G4VCM2_SCHMA Loading...

protein O-GlcNAc transferase

AlphaFold DB , UniProt , Accession G4VCM2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,063 aa.

						>G4VCM2_SCHMA|G4VCM2
MATALNDILFRLSRSSGSMIERRSILRLTDVSSLAELAHREYQAGDYERAEQHCMQLWHQDPENTSTLLLLSSIHFQCRRMERSAYFSQLAIKQNPLMAEAYSNLGNVFKERGQLKEAIDNYRHALRIKPDFIDGYINLAAALVAAGDMESAVNAYATALQYNPDLYCVRSDLGNLLKALGRLDEAKSCYLKAIETCPTFAVAWSNLGCVFNAQNEIWLAIHHFEKAVTLDPTFLDAYVNLGNVLKEARIFDRAVAAYLRALTLSPNNAVVHGNLACVYYEQNLIDLAIDTYKRAIELQPNFPDAYCNLANALKEKGKVLEAEEYYNTALRLCPTHADSLNNLANIKREQGKAEEAIRLYVRALEIYPEFAVAHSNLASMLQLQGKLQEALLHYREAIRISPTFADAYSNMGNTLKELQDVQGAMQCYQRAIQINPAFADAHSNLASILKDSGNLADAITSYKTALKLKPNFPDAFCNLAHCLQIVCDWSDYKHRMKKLVSMVQDQLESNRLPSVHPHHSMLYPLTHDQRKKIAGKHASLCLEKVSLLHHQPFRFSKKLPAGQRLRIGYVSSDFCNHPTSHLMQSIPGLHDRTKVEVFCYSLAPDDGTNFRAKVANEAEHFVDLSGIQCHGKAADKIASDGIHILLNMNGYTKGARNEIFALKPAPIQAMWLGYPGTSGSTFMDYIITDMVTSPMHLSHQYSEKLAYMPKTFFIGDHQQMFPHLRNRVILESAEDATAGRRVTDNSIVVSGLDIKPLLQVACVREVTYGGRLVEIHGSQRKDVSYFTKLTVLTIPSLQPIQNMIRTNSPSCTINGVTIHNGLVTQQTQSKASAGEEVPRDLILTSRQHYGLPEDAVVFCNFNQLYKVDPSTMRMWVEILKGVPNSVLWLLRFPAAGEAGALAAASEMGLQQVNRRILFSNVAPKEEHVRRGQVADVCLDTPLCNGHTTGMDVLWAGCPVVTLPLETLASRVAASQLHTLGCPELVANSQEDYVRIATKLGNNREYLQAMRAKVWKARESSALFSCRSYTADIEALYFRMWQQYEAGSIