Q957 VanDerWaalsContact O-N 3.16Å; R954-Q957 PolarHBondContact O-NE2 3Å
955	R	96.4	Very high	96.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-65.9	-23	179.5	82.8	-173.3	-174.7	-175.4	1.9	112.5	Y876 F888 W915 S944 N945 A947 E951 V953 Q957 L958	Y876-R955 HydrophobicContact CE2-CB 3.9Å; Y876-R955 WeakPolarHBondContact OH-CB 3.34Å; F888-R955 HydrophobicContact CE2-CG 3.73Å; F888-R955 VanDerWaalsContact CE2-NE 3.3Å; F888-R955 HydrophobicContact CZ-CG 4.08Å; W915-R955 HydrophobicContact CH2-CB 4.12Å; W915-R955 HydrophobicContact CH2-CG 3.98Å; S944-R955 PolarHBondContact OG-NH1 3.39Å; N945-R955 PolarHBondContact O-NH1 2.72Å; A947-R955 VanDerWaalsContact CB-NH1 3.32Å; E951-R955 VanDerWaalsContact O-CB 3.25Å; E951-R955 WeakPolarHBondContact O-CB 3.43Å; E951-R955 VanDerWaalsContact O-CG 3.25Å; E951-R955 WeakPolarHBondContact O-CG 3.29Å; E951-R955 PolarHBondContact O-N 3.3Å; V953-R955 PolarHBondContact O-N 3.04Å; R955-Q957 PolarHBondContact O-N 3.13Å; R955-Q957 VanDerWaalsContact O-N 3.14Å; R955-L958 WeakPolarHBondContact O-CB 3.46Å; R955-L958 PolarHBondContact O-N 2.95Å
956	G	97.1	Very high	96.6	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.01	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-55.1	-28.4	173.2	0	0	0	0	0	112.5	V953 R954 L958 A959 T982	V953-G956 PolarHBondContact O-N 3.49Å; R954-G956 PolarHBondContact O-N 3.46Å; G956-L958 PolarHBondContact O-N 3.26Å; G956-A959 PolarHBondContact O-N 3.1Å; G956-T982 PolarHBondContact O-OG1 2.91Å
957	Q	97.4	Very high	96.6	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.05	C	C	.	.	G	3₁₀ helix	trans	-59.2	-31.6	176.6	-72.1	175.8	101	0	0	112.7	N773 V776 N778 R954 R955 A959 A980	N773-Q957 WeakPolarHBondContact CB-O 3.43Å; V776-Q957 HydrophobicContact CG2-CB 4.31Å; N778-Q957 PolarHBondContact ND2-NE2 3.06Å; N778-Q957 PolarHBondContact ND2-OE1 3.46Å; N778-Q957 VanDerWaalsContact ND2-OE1 3.12Å; N778-Q957 PolarHBondContact OD1-NE2 3.25Å; R954-Q957 VanDerWaalsContact O-CB 3.31Å; R954-Q957 WeakPolarHBondContact O-CB 3.5Å; R954-Q957 WeakPolarHBondContact O-CG 3.38Å; R954-Q957 PolarHBondContact O-N 3.22Å; R954-Q957 VanDerWaalsContact O-N 3.16Å; R954-Q957 PolarHBondContact O-NE2 3Å; R955-Q957 PolarHBondContact O-N 3.13Å; R955-Q957 VanDerWaalsContact O-N 3.14Å; Q957-A959 VanDerWaalsContact C-N 3.29Å; Q957-A959 PolarHBondContact O-N 3.33Å; Q957-A980 HydrophobicContact CG-CB 4.09Å; Q957-A980 VanDerWaalsContact CG-O 3.23Å; Q957-A980 WeakPolarHBondContact CG-O 3.42Å
958	L	97.6	Very high	96.8	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-73.4	-21.8	-176.1	-58.2	-178.6	0	0	0	113.2	N773 V776 T871 S872 R873 Y876 W915 R955 G956	N773-L958 PolarHBondContact ND2-O 3.17Å; N773-L958 VanDerWaalsContact O-CD2 3.29Å; N773-L958 WeakPolarHBondContact O-CD2 3.3Å; V776-L958 HydrophobicContact CG2-CD2 4.3Å; T871-L958 HydrophobicContact CG2-CD1 3.94Å; T871-L958 HydrophobicContact CG2-CD2 4.21Å; T871-L958 HydrophobicContact CG2-CG 4.15Å; S872-L958 VanDerWaalsContact O-CD1 3.31Å; S872-L958 WeakPolarHBondContact O-CD1 3.4Å; R873-L958 HydrophobicContact CG-CB 4.26Å; R873-L958 HydrophobicContact CG-CD2 4.47Å; R873-L958 PolarHBondContact NE-O 3.03Å; R873-L958 PolarHBondContact NH2-O 3.34Å; Y876-L958 HydrophobicContact CD2-CD1 3.46Å; Y876-L958 VanDerWaalsContact CD2-CD1 3.46Å; Y876-L958 HydrophobicContact CE2-CD1 3.69Å; W915-L958 HydrophobicContact CZ3-CB 4.36Å; R955-L958 WeakPolarHBondContact O-CB 3.46Å; R955-L958 PolarHBondContact O-N 2.95Å; G956-L958 PolarHBondContact O-N 3.26Å
959	A	97.8	Very high	96.9	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.033	C	C	.	.			trans	-76.5	152.2	175.2	0	0	0	0	0	110.9	N773 V884 C886 G956 Q957 T982 R1035	N773-A959 PolarHBondContact ND2-O 2.82Å; N773-A959 VanDerWaalsContact ND2-O 3.11Å; V884-A959 HydrophobicContact CG1-CB 4.27Å; C886-A959 HydrophobicContact CB-CB 3.88Å; C886-A959 WeakPolarHBondContact SG-CB 3.47Å; G956-A959 PolarHBondContact O-N 3.1Å; Q957-A959 VanDerWaalsContact C-N 3.29Å; Q957-A959 PolarHBondContact O-N 3.33Å; A959-T982 HydrophobicContact CB-CG2 4.12Å; A959-R1035 PolarHBondContact O-NH1 3.31Å
960	D	98.1	Very high	96.7	Very high	13 Å²	13	5.4 Å²	5.4	7%	0.07	3%	0.029	C	C	.	.	S	Bend	trans	-89.4	-44.7	175.8	-65.9	-53.6	0	0	0	110.6	N773 R873 V883 V884 P983 L1031 R1035	N773-D960 PolarHBondContact ND2-OD1 2.96Å; R873-D960 IonicContact CZ-OD2 2.8Å; R873-D960 IonicContact NH1-OD2 4Å; R873-D960 IonicContact NH2-OD1 3.74Å; R873-D960 PolarHBondContact NH2-OD1 3.13Å; R873-D960 IonicContact NH2-OD2 2.98Å; R873-D960 PolarHBondContact NH2-OD2 3.39Å; V883-D960 WeakPolarHBondContact CA-OD2 3.48Å; V883-D960 HydrophobicContact CG1-CB 4.08Å; V884-D960 PolarHBondContact N-OD2 3.04Å; V884-D960 PolarHBondContact O-N 3.47Å; D960-P983 WeakPolarHBondContact O-CD 3.49Å; D960-L1031 HydrophobicContact CB-CD2 4.35Å; D960-R1035 PolarHBondContact O-NH1 3.33Å
961	I	98.7	Very high	96.7	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	132.3	-177.5	-57.5	99.8	0	0	0	110.8	V883 V884 Y885 C886 L963 P983 V985 L1024 L1031	V883-I961 HydrophobicContact CG1-CD1 3.69Å; V884-I961 PolarHBondContact O-N 2.84Å; Y885-I961 CarbonylContact C-O 3.55Å; Y885-I961 VanDerWaalsContact CA-O 3.29Å; Y885-I961 WeakPolarHBondContact CA-O 3.43Å; Y885-I961 HydrophobicContact CD1-CB 3.75Å; Y885-I961 HydrophobicContact CD1-CD1 4.21Å; Y885-I961 HydrophobicContact CD1-CG1 4.47Å; Y885-I961 HydrophobicContact CD1-CG2 4.08Å; Y885-I961 HydrophobicContact CE1-CB 3.95Å; Y885-I961 HydrophobicContact CE1-CD1 3.78Å; Y885-I961 HydrophobicContact CE1-CG1 4.2Å; Y885-I961 HydrophobicContact CE1-CG2 4.21Å; C886-I961 PolarHBondContact N-O 3.02Å; I961-L963 HydrophobicContact CG2-CD2 4.14Å; I961-P983 CarbonylContact C-O 3.58Å; I961-P983 WeakPolarHBondContact CA-O 3.2Å; I961-V985 HydrophobicContact CG2-CG2 3.94Å; I961-L1024 HydrophobicContact CD1-CB 3.96Å; I961-L1024 HydrophobicContact CG1-CB 3.71Å; I961-L1024 HydrophobicContact CG1-CD1 4.12Å; I961-L1024 HydrophobicContact CG1-CG 4.46Å; I961-L1024 HydrophobicContact CG2-CD1 4.15Å; I961-L1031 HydrophobicContact CD1-CD1 4.01Å; I961-L1031 HydrophobicContact CG1-CD1 4.05Å
962	G	98.6	Very high	96.8	Very high	3 Å²	3	6.3 Å²	6.3	3%	0.031	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	126.9	164.7	0	0	0	0	0	111.5	C886 P983 M984 V985	C886-G962 CarbonylContact O-C 3.54Å; C886-G962 WeakPolarHBondContact O-CA 3.44Å; G962-P983 PolarHBondContact N-O 3.39Å; G962-M984 CarbonylContact O-C 3.56Å; G962-M984 VanDerWaalsContact O-CA 3.29Å; G962-M984 WeakPolarHBondContact O-CA 3.47Å; G962-V985 PolarHBondContact O-N 3.33Å
963	L	98.8	Very high	96.8	Very high	3 Å²	3	6.3 Å²	6.3	2%	0.016	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	106.1	174	-64.7	-175.4	0	0	0	109.1	Y885 C886 N887 W902 I905 L914 I961 Y1017 A1021	Y885-L963 HydrophobicContact CD1-CD1 3.86Å; Y885-L963 HydrophobicContact CD1-CD2 3.77Å; Y885-L963 HydrophobicContact CD1-CG 3.8Å; Y885-L963 HydrophobicContact CE1-CD2 4.26Å; Y885-L963 HydrophobicContact CG-CD1 3.97Å; Y885-L963 HydrophobicContact CG-CG 4.29Å; C886-L963 PolarHBondContact O-N 3.11Å; N887-L963 WeakPolarHBondContact CB-O 3.49Å; N887-L963 PolarHBondContact ND2-O 3.22Å; W902-L963 HydrophobicContact CB-CD1 4.44Å; W902-L963 HydrophobicContact CG-CD1 4Å; W902-L963 HydrophobicContact CZ2-CB 4.38Å; I905-L963 HydrophobicContact CD1-CD1 4.05Å; I905-L963 HydrophobicContact CD1-CD2 4.1Å; L914-L963 HydrophobicContact CD1-CD1 4.16Å; I961-L963 HydrophobicContact CG2-CD2 4.14Å; L963-Y1017 VanDerWaalsContact C-OH 3.22Å; L963-Y1017 WeakPolarHBondContact CA-OH 3.47Å; L963-Y1017 WeakPolarHBondContact CB-OH 3.4Å; L963-Y1017 HydrophobicContact CD2-CE1 4.36Å; L963-A1021 HydrophobicContact CD2-CB 3.81Å
964	D	98.4	Very high	96.8	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.011	4%	0.036	C	C	.	.			trans	-76	156.1	-176.9	-166.7	20.9	0	0	0	113.3	N969 G970 M984 V985 T986 A997 Y1017	D964-N969 WeakPolarHBondContact OD1-CA 3.44Å; D964-N969 WeakPolarHBondContact OD2-CA 3.3Å; D964-N969 WeakPolarHBondContact OD2-CB 3.47Å; D964-N969 PolarHBondContact OD2-ND2 2.89Å; D964-G970 WeakPolarHBondContact OD1-CA 3.46Å; D964-G970 PolarHBondContact OD1-N 2.94Å; D964-M984 HydrophobicContact CB-CG 4.09Å; D964-M984 HydrophobicContact CB-SD 4.14Å; D964-V985 WeakPolarHBondContact CB-O 3.47Å; D964-V985 PolarHBondContact N-O 3.08Å; D964-T986 WeakPolarHBondContact OD2-CB 3.36Å; D964-T986 PolarHBondContact OD2-OG1 2.94Å; D964-A997 WeakPolarHBondContact OD2-CB 3.28Å; D964-Y1017 PolarHBondContact N-OH 3.48Å; D964-Y1017 VanDerWaalsContact N-OH 3.07Å; D964-Y1017 PolarHBondContact O-OH 3.22Å
965	S	96.8	Very high	96.8	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.036	C	C	.	.			trans	-90.3	119.2	175.2	40.7	0	0	0	0	111.6	K893 C968 N969	K893-S965 WeakPolarHBondContact O-CB 3.17Å; S965-C968 CarbonylContact O-C 3.57Å; S965-C968 PolarHBondContact OG-O 3.45Å; S965-N969 VanDerWaalsContact O-CA 3.27Å; S965-N969 WeakPolarHBondContact O-CA 3.44Å; S965-N969 PolarHBondContact O-N 2.98Å; S965-N969 PolarHBondContact O-ND2 3.2Å
966	P	96.9	Very high	96.9	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.006	4%	0.037	C	C	.	.	S	Bend	trans	-63.6	-42.1	-174.7	-25.2	33.6	0	0	0	115.9	T898 M901 C968 N969 L987 L989 S994	T898-P966 WeakPolarHBondContact OG1-CD 3.3Å; M901-P966 HydrophobicContact CE-CG 3.78Å; P966-C968 VanDerWaalsContact C-N 3.32Å; P966-C968 PolarHBondContact O-N 2.99Å; P966-N969 PolarHBondContact O-ND2 3.34Å; P966-L987 HydrophobicContact CB-CB 4.23Å; P966-L987 HydrophobicContact CB-CD2 4.25Å; P966-L987 HydrophobicContact CB-CG 4.42Å; P966-L987 HydrophobicContact CG-CB 4.13Å; P966-L987 HydrophobicContact CG-CD2 4.14Å; P966-L989 HydrophobicContact CB-CD1 3.81Å; P966-L989 HydrophobicContact CB-CG 4.14Å; P966-S994 WeakPolarHBondContact O-CA 3.27Å; P966-S994 WeakPolarHBondContact O-CB 3.34Å
967	L	93.5	Very high	96.9	Very high	36 Å²	36	6.7 Å²	6.7	19%	0.188	4%	0.037	C	C	.	.	S	Bend	trans	-64	-38.5	-175.9	-70.1	178.7	0	0	0	112.7	D895 L989	D895-L967 HydrophobicContact CB-CD1 3.69Å; L967-L989 HydrophobicContact CD2-CD1 4.17Å
968	C	95.5	Very high	96.9	Very high	4 Å²	4	6.7 Å²	6.7	3%	0.027	4%	0.037	C	C	.	.	S	Bend	trans	-144.1	109.4	174.4	179.8	0	0	0	0	107	M551 L552 K893 S965 P966	M551-C968 HydrophobicContact SD-CB 4.29Å; L552-C968 HydrophobicContact CD2-CB 4.37Å; K893-C968 HydrophobicContact CD-CB 3.99Å; K893-C968 WeakPolarHBondContact CD-O 3.46Å; K893-C968 HydrophobicContact CG-CB 4.31Å; S965-C968 CarbonylContact O-C 3.57Å; S965-C968 PolarHBondContact OG-O 3.45Å; P966-C968 VanDerWaalsContact C-N 3.32Å; P966-C968 PolarHBondContact O-N 2.99Å
969	N	96.4	Very high	96.9	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.037	C	C	.	.			trans	-65.4	171.7	-175.8	-67.8	169.7	0	0	0	112.7	K893 D964 S965 P966 H971 A993 S994 R995 V996 A997	K893-N969 PolarHBondContact NZ-O 3.34Å; D964-N969 WeakPolarHBondContact OD1-CA 3.44Å; D964-N969 WeakPolarHBondContact OD2-CA 3.3Å; D964-N969 WeakPolarHBondContact OD2-CB 3.47Å; D964-N969 PolarHBondContact OD2-ND2 2.89Å; S965-N969 VanDerWaalsContact O-CA 3.27Å; S965-N969 WeakPolarHBondContact O-CA 3.44Å; S965-N969 PolarHBondContact O-N 2.98Å; S965-N969 PolarHBondContact O-ND2 3.2Å; P966-N969 PolarHBondContact O-ND2 3.34Å; N969-H971 PolarHBondContact O-CD2 3.43Å; N969-H971 PolarHBondContact O-N 3.19Å; N969-H971 VanDerWaalsContact O-N 3.12Å; N969-A993 PolarHBondContact N-O 2.96Å; N969-S994 VanDerWaalsContact CG-C 3.46Å; N969-S994 VanDerWaalsContact CG-O 3.28Å; N969-S994 PolarHBondContact ND2-O 3.17Å; N969-S994 VanDerWaalsContact ND2-O 3.13Å; N969-S994 PolarHBondContact OD1-O 3.46Å; N969-R995 PolarHBondContact OD1-N 3.23Å; N969-V996 PolarHBondContact OD1-N 2.99Å; N969-A997 HydrophobicContact CB-CB 3.71Å; N969-A997 PolarHBondContact OD1-N 3.4Å; N969-A997 VanDerWaalsContact OD1-N 3.17Å
970	G	91.4	Very high	96.9	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.01	4%	0.037	C	C	.	.			trans	-68.8	97.6	164.6	0	0	0	0	0	108.7	D964 G974 Q1000	D964-G970 WeakPolarHBondContact OD1-CA 3.46Å; D964-G970 PolarHBondContact OD1-N 2.94Å; G970-G974 WeakPolarHBondContact O-CA 3.43Å; G970-G974 PolarHBondContact O-N 3.26Å; G970-Q1000 PolarHBondContact O-NE2 3.5Å; G970-Q1000 PolarHBondContact O-OE1 3.35Å
971	H	95.8	Very high	96.8	Very high	23 Å²	23	6 Å²	6	11%	0.106	3%	0.034	C	C	.	.	S	Bend	trans	-79.1	-94.3	176.4	-61.4	175.5	0	0	0	108	F743 N969 T973 G974 M975 A993 V996 Q1000	F743-H971 HydrophobicContact CE1-CB 4.19Å; F743-H971 HydrophobicContact CE2-CB 4.09Å; F743-H971 HydrophobicContact CZ-CB 3.56Å; N969-H971 PolarHBondContact O-CD2 3.43Å; N969-H971 PolarHBondContact O-N 3.19Å; N969-H971 VanDerWaalsContact O-N 3.12Å; H971-T973 VanDerWaalsContact C-N 3.32Å; H971-T973 PolarHBondContact O-N 3.26Å; H971-G974 PolarHBondContact O-N 3.16Å; H971-G974 VanDerWaalsContact O-N 3.1Å; H971-M975 PolarHBondContact O-N 2.95Å; H971-M975 VanDerWaalsContact O-N 3.16Å; H971-A993 PolarHBondContact NE2-O 3.01Å; H971-V996 HydrophobicContact CB-CG1 4.39Å; H971-V996 WeakPolarHBondContact CD2-CB 3.48Å; H971-V996 VanDerWaalsContact NE2-CG2 3.34Å; H971-V996 WeakPolarHBondContact NE2-CG2 3.33Å; H971-Q1000 PolarHBondContact O-NE2 3.09Å
972	T	96.6	Very high	96.8	Very high	20 Å²	20	6 Å²	6	12%	0.123	3%	0.034	C	C	.	.	H	α-helix	trans	-60.1	-40.7	173.5	-46.1	0	0	0	0	112.5	P608 L612 G974 M975 D976	P608-T972 HydrophobicContact CB-CG2 4.06Å; P608-T972 WeakPolarHBondContact CB-OG1 3.34Å; L612-T972 HydrophobicContact CD1-CG2 4.46Å; L612-T972 WeakPolarHBondContact CD1-OG1 3.15Å; L612-T972 HydrophobicContact CD2-CG2 4.2Å; L612-T972 HydrophobicContact CG-CG2 4.18Å; T972-G974 VanDerWaalsContact C-N 3.25Å; T972-G974 PolarHBondContact O-N 2.9Å; T972-M975 WeakPolarHBondContact O-CB 3.39Å; T972-M975 PolarHBondContact O-N 3.47Å; T972-M975 VanDerWaalsContact O-N 3.15Å; T972-D976 PolarHBondContact O-N 3.46Å
973	T	96.2	Very high	96.8	Very high	24 Å²	24	5.9 Å²	5.9	15%	0.147	3%	0.033	C	C	.	.	H	α-helix	trans	-63.3	-32.1	176.3	-54.2	0	0	0	0	112.3	F888 H971 D976 M977	F888-T973 HydrophobicContact CB-CG2 3.95Å; H971-T973 VanDerWaalsContact C-N 3.32Å; H971-T973 PolarHBondContact O-N 3.26Å; T973-D976 PolarHBondContact O-N 3.4Å; T973-M977 VanDerWaalsContact O-CG 3.29Å; T973-M977 WeakPolarHBondContact O-CG 3.29Å; T973-M977 PolarHBondContact O-N 2.8Å
974	G	97.1	Very high	96.7	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-64.7	-46.7	172.9	0	0	0	0	0	111	G970 H971 T972 D976 M977 L978	G970-G974 WeakPolarHBondContact O-CA 3.43Å; G970-G974 PolarHBondContact O-N 3.26Å; H971-G974 PolarHBondContact O-N 3.16Å; H971-G974 VanDerWaalsContact O-N 3.1Å; T972-G974 VanDerWaalsContact C-N 3.25Å; T972-G974 PolarHBondContact O-N 2.9Å; G974-D976 VanDerWaalsContact C-N 3.31Å; G974-D976 PolarHBondContact O-N 3.15Å; G974-M977 PolarHBondContact O-N 3.4Å; G974-L978 WeakPolarHBondContact O-CB 3.31Å; G974-L978 VanDerWaalsContact O-CG 3.29Å; G974-L978 WeakPolarHBondContact O-CG 3.27Å; G974-L978 PolarHBondContact O-N 2.93Å
975	M	97.9	Very high	96.8	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-59.6	-40.5	174.3	-60.7	-62.9	-81.4	0	0	112.4	L612 F743 G745 H971 T972 L978 W979 Q1000 L1047 F1048	L612-M975 HydrophobicContact CD2-CB 4.13Å; L612-M975 HydrophobicContact CD2-CG 3.84Å; F743-M975 HydrophobicContact CD1-CG 3.87Å; F743-M975 HydrophobicContact CD1-SD 4.25Å; F743-M975 HydrophobicContact CE1-CG 3.79Å; G745-M975 VanDerWaalsContact CA-CE 3.44Å; H971-M975 PolarHBondContact O-N 2.95Å; H971-M975 VanDerWaalsContact O-N 3.16Å; T972-M975 WeakPolarHBondContact O-CB 3.39Å; T972-M975 PolarHBondContact O-N 3.47Å; T972-M975 VanDerWaalsContact O-N 3.15Å; M975-L978 PolarHBondContact O-N 3.05Å; M975-W979 VanDerWaalsContact O-CB 3.29Å; M975-W979 WeakPolarHBondContact O-CB 3.29Å; M975-W979 PolarHBondContact O-N 3.2Å; M975-Q1000 HydrophobicContact SD-CB 4.28Å; M975-Q1000 HydrophobicContact SD-CG 3.63Å; M975-L1047 HydrophobicContact CE-CD1 3.63Å; M975-L1047 HydrophobicContact CE-CD2 4.36Å; M975-L1047 HydrophobicContact CE-CG 3.74Å; M975-L1047 HydrophobicContact SD-CD1 3.78Å; M975-L1047 HydrophobicContact SD-CD2 4.12Å; M975-L1047 HydrophobicContact SD-CG 4.07Å; M975-F1048 HydrophobicContact CB-CE1 4.34Å; M975-F1048 HydrophobicContact CE-CD1 4.01Å; M975-F1048 HydrophobicContact CE-CE1 3.59Å; M975-F1048 HydrophobicContact CE-CZ 4.09Å; M975-F1048 HydrophobicContact SD-CE1 4.43Å; M975-F1048 HydrophobicContact SD-CZ 4.48Å
976	D	98	Very high	96.9	Very high	4 Å²	4	6 Å²	6	2%	0.021	3%	0.033	C	C	.	.	H	α-helix	trans	-60.9	-45	176	-64.5	-18.9	0	0	0	111.6	H747 K949 H952 V953 T972 T973 G974 A980	H747-D976 IonicContact CD2-OD1 3.96Å; H747-D976 IonicContact CE1-OD1 3.68Å; H747-D976 IonicContact NE2-OD1 3.35Å; H747-D976 PolarHBondContact NE2-OD1 3.14Å; K949-D976 WeakPolarHBondContact CE-OD1 3.44Å; K949-D976 IonicContact NZ-OD1 3.62Å; K949-D976 PolarHBondContact NZ-OD1 3.08Å; K949-D976 IonicContact NZ-OD2 3.51Å; K949-D976 PolarHBondContact NZ-OD2 2.82Å; H952-D976 IonicContact CD2-OD2 2.66Å; H952-D976 PolarHBondContact CD2-OD2 3.01Å; H952-D976 IonicContact NE2-OD2 2.77Å; H952-D976 PolarHBondContact NE2-OD2 3.35Å; V953-D976 HydrophobicContact CG2-CB 3.87Å; T972-D976 PolarHBondContact O-N 3.46Å; T973-D976 PolarHBondContact O-N 3.4Å; G974-D976 VanDerWaalsContact C-N 3.31Å; G974-D976 PolarHBondContact O-N 3.15Å; D976-A980 WeakPolarHBondContact O-CB 3.41Å; D976-A980 PolarHBondContact O-N 3.04Å
977	M	97	Very high	96.9	Very high	6 Å²	6	6.1 Å²	6.1	3%	0.03	3%	0.034	C	C	.	.	H	α-helix	trans	-67	-45	177.9	-70.4	-65	-177.9	0	0	112.4	C886 F888 T973 G974 W979 A980 G981 T982	C886-M977 WeakPolarHBondContact SG-CE 3.23Å; F888-M977 HydrophobicContact CB-CE 4.02Å; F888-M977 HydrophobicContact CD1-CE 4.39Å; F888-M977 HydrophobicContact CD2-CE 3.06Å; F888-M977 HydrophobicContact CD2-SD 4.39Å; F888-M977 HydrophobicContact CE2-CE 3.43Å; F888-M977 VanDerWaalsContact CE2-CE 3.43Å; F888-M977 HydrophobicContact CE2-SD 4.43Å; F888-M977 HydrophobicContact CG-CE 3.57Å; F888-M977 HydrophobicContact CZ-CE 4.24Å; T973-M977 VanDerWaalsContact O-CG 3.29Å; T973-M977 WeakPolarHBondContact O-CG 3.29Å; T973-M977 PolarHBondContact O-N 2.8Å; G974-M977 PolarHBondContact O-N 3.4Å; M977-W979 VanDerWaalsContact C-N 3.33Å; M977-W979 PolarHBondContact O-N 3.1Å; M977-A980 CarbonylContact O-C 3.58Å; M977-A980 WeakPolarHBondContact O-CB 3.48Å; M977-A980 PolarHBondContact O-N 3.34Å; M977-A980 VanDerWaalsContact O-N 3.15Å; M977-G981 PolarHBondContact O-N 3.27Å; M977-T982 PolarHBondContact O-N 2.89Å
978	L	98.1	Very high	97.1	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-65	-39.9	178.5	-65.9	178.3	0	0	0	110.4	G974 M975 A980 G981 M984 Q1000 L1001 L1004 V1038 R1042 L1047 F1048	G974-L978 WeakPolarHBondContact O-CB 3.31Å; G974-L978 VanDerWaalsContact O-CG 3.29Å; G974-L978 WeakPolarHBondContact O-CG 3.27Å; G974-L978 PolarHBondContact O-N 2.93Å; M975-L978 PolarHBondContact O-N 3.05Å; L978-A980 VanDerWaalsContact C-N 3.33Å; L978-A980 PolarHBondContact O-N 3.48Å; L978-G981 WeakPolarHBondContact O-CA 3.21Å; L978-G981 PolarHBondContact O-N 3.25Å; L978-M984 HydrophobicContact CD1-CE 4.42Å; L978-M984 HydrophobicContact CD2-CB 4.29Å; L978-Q1000 HydrophobicContact CD1-CB 3.89Å; L978-L1001 HydrophobicContact CD1-CD2 4.49Å; L978-L1001 HydrophobicContact CD2-CD2 4.01Å; L978-L1004 HydrophobicContact CB-CD2 4.42Å; L978-L1004 HydrophobicContact CD1-CD2 4.23Å; L978-L1004 HydrophobicContact CD2-CD2 3.79Å; L978-L1004 HydrophobicContact CG-CD2 4.35Å; L978-V1038 HydrophobicContact CD2-CG1 4.32Å; L978-R1042 WeakPolarHBondContact O-CD 3.49Å; L978-R1042 WeakPolarHBondContact O-CG 3.47Å; L978-L1047 HydrophobicContact CD1-CD2 3.95Å; L978-F1048 HydrophobicContact CB-CZ 4.23Å
979	W	98.1	Very high	97.1	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-67	-31.8	172.8	-173.2	-104.7	0	0	0	112.7	H747 M748 M975 M977 G981 R1042 T1043 F1048	H747-W979 HydrophobicContact CB-CB 3.91Å; H747-W979 HydrophobicContact CB-CD2 3.47Å; H747-W979 VanDerWaalsContact CB-CD2 3.47Å; H747-W979 HydrophobicContact CB-CE3 3.9Å; H747-W979 HydrophobicContact CB-CG 3.43Å; H747-W979 VanDerWaalsContact CB-CG 3.43Å; H747-W979 AromaticContact CD2-CG 3.9Å; H747-W979 AromaticContact CG-CG 3.97Å; M748-W979 VanDerWaalsContact CA-CH2 3.43Å; M748-W979 HydrophobicContact CB-CH2 3.62Å; M748-W979 HydrophobicContact CB-CZ2 4.32Å; M748-W979 HydrophobicContact CB-CZ3 4.02Å; M748-W979 HydrophobicContact CG-CH2 3.97Å; M975-W979 VanDerWaalsContact O-CB 3.29Å; M975-W979 WeakPolarHBondContact O-CB 3.29Å; M975-W979 PolarHBondContact O-N 3.2Å; M977-W979 VanDerWaalsContact C-N 3.33Å; M977-W979 PolarHBondContact O-N 3.1Å; W979-G981 PolarHBondContact O-N 3.43Å; W979-R1042 HydrophobicContact CE3-CB 4.02Å; W979-R1042 HydrophobicContact CE3-CG 4.37Å; W979-R1042 HydrophobicContact CZ3-CB 3.98Å; W979-R1042 WeakPolarHBondContact O-CD 3.4Å; W979-R1042 PolarHBondContact O-NH1 3.15Å; W979-T1043 HydrophobicContact CH2-CG2 4.34Å; W979-F1048 HydrophobicContact CB-CE1 4.01Å; W979-F1048 HydrophobicContact CB-CZ 3.86Å; W979-F1048 HydrophobicContact CE3-CB 4.31Å; W979-F1048 AromaticContact CE3-CD1 3.91Å; W979-F1048 HydrophobicContact CE3-CD1 3.91Å; W979-F1048 AromaticContact CE3-CD2 3.75Å; W979-F1048 HydrophobicContact CE3-CD2 3.75Å; W979-F1048 HydrophobicContact CE3-CE1 4.09Å; W979-F1048 AromaticContact CE3-CE2 3.95Å; W979-F1048 HydrophobicContact CE3-CE2 3.95Å; W979-F1048 AromaticContact CE3-CG 3.73Å; W979-F1048 HydrophobicContact CE3-CG 3.73Å; W979-F1048 HydrophobicContact CE3-CZ 4.12Å; W979-F1048 HydrophobicContact CZ3-CB 4.08Å; W979-F1048 HydrophobicContact CZ3-CD2 4.11Å; W979-F1048 AromaticContact CZ3-CG 3.99Å; W979-F1048 HydrophobicContact CZ3-CG 3.99Å
980	A	97.2	Very high	96.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-9.4	169.8	0	0	0	0	0	112.9	V953 Q957 D976 M977 L978	V953-A980 WeakPolarHBondContact O-CB 3.13Å; Q957-A980 HydrophobicContact CG-CB 4.09Å; Q957-A980 VanDerWaalsContact CG-O 3.23Å; Q957-A980 WeakPolarHBondContact CG-O 3.42Å; D976-A980 WeakPolarHBondContact O-CB 3.41Å; D976-A980 PolarHBondContact O-N 3.04Å; M977-A980 CarbonylContact O-C 3.58Å; M977-A980 WeakPolarHBondContact O-CB 3.48Å; M977-A980 PolarHBondContact O-N 3.34Å; M977-A980 VanDerWaalsContact O-N 3.15Å; L978-A980 VanDerWaalsContact C-N 3.33Å; L978-A980 PolarHBondContact O-N 3.48Å
981	G	96.7	Very high	97.1	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	20.5	-178.1	0	0	0	0	0	113.6	M977 L978 W979	M977-G981 PolarHBondContact O-N 3.27Å; L978-G981 WeakPolarHBondContact O-CA 3.21Å; L978-G981 PolarHBondContact O-N 3.25Å; W979-G981 PolarHBondContact O-N 3.43Å
982	T	97.6	Very high	97.1	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.066	C	C	.	.			trans	-97	121.3	-179.6	-66.1	0	0	0	0	109.5	G956 A959 M977	G956-T982 PolarHBondContact O-OG1 2.91Å; A959-T982 HydrophobicContact CB-CG2 4.12Å; M977-T982 PolarHBondContact O-N 2.89Å
983	P	98.3	Very high	97.1	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.061	C	C	.	.			trans	-57.4	140.3	174.7	-23.4	33.4	0	0	0	111.4	D960 I961 G962 L1009 I1034 R1035 V1038	D960-P983 WeakPolarHBondContact O-CD 3.49Å; I961-P983 CarbonylContact C-O 3.58Å; I961-P983 WeakPolarHBondContact CA-O 3.2Å; G962-P983 PolarHBondContact N-O 3.39Å; P983-L1009 HydrophobicContact CB-CD1 3.98Å; P983-I1034 HydrophobicContact CB-CG2 3.71Å; P983-I1034 HydrophobicContact CG-CG2 3.68Å; P983-R1035 HydrophobicContact CG-CB 4.46Å; P983-R1035 HydrophobicContact CG-CG 3.68Å; P983-V1038 HydrophobicContact CB-CG2 4.26Å; P983-V1038 HydrophobicContact CG-CG2 4.14Å
984	M	98.3	Very high	97.1	Very high	6 Å²	6	10.3 Å²	10.3	3%	0.03	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	129.1	179.1	179	178.9	62.7	0	0	110	G962 D964 L978 A997 L1001 L1009	G962-M984 CarbonylContact O-C 3.56Å; G962-M984 VanDerWaalsContact O-CA 3.29Å; G962-M984 WeakPolarHBondContact O-CA 3.47Å; D964-M984 HydrophobicContact CB-CG 4.09Å; D964-M984 HydrophobicContact CB-SD 4.14Å; L978-M984 HydrophobicContact CD1-CE 4.42Å; L978-M984 HydrophobicContact CD2-CB 4.29Å; M984-A997 HydrophobicContact CE-CB 3.64Å; M984-L1001 WeakPolarHBondContact O-CD1 3.31Å; M984-L1009 WeakPolarHBondContact O-CB 3.47Å
985	V	98.8	Very high	97.2	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	128.4	174.2	-173.3	0	0	0	0	108.8	I961 G962 D964 L1009 Y1017 I1020 A1021 L1024	I961-V985 HydrophobicContact CG2-CG2 3.94Å; G962-V985 PolarHBondContact O-N 3.33Å; D964-V985 WeakPolarHBondContact CB-O 3.47Å; D964-V985 PolarHBondContact N-O 3.08Å; V985-L1009 WeakPolarHBondContact CA-O 3.3Å; V985-Y1017 HydrophobicContact CB-CE2 4.26Å; V985-Y1017 HydrophobicContact CG1-CD2 3.69Å; V985-Y1017 HydrophobicContact CG1-CE2 3.89Å; V985-Y1017 HydrophobicContact CG1-CG 4.15Å; V985-Y1017 WeakPolarHBondContact O-CE2 3.45Å; V985-I1020 HydrophobicContact CG1-CB 4.17Å; V985-I1020 HydrophobicContact CG1-CG2 3.92Å; V985-I1020 HydrophobicContact CG2-CG2 3.76Å; V985-A1021 HydrophobicContact CG2-CB 4.5Å; V985-L1024 HydrophobicContact CG2-CD1 3.7Å
986	T	98.7	Very high	97.2	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.064	C	C	.	.	B	Isolated β-bridge	trans	-127.7	158	178.4	-166.1	0	0	0	0	112.3	D964 A997 L1001 L1009 V1010 A1011	D964-T986 WeakPolarHBondContact OD2-CB 3.36Å; D964-T986 PolarHBondContact OD2-OG1 2.94Å; T986-A997 HydrophobicContact CG2-CB 4.02Å; T986-A997 WeakPolarHBondContact OG1-CB 3.3Å; T986-L1001 HydrophobicContact CG2-CD1 3.53Å; T986-L1009 PolarHBondContact N-O 2.87Å; T986-L1009 VanDerWaalsContact N-O 3.09Å; T986-V1010 HydrophobicContact CG2-CG1 4.36Å; T986-V1010 HydrophobicContact CG2-CG2 4.21Å; T986-A1011 VanDerWaalsContact O-CB 3.31Å; T986-A1011 WeakPolarHBondContact O-CB 3.44Å; T986-A1011 PolarHBondContact O-N 3.16Å
987	L	98.5	Very high	97.2	Very high	5 Å²	5	12.8 Å²	12.8	3%	0.026	6%	0.063	C	C	.	.			trans	-127.4	101.1	176.3	174.8	59.6	0	0	0	109.1	P966 L989 A1011 R1014 Y1017	P966-L987 HydrophobicContact CB-CB 4.23Å; P966-L987 HydrophobicContact CB-CD2 4.25Å; P966-L987 HydrophobicContact CB-CG 4.42Å; P966-L987 HydrophobicContact CG-CB 4.13Å; P966-L987 HydrophobicContact CG-CD2 4.14Å; L987-L989 HydrophobicContact CD2-CD2 4.16Å; L987-L989 HydrophobicContact CG-CD2 3.97Å; L987-L989 PolarHBondContact O-N 3.46Å; L987-A1011 HydrophobicContact CB-CB 4.45Å; L987-A1011 HydrophobicContact CD1-CB 4.17Å; L987-A1011 WeakPolarHBondContact CD1-O 3.48Å; L987-R1014 HydrophobicContact CD2-CG 3.88Å; L987-Y1017 HydrophobicContact CB-CD2 3.81Å; L987-Y1017 HydrophobicContact CB-CE2 4.46Å
988	P	97.1	Very high	97.2	Very high	32 Å²	32	12.7 Å²	12.7	21%	0.208	6%	0.063	C	C	.	.			trans	-64.9	128	172.9	25.8	-34.5	0	0	0	111.9	S994 R995 V1010 A1011	P988-S994 VanDerWaalsContact CA-O 3.28Å; P988-S994 WeakPolarHBondContact CA-O 3.38Å; P988-R995 HydrophobicContact CB-CG 3.87Å; P988-V1010 HydrophobicContact CG-CG1 3.66Å; P988-A1011 WeakPolarHBondContact CD-O 3.44Å
989	L	95.6	Very high	97.2	Very high	56 Å²	56	12.7 Å²	12.7	29%	0.293	6%	0.063	S	C	.	.			trans	-106.3	-142	172.4	-55.9	-179.3	0	0	0	110.1	P966 L967 L987 S994 R995	P966-L989 HydrophobicContact CB-CD1 3.81Å; P966-L989 HydrophobicContact CB-CG 4.14Å; L967-L989 HydrophobicContact CD2-CD1 4.17Å; L987-L989 HydrophobicContact CD2-CD2 4.16Å; L987-L989 HydrophobicContact CG-CD2 3.97Å; L987-L989 PolarHBondContact O-N 3.46Å; L989-S994 VanDerWaalsContact C-OG 3.3Å; L989-S994 WeakPolarHBondContact CA-OG 3.37Å; L989-S994 WeakPolarHBondContact CB-OG 3.4Å; L989-S994 PolarHBondContact N-OG 3.19Å; L989-R995 PolarHBondContact O-NE 3.48Å; L989-R995 PolarHBondContact O-NH2 2.87Å
990	E	92.1	Very high	97.2	Very high	84 Å²	84	12.7 Å²	12.7	39%	0.393	6%	0.063	S	C	.	.	S	Bend	trans	-91.3	-23.8	-175.4	65.4	-179.5	-155.3	0	0	113.7	H557 R560 L727 S994	H557-E990 PolarHBondContact CE1-O 3.45Å; R560-E990 IonicContact CZ-OE1 2.64Å; R560-E990 IonicContact NH1-OE1 3.16Å; R560-E990 PolarHBondContact NH1-OE1 3.26Å; R560-E990 IonicContact NH2-OE1 2.72Å; R560-E990 PolarHBondContact NH2-OE1 2.87Å; L727-E990 WeakPolarHBondContact CD1-O 3.43Å; E990-S994 PolarHBondContact N-OG 3.28Å
991	T	95.5	Very high	97.2	Very high	14 Å²	14	12.7 Å²	12.7	9%	0.086	6%	0.063	C	C	.	.	S	Bend	trans	-92	154.9	-170.3	72	0	0	0	0	112.3	R560 A993 S994 R995	R560-T991 VanDerWaalsContact CZ-CG2 3.45Å; T991-A993 VanDerWaalsContact C-N 3.28Å; T991-A993 PolarHBondContact O-N 3.21Å; T991-S994 PolarHBondContact N-OG 3.27Å; T991-S994 PolarHBondContact O-N 2.95Å; T991-S994 VanDerWaalsContact O-N 3.09Å; T991-S994 PolarHBondContact O-OG 3.43Å; T991-S994 VanDerWaalsContact OG1-CB 3.29Å; T991-S994 WeakPolarHBondContact OG1-CB 3.24Å; T991-S994 PolarHBondContact OG1-N 3.19Å; T991-S994 PolarHBondContact OG1-OG 3.4Å; T991-R995 WeakPolarHBondContact O-CG 3.41Å; T991-R995 PolarHBondContact O-N 3.02Å
992	F	96.1	Very high	97.2	Very high	8 Å²	8	15.1 Å²	15.1	4%	0.035	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-50	-50.2	169.4	-168.6	-70.4	0	0	0	111.3	P705 I716 T718 T722 S723 Y731 F742 S994 R995 V996	P705-F992 VanDerWaalsContact CA-CD1 3.42Å; P705-F992 HydrophobicContact CB-CD1 3.58Å; P705-F992 HydrophobicContact CB-CE1 3.93Å; I716-F992 HydrophobicContact CD1-CD2 4.29Å; I716-F992 HydrophobicContact CD1-CE2 3.85Å; I716-F992 HydrophobicContact CD1-CZ 4.47Å; I716-F992 HydrophobicContact CG1-CE2 4.36Å; T718-F992 VanDerWaalsContact OG1-CE2 3.27Å; T718-F992 WeakPolarHBondContact OG1-CE2 3.33Å; T722-F992 HydrophobicContact CG2-CB 4.5Å; T722-F992 HydrophobicContact CG2-CD1 3.67Å; T722-F992 HydrophobicContact CG2-CD2 3.75Å; T722-F992 HydrophobicContact CG2-CE1 3.73Å; T722-F992 HydrophobicContact CG2-CE2 3.81Å; T722-F992 HydrophobicContact CG2-CG 3.69Å; T722-F992 HydrophobicContact CG2-CZ 3.79Å; S723-F992 VanDerWaalsContact OG-CD2 3.29Å; S723-F992 WeakPolarHBondContact OG-CD2 3.47Å; Y731-F992 HydrophobicContact CE1-CB 4.3Å; Y731-F992 AromaticContact CE1-CD2 3.76Å; Y731-F992 HydrophobicContact CE1-CD2 3.76Å; Y731-F992 HydrophobicContact CE1-CG 4.49Å; Y731-F992 AromaticContact CZ-CD2 3.99Å; Y731-F992 WeakPolarHBondContact OH-CB 3.34Å; Y731-F992 WeakPolarHBondContact OH-CD2 3.42Å; F742-F992 HydrophobicContact CD1-CZ 4.27Å; F742-F992 HydrophobicContact CD2-CZ 4.07Å; F742-F992 AromaticContact CE1-CE1 3.84Å; F742-F992 HydrophobicContact CE1-CE1 3.84Å; F742-F992 AromaticContact CE1-CZ 3.82Å; F742-F992 HydrophobicContact CE1-CZ 3.82Å; F742-F992 AromaticContact CE2-CE1 3.63Å; F742-F992 HydrophobicContact CE2-CE1 3.63Å; F742-F992 AromaticContact CE2-CZ 3.54Å; F742-F992 HydrophobicContact CE2-CZ 3.54Å; F742-F992 HydrophobicContact CG-CZ 4.44Å; F742-F992 HydrophobicContact CZ-CD1 4.37Å; F742-F992 AromaticContact CZ-CE1 3.22Å; F742-F992 HydrophobicContact CZ-CE1 3.22Å; F742-F992 AromaticContact CZ-CZ 3.44Å; F742-F992 HydrophobicContact CZ-CZ 3.44Å; F742-F992 VanDerWaalsContact CZ-CZ 3.44Å; F992-S994 VanDerWaalsContact C-N 3.25Å; F992-S994 PolarHBondContact O-N 2.84Å; F992-R995 PolarHBondContact O-N 2.79Å; F992-V996 HydrophobicContact CD1-CG2 4.18Å; F992-V996 HydrophobicContact CE1-CG2 4.24Å; F992-V996 WeakPolarHBondContact O-CG2 3.38Å; F992-V996 PolarHBondContact O-N 3.48Å
993	A	96.2	Very high	97.1	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.008	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-61.4	-29.7	-179.9	0	0	0	0	0	114.1	M551 P705 N969 H971 T991 R995	M551-A993 HydrophobicContact CB-CB 4.22Å; M551-A993 HydrophobicContact CE-CB 4.4Å; M551-A993 HydrophobicContact SD-CB 3.7Å; P705-A993 HydrophobicContact CB-CB 4.04Å; P705-A993 HydrophobicContact CG-CB 4.01Å; N969-A993 PolarHBondContact N-O 2.96Å; H971-A993 PolarHBondContact NE2-O 3.01Å; T991-A993 VanDerWaalsContact C-N 3.28Å; T991-A993 PolarHBondContact O-N 3.21Å; A993-R995 VanDerWaalsContact C-N 3.3Å
994	S	96.7	Very high	97.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-81.2	-3.1	176.8	71.5	0	0	0	0	114.2	P966 N969 P988 L989 E990 T991 F992	P966-S994 WeakPolarHBondContact O-CA 3.27Å; P966-S994 WeakPolarHBondContact O-CB 3.34Å; N969-S994 VanDerWaalsContact CG-C 3.46Å; N969-S994 VanDerWaalsContact CG-O 3.28Å; N969-S994 PolarHBondContact ND2-O 3.17Å; N969-S994 VanDerWaalsContact ND2-O 3.13Å; N969-S994 PolarHBondContact OD1-O 3.46Å; P988-S994 VanDerWaalsContact CA-O 3.28Å; P988-S994 WeakPolarHBondContact CA-O 3.38Å; L989-S994 VanDerWaalsContact C-OG 3.3Å; L989-S994 WeakPolarHBondContact CA-OG 3.37Å; L989-S994 WeakPolarHBondContact CB-OG 3.4Å; L989-S994 PolarHBondContact N-OG 3.19Å; E990-S994 PolarHBondContact N-OG 3.28Å; T991-S994 PolarHBondContact N-OG 3.27Å; T991-S994 PolarHBondContact O-N 2.95Å; T991-S994 VanDerWaalsContact O-N 3.09Å; T991-S994 PolarHBondContact O-OG 3.43Å; T991-S994 VanDerWaalsContact OG1-CB 3.29Å; T991-S994 WeakPolarHBondContact OG1-CB 3.24Å; T991-S994 PolarHBondContact OG1-N 3.19Å; T991-S994 PolarHBondContact OG1-OG 3.4Å; F992-S994 VanDerWaalsContact C-N 3.25Å; F992-S994 PolarHBondContact O-N 2.84Å
995	R	97.8	Very high	97	Very high	56 Å²	56	15.5 Å²	15.5	21%	0.211	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-5.8	-174.4	-66.9	174.5	167	-95	-9.2	114.4	S721 T722 N969 P988 L989 T991 F992 A993 A997 S998 S999	S721-R995 PolarHBondContact O-NH1 3.48Å; T722-R995 HydrophobicContact CG2-CB 4.35Å; T722-R995 WeakPolarHBondContact O-CD 2.91Å; N969-R995 PolarHBondContact OD1-N 3.23Å; P988-R995 HydrophobicContact CB-CG 3.87Å; L989-R995 PolarHBondContact O-NE 3.48Å; L989-R995 PolarHBondContact O-NH2 2.87Å; T991-R995 WeakPolarHBondContact O-CG 3.41Å; T991-R995 PolarHBondContact O-N 3.02Å; F992-R995 PolarHBondContact O-N 2.79Å; A993-R995 VanDerWaalsContact C-N 3.3Å; R995-A997 VanDerWaalsContact C-N 3.34Å; R995-A997 PolarHBondContact O-N 3.01Å; R995-S998 WeakPolarHBondContact O-CB 3.17Å; R995-S998 PolarHBondContact O-N 2.95Å; R995-S998 VanDerWaalsContact O-N 3.08Å; R995-S998 PolarHBondContact O-OG 3.47Å; R995-S999 PolarHBondContact O-N 3.25Å
996	V	98	Very high	96.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-59.6	-42.1	-176.7	-178.9	0	0	0	0	112	F742 F743 N969 H971 F992 S998 S999 Q1000	F742-V996 HydrophobicContact CE1-CG1 4.35Å; F742-V996 HydrophobicContact CE1-CG2 4.28Å; F742-V996 HydrophobicContact CZ-CG1 4.13Å; F742-V996 HydrophobicContact CZ-CG2 3.95Å; F743-V996 HydrophobicContact CB-CG1 4.15Å; F743-V996 HydrophobicContact CD1-CG1 4.12Å; F743-V996 HydrophobicContact CD2-CG1 3.65Å; F743-V996 HydrophobicContact CE1-CG1 4.48Å; F743-V996 HydrophobicContact CE2-CG1 4.06Å; F743-V996 HydrophobicContact CG-CG1 3.69Å; F743-V996 HydrophobicContact CZ-CG1 4.45Å; N969-V996 PolarHBondContact OD1-N 2.99Å; H971-V996 HydrophobicContact CB-CG1 4.39Å; H971-V996 WeakPolarHBondContact CD2-CB 3.48Å; H971-V996 VanDerWaalsContact NE2-CG2 3.34Å; H971-V996 WeakPolarHBondContact NE2-CG2 3.33Å; F992-V996 HydrophobicContact CD1-CG2 4.18Å; F992-V996 HydrophobicContact CE1-CG2 4.24Å; F992-V996 WeakPolarHBondContact O-CG2 3.38Å; F992-V996 PolarHBondContact O-N 3.48Å; V996-S998 VanDerWaalsContact C-N 3.28Å; V996-S998 PolarHBondContact O-N 2.67Å; V996-S999 WeakPolarHBondContact O-CB 3.26Å; V996-S999 PolarHBondContact O-N 3.46Å; V996-Q1000 WeakPolarHBondContact O-CG 3.45Å; V996-Q1000 PolarHBondContact O-N 3.33Å; V996-Q1000 VanDerWaalsContact O-N 3.08Å
997	A	98.1	Very high	96.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67.9	-29.3	178.7	0	0	0	0	0	112.4	D964 N969 M984 T986 R995 S999 Q1000 L1001	D964-A997 WeakPolarHBondContact OD2-CB 3.28Å; N969-A997 HydrophobicContact CB-CB 3.71Å; N969-A997 PolarHBondContact OD1-N 3.4Å; N969-A997 VanDerWaalsContact OD1-N 3.17Å; M984-A997 HydrophobicContact CE-CB 3.64Å; T986-A997 HydrophobicContact CG2-CB 4.02Å; T986-A997 WeakPolarHBondContact OG1-CB 3.3Å; R995-A997 VanDerWaalsContact C-N 3.34Å; R995-A997 PolarHBondContact O-N 3.01Å; A997-S999 VanDerWaalsContact C-N 3.33Å; A997-Q1000 PolarHBondContact O-N 2.96Å; A997-L1001 WeakPolarHBondContact O-CB 3.43Å; A997-L1001 WeakPolarHBondContact O-CG 3.46Å; A997-L1001 PolarHBondContact O-N 3.34Å
998	S	97.6	Very high	96.8	Very high	5 Å²	5	21.6 Å²	21.6	4%	0.035	12%	0.115	C	C	.	.	H	α-helix	trans	-65.1	-39.1	173.3	77.2	0	0	0	0	111.7	R995 V996 L1001 N1002	R995-S998 WeakPolarHBondContact O-CB 3.17Å; R995-S998 PolarHBondContact O-N 2.95Å; R995-S998 VanDerWaalsContact O-N 3.08Å; R995-S998 PolarHBondContact O-OG 3.47Å; V996-S998 VanDerWaalsContact C-N 3.28Å; V996-S998 PolarHBondContact O-N 2.67Å; S998-L1001 PolarHBondContact O-N 2.81Å; S998-N1002 VanDerWaalsContact O-CB 3.29Å; S998-N1002 WeakPolarHBondContact O-CB 2.96Å; S998-N1002 PolarHBondContact O-N 3.41Å; S998-N1002 PolarHBondContact O-ND2 3.13Å
999	S	97.7	Very high	96.8	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.4	-46.4	172.2	165.2	0	0	0	0	111.9	D719 T722 T741 R995 V996 A997 L1001 N1002 A1003	D719-S999 VanDerWaalsContact CG-OG 3.29Å; D719-S999 WeakPolarHBondContact OD1-CB 3.1Å; D719-S999 VanDerWaalsContact OD2-CB 3.25Å; D719-S999 WeakPolarHBondContact OD2-CB 3.48Å; D719-S999 PolarHBondContact OD2-OG 3.23Å; T722-S999 VanDerWaalsContact OG1-CB 3.24Å; T722-S999 WeakPolarHBondContact OG1-CB 3.4Å; T741-S999 WeakPolarHBondContact CB-OG 3.25Å; T741-S999 PolarHBondContact OG1-OG 3.29Å; R995-S999 PolarHBondContact O-N 3.25Å; V996-S999 WeakPolarHBondContact O-CB 3.26Å; V996-S999 PolarHBondContact O-N 3.46Å; A997-S999 VanDerWaalsContact C-N 3.33Å; S999-L1001 PolarHBondContact O-N 2.93Å; S999-N1002 PolarHBondContact O-N 2.98Å; S999-A1003 WeakPolarHBondContact O-CB 3.18Å; S999-A1003 PolarHBondContact O-N 3.05Å
1000	Q	98	Very high	97	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58.5	-48.4	177.2	-63.2	169	2.7	0	0	111.5	F743 G970 H971 M975 L978 V996 A997 A1003 L1004 L1047	F743-Q1000 HydrophobicContact CD1-CG 4.39Å; G970-Q1000 PolarHBondContact O-NE2 3.5Å; G970-Q1000 PolarHBondContact O-OE1 3.35Å; H971-Q1000 PolarHBondContact O-NE2 3.09Å; M975-Q1000 HydrophobicContact SD-CB 4.28Å; M975-Q1000 HydrophobicContact SD-CG 3.63Å; L978-Q1000 HydrophobicContact CD1-CB 3.89Å; V996-Q1000 WeakPolarHBondContact O-CG 3.45Å; V996-Q1000 PolarHBondContact O-N 3.33Å; V996-Q1000 VanDerWaalsContact O-N 3.08Å; A997-Q1000 PolarHBondContact O-N 2.96Å; Q1000-A1003 PolarHBondContact O-N 3.23Å; Q1000-L1004 WeakPolarHBondContact O-CB 3.27Å; Q1000-L1004 PolarHBondContact O-N 3.13Å; Q1000-L1047 HydrophobicContact CB-CD1 4.33Å; Q1000-L1047 HydrophobicContact CB-CD2 4.43Å; Q1000-L1047 HydrophobicContact CG-CD1 4.48Å
1001	L	98.2	Very high	97.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.5	-38.3	-179.9	-71.8	169.1	0	0	0	112.5	L978 M984 T986 A997 S998 S999 L1004 G1005 C1006 L1009 V1010	L978-L1001 HydrophobicContact CD1-CD2 4.49Å; L978-L1001 HydrophobicContact CD2-CD2 4.01Å; M984-L1001 WeakPolarHBondContact O-CD1 3.31Å; T986-L1001 HydrophobicContact CG2-CD1 3.53Å; A997-L1001 WeakPolarHBondContact O-CB 3.43Å; A997-L1001 WeakPolarHBondContact O-CG 3.46Å; A997-L1001 PolarHBondContact O-N 3.34Å; S998-L1001 PolarHBondContact O-N 2.81Å; S999-L1001 PolarHBondContact O-N 2.93Å; L1001-L1004 CarbonylContact O-C 3.25Å; L1001-L1004 PolarHBondContact O-N 3.13Å; L1001-G1005 PolarHBondContact O-N 3.11Å; L1001-C1006 HydrophobicContact CD2-CB 4.24Å; L1001-C1006 PolarHBondContact O-N 3.09Å; L1001-L1009 HydrophobicContact CD1-CB 3.95Å; L1001-L1009 HydrophobicContact CD2-CB 4.15Å; L1001-L1009 HydrophobicContact CD2-CD1 4Å; L1001-V1010 HydrophobicContact CB-CG2 3.92Å; L1001-V1010 HydrophobicContact CD1-CG2 3.82Å
1002	N	96.2	Very high	97.4	Very high	51 Å²	51	23.2 Å²	23.2	27%	0.273	12%	0.117	S	C	.	.	H	α-helix	trans	-67.2	-39.4	175.8	-73.7	-23	0	0	0	111.9	S721 S998 S999 L1004 G1005	S721-N1002 PolarHBondContact OG-ND2 3.35Å; S998-N1002 VanDerWaalsContact O-CB 3.29Å; S998-N1002 WeakPolarHBondContact O-CB 2.96Å; S998-N1002 PolarHBondContact O-N 3.41Å; S998-N1002 PolarHBondContact O-ND2 3.13Å; S999-N1002 PolarHBondContact O-N 2.98Å; N1002-L1004 VanDerWaalsContact C-N 3.35Å; N1002-G1005 PolarHBondContact O-N 3.03Å
1003	A	96	Very high	97.5	Very high	3 Å²	3	24.9 Å²	24.9	3%	0.025	13%	0.129	C	C	.	.	H	α-helix	trans	-68.4	-33.2	173.6	0	0	0	0	0	112.6	T741 S999 Q1000 G1005 L1047	T741-A1003 HydrophobicContact CG2-CB 3.89Å; S999-A1003 WeakPolarHBondContact O-CB 3.18Å; S999-A1003 PolarHBondContact O-N 3.05Å; Q1000-A1003 PolarHBondContact O-N 3.23Å; A1003-G1005 PolarHBondContact O-N 2.97Å; A1003-L1047 HydrophobicContact CB-CB 4.36Å; A1003-L1047 HydrophobicContact CB-CD1 4.1Å
1004	L	97	Very high	97.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-12.2	172.1	-163.8	67.4	0	0	0	113.2	L978 Q1000 L1001 N1002 V1038 A1041 L1047	L978-L1004 HydrophobicContact CB-CD2 4.42Å; L978-L1004 HydrophobicContact CD1-CD2 4.23Å; L978-L1004 HydrophobicContact CD2-CD2 3.79Å; L978-L1004 HydrophobicContact CG-CD2 4.35Å; Q1000-L1004 WeakPolarHBondContact O-CB 3.27Å; Q1000-L1004 PolarHBondContact O-N 3.13Å; L1001-L1004 CarbonylContact O-C 3.25Å; L1001-L1004 PolarHBondContact O-N 3.13Å; N1002-L1004 VanDerWaalsContact C-N 3.35Å; L1004-V1038 HydrophobicContact CD2-CG1 4.15Å; L1004-V1038 HydrophobicContact CD2-CG2 4.36Å; L1004-A1041 HydrophobicContact CD1-CB 3.5Å; L1004-A1041 VanDerWaalsContact CD1-CB 3.5Å; L1004-A1041 HydrophobicContact CG-CB 3.72Å; L1004-A1041 WeakPolarHBondContact O-CB 3.44Å; L1004-L1047 HydrophobicContact CB-CD2 4.03Å; L1004-L1047 HydrophobicContact CD1-CD2 4.04Å; L1004-L1047 HydrophobicContact CG-CD2 4.49Å
1005	G	96.5	Very high	97.7	Very high	11 Å²	11	34.5 Å²	34.5	11%	0.113	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	27.1	-176.6	0	0	0	0	0	114.5	L1001 N1002 A1003 P1007 K1037	L1001-G1005 PolarHBondContact O-N 3.11Å; N1002-G1005 PolarHBondContact O-N 3.03Å; A1003-G1005 PolarHBondContact O-N 2.97Å; G1005-P1007 WeakPolarHBondContact O-CD 3.3Å; G1005-K1037 WeakPolarHBondContact O-CE 3.4Å; G1005-K1037 PolarHBondContact O-NZ 3.15Å
1006	C	97.5	Very high	97.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.			trans	-117.8	52	179.5	-60.1	0	0	0	0	113.1	L1001 E1008 L1009	L1001-C1006 HydrophobicContact CD2-CB 4.24Å; L1001-C1006 PolarHBondContact O-N 3.09Å; C1006-E1008 VanDerWaalsContact CA-OE2 3.32Å; C1006-E1008 WeakPolarHBondContact CA-OE2 3.33Å; C1006-E1008 PolarHBondContact O-N 3.34Å; C1006-E1008 VanDerWaalsContact O-N 3.16Å; C1006-L1009 HydrophobicContact CB-CD1 4.12Å; C1006-L1009 HydrophobicContact CB-CG 4.46Å; C1006-L1009 PolarHBondContact O-N 2.96Å
1007	P	96.6	Very high	97.8	Very high	70 Å²	70	34.2 Å²	34.2	46%	0.455	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-62.8	-20.2	-178.9	29.1	-37.2	0	0	0	113.5	G1005 L1009 V1010	G1005-P1007 WeakPolarHBondContact O-CD 3.3Å; P1007-L1009 PolarHBondContact O-N 3.3Å; P1007-L1009 VanDerWaalsContact O-N 3.14Å; P1007-V1010 WeakPolarHBondContact O-CB 3.48Å; P1007-V1010 PolarHBondContact O-N 2.99Å
1008	E	97.8	Very high	97.8	Very high	62 Å²	62	34.3 Å²	34.3	29%	0.29	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-64.6	-11.4	175.7	66	-92.1	-145.3	0	0	114.2	C1006 I1034 K1037	C1006-E1008 VanDerWaalsContact CA-OE2 3.32Å; C1006-E1008 WeakPolarHBondContact CA-OE2 3.33Å; C1006-E1008 PolarHBondContact O-N 3.34Å; C1006-E1008 VanDerWaalsContact O-N 3.16Å; E1008-I1034 HydrophobicContact CG-CD1 3.94Å; E1008-I1034 WeakPolarHBondContact OE1-CD1 3.49Å; E1008-K1037 IonicContact OE1-NZ 3.08Å; E1008-K1037 PolarHBondContact OE1-NZ 3.2Å; E1008-K1037 IonicContact OE2-NZ 2.63Å; E1008-K1037 PolarHBondContact OE2-NZ 2.93Å
1009	L	98.7	Very high	97.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-96	1.4	175	-60.3	179.6	0	0	0	113.3	P983 M984 V985 T986 L1001 C1006 P1007 I1020 L1024 I1034 V1038	P983-L1009 HydrophobicContact CB-CD1 3.98Å; M984-L1009 WeakPolarHBondContact O-CB 3.47Å; V985-L1009 WeakPolarHBondContact CA-O 3.3Å; T986-L1009 PolarHBondContact N-O 2.87Å; T986-L1009 VanDerWaalsContact N-O 3.09Å; L1001-L1009 HydrophobicContact CD1-CB 3.95Å; L1001-L1009 HydrophobicContact CD2-CB 4.15Å; L1001-L1009 HydrophobicContact CD2-CD1 4Å; C1006-L1009 HydrophobicContact CB-CD1 4.12Å; C1006-L1009 HydrophobicContact CB-CG 4.46Å; C1006-L1009 PolarHBondContact O-N 2.96Å; P1007-L1009 PolarHBondContact O-N 3.3Å; P1007-L1009 VanDerWaalsContact O-N 3.14Å; L1009-I1020 HydrophobicContact CD2-CG2 4.28Å; L1009-L1024 HydrophobicContact CD2-CD1 3.89Å; L1009-I1034 HydrophobicContact CD1-CG2 4.04Å; L1009-I1034 HydrophobicContact CD2-CG2 4.1Å; L1009-I1034 HydrophobicContact CG-CG2 4.47Å; L1009-V1038 HydrophobicContact CD1-CG2 4.41Å
1010	V	98.6	Very high	97.9	Very high	27 Å²	27	38.4 Å²	38.4	16%	0.164	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-96.9	103.9	177.4	-174.7	0	0	0	0	109	T986 P988 L1001 P1007	T986-V1010 HydrophobicContact CG2-CG1 4.36Å; T986-V1010 HydrophobicContact CG2-CG2 4.21Å; P988-V1010 HydrophobicContact CG-CG1 3.66Å; L1001-V1010 HydrophobicContact CB-CG2 3.92Å; L1001-V1010 HydrophobicContact CD1-CG2 3.82Å; P1007-V1010 WeakPolarHBondContact O-CB 3.48Å; P1007-V1010 PolarHBondContact O-N 2.99Å
1011	A	98.7	Very high	98	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.008	20%	0.195	C	C	.	.			trans	-71.7	148.5	-179.3	0	0	0	0	0	112.4	T986 L987 P988 D1016 Y1017 I1020	T986-A1011 VanDerWaalsContact O-CB 3.31Å; T986-A1011 WeakPolarHBondContact O-CB 3.44Å; T986-A1011 PolarHBondContact O-N 3.16Å; L987-A1011 HydrophobicContact CB-CB 4.45Å; L987-A1011 HydrophobicContact CD1-CB 4.17Å; L987-A1011 WeakPolarHBondContact CD1-O 3.48Å; P988-A1011 WeakPolarHBondContact CD-O 3.44Å; A1011-D1016 WeakPolarHBondContact CA-OD2 3.44Å; A1011-D1016 HydrophobicContact CB-CB 4.42Å; A1011-Y1017 VanDerWaalsContact CB-CA 3.47Å; A1011-Y1017 HydrophobicContact CB-CD2 4.21Å; A1011-Y1017 HydrophobicContact CB-CG 4.4Å; A1011-I1020 HydrophobicContact CB-CD1 4Å
1012	K	97.7	Very high	98	Very high	193 Å²	193	39 Å²	39	84%	0.839	20%	0.199	S	C	*	.	S	Bend	trans	-98.2	-21.5	178.9	-61.1	174.6	-173.5	172	0	113.4	D1016	K1012-D1016 PolarHBondContact N-OD2 3.17Å
1013	S	98.3	Very high	98.1	Very high	42 Å²	42	42.2 Å²	42.2	29%	0.294	21%	0.207	S	C	.	.	S	Bend	trans	-147.2	175.4	176.9	81.8	0	0	0	0	110.7	E1015 D1016 Y1017	S1013-E1015 VanDerWaalsContact C-N 3.31Å; S1013-E1015 VanDerWaalsContact CB-OE2 3.29Å; S1013-E1015 WeakPolarHBondContact CB-OE2 3.34Å; S1013-E1015 PolarHBondContact OG-N 3.2Å; S1013-E1015 PolarHBondContact OG-OE2 3.34Å; S1013-D1016 PolarHBondContact O-N 2.99Å; S1013-D1016 PolarHBondContact OG-N 3.49Å; S1013-D1016 VanDerWaalsContact OG-N 3.16Å; S1013-Y1017 WeakPolarHBondContact O-CB 3.16Å; S1013-Y1017 PolarHBondContact O-N 3.09Å
1014	R	98	Very high	98.2	Very high	79 Å²	79	42.1 Å²	42.1	30%	0.298	21%	0.206	S	C	.	.	H	α-helix	trans	-64.7	-38.7	175.1	-70.9	-173.3	173.9	-92.6	1.9	111.4	P897 M901 L987 Y1017 V1018	P897-R1014 VanDerWaalsContact CB-CZ 3.44Å; P897-R1014 VanDerWaalsContact CB-NH2 3.35Å; P897-R1014 PolarHBondContact O-NH1 2.97Å; M901-R1014 HydrophobicContact SD-CB 3.57Å; M901-R1014 VanDerWaalsContact SD-CB 3.57Å; M901-R1014 HydrophobicContact SD-CG 3.6Å; M901-R1014 VanDerWaalsContact SD-CG 3.6Å; L987-R1014 HydrophobicContact CD2-CG 3.88Å; R1014-Y1017 WeakPolarHBondContact O-CB 3.43Å; R1014-Y1017 PolarHBondContact O-N 3.42Å; R1014-V1018 WeakPolarHBondContact O-CG2 3.37Å; R1014-V1018 PolarHBondContact O-N 3.3Å; R1014-V1018 VanDerWaalsContact O-N 3.1Å
1015	E	98.6	Very high	98.2	Very high	125 Å²	125	42.7 Å²	42.7	58%	0.584	21%	0.212	S	C	*	.	H	α-helix	trans	-64.6	-47	176.4	-58.1	70.5	-152.8	0	0	110.4	S1013 Y1017 V1018 D1019	S1013-E1015 VanDerWaalsContact C-N 3.31Å; S1013-E1015 VanDerWaalsContact CB-OE2 3.29Å; S1013-E1015 WeakPolarHBondContact CB-OE2 3.34Å; S1013-E1015 PolarHBondContact OG-N 3.2Å; S1013-E1015 PolarHBondContact OG-OE2 3.34Å; E1015-Y1017 VanDerWaalsContact C-N 3.31Å; E1015-Y1017 PolarHBondContact O-N 3.4Å; E1015-V1018 PolarHBondContact O-N 3.38Å; E1015-D1019 WeakPolarHBondContact O-CB 3.46Å; E1015-D1019 PolarHBondContact O-N 2.99Å
1016	D	98.8	Very high	98.3	Very high	50 Å²	50	46.2 Å²	46.2	27%	0.267	23%	0.232	S	C	.	.	H	α-helix	trans	-62.1	-38.1	176.7	-168.7	40.6	0	0	0	111.8	A1011 K1012 S1013 V1018 D1019 I1020	A1011-D1016 WeakPolarHBondContact CA-OD2 3.44Å; A1011-D1016 HydrophobicContact CB-CB 4.42Å; K1012-D1016 PolarHBondContact N-OD2 3.17Å; S1013-D1016 PolarHBondContact O-N 2.99Å; S1013-D1016 PolarHBondContact OG-N 3.49Å; S1013-D1016 VanDerWaalsContact OG-N 3.16Å; D1016-V1018 PolarHBondContact O-N 2.88Å; D1016-D1019 PolarHBondContact O-N 3.35Å; D1016-I1020 WeakPolarHBondContact O-CB 3.43Å; D1016-I1020 VanDerWaalsContact O-CG1 3.23Å; D1016-I1020 WeakPolarHBondContact O-CG1 3.5Å; D1016-I1020 PolarHBondContact O-N 3.47Å
1017	Y	98.9	Very high	98.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.6	-47.2	174.4	-180	-79.3	0	0	0	111.6	M901 W902 I905 L963 D964 V985 L987 A1011 S1013 R1014 E1015 A1021	M901-Y1017 HydrophobicContact CE-CD1 4.17Å; M901-Y1017 HydrophobicContact CE-CE1 4.31Å; M901-Y1017 HydrophobicContact SD-CD1 4.22Å; W902-Y1017 PolarHBondContact NE1-OH 2.84Å; I905-Y1017 HydrophobicContact CD1-CD1 4.27Å; I905-Y1017 HydrophobicContact CD1-CE1 3.96Å; L963-Y1017 VanDerWaalsContact C-OH 3.22Å; L963-Y1017 WeakPolarHBondContact CA-OH 3.47Å; L963-Y1017 WeakPolarHBondContact CB-OH 3.4Å; L963-Y1017 HydrophobicContact CD2-CE1 4.36Å; D964-Y1017 PolarHBondContact N-OH 3.48Å; D964-Y1017 VanDerWaalsContact N-OH 3.07Å; D964-Y1017 PolarHBondContact O-OH 3.22Å; V985-Y1017 HydrophobicContact CB-CE2 4.26Å; V985-Y1017 HydrophobicContact CG1-CD2 3.69Å; V985-Y1017 HydrophobicContact CG1-CE2 3.89Å; V985-Y1017 HydrophobicContact CG1-CG 4.15Å; V985-Y1017 WeakPolarHBondContact O-CE2 3.45Å; L987-Y1017 HydrophobicContact CB-CD2 3.81Å; L987-Y1017 HydrophobicContact CB-CE2 4.46Å; A1011-Y1017 VanDerWaalsContact CB-CA 3.47Å; A1011-Y1017 HydrophobicContact CB-CD2 4.21Å; A1011-Y1017 HydrophobicContact CB-CG 4.4Å; S1013-Y1017 WeakPolarHBondContact O-CB 3.16Å; S1013-Y1017 PolarHBondContact O-N 3.09Å; R1014-Y1017 WeakPolarHBondContact O-CB 3.43Å; R1014-Y1017 PolarHBondContact O-N 3.42Å; E1015-Y1017 VanDerWaalsContact C-N 3.31Å; E1015-Y1017 PolarHBondContact O-N 3.4Å; Y1017-A1021 WeakPolarHBondContact O-CB 3.44Å; Y1017-A1021 PolarHBondContact O-N 3.4Å; Y1017-A1021 VanDerWaalsContact O-N 3.13Å
1018	V	98.9	Very high	98	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-63.8	-44.7	176.2	173.1	0	0	0	0	110.3	M901 E904 I905 R1014 E1015 D1016 A1021 V1022	M901-V1018 HydrophobicContact CB-CG2 3.94Å; M901-V1018 HydrophobicContact CG-CG2 4.17Å; E904-V1018 HydrophobicContact CG-CG1 4.15Å; I905-V1018 HydrophobicContact CD1-CG2 4.45Å; I905-V1018 HydrophobicContact CG1-CB 4.24Å; I905-V1018 HydrophobicContact CG1-CG1 3.89Å; I905-V1018 HydrophobicContact CG1-CG2 4.17Å; R1014-V1018 WeakPolarHBondContact O-CG2 3.37Å; R1014-V1018 PolarHBondContact O-N 3.3Å; R1014-V1018 VanDerWaalsContact O-N 3.1Å; E1015-V1018 PolarHBondContact O-N 3.38Å; D1016-V1018 PolarHBondContact O-N 2.88Å; V1018-A1021 PolarHBondContact O-N 3.38Å; V1018-V1022 HydrophobicContact CG1-CG2 4Å; V1018-V1022 WeakPolarHBondContact O-CB 3.39Å; V1018-V1022 WeakPolarHBondContact O-CG2 3.37Å; V1018-V1022 PolarHBondContact O-N 3.14Å
1019	D	98.9	Very high	97.8	Very high	72 Å²	72	49.7 Å²	49.7	39%	0.385	25%	0.251	S	S	.	.	H	α-helix	trans	-65.3	-41.5	-177.7	-75.3	-22.2	0	0	0	112.8	R908 E1015 D1016 V1022 R1023	R908-D1019 IonicContact CZ-OD1 3.89Å; R908-D1019 VanDerWaalsContact CZ-OD1 3.25Å; R908-D1019 IonicContact NH1-OD1 2.93Å; R908-D1019 PolarHBondContact NH1-OD1 3.06Å; R908-D1019 IonicContact NH2-OD1 3.18Å; R908-D1019 PolarHBondContact NH2-OD1 3.43Å; E1015-D1019 WeakPolarHBondContact O-CB 3.46Å; E1015-D1019 PolarHBondContact O-N 2.99Å; D1016-D1019 PolarHBondContact O-N 3.35Å; D1019-V1022 PolarHBondContact O-N 2.86Å; D1019-R1023 VanDerWaalsContact O-CB 3.27Å; D1019-R1023 WeakPolarHBondContact O-CB 3.39Å; D1019-R1023 PolarHBondContact O-N 3.17Å
1020	I	98.8	Very high	97.6	Very high	19 Å²	19	51.1 Å²	51.1	10%	0.097	26%	0.256	C	S	.	.	H	α-helix	trans	-60.6	-48.3	173.1	-67.2	164.8	0	0	0	110	V985 L1009 A1011 D1016 V1022 R1023 L1024	V985-I1020 HydrophobicContact CG1-CB 4.17Å; V985-I1020 HydrophobicContact CG1-CG2 3.92Å; V985-I1020 HydrophobicContact CG2-CG2 3.76Å; L1009-I1020 HydrophobicContact CD2-CG2 4.28Å; A1011-I1020 HydrophobicContact CB-CD1 4Å; D1016-I1020 WeakPolarHBondContact O-CB 3.43Å; D1016-I1020 VanDerWaalsContact O-CG1 3.23Å; D1016-I1020 WeakPolarHBondContact O-CG1 3.5Å; D1016-I1020 PolarHBondContact O-N 3.47Å; I1020-V1022 PolarHBondContact O-N 3Å; I1020-R1023 PolarHBondContact O-N 3.45Å; I1020-L1024 HydrophobicContact CG2-CD1 4.03Å; I1020-L1024 WeakPolarHBondContact O-CG 3.37Å; I1020-L1024 PolarHBondContact O-N 3.2Å
1021	A	98.9	Very high	97.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.3	-40.3	-179.5	0	0	0	0	0	112.6	Y885 I905 L963 V985 Y1017 V1018 L1024 G1025	Y885-A1021 HydrophobicContact CE1-CB 4.27Å; Y885-A1021 PolarHBondContact OH-O 3.03Å; I905-A1021 HydrophobicContact CD1-CB 3.51Å; I905-A1021 HydrophobicContact CG1-CB 3.92Å; I905-A1021 HydrophobicContact CG2-CB 4.19Å; L963-A1021 HydrophobicContact CD2-CB 3.81Å; V985-A1021 HydrophobicContact CG2-CB 4.5Å; Y1017-A1021 WeakPolarHBondContact O-CB 3.44Å; Y1017-A1021 PolarHBondContact O-N 3.4Å; Y1017-A1021 VanDerWaalsContact O-N 3.13Å; V1018-A1021 PolarHBondContact O-N 3.38Å; A1021-L1024 PolarHBondContact O-N 2.97Å; A1021-G1025 PolarHBondContact O-N 3.41Å
1022	V	98.9	Very high	97.1	Very high	12 Å²	12	53.1 Å²	53.1	7%	0.073	26%	0.262	C	S	.	.	H	α-helix	trans	-68.4	-41.5	176.7	169.4	0	0	0	0	110.7	I905 R908 V909 V1018 D1019 I1020 L1024 G1025 T1026	I905-V1022 HydrophobicContact CG1-CG2 4.39Å; I905-V1022 HydrophobicContact CG2-CG2 4.42Å; R908-V1022 HydrophobicContact CB-CG1 4.18Å; R908-V1022 HydrophobicContact CB-CG2 3.71Å; R908-V1022 HydrophobicContact CG-CG2 4.47Å; V909-V1022 HydrophobicContact CG2-CB 4.42Å; V909-V1022 HydrophobicContact CG2-CG1 4.21Å; V909-V1022 HydrophobicContact CG2-CG2 4.23Å; V1018-V1022 HydrophobicContact CG1-CG2 4Å; V1018-V1022 WeakPolarHBondContact O-CB 3.39Å; V1018-V1022 WeakPolarHBondContact O-CG2 3.37Å; V1018-V1022 PolarHBondContact O-N 3.14Å; D1019-V1022 PolarHBondContact O-N 2.86Å; I1020-V1022 PolarHBondContact O-N 3Å; V1022-L1024 VanDerWaalsContact C-N 3.34Å; V1022-L1024 PolarHBondContact O-N 2.85Å; V1022-G1025 CarbonylContact O-C 3.53Å; V1022-G1025 WeakPolarHBondContact O-CA 3.43Å; V1022-G1025 PolarHBondContact O-N 3.48Å; V1022-T1026 HydrophobicContact CG1-CG2 4.24Å; V1022-T1026 WeakPolarHBondContact O-CB 3.44Å; V1022-T1026 WeakPolarHBondContact O-CG2 3.25Å; V1022-T1026 PolarHBondContact O-N 3.47Å; V1022-T1026 PolarHBondContact O-OG1 2.79Å
1023	R	98.7	Very high	96.9	Very high	119 Å²	119	50.3 Å²	50.3	45%	0.449	25%	0.246	S	C	.	.	H	α-helix	trans	-59.4	-46.7	174.5	-175	-178.4	-178.1	180	1.8	110.7	D1019 I1020 G1025 T1026 D1027 Y1030	D1019-R1023 VanDerWaalsContact O-CB 3.27Å; D1019-R1023 WeakPolarHBondContact O-CB 3.39Å; D1019-R1023 PolarHBondContact O-N 3.17Å; I1020-R1023 PolarHBondContact O-N 3.45Å; R1023-G1025 PolarHBondContact O-N 3.32Å; R1023-T1026 PolarHBondContact O-N 2.94Å; R1023-D1027 HydrophobicContact CG-CB 4.05Å; R1023-D1027 IonicContact NE-OD2 2.76Å; R1023-D1027 IonicContact NH2-OD2 3.38Å; R1023-D1027 WeakPolarHBondContact O-CB 3.35Å; R1023-D1027 PolarHBondContact O-N 2.9Å; R1023-Y1030 HydrophobicContact CG-CD1 3.86Å; R1023-Y1030 HydrophobicContact CG-CE1 4.24Å
1024	L	98.1	Very high	96.8	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-62.3	-26.9	175.2	-70.6	165.5	0	0	0	112.9	I961 V985 L1009 I1020 A1021 V1022 Y1030 L1031 I1034	I961-L1024 HydrophobicContact CD1-CB 3.96Å; I961-L1024 HydrophobicContact CG1-CB 3.71Å; I961-L1024 HydrophobicContact CG1-CD1 4.12Å; I961-L1024 HydrophobicContact CG1-CG 4.46Å; I961-L1024 HydrophobicContact CG2-CD1 4.15Å; V985-L1024 HydrophobicContact CG2-CD1 3.7Å; L1009-L1024 HydrophobicContact CD2-CD1 3.89Å; I1020-L1024 HydrophobicContact CG2-CD1 4.03Å; I1020-L1024 WeakPolarHBondContact O-CG 3.37Å; I1020-L1024 PolarHBondContact O-N 3.2Å; A1021-L1024 PolarHBondContact O-N 2.97Å; V1022-L1024 VanDerWaalsContact C-N 3.34Å; V1022-L1024 PolarHBondContact O-N 2.85Å; L1024-Y1030 HydrophobicContact CD2-CD1 3.75Å; L1024-Y1030 HydrophobicContact CD2-CE1 3.62Å; L1024-Y1030 HydrophobicContact CG-CD1 4.32Å; L1024-Y1030 HydrophobicContact CG-CE1 4.07Å; L1024-L1031 HydrophobicContact CB-CD1 4.36Å; L1024-L1031 HydrophobicContact CD2-CD1 4.07Å; L1024-L1031 WeakPolarHBondContact O-CB 3.5Å; L1024-L1031 WeakPolarHBondContact O-CD2 3.44Å; L1024-I1034 HydrophobicContact CD2-CB 4.17Å; L1024-I1034 HydrophobicContact CD2-CG1 4.16Å; L1024-I1034 HydrophobicContact CD2-CG2 4.25Å
1025	G	97.6	Very high	96.7	Very high	13 Å²	13	45 Å²	45	13%	0.134	22%	0.22	C	C	.	.	H	α-helix	trans	-86.6	-12	176.1	0	0	0	0	0	115.7	Y885 A1021 V1022 R1023	Y885-G1025 VanDerWaalsContact OH-CA 3.31Å; Y885-G1025 WeakPolarHBondContact OH-CA 3.45Å; A1021-G1025 PolarHBondContact O-N 3.41Å; V1022-G1025 CarbonylContact O-C 3.53Å; V1022-G1025 WeakPolarHBondContact O-CA 3.43Å; V1022-G1025 PolarHBondContact O-N 3.48Å; R1023-G1025 PolarHBondContact O-N 3.32Å
1026	T	97.4	Very high	96.5	Very high	84 Å²	84	39.1 Å²	39.1	52%	0.515	19%	0.193	S	C	.	.	H	α-helix	trans	-123.7	-33.4	-172.8	53.8	0	0	0	0	113.6	V909 V1022 R1023 V1028	V909-T1026 HydrophobicContact CG2-CG2 3.99Å; V1022-T1026 HydrophobicContact CG1-CG2 4.24Å; V1022-T1026 WeakPolarHBondContact O-CB 3.44Å; V1022-T1026 WeakPolarHBondContact O-CG2 3.25Å; V1022-T1026 PolarHBondContact O-N 3.47Å; V1022-T1026 PolarHBondContact O-OG1 2.79Å; R1023-T1026 PolarHBondContact O-N 2.94Å; T1026-V1028 PolarHBondContact O-N 3.42Å
1027	D	96.5	Very high	96.4	Very high	53 Å²	53	38 Å²	38	28%	0.283	19%	0.185	S	C	.	.			trans	-92.8	93	174.8	-176.8	-15.3	0	0	0	109.6	R1023 D1029 Y1030 L1031	R1023-D1027 HydrophobicContact CG-CB 4.05Å; R1023-D1027 IonicContact NE-OD2 2.76Å; R1023-D1027 IonicContact NH2-OD2 3.38Å; R1023-D1027 WeakPolarHBondContact O-CB 3.35Å; R1023-D1027 PolarHBondContact O-N 2.9Å; D1027-D1029 VanDerWaalsContact C-N 3.34Å; D1027-D1029 PolarHBondContact O-N 3.34Å; D1027-D1029 PolarHBondContact OD1-N 2.9Å; D1027-Y1030 PolarHBondContact O-N 3.43Å; D1027-Y1030 WeakPolarHBondContact OD1-CB 3.3Å; D1027-Y1030 PolarHBondContact OD1-N 3.15Å; D1027-Y1030 VanDerWaalsContact OD2-CB 3.27Å; D1027-Y1030 WeakPolarHBondContact OD2-CB 3.48Å; D1027-L1031 PolarHBondContact O-N 3Å
1028	V	91.9	Very high	96.4	Very high	61 Å²	61	38 Å²	38	37%	0.37	19%	0.185	S	C	.	.	H	α-helix	trans	-61.8	-40	-174.8	177.8	0	0	0	0	112.3	R770 T1026 L1031 R1032	R770-V1028 HydrophobicContact CB-CG1 3.78Å; R770-V1028 HydrophobicContact CG-CG1 3.58Å; T1026-V1028 PolarHBondContact O-N 3.42Å; V1028-L1031 PolarHBondContact O-N 3.31Å; V1028-R1032 HydrophobicContact CG1-CG 4.46Å; V1028-R1032 WeakPolarHBondContact O-CB 3.34Å; V1028-R1032 WeakPolarHBondContact O-CG 3.34Å; V1028-R1032 PolarHBondContact O-N 3.08Å
1029	D	92.5	Very high	96.2	Very high	92 Å²	92	39 Å²	39	49%	0.492	19%	0.189	S	C	.	.	H	α-helix	trans	-73.2	-34.7	-179.1	-70.8	-40.2	0	0	0	111.5	D1027 R1032 R1033	D1027-D1029 VanDerWaalsContact C-N 3.34Å; D1027-D1029 PolarHBondContact O-N 3.34Å; D1027-D1029 PolarHBondContact OD1-N 2.9Å; D1029-R1032 PolarHBondContact O-N 2.84Å; D1029-R1032 IonicContact OD1-NH1 3.41Å; D1029-R1032 PolarHBondContact OD1-NH1 3.22Å; D1029-R1032 VanDerWaalsContact OD1-NH1 3.08Å; D1029-R1033 WeakPolarHBondContact O-CG 3.22Å; D1029-R1033 PolarHBondContact O-N 3.25Å
1030	Y	95	Very high	96.1	Very high	29 Å²	29	38.9 Å²	38.9	11%	0.114	19%	0.185	C	C	.	.	H	α-helix	trans	-62.7	-49.5	169.6	-175.4	-110.8	0	0	0	112.1	R1023 L1024 D1027 R1032 R1033 I1034	R1023-Y1030 HydrophobicContact CG-CD1 3.86Å; R1023-Y1030 HydrophobicContact CG-CE1 4.24Å; L1024-Y1030 HydrophobicContact CD2-CD1 3.75Å; L1024-Y1030 HydrophobicContact CD2-CE1 3.62Å; L1024-Y1030 HydrophobicContact CG-CD1 4.32Å; L1024-Y1030 HydrophobicContact CG-CE1 4.07Å; D1027-Y1030 PolarHBondContact O-N 3.43Å; D1027-Y1030 WeakPolarHBondContact OD1-CB 3.3Å; D1027-Y1030 PolarHBondContact OD1-N 3.15Å; D1027-Y1030 VanDerWaalsContact OD2-CB 3.27Å; D1027-Y1030 WeakPolarHBondContact OD2-CB 3.48Å; Y1030-R1032 VanDerWaalsContact C-N 3.29Å; Y1030-R1032 PolarHBondContact O-N 3.23Å; Y1030-R1033 PolarHBondContact O-N 2.89Å; Y1030-I1034 HydrophobicContact CD1-CG1 4.29Å; Y1030-I1034 HydrophobicContact CD2-CG1 4.2Å; Y1030-I1034 HydrophobicContact CE1-CG1 3.91Å; Y1030-I1034 HydrophobicContact CE2-CD1 3.86Å; Y1030-I1034 HydrophobicContact CE2-CG1 3.8Å; Y1030-I1034 HydrophobicContact CG-CG1 4.42Å; Y1030-I1034 WeakPolarHBondContact O-CG1 3.47Å; Y1030-I1034 PolarHBondContact O-N 3.33Å
1031	L	95	Very high	96	Very high	17 Å²	17	38 Å²	38	9%	0.089	18%	0.18	C	C	.	.	H	α-helix	trans	-55	-45.5	175.6	178.1	61.6	0	0	0	111.6	D960 I961 L1024 D1027 V1028 R1033 I1034 R1035	D960-L1031 HydrophobicContact CB-CD2 4.35Å; I961-L1031 HydrophobicContact CD1-CD1 4.01Å; I961-L1031 HydrophobicContact CG1-CD1 4.05Å; L1024-L1031 HydrophobicContact CB-CD1 4.36Å; L1024-L1031 HydrophobicContact CD2-CD1 4.07Å; L1024-L1031 WeakPolarHBondContact O-CB 3.5Å; L1024-L1031 WeakPolarHBondContact O-CD2 3.44Å; D1027-L1031 PolarHBondContact O-N 3Å; V1028-L1031 PolarHBondContact O-N 3.31Å; L1031-R1033 PolarHBondContact O-N 2.97Å; L1031-I1034 PolarHBondContact O-N 3.34Å; L1031-R1035 HydrophobicContact CD1-CG 3.95Å; L1031-R1035 HydrophobicContact CG-CG 4.32Å; L1031-R1035 WeakPolarHBondContact O-CB 3.45Å; L1031-R1035 VanDerWaalsContact O-CG 3.28Å; L1031-R1035 WeakPolarHBondContact O-CG 3.5Å; L1031-R1035 PolarHBondContact O-N 3.46Å
1032	R	92.2	Very high	95.9	Very high	54 Å²	54	38.1 Å²	38.1	20%	0.204	18%	0.181	C	C	.	.	H	α-helix	trans	-60.5	-43.7	179.2	-74.5	170.6	71.8	-155.7	1.8	112.6	L769 V1028 D1029 Y1030 A1036	L769-R1032 PolarHBondContact O-NE 3.01Å; V1028-R1032 HydrophobicContact CG1-CG 4.46Å; V1028-R1032 WeakPolarHBondContact O-CB 3.34Å; V1028-R1032 WeakPolarHBondContact O-CG 3.34Å; V1028-R1032 PolarHBondContact O-N 3.08Å; D1029-R1032 PolarHBondContact O-N 2.84Å; D1029-R1032 IonicContact OD1-NH1 3.41Å; D1029-R1032 PolarHBondContact OD1-NH1 3.22Å; D1029-R1032 VanDerWaalsContact OD1-NH1 3.08Å; Y1030-R1032 VanDerWaalsContact C-N 3.29Å; Y1030-R1032 PolarHBondContact O-N 3.23Å; R1032-A1036 WeakPolarHBondContact O-CB 3.37Å; R1032-A1036 PolarHBondContact O-N 3.35Å
1033	R	93.4	Very high	95.7	Very high	133 Å²	133	40.6 Å²	40.6	50%	0.502	20%	0.196	S	C	.	.	H	α-helix	trans	-64.5	-46.5	176.8	-76.2	-176.6	-64.3	-152.8	-2.6	111.6	D1029 Y1030 L1031 A1036 K1037	D1029-R1033 WeakPolarHBondContact O-CG 3.22Å; D1029-R1033 PolarHBondContact O-N 3.25Å; Y1030-R1033 PolarHBondContact O-N 2.89Å; L1031-R1033 PolarHBondContact O-N 2.97Å; R1033-A1036 PolarHBondContact O-N 2.91Å; R1033-K1037 WeakPolarHBondContact O-CB 3.33Å; R1033-K1037 PolarHBondContact O-N 3.28Å
1034	I	96.2	Very high	95.6	Very high	7 Å²	7	36 Å²	36	4%	0.036	18%	0.181	C	C	.	.	H	α-helix	trans	-65.5	-41.6	179.8	-63.6	-60.8	0	0	0	111.1	P983 E1008 L1009 L1024 Y1030 L1031 A1036 K1037 V1038	P983-I1034 HydrophobicContact CB-CG2 3.71Å; P983-I1034 HydrophobicContact CG-CG2 3.68Å; E1008-I1034 HydrophobicContact CG-CD1 3.94Å; E1008-I1034 WeakPolarHBondContact OE1-CD1 3.49Å; L1009-I1034 HydrophobicContact CD1-CG2 4.04Å; L1009-I1034 HydrophobicContact CD2-CG2 4.1Å; L1009-I1034 HydrophobicContact CG-CG2 4.47Å; L1024-I1034 HydrophobicContact CD2-CB 4.17Å; L1024-I1034 HydrophobicContact CD2-CG1 4.16Å; L1024-I1034 HydrophobicContact CD2-CG2 4.25Å; Y1030-I1034 HydrophobicContact CD1-CG1 4.29Å; Y1030-I1034 HydrophobicContact CD2-CG1 4.2Å; Y1030-I1034 HydrophobicContact CE1-CG1 3.91Å; Y1030-I1034 HydrophobicContact CE2-CD1 3.86Å; Y1030-I1034 HydrophobicContact CE2-CG1 3.8Å; Y1030-I1034 HydrophobicContact CG-CG1 4.42Å; Y1030-I1034 WeakPolarHBondContact O-CG1 3.47Å; Y1030-I1034 PolarHBondContact O-N 3.33Å; L1031-I1034 PolarHBondContact O-N 3.34Å; I1034-A1036 PolarHBondContact O-N 3.44Å; I1034-K1037 WeakPolarHBondContact O-CB 3.43Å; I1034-K1037 PolarHBondContact O-N 3.18Å; I1034-V1038 HydrophobicContact CG2-CG2 4.3Å; I1034-V1038 WeakPolarHBondContact O-CB 3.38Å; I1034-V1038 WeakPolarHBondContact O-CG2 3.41Å; I1034-V1038 PolarHBondContact O-N 2.95Å
1035	R	95.2	Very high	95.5	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.015	18%	0.183	C	C	.	.	H	α-helix	trans	-61	-42.8	173.7	-73.2	178.9	64.6	73.6	1.8	112.1	D772 N773 A959 D960 P983 L1031 W1039	D772-R1035 IonicContact OD1-CZ 3.55Å; D772-R1035 VanDerWaalsContact OD1-CZ 3.29Å; D772-R1035 IonicContact OD1-NE 3.43Å; D772-R1035 PolarHBondContact OD1-NE 3.43Å; D772-R1035 IonicContact OD1-NH2 3.56Å; D772-R1035 PolarHBondContact OD1-NH2 3.3Å; D772-R1035 IonicContact OD2-NE 3.8Å; D772-R1035 IonicContact OD2-NH2 3.54Å; N773-R1035 PolarHBondContact ND2-NH2 3.3Å; A959-R1035 PolarHBondContact O-NH1 3.31Å; D960-R1035 PolarHBondContact O-NH1 3.33Å; P983-R1035 HydrophobicContact CG-CB 4.46Å; P983-R1035 HydrophobicContact CG-CG 3.68Å; L1031-R1035 HydrophobicContact CD1-CG 3.95Å; L1031-R1035 HydrophobicContact CG-CG 4.32Å; L1031-R1035 WeakPolarHBondContact O-CB 3.45Å; L1031-R1035 VanDerWaalsContact O-CG 3.28Å; L1031-R1035 WeakPolarHBondContact O-CG 3.5Å; L1031-R1035 PolarHBondContact O-N 3.46Å; R1035-W1039 WeakPolarHBondContact O-CB 3.49Å; R1035-W1039 PolarHBondContact O-N 3.4Å
1036	A	94.8	Very high	95.3	Very high	1 Å²	1	36 Å²	36	1%	0.008	18%	0.179	C	C	.	.	H	α-helix	trans	-62.5	-44.5	175.4	0	0	0	0	0	111.5	R796 A798 V813 R1032 R1033 I1034 W1039 K1040	R796-A1036 HydrophobicContact CB-CB 3.97Å; A798-A1036 HydrophobicContact CB-CB 4.07Å; V813-A1036 HydrophobicContact CB-CB 4.1Å; V813-A1036 HydrophobicContact CG1-CB 4.34Å; V813-A1036 HydrophobicContact CG2-CB 4.06Å; R1032-A1036 WeakPolarHBondContact O-CB 3.37Å; R1032-A1036 PolarHBondContact O-N 3.35Å; R1033-A1036 PolarHBondContact O-N 2.91Å; I1034-A1036 PolarHBondContact O-N 3.44Å; A1036-W1039 PolarHBondContact O-N 2.6Å; A1036-K1040 PolarHBondContact O-N 2.87Å
1037	K	97.3	Very high	95.3	Very high	26 Å²	26	32 Å²	32	11%	0.113	15%	0.154	C	C	.	.	H	α-helix	trans	-57.5	-55.8	176.2	-176.5	173.2	178.6	-178.1	0	111.5	A798 E799 V800 G1005 E1008 R1033 I1034 W1039 K1040 A1041	A798-K1037 HydrophobicContact CB-CB 3.95Å; E799-K1037 VanDerWaalsContact O-CD 3.28Å; E799-K1037 WeakPolarHBondContact O-CD 3.48Å; E799-K1037 WeakPolarHBondContact O-CE 3.44Å; E799-K1037 WeakPolarHBondContact O-CG 3.26Å; V800-K1037 HydrophobicContact CG2-CG 4.49Å; G1005-K1037 WeakPolarHBondContact O-CE 3.4Å; G1005-K1037 PolarHBondContact O-NZ 3.15Å; E1008-K1037 IonicContact OE1-NZ 3.08Å; E1008-K1037 PolarHBondContact OE1-NZ 3.2Å; E1008-K1037 IonicContact OE2-NZ 2.63Å; E1008-K1037 PolarHBondContact OE2-NZ 2.93Å; R1033-K1037 WeakPolarHBondContact O-CB 3.33Å; R1033-K1037 PolarHBondContact O-N 3.28Å; I1034-K1037 WeakPolarHBondContact O-CB 3.43Å; I1034-K1037 PolarHBondContact O-N 3.18Å; K1037-W1039 PolarHBondContact O-N 2.9Å; K1037-K1040 PolarHBondContact O-N 3.28Å; K1037-A1041 WeakPolarHBondContact O-CB 3.44Å; K1037-A1041 PolarHBondContact O-N 2.9Å
1038	V	97.4	Very high	95.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-58.8	-48.9	178.9	172.7	0	0	0	0	110.2	L978 P983 L1004 L1009 I1034 K1040 A1041 R1042	L978-V1038 HydrophobicContact CD2-CG1 4.32Å; P983-V1038 HydrophobicContact CB-CG2 4.26Å; P983-V1038 HydrophobicContact CG-CG2 4.14Å; L1004-V1038 HydrophobicContact CD2-CG1 4.15Å; L1004-V1038 HydrophobicContact CD2-CG2 4.36Å; L1009-V1038 HydrophobicContact CD1-CG2 4.41Å; I1034-V1038 HydrophobicContact CG2-CG2 4.3Å; I1034-V1038 WeakPolarHBondContact O-CB 3.38Å; I1034-V1038 WeakPolarHBondContact O-CG2 3.41Å; I1034-V1038 PolarHBondContact O-N 2.95Å; V1038-K1040 VanDerWaalsContact C-N 3.31Å; V1038-K1040 PolarHBondContact O-N 3.4Å; V1038-A1041 PolarHBondContact O-N 3.11Å; V1038-R1042 WeakPolarHBondContact O-CG 3.29Å; V1038-R1042 PolarHBondContact O-N 3.48Å
1039	W	96.1	Very high	95.6	Very high	22 Å²	22	29.1 Å²	29.1	8%	0.083	14%	0.137	C	C	.	.	H	α-helix	trans	-54.6	-44.4	180	179.8	-95.9	0	0	0	112.9	S755 R757 R1035 A1036 K1037 R1042	S755-W1039 WeakPolarHBondContact O-CZ2 3.46Å; R757-W1039 HydrophobicContact CB-CH2 3.68Å; R757-W1039 HydrophobicContact CB-CZ2 3.97Å; R757-W1039 VanDerWaalsContact CD-CH2 3.45Å; R757-W1039 HydrophobicContact CG-CH2 3.48Å; R757-W1039 VanDerWaalsContact CG-CH2 3.48Å; R757-W1039 HydrophobicContact CG-CZ2 3.55Å; R757-W1039 HydrophobicContact CG-CZ3 4.1Å; R1035-W1039 WeakPolarHBondContact O-CB 3.49Å; R1035-W1039 PolarHBondContact O-N 3.4Å; A1036-W1039 PolarHBondContact O-N 2.6Å; K1037-W1039 PolarHBondContact O-N 2.9Å; W1039-R1042 VanDerWaalsContact CD2-NH2 3.25Å; W1039-R1042 VanDerWaalsContact CE3-CZ 3.44Å; W1039-R1042 VanDerWaalsContact CH2-NH2 3.27Å; W1039-R1042 VanDerWaalsContact CZ3-CZ 3.42Å; W1039-R1042 PolarHBondContact O-NE 3.08Å; W1039-R1042 PolarHBondContact O-NH2 3.24Å
1040	K	96.4	Very high	95.9	Very high	69 Å²	69	24.7 Å²	24.7	30%	0.3	11%	0.113	S	C	.	.	H	α-helix	trans	-78.2	-38.9	-179.2	-172.5	59.7	176.9	175.7	0	112.6	V800 T811 V813 A1036 K1037 V1038 R1042 T1043 T1044	V800-K1040 HydrophobicContact CG1-CB 4.31Å; V800-K1040 HydrophobicContact CG1-CG 4.09Å; V800-K1040 HydrophobicContact CG2-CB 3.97Å; V800-K1040 HydrophobicContact CG2-CG 4.08Å; T811-K1040 HydrophobicContact CG2-CD 4.3Å; T811-K1040 HydrophobicContact CG2-CG 3.96Å; V813-K1040 HydrophobicContact CG2-CB 3.82Å; V813-K1040 HydrophobicContact CG2-CG 4.29Å; A1036-K1040 PolarHBondContact O-N 2.87Å; K1037-K1040 PolarHBondContact O-N 3.28Å; V1038-K1040 VanDerWaalsContact C-N 3.31Å; V1038-K1040 PolarHBondContact O-N 3.4Å; K1040-R1042 PolarHBondContact O-N 3.21Å; K1040-T1043 PolarHBondContact O-N 3.38Å; K1040-T1043 PolarHBondContact O-OG1 3.48Å; K1040-T1044 HydrophobicContact CD-CG2 4.25Å; K1040-T1044 HydrophobicContact CG-CG2 4.21Å; K1040-T1044 PolarHBondContact O-OG1 3.11Å
1041	A	96.8	Very high	96	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.8	-28.4	-178	0	0	0	0	0	113.5	V800 L1004 K1037 V1038 T1043 T1044 T1045	V800-A1041 HydrophobicContact CG1-CB 4.07Å; L1004-A1041 HydrophobicContact CD1-CB 3.5Å; L1004-A1041 VanDerWaalsContact CD1-CB 3.5Å; L1004-A1041 HydrophobicContact CG-CB 3.72Å; L1004-A1041 WeakPolarHBondContact O-CB 3.44Å; K1037-A1041 WeakPolarHBondContact O-CB 3.44Å; K1037-A1041 PolarHBondContact O-N 2.9Å; V1038-A1041 PolarHBondContact O-N 3.11Å; A1041-T1043 PolarHBondContact O-N 3.44Å; A1041-T1043 VanDerWaalsContact O-N 3.13Å; A1041-T1044 WeakPolarHBondContact CA-OG1 3.43Å; A1041-T1044 PolarHBondContact O-N 3Å; A1041-T1045 HydrophobicContact CB-CG2 3.98Å; A1041-T1045 WeakPolarHBondContact O-CB 3.32Å; A1041-T1045 WeakPolarHBondContact O-CG2 3.37Å; A1041-T1045 PolarHBondContact O-N 3.36Å; A1041-T1045 PolarHBondContact O-OG1 3.49Å
1042	R	96.1	Very high	96.1	Very high	3 Å²	3	31.6 Å²	31.6	1%	0.011	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-37.1	175.4	-67	178.3	-56.1	151	17	113.7	L754 S755 L978 W979 V1038 W1039 K1040 F1048	L754-R1042 PolarHBondContact O-NH1 2.73Å; S755-R1042 PolarHBondContact O-NH2 3.27Å; L978-R1042 WeakPolarHBondContact O-CD 3.49Å; L978-R1042 WeakPolarHBondContact O-CG 3.47Å; W979-R1042 HydrophobicContact CE3-CB 4.02Å; W979-R1042 HydrophobicContact CE3-CG 4.37Å; W979-R1042 HydrophobicContact CZ3-CB 3.98Å; W979-R1042 WeakPolarHBondContact O-CD 3.4Å; W979-R1042 PolarHBondContact O-NH1 3.15Å; V1038-R1042 WeakPolarHBondContact O-CG 3.29Å; V1038-R1042 PolarHBondContact O-N 3.48Å; W1039-R1042 VanDerWaalsContact CD2-NH2 3.25Å; W1039-R1042 VanDerWaalsContact CE3-CZ 3.44Å; W1039-R1042 VanDerWaalsContact CH2-NH2 3.27Å; W1039-R1042 VanDerWaalsContact CZ3-CZ 3.42Å; W1039-R1042 PolarHBondContact O-NE 3.08Å; W1039-R1042 PolarHBondContact O-NH2 3.24Å; K1040-R1042 PolarHBondContact O-N 3.21Å; R1042-F1048 HydrophobicContact CB-CD2 4.42Å; R1042-F1048 HydrophobicContact CB-CE2 4.46Å; R1042-F1048 HydrophobicContact CG-CE2 4.36Å; R1042-F1048 WeakPolarHBondContact O-CD2 3.43Å
1043	T	95.3	Very high	96.3	Very high	64 Å²	64	29.5 Å²	29.5	39%	0.393	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-2.8	-173.2	61.6	0	0	0	0	113.3	W979 K1040 A1041	W979-T1043 HydrophobicContact CH2-CG2 4.34Å; K1040-T1043 PolarHBondContact O-N 3.38Å; K1040-T1043 PolarHBondContact O-OG1 3.48Å; A1041-T1043 PolarHBondContact O-N 3.44Å; A1041-T1043 VanDerWaalsContact O-N 3.13Å
1044	T	95.8	Very high	96.6	Very high	22 Å²	22	23.2 Å²	23.2	14%	0.135	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	-19	-178.5	61.6	0	0	0	0	112.7	V800 V801 H802 G803 K1040 A1041	V800-T1044 VanDerWaalsContact CG1-OG1 3.24Å; V800-T1044 WeakPolarHBondContact CG1-OG1 3.44Å; V801-T1044 WeakPolarHBondContact O-CB 3.35Å; V801-T1044 PolarHBondContact O-OG1 3.13Å; H802-T1044 CarbonylContact C-O 3.55Å; H802-T1044 WeakPolarHBondContact CA-O 3.48Å; G803-T1044 PolarHBondContact N-O 3.07Å; K1040-T1044 HydrophobicContact CD-CG2 4.25Å; K1040-T1044 HydrophobicContact CG-CG2 4.21Å; K1040-T1044 PolarHBondContact O-OG1 3.11Å; A1041-T1044 WeakPolarHBondContact CA-OG1 3.43Å; A1041-T1044 PolarHBondContact O-N 3Å
1045	T	96.2	Very high	96.7	Very high	7 Å²	7	25.3 Å²	25.3	4%	0.043	13%	0.125	C	C	.	.	S	Bend	trans	-97.9	172.7	179.6	66.2	0	0	0	0	112	V801 A1041 L1047	V801-T1045 HydrophobicContact CB-CG2 3.93Å; V801-T1045 HydrophobicContact CG1-CG2 4.22Å; V801-T1045 VanDerWaalsContact O-CG2 3.29Å; V801-T1045 WeakPolarHBondContact O-CG2 3.32Å; A1041-T1045 HydrophobicContact CB-CG2 3.98Å; A1041-T1045 WeakPolarHBondContact O-CB 3.32Å; A1041-T1045 WeakPolarHBondContact O-CG2 3.37Å; A1041-T1045 PolarHBondContact O-N 3.36Å; A1041-T1045 PolarHBondContact O-OG1 3.49Å; T1045-L1047 VanDerWaalsContact C-N 3.31Å; T1045-L1047 PolarHBondContact O-N 2.88Å
1046	T	94.7	Very high	96.8	Very high	7 Å²	7	25.7 Å²	25.7	4%	0.043	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-80.8	-6.8	-179.9	53	0	0	0	0	114.2	H740 P804 F1048 D1049 Q1052	H740-T1046 WeakPolarHBondContact CB-OG1 3.47Å; H740-T1046 PolarHBondContact CD2-OG1 3.41Å; P804-T1046 HydrophobicContact CB-CG2 3.97Å; T1046-F1048 VanDerWaalsContact C-N 3.25Å; T1046-F1048 PolarHBondContact O-N 3.24Å; T1046-D1049 PolarHBondContact O-N 3.21Å; T1046-Q1052 HydrophobicContact CG2-CG 3.96Å
1047	L	97.2	Very high	96.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-60.2	-32.5	-174.4	-177.3	61.6	0	0	0	113.6	T741 I744 G745 M975 L978 Q1000 A1003 L1004 T1045	T741-L1047 HydrophobicContact CG2-CD1 3.99Å; I744-L1047 WeakPolarHBondContact CD1-O 3.4Å; G745-L1047 PolarHBondContact N-O 2.93Å; M975-L1047 HydrophobicContact CE-CD1 3.63Å; M975-L1047 HydrophobicContact CE-CD2 4.36Å; M975-L1047 HydrophobicContact CE-CG 3.74Å; M975-L1047 HydrophobicContact SD-CD1 3.78Å; M975-L1047 HydrophobicContact SD-CD2 4.12Å; M975-L1047 HydrophobicContact SD-CG 4.07Å; L978-L1047 HydrophobicContact CD1-CD2 3.95Å; Q1000-L1047 HydrophobicContact CB-CD1 4.33Å; Q1000-L1047 HydrophobicContact CB-CD2 4.43Å; Q1000-L1047 HydrophobicContact CG-CD1 4.48Å; A1003-L1047 HydrophobicContact CB-CB 4.36Å; A1003-L1047 HydrophobicContact CB-CD1 4.1Å; L1004-L1047 HydrophobicContact CB-CD2 4.03Å; L1004-L1047 HydrophobicContact CD1-CD2 4.04Å; L1004-L1047 HydrophobicContact CG-CD2 4.49Å; T1045-L1047 VanDerWaalsContact C-N 3.31Å; T1045-L1047 PolarHBondContact O-N 2.88Å
1048	F	97.7	Very high	97	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-118	15.1	177.6	-58.2	-79.5	0	0	0	112.6	G745 H747 M975 L978 W979 R1042 T1046 V1050	G745-F1048 WeakPolarHBondContact O-CA 3.43Å; H747-F1048 HydrophobicContact CB-CD1 3.77Å; H747-F1048 HydrophobicContact CB-CE1 3.87Å; H747-F1048 AromaticContact CG-CE1 3.71Å; H747-F1048 AromaticContact ND1-CD1 3.87Å; H747-F1048 AromaticContact ND1-CE1 3.58Å; M975-F1048 HydrophobicContact CB-CE1 4.34Å; M975-F1048 HydrophobicContact CE-CD1 4.01Å; M975-F1048 HydrophobicContact CE-CE1 3.59Å; M975-F1048 HydrophobicContact CE-CZ 4.09Å; M975-F1048 HydrophobicContact SD-CE1 4.43Å; M975-F1048 HydrophobicContact SD-CZ 4.48Å; L978-F1048 HydrophobicContact CB-CZ 4.23Å; W979-F1048 HydrophobicContact CB-CE1 4.01Å; W979-F1048 HydrophobicContact CB-CZ 3.86Å; W979-F1048 HydrophobicContact CE3-CB 4.31Å; W979-F1048 AromaticContact CE3-CD1 3.91Å; W979-F1048 HydrophobicContact CE3-CD1 3.91Å; W979-F1048 AromaticContact CE3-CD2 3.75Å; W979-F1048 HydrophobicContact CE3-CD2 3.75Å; W979-F1048 HydrophobicContact CE3-CE1 4.09Å; W979-F1048 AromaticContact CE3-CE2 3.95Å; W979-F1048 HydrophobicContact CE3-CE2 3.95Å; W979-F1048 AromaticContact CE3-CG 3.73Å; W979-F1048 HydrophobicContact CE3-CG 3.73Å; W979-F1048 HydrophobicContact CE3-CZ 4.12Å; W979-F1048 HydrophobicContact CZ3-CB 4.08Å; W979-F1048 HydrophobicContact CZ3-CD2 4.11Å; W979-F1048 AromaticContact CZ3-CG 3.99Å; W979-F1048 HydrophobicContact CZ3-CG 3.99Å; R1042-F1048 HydrophobicContact CB-CD2 4.42Å; R1042-F1048 HydrophobicContact CB-CE2 4.46Å; R1042-F1048 HydrophobicContact CG-CE2 4.36Å; R1042-F1048 WeakPolarHBondContact O-CD2 3.43Å; T1046-F1048 VanDerWaalsContact C-N 3.25Å; T1046-F1048 PolarHBondContact O-N 3.24Å; F1048-V1050 PolarHBondContact O-N 3.22Å
1049	D	97.1	Very high	97	Very high	53 Å²	53	29.3 Å²	29.3	28%	0.283	14%	0.143	S	C	.	.			trans	-95.8	84.5	177.5	-171.9	-13.9	0	0	0	110.3	T1046 K1051 Q1052 Y1053	T1046-D1049 PolarHBondContact O-N 3.21Å; D1049-K1051 PolarHBondContact O-N 3.26Å; D1049-K1051 WeakPolarHBondContact OD1-CB 3.36Å; D1049-K1051 PolarHBondContact OD1-N 2.92Å; D1049-K1051 VanDerWaalsContact OD1-N 3.15Å; D1049-Q1052 HydrophobicContact CB-CB 4.12Å; D1049-Q1052 VanDerWaalsContact CG-CB 3.48Å; D1049-Q1052 PolarHBondContact O-N 2.77Å; D1049-Q1052 PolarHBondContact OD1-N 2.74Å; D1049-Q1052 WeakPolarHBondContact OD2-CB 3.41Å; D1049-Y1053 WeakPolarHBondContact O-CB 3.45Å; D1049-Y1053 PolarHBondContact O-N 3.02Å
1050	V	97.9	Very high	97.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.1	-31.8	179.7	-179.3	0	0	0	0	112.2	V616 M619 I744 D746 F1048 Y1053 C1054	V616-V1050 HydrophobicContact CB-CG1 4.44Å; V616-V1050 HydrophobicContact CG2-CG1 3.64Å; M619-V1050 HydrophobicContact CB-CG1 4.32Å; M619-V1050 HydrophobicContact CG-CG1 4.4Å; M619-V1050 HydrophobicContact SD-CB 3.66Å; M619-V1050 HydrophobicContact SD-CG1 3.53Å; M619-V1050 VanDerWaalsContact SD-CG1 3.53Å; I744-V1050 HydrophobicContact CD1-CG2 4.26Å; I744-V1050 HydrophobicContact CG1-CG2 4.01Å; D746-V1050 HydrophobicContact CB-CG2 4.27Å; D746-V1050 WeakPolarHBondContact OD1-CG2 3.42Å; F1048-V1050 PolarHBondContact O-N 3.22Å; V1050-Y1053 WeakPolarHBondContact O-CB 3.4Å; V1050-Y1053 PolarHBondContact O-N 3.33Å; V1050-C1054 PolarHBondContact O-N 3.38Å; V1050-C1054 PolarHBondContact O-SG 3.38Å; V1050-C1054 VanDerWaalsContact O-SG 3.35Å
1051	K	96.7	Very high	97.2	Very high	150 Å²	150	25.1 Å²	25.1	65%	0.652	13%	0.126	S	C	*	.	H	α-helix	trans	-68.1	-49.9	-179.7	-178	179	178.4	-178.8	0	110.7	D1049 Y1053 C1054 V1055	D1049-K1051 PolarHBondContact O-N 3.26Å; D1049-K1051 WeakPolarHBondContact OD1-CB 3.36Å; D1049-K1051 PolarHBondContact OD1-N 2.92Å; D1049-K1051 VanDerWaalsContact OD1-N 3.15Å; K1051-Y1053 VanDerWaalsContact C-N 3.28Å; K1051-Y1053 PolarHBondContact O-N 3.23Å; K1051-C1054 PolarHBondContact O-N 3.38Å; K1051-V1055 PolarHBondContact O-N 3.03Å
1052	Q	96.7	Very high	97.3	Very high	41 Å²	41	27.5 Å²	27.5	19%	0.192	14%	0.136	C	C	.	.	H	α-helix	trans	-62.1	-40.2	174.9	-177.8	55.5	52.3	0	0	110.9	P804 T1046 D1049 C1054 V1055 D1056	P804-Q1052 HydrophobicContact CB-CG 4.17Å; P804-Q1052 HydrophobicContact CG-CG 4.41Å; T1046-Q1052 HydrophobicContact CG2-CG 3.96Å; D1049-Q1052 HydrophobicContact CB-CB 4.12Å; D1049-Q1052 VanDerWaalsContact CG-CB 3.48Å; D1049-Q1052 PolarHBondContact O-N 2.77Å; D1049-Q1052 PolarHBondContact OD1-N 2.74Å; D1049-Q1052 WeakPolarHBondContact OD2-CB 3.41Å; Q1052-C1054 PolarHBondContact O-N 3.43Å; Q1052-V1055 WeakPolarHBondContact O-CB 3.28Å; Q1052-V1055 PolarHBondContact O-N 3.06Å; Q1052-D1056 VanDerWaalsContact NE2-CG 3.34Å; Q1052-D1056 PolarHBondContact NE2-OD1 2.99Å; Q1052-D1056 PolarHBondContact NE2-OD2 2.95Å; Q1052-D1056 PolarHBondContact O-N 3.49Å; Q1052-D1056 VanDerWaalsContact O-N 3.11Å
1053	Y	98	Very high	97.4	Very high	10 Å²	10	31 Å²	31	4%	0.039	15%	0.151	C	C	.	.	H	α-helix	trans	-57.6	-44.6	176.6	-172.3	-89.8	0	0	0	112.7	V616 W701 M738 T741 F742 I744 D1049 V1050 K1051 V1055 D1056 M1057	V616-Y1053 HydrophobicContact CG2-CD1 4.47Å; W701-Y1053 HydrophobicContact CH2-CE1 4.4Å; W701-Y1053 AromaticContact CZ2-CE1 3.65Å; W701-Y1053 HydrophobicContact CZ2-CE1 3.65Å; W701-Y1053 AromaticContact CZ2-CZ 3.9Å; W701-Y1053 WeakPolarHBondContact CZ2-OH 3.48Å; W701-Y1053 PolarHBondContact NE1-OH 3.42Å; M738-Y1053 HydrophobicContact CE-CD1 4.47Å; M738-Y1053 HydrophobicContact CE-CD2 3.85Å; M738-Y1053 HydrophobicContact CE-CE1 4.2Å; M738-Y1053 HydrophobicContact CE-CE2 3.57Å; M738-Y1053 HydrophobicContact CE-CG 4.29Å; T741-Y1053 WeakPolarHBondContact O-CE2 3.31Å; F742-Y1053 PolarHBondContact O-OH 2.93Å; I744-Y1053 HydrophobicContact CB-CD1 4Å; I744-Y1053 HydrophobicContact CB-CD2 3.7Å; I744-Y1053 HydrophobicContact CB-CE1 4.03Å; I744-Y1053 HydrophobicContact CB-CE2 3.69Å; I744-Y1053 HydrophobicContact CB-CG 3.86Å; I744-Y1053 HydrophobicContact CD1-CD2 3.8Å; I744-Y1053 HydrophobicContact CD1-CG 3.76Å; I744-Y1053 HydrophobicContact CG1-CD1 4.01Å; I744-Y1053 HydrophobicContact CG1-CD2 3.93Å; I744-Y1053 HydrophobicContact CG1-CE2 4.43Å; I744-Y1053 HydrophobicContact CG1-CG 3.7Å; I744-Y1053 HydrophobicContact CG2-CD1 4.16Å; I744-Y1053 HydrophobicContact CG2-CE1 3.9Å; I744-Y1053 HydrophobicContact CG2-CE2 4.32Å; D1049-Y1053 WeakPolarHBondContact O-CB 3.45Å; D1049-Y1053 PolarHBondContact O-N 3.02Å; V1050-Y1053 WeakPolarHBondContact O-CB 3.4Å; V1050-Y1053 PolarHBondContact O-N 3.33Å; K1051-Y1053 VanDerWaalsContact C-N 3.28Å; K1051-Y1053 PolarHBondContact O-N 3.23Å; Y1053-V1055 PolarHBondContact O-N 3.35Å; Y1053-D1056 PolarHBondContact O-N 3.48Å; Y1053-M1057 HydrophobicContact CE1-CB 4.49Å; Y1053-M1057 HydrophobicContact CE1-CE 4.19Å; Y1053-M1057 HydrophobicContact CE1-SD 3.73Å; Y1053-M1057 WeakPolarHBondContact O-CB 3.49Å; Y1053-M1057 PolarHBondContact O-N 3.31Å
1054	C	98.5	Very high	97.5	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.6	-41.6	176.3	-73.4	0	0	0	0	112.4	V616 V1050 K1051 Q1052 D1056 M1057 E1058	V616-C1054 PolarHBondContact O-SG 3.31Å; V1050-C1054 PolarHBondContact O-N 3.38Å; V1050-C1054 PolarHBondContact O-SG 3.38Å; V1050-C1054 VanDerWaalsContact O-SG 3.35Å; K1051-C1054 PolarHBondContact O-N 3.38Å; Q1052-C1054 PolarHBondContact O-N 3.43Å; C1054-D1056 VanDerWaalsContact C-N 3.3Å; C1054-D1056 PolarHBondContact O-N 3.24Å; C1054-M1057 PolarHBondContact O-N 3.3Å; C1054-E1058 WeakPolarHBondContact O-CB 3.5Å; C1054-E1058 WeakPolarHBondContact O-CG 3.31Å; C1054-E1058 PolarHBondContact O-N 3.05Å
1055	V	97.9	Very high	97.6	Very high	51 Å²	51	27 Å²	27	31%	0.309	13%	0.127	S	C	.	.	H	α-helix	trans	-59.2	-43.3	176.7	170.8	0	0	0	0	111.1	K1051 Q1052 Y1053 K1059	K1051-V1055 PolarHBondContact O-N 3.03Å; Q1052-V1055 WeakPolarHBondContact O-CB 3.28Å; Q1052-V1055 PolarHBondContact O-N 3.06Å; Y1053-V1055 PolarHBondContact O-N 3.35Å; V1055-K1059 WeakPolarHBondContact O-CG 3.43Å; V1055-K1059 PolarHBondContact O-N 3.37Å
1056	D	97.4	Very high	97.7	Very high	13 Å²	13	32.4 Å²	32.4	7%	0.07	15%	0.151	C	C	.	.	H	α-helix	trans	-73.6	-36.4	-179.2	-65.2	-32.8	0	0	0	112.1	M738 P739 H740 Q1052 Y1053 C1054 K1059 L1060	M738-D1056 HydrophobicContact CE-CB 3.96Å; P739-D1056 HydrophobicContact CG-CB 3.8Å; H740-D1056 IonicContact CD2-OD2 3.11Å; H740-D1056 IonicContact NE2-OD2 3.69Å; Q1052-D1056 VanDerWaalsContact NE2-CG 3.34Å; Q1052-D1056 PolarHBondContact NE2-OD1 2.99Å; Q1052-D1056 PolarHBondContact NE2-OD2 2.95Å; Q1052-D1056 PolarHBondContact O-N 3.49Å; Q1052-D1056 VanDerWaalsContact O-N 3.11Å; Y1053-D1056 PolarHBondContact O-N 3.48Å; C1054-D1056 VanDerWaalsContact C-N 3.3Å; C1054-D1056 PolarHBondContact O-N 3.24Å; D1056-K1059 WeakPolarHBondContact O-CB 3.32Å; D1056-K1059 PolarHBondContact O-N 3.06Å; D1056-K1059 IonicContact OD1-NZ 3.96Å; D1056-K1059 PolarHBondContact OD1-NZ 3.13Å; D1056-L1060 PolarHBondContact O-N 3.23Å
1057	M	97.9	Very high	97.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-67.1	-37.3	175.6	-163.2	168.5	57.5	0	0	111.7	Y599 V616 H620 W701 M738 Y1053 C1054 L1060 Y1061	Y599-M1057 WeakPolarHBondContact OH-CE 3.39Å; V616-M1057 HydrophobicContact CG1-CE 3.5Å; H620-M1057 WeakPolarHBondContact CE1-CE 3.27Å; H620-M1057 VanDerWaalsContact NE2-CE 3.27Å; H620-M1057 WeakPolarHBondContact NE2-CE 3.45Å; W701-M1057 HydrophobicContact CH2-SD 4.31Å; W701-M1057 HydrophobicContact CZ2-SD 4.16Å; M738-M1057 HydrophobicContact CE-CB 3.94Å; M738-M1057 HydrophobicContact SD-CB 4.2Å; M738-M1057 HydrophobicContact SD-CG 4.36Å; Y1053-M1057 HydrophobicContact CE1-CB 4.49Å; Y1053-M1057 HydrophobicContact CE1-CE 4.19Å; Y1053-M1057 HydrophobicContact CE1-SD 3.73Å; Y1053-M1057 WeakPolarHBondContact O-CB 3.49Å; Y1053-M1057 PolarHBondContact O-N 3.31Å; C1054-M1057 PolarHBondContact O-N 3.3Å; M1057-L1060 WeakPolarHBondContact O-CB 3.11Å; M1057-L1060 PolarHBondContact O-N 3.36Å; M1057-Y1061 HydrophobicContact CE-CE2 4.1Å; M1057-Y1061 HydrophobicContact CG-CD2 4.22Å; M1057-Y1061 HydrophobicContact CG-CE1 4.34Å; M1057-Y1061 HydrophobicContact CG-CE2 3.61Å; M1057-Y1061 WeakPolarHBondContact O-CD2 3.2Å; M1057-Y1061 PolarHBondContact O-N 2.94Å; M1057-Y1061 HydrophobicContact SD-CE2 4.17Å; M1057-Y1061 PolarHBondContact SD-OH 3.45Å
1058	E	98.3	Very high	97.8	Very high	2 Å²	2	38 Å²	38	1%	0.009	17%	0.172	C	C	.	.	H	α-helix	trans	-60.7	-46.4	171.9	-74.1	162.8	-158.4	0	0	111.9	H620 D621 R624 V625 C1054 L1060 Y1061 F1062	H620-E1058 VanDerWaalsContact CA-OE1 3.28Å; H620-E1058 WeakPolarHBondContact CA-OE1 3.41Å; H620-E1058 IonicContact CG-OE1 3.57Å; H620-E1058 WeakPolarHBondContact ND1-CG 3.34Å; H620-E1058 IonicContact ND1-OE1 2.73Å; H620-E1058 PolarHBondContact ND1-OE1 2.71Å; D621-E1058 PolarHBondContact N-OE1 3Å; R624-E1058 IonicContact CZ-OE2 3.26Å; R624-E1058 IonicContact NH1-OE2 3.53Å; R624-E1058 PolarHBondContact NH1-OE2 3.08Å; V625-E1058 HydrophobicContact CG1-CG 3.98Å; V625-E1058 HydrophobicContact CG2-CG 4.34Å; C1054-E1058 WeakPolarHBondContact O-CB 3.5Å; C1054-E1058 WeakPolarHBondContact O-CG 3.31Å; C1054-E1058 PolarHBondContact O-N 3.05Å; E1058-L1060 PolarHBondContact O-N 3.41Å; E1058-Y1061 PolarHBondContact O-N 3.17Å; E1058-F1062 WeakPolarHBondContact O-CD2 3.37Å; E1058-F1062 PolarHBondContact O-N 2.98Å
1059	K	97.9	Very high	97.7	Very high	100 Å²	100	42 Å²	42	44%	0.435	19%	0.191	S	C	.	.	H	α-helix	trans	-56.5	-43.1	175.3	-67.9	169	-166.9	158	0	110.6	V1055 D1056 F1062 K1063	V1055-K1059 WeakPolarHBondContact O-CG 3.43Å; V1055-K1059 PolarHBondContact O-N 3.37Å; D1056-K1059 WeakPolarHBondContact O-CB 3.32Å; D1056-K1059 PolarHBondContact O-N 3.06Å; D1056-K1059 IonicContact OD1-NZ 3.96Å; D1056-K1059 PolarHBondContact OD1-NZ 3.13Å; K1059-F1062 PolarHBondContact O-N 3.49Å; K1059-K1063 WeakPolarHBondContact O-CG 3.43Å; K1059-K1063 PolarHBondContact O-N 3.03Å
1060	L	98.4	Very high	97.7	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-63.8	-45.1	178.4	-170.2	62.7	0	0	0	111.9	I717 A736 M738 D1056 M1057 E1058 F1062 K1063 M1064 I1077	I717-L1060 HydrophobicContact CD1-CD2 4.39Å; I717-L1060 HydrophobicContact CG1-CD2 4.1Å; I717-L1060 HydrophobicContact CG2-CD2 4.11Å; A736-L1060 HydrophobicContact CB-CD1 4.07Å; A736-L1060 HydrophobicContact CB-CD2 4.04Å; A736-L1060 HydrophobicContact CB-CG 4.29Å; M738-L1060 HydrophobicContact CG-CD2 4.37Å; M738-L1060 HydrophobicContact SD-CD2 3.77Å; D1056-L1060 PolarHBondContact O-N 3.23Å; M1057-L1060 WeakPolarHBondContact O-CB 3.11Å; M1057-L1060 PolarHBondContact O-N 3.36Å; E1058-L1060 PolarHBondContact O-N 3.41Å; L1060-F1062 PolarHBondContact O-N 3.14Å; L1060-K1063 WeakPolarHBondContact O-CB 3.15Å; L1060-K1063 PolarHBondContact O-N 3.48Å; L1060-M1064 HydrophobicContact CD2-CE 4.26Å; L1060-M1064 HydrophobicContact CG-CE 4.05Å; L1060-M1064 WeakPolarHBondContact O-CG 3.3Å; L1060-M1064 PolarHBondContact O-N 3.07Å; L1060-I1077 HydrophobicContact CD1-CB 4.26Å; L1060-I1077 HydrophobicContact CD1-CG2 3.7Å
1061	Y	98.5	Very high	97.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.3	-42.8	174.7	-71	-33.1	0	0	0	112.9	V597 Y599 I674 V676 I717 M1057 E1058 K1063 M1064 W1065	V597-Y1061 HydrophobicContact CG1-CD2 4.4Å; V597-Y1061 HydrophobicContact CG1-CE2 3.85Å; V597-Y1061 HydrophobicContact CG2-CD2 3.92Å; V597-Y1061 HydrophobicContact CG2-CE2 4.17Å; V597-Y1061 HydrophobicContact CG2-CG 4.36Å; Y599-Y1061 WeakPolarHBondContact CE1-OH 3.49Å; Y599-Y1061 WeakPolarHBondContact OH-CE2 3.43Å; Y599-Y1061 PolarHBondContact OH-OH 2.93Å; I674-Y1061 HydrophobicContact CD1-CD1 3.72Å; I674-Y1061 HydrophobicContact CD1-CG 3.95Å; I674-Y1061 WeakPolarHBondContact CD1-O 3.34Å; I674-Y1061 HydrophobicContact CG2-CD1 4.05Å; I674-Y1061 HydrophobicContact CG2-CE1 4.08Å; V676-Y1061 HydrophobicContact CG2-CE1 4.23Å; I717-Y1061 HydrophobicContact CD1-CE1 3.87Å; M1057-Y1061 HydrophobicContact CE-CE2 4.1Å; M1057-Y1061 HydrophobicContact CG-CD2 4.22Å; M1057-Y1061 HydrophobicContact CG-CE1 4.34Å; M1057-Y1061 HydrophobicContact CG-CE2 3.61Å; M1057-Y1061 WeakPolarHBondContact O-CD2 3.2Å; M1057-Y1061 PolarHBondContact O-N 2.94Å; M1057-Y1061 HydrophobicContact SD-CE2 4.17Å; M1057-Y1061 PolarHBondContact SD-OH 3.45Å; E1058-Y1061 PolarHBondContact O-N 3.17Å; Y1061-K1063 VanDerWaalsContact C-N 3.32Å; Y1061-K1063 PolarHBondContact O-N 3.23Å; Y1061-M1064 HydrophobicContact CD1-SD 4.07Å; Y1061-M1064 WeakPolarHBondContact O-CB 3.47Å; Y1061-M1064 PolarHBondContact O-N 3.41Å; Y1061-W1065 WeakPolarHBondContact O-CB 3.44Å; Y1061-W1065 PolarHBondContact O-N 3.04Å
1062	F	98.1	Very high	97.7	Very high	49 Å²	49	42.7 Å²	42.7	22%	0.215	22%	0.222	C	C	.	.	H	α-helix	trans	-64.6	-35	175.1	-83.2	-73.2	0	0	0	112.4	L595 R624 V625 E1058 K1059 L1060 W1065 H1066	L595-F1062 HydrophobicContact CB-CE1 4.11Å; L595-F1062 HydrophobicContact CB-CZ 4.04Å; L595-F1062 HydrophobicContact CD2-CD1 4.46Å; R624-F1062 HydrophobicContact CB-CE2 4.09Å; R624-F1062 HydrophobicContact CB-CZ 4.23Å; R624-F1062 VanDerWaalsContact NH2-CD2 3.32Å; V625-F1062 HydrophobicContact CG1-CE2 4.12Å; E1058-F1062 WeakPolarHBondContact O-CD2 3.37Å; E1058-F1062 PolarHBondContact O-N 2.98Å; K1059-F1062 PolarHBondContact O-N 3.49Å; L1060-F1062 PolarHBondContact O-N 3.14Å; F1062-W1065 PolarHBondContact O-N 3.42Å; F1062-H1066 VanDerWaalsContact O-CB 3.22Å; F1062-H1066 WeakPolarHBondContact O-CB 3.36Å; F1062-H1066 PolarHBondContact O-N 3.34Å
1063	K	98.3	Very high	97.7	Very high	77 Å²	77	45.1 Å²	45.1	34%	0.335	24%	0.241	S	C	.	.	H	α-helix	trans	-63.3	-44.6	172.2	-70.7	177.2	-177.7	176.4	0	111.5	K1059 L1060 Y1061 R1067 I1077 S1078 S1079	K1059-K1063 WeakPolarHBondContact O-CG 3.43Å; K1059-K1063 PolarHBondContact O-N 3.03Å; L1060-K1063 WeakPolarHBondContact O-CB 3.15Å; L1060-K1063 PolarHBondContact O-N 3.48Å; Y1061-K1063 VanDerWaalsContact C-N 3.32Å; Y1061-K1063 PolarHBondContact O-N 3.23Å; K1063-R1067 WeakPolarHBondContact O-CG 3.48Å; K1063-R1067 PolarHBondContact O-N 3.46Å; K1063-I1077 HydrophobicContact CB-CD1 4.27Å; K1063-I1077 HydrophobicContact CB-CG2 3.96Å; K1063-I1077 HydrophobicContact CD-CG2 3.49Å; K1063-I1077 VanDerWaalsContact CD-CG2 3.49Å; K1063-I1077 HydrophobicContact CG-CG2 4.37Å; K1063-S1078 PolarHBondContact NZ-O 3.07Å; K1063-S1079 PolarHBondContact NZ-OXT 2.84Å
1064	M	98.4	Very high	97.7	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.3	-48.7	175.6	-66.4	170.9	178.6	0	0	111.3	I674 I697 V699 Y715 I717 A736 L1060 Y1061 R1067 Y1068 I1077	I674-M1064 HydrophobicContact CD1-CB 4.2Å; I674-M1064 HydrophobicContact CD1-SD 4.34Å; I697-M1064 HydrophobicContact CD1-CB 4.22Å; V699-M1064 HydrophobicContact CG1-CE 4.28Å; V699-M1064 HydrophobicContact CG2-CE 4.37Å; V699-M1064 HydrophobicContact CG2-SD 3.96Å; Y715-M1064 HydrophobicContact CD1-CE 4.38Å; Y715-M1064 HydrophobicContact CD2-CE 4.38Å; Y715-M1064 HydrophobicContact CD2-CG 4.16Å; Y715-M1064 HydrophobicContact CD2-SD 4.2Å; Y715-M1064 HydrophobicContact CE1-CG 4.48Å; Y715-M1064 HydrophobicContact CE2-CB 4.27Å; Y715-M1064 HydrophobicContact CE2-CG 4.04Å; Y715-M1064 HydrophobicContact CG-CE 4Å; Y715-M1064 HydrophobicContact CG-CG 4.46Å; Y715-M1064 HydrophobicContact CG-SD 4.41Å; I717-M1064 HydrophobicContact CD1-CE 4.45Å; I717-M1064 HydrophobicContact CG1-CE 4.03Å; A736-M1064 HydrophobicContact CB-CE 3.3Å; L1060-M1064 HydrophobicContact CD2-CE 4.26Å; L1060-M1064 HydrophobicContact CG-CE 4.05Å; L1060-M1064 WeakPolarHBondContact O-CG 3.3Å; L1060-M1064 PolarHBondContact O-N 3.07Å; Y1061-M1064 HydrophobicContact CD1-SD 4.07Å; Y1061-M1064 WeakPolarHBondContact O-CB 3.47Å; Y1061-M1064 PolarHBondContact O-N 3.41Å; M1064-R1067 PolarHBondContact O-N 3.21Å; M1064-Y1068 PolarHBondContact O-N 3.46Å; M1064-I1077 HydrophobicContact CB-CD1 4.32Å; M1064-I1077 HydrophobicContact CG-CD1 3.58Å
1065	W	98.3	Very high	97.6	Very high	3 Å²	3	50.2 Å²	50.2	1%	0.011	27%	0.272	C	S	.	.	H	α-helix	trans	-62	-46.6	-180	179.1	-102.5	0	0	0	112.1	P586 A588 L589 L595 H673 P696 I697 Y1061 F1062 R1067 Y1068 E1069	P586-W1065 HydrophobicContact CB-CH2 4.42Å; A588-W1065 VanDerWaalsContact C-CZ2 3.41Å; L589-W1065 HydrophobicContact CD2-CD2 4.35Å; L589-W1065 HydrophobicContact CD2-CG 4.21Å; L595-W1065 HydrophobicContact CD1-CB 3.81Å; L595-W1065 HydrophobicContact CD1-CD2 3.72Å; L595-W1065 HydrophobicContact CD1-CE3 4.03Å; L595-W1065 HydrophobicContact CD1-CG 3.59Å; L595-W1065 HydrophobicContact CD2-CB 4.3Å; H673-W1065 HydrophobicContact CB-CD2 4.49Å; H673-W1065 HydrophobicContact CB-CE3 3.68Å; H673-W1065 HydrophobicContact CB-CH2 4.44Å; H673-W1065 HydrophobicContact CB-CZ3 3.64Å; H673-W1065 AromaticContact CD2-CH2 3.39Å; H673-W1065 WeakPolarHBondContact CD2-CH2 3.46Å; H673-W1065 AromaticContact CD2-CZ2 3.88Å; H673-W1065 AromaticContact CD2-CZ3 3.51Å; H673-W1065 AromaticContact CG-CZ3 3.92Å; P696-W1065 HydrophobicContact CG-CZ3 4.25Å; I697-W1065 HydrophobicContact CD1-CE3 4.14Å; Y1061-W1065 WeakPolarHBondContact O-CB 3.44Å; Y1061-W1065 PolarHBondContact O-N 3.04Å; F1062-W1065 PolarHBondContact O-N 3.42Å; W1065-R1067 VanDerWaalsContact C-N 3.26Å; W1065-R1067 PolarHBondContact O-N 3.42Å; W1065-Y1068 AromaticContact CE3-CD1 3.91Å; W1065-Y1068 HydrophobicContact CE3-CD1 3.91Å; W1065-Y1068 AromaticContact CH2-CD1 3.69Å; W1065-Y1068 HydrophobicContact CH2-CD1 3.69Å; W1065-Y1068 AromaticContact CH2-CE1 3.68Å; W1065-Y1068 HydrophobicContact CH2-CE1 3.68Å; W1065-Y1068 HydrophobicContact CZ2-CD1 4.43Å; W1065-Y1068 AromaticContact CZ3-CD1 3.39Å; W1065-Y1068 HydrophobicContact CZ3-CD1 3.39Å; W1065-Y1068 AromaticContact CZ3-CE1 3.65Å; W1065-Y1068 HydrophobicContact CZ3-CE1 3.65Å; W1065-Y1068 HydrophobicContact CZ3-CG 4.42Å; W1065-Y1068 PolarHBondContact O-N 3.43Å; W1065-Y1068 VanDerWaalsContact O-N 3.09Å; W1065-E1069 HydrophobicContact CZ2-CB 4.33Å; W1065-E1069 PolarHBondContact NE1-OE2 2.81Å; W1065-E1069 VanDerWaalsContact NE1-OE2 3.11Å; W1065-E1069 WeakPolarHBondContact O-CB 3.48Å; W1065-E1069 PolarHBondContact O-N 3.4Å
1066	H	96.9	Very high	97.7	Very high	119 Å²	119	50.6 Å²	50.6	55%	0.551	27%	0.27	S	S	*	.	H	α-helix	trans	-58.7	-38.3	-179.4	-179	58.5	0	0	0	112.4	F1062 S1070	F1062-H1066 VanDerWaalsContact O-CB 3.22Å; F1062-H1066 WeakPolarHBondContact O-CB 3.36Å; F1062-H1066 PolarHBondContact O-N 3.34Å; H1066-S1070 VanDerWaalsContact O-CB 3.24Å; H1066-S1070 WeakPolarHBondContact O-CB 3.29Å; H1066-S1070 PolarHBondContact O-N 3.43Å; H1066-S1070 PolarHBondContact O-OG 2.93Å
1067	R	97.5	Very high	97.7	Very high	59 Å²	59	50.6 Å²	50.6	22%	0.223	27%	0.27	C	S	.	.	H	α-helix	trans	-62.4	-49.9	173.8	-70.6	-174	67.2	82.3	2.7	111.7	K1063 M1064 W1065 S1070 G1071 L1072 P1073 D1075	K1063-R1067 WeakPolarHBondContact O-CG 3.48Å; K1063-R1067 PolarHBondContact O-N 3.46Å; M1064-R1067 PolarHBondContact O-N 3.21Å; W1065-R1067 VanDerWaalsContact C-N 3.26Å; W1065-R1067 PolarHBondContact O-N 3.42Å; R1067-S1070 CarbonylContact O-C 3.56Å; R1067-S1070 PolarHBondContact O-N 2.79Å; R1067-G1071 PolarHBondContact O-N 3.07Å; R1067-L1072 HydrophobicContact CB-CB 4.27Å; R1067-L1072 WeakPolarHBondContact O-CB 3.28Å; R1067-L1072 PolarHBondContact O-N 2.97Å; R1067-P1073 PolarHBondContact NE-O 3.13Å; R1067-P1073 PolarHBondContact NH2-O 3.37Å; R1067-D1075 VanDerWaalsContact NH2-CB 3.29Å
1068	Y	97.7	Very high	97.2	Very high	67 Å²	67	54.5 Å²	54.5	26%	0.263	30%	0.297	S	S	.	.	H	α-helix	trans	-61.5	-46.9	179.8	171.4	-93.3	0	0	0	111.9	H585 P586 P696 I697 M1064 W1065 S1070 G1071	H585-Y1068 WeakPolarHBondContact CB-OH 3.41Å; P586-Y1068 VanDerWaalsContact O-CE1 3.25Å; P586-Y1068 WeakPolarHBondContact O-CE1 3.49Å; P586-Y1068 PolarHBondContact O-OH 3.08Å; P696-Y1068 HydrophobicContact CB-CD1 4.45Å; P696-Y1068 HydrophobicContact CB-CD2 3.99Å; P696-Y1068 HydrophobicContact CB-CE1 3.86Å; P696-Y1068 HydrophobicContact CB-CE2 3.33Å; P696-Y1068 WeakPolarHBondContact CB-OH 3.33Å; P696-Y1068 HydrophobicContact CG-CE1 4.07Å; P696-Y1068 HydrophobicContact CG-CE2 4.39Å; I697-Y1068 HydrophobicContact CD1-CG 4.16Å; I697-Y1068 HydrophobicContact CG1-CD2 4.34Å; I697-Y1068 HydrophobicContact CG1-CG 4.16Å; M1064-Y1068 PolarHBondContact O-N 3.46Å; W1065-Y1068 AromaticContact CE3-CD1 3.91Å; W1065-Y1068 HydrophobicContact CE3-CD1 3.91Å; W1065-Y1068 AromaticContact CH2-CD1 3.69Å; W1065-Y1068 HydrophobicContact CH2-CD1 3.69Å; W1065-Y1068 AromaticContact CH2-CE1 3.68Å; W1065-Y1068 HydrophobicContact CH2-CE1 3.68Å; W1065-Y1068 HydrophobicContact CZ2-CD1 4.43Å; W1065-Y1068 AromaticContact CZ3-CD1 3.39Å; W1065-Y1068 HydrophobicContact CZ3-CD1 3.39Å; W1065-Y1068 AromaticContact CZ3-CE1 3.65Å; W1065-Y1068 HydrophobicContact CZ3-CE1 3.65Å; W1065-Y1068 HydrophobicContact CZ3-CG 4.42Å; W1065-Y1068 PolarHBondContact O-N 3.43Å; W1065-Y1068 VanDerWaalsContact O-N 3.09Å; Y1068-S1070 PolarHBondContact O-N 2.72Å; Y1068-G1071 WeakPolarHBondContact O-CA 3.13Å; Y1068-G1071 PolarHBondContact O-N 3.27Å
1069	E	95.9	Very high	95.8	Very high	85 Å²	85	58.4 Å²	58.4	40%	0.397	33%	0.325	S	S	.	.	H	α-helix	trans	-62.6	-31	177.5	-174	170.2	-135	0	0	112	A588 W1065 G1071	A588-E1069 WeakPolarHBondContact CA-OE1 3.26Å; W1065-E1069 HydrophobicContact CZ2-CB 4.33Å; W1065-E1069 PolarHBondContact NE1-OE2 2.81Å; W1065-E1069 VanDerWaalsContact NE1-OE2 3.11Å; W1065-E1069 WeakPolarHBondContact O-CB 3.48Å; W1065-E1069 PolarHBondContact O-N 3.4Å; E1069-G1071 PolarHBondContact O-N 3.13Å
1070	S	96.9	Very high	95.7	Very high	62 Å²	62	56.4 Å²	56.4	43%	0.434	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	2.4	173	-56.2	0	0	0	0	113.9	H1066 R1067 Y1068 L1072	H1066-S1070 VanDerWaalsContact O-CB 3.24Å; H1066-S1070 WeakPolarHBondContact O-CB 3.29Å; H1066-S1070 PolarHBondContact O-N 3.43Å; H1066-S1070 PolarHBondContact O-OG 2.93Å; R1067-S1070 CarbonylContact O-C 3.56Å; R1067-S1070 PolarHBondContact O-N 2.79Å; Y1068-S1070 PolarHBondContact O-N 2.72Å; S1070-L1072 VanDerWaalsContact C-N 3.25Å; S1070-L1072 PolarHBondContact O-N 3.07Å
1071	G	96	Very high	95.5	Very high	69 Å²	69	59.1 Å²	59.1	71%	0.711	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	17.9	-177.8	0	0	0	0	0	114.4	R1067 Y1068 E1069	R1067-G1071 PolarHBondContact O-N 3.07Å; Y1068-G1071 WeakPolarHBondContact O-CA 3.13Å; Y1068-G1071 PolarHBondContact O-N 3.27Å; E1069-G1071 PolarHBondContact O-N 3.13Å
1072	L	97.5	Very high	95.3	Very high	86 Å²	86	62.4 Å²	62.4	45%	0.45	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-86.4	142.6	178.7	-61	174.5	0	0	0	110.7	R1067 S1070	R1067-L1072 HydrophobicContact CB-CB 4.27Å; R1067-L1072 WeakPolarHBondContact O-CB 3.28Å; R1067-L1072 PolarHBondContact O-N 2.97Å; S1070-L1072 VanDerWaalsContact C-N 3.25Å; S1070-L1072 PolarHBondContact O-N 3.07Å
1073	P	96.7	Very high	95.2	Very high	91 Å²	91	63.2 Å²	63.2	59%	0.591	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-67.6	160	174.2	29.9	-35.4	0	0	0	111.2	R1067 D1075	R1067-P1073 PolarHBondContact NE-O 3.13Å; R1067-P1073 PolarHBondContact NH2-O 3.37Å; P1073-D1075 PolarHBondContact O-N 3.44Å
1074	P	97.8	Very high	95	Very high	50 Å²	50	62.3 Å²	62.3	33%	0.325	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-54.4	133	170.1	-25.5	35	0	0	0	111.9	D714 Y715 K734	D714-P1074 HydrophobicContact CB-CB 4.2Å; D714-P1074 HydrophobicContact CB-CG 3.85Å; Y715-P1074 HydrophobicContact CE1-CB 4.24Å; Y715-P1074 HydrophobicContact CE2-CB 4.03Å; Y715-P1074 HydrophobicContact CE2-CG 4.42Å; Y715-P1074 WeakPolarHBondContact OH-CA 3.25Å; K734-P1074 WeakPolarHBondContact CE-O 3.37Å; K734-P1074 HydrophobicContact CG-CB 3.99Å
1075	D	98.3	Very high	94.8	Very high	68 Å²	68	66.5 Å²	66.5	36%	0.364	39%	0.388	S	S	.	.			trans	-144.5	165.6	172.7	-161.5	12.3	0	0	0	110.5	Y715 K734 R1067 P1073 I1077	Y715-D1075 VanDerWaalsContact CE1-O 3.31Å; Y715-D1075 WeakPolarHBondContact CE1-O 3.25Å; K734-D1075 IonicContact NZ-OD1 2.72Å; R1067-D1075 VanDerWaalsContact NH2-CB 3.29Å; P1073-D1075 PolarHBondContact O-N 3.44Å; D1075-I1077 WeakPolarHBondContact O-CG1 3.49Å; D1075-I1077 PolarHBondContact O-N 3.48Å
1076	H	98.3	Very high	94.5	Very high	59 Å²	59	71 Å²	71	27%	0.273	42%	0.415	S	S	.	.			trans	-56.4	133.6	-179.8	-60	-73.1	0	0	0	111.2	L725 L735	L725-H1076 HydrophobicContact CD1-CB 4.35Å; L735-H1076 PolarHBondContact N-ND1 3.32Å; L735-H1076 VanDerWaalsContact N-ND1 3.11Å; L735-H1076 WeakPolarHBondContact O-CA 3.49Å
1077	I	97.8	Very high	94.3	Very high	13 Å²	13	67.3 Å²	67.3	7%	0.067	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-114.6	106.5	179.6	-59.4	174.5	0	0	0	108.1	Y715 L735 Y737 L1060 K1063 M1064 D1075	Y715-I1077 HydrophobicContact CD1-CD1 4.41Å; Y715-I1077 HydrophobicContact CE1-CD1 3.7Å; Y715-I1077 HydrophobicContact CE1-CG1 4.1Å; L735-I1077 PolarHBondContact O-N 3.34Å; Y737-I1077 VanDerWaalsContact CD2-O 3.24Å; Y737-I1077 WeakPolarHBondContact CD2-O 3.25Å; Y737-I1077 PolarHBondContact N-O 3.25Å; L1060-I1077 HydrophobicContact CD1-CB 4.26Å; L1060-I1077 HydrophobicContact CD1-CG2 3.7Å; K1063-I1077 HydrophobicContact CB-CD1 4.27Å; K1063-I1077 HydrophobicContact CB-CG2 3.96Å; K1063-I1077 HydrophobicContact CD-CG2 3.49Å; K1063-I1077 VanDerWaalsContact CD-CG2 3.49Å; K1063-I1077 HydrophobicContact CG-CG2 4.37Å; M1064-I1077 HydrophobicContact CB-CD1 4.32Å; M1064-I1077 HydrophobicContact CG-CD1 3.58Å; D1075-I1077 WeakPolarHBondContact O-CG1 3.49Å; D1075-I1077 PolarHBondContact O-N 3.48Å
1078	S	87.5	Confident	94.1	Very high	82 Å²	82	68 Å²	68	57%	0.573	42%	0.42	S	S	*	.			trans	-68.1	150.9	171	59.1	0	0	0	0	111.6	K1063	K1063-S1078 PolarHBondContact NZ-O 3.07Å
1079	S	68.4	Low	93.7	Very high	84 Å²	84	68.1 Å²	68.1	59%	0.587	43%	0.434	S	S	*	.			trans	-56.7	0	176.2	57.1	0	0	0	0	111.9	K1063	K1063-S1079 PolarHBondContact NZ-OXT 2.84Å

Retrieved 1,079 of 1,079 residues in 224.6 ms (Link to these results)

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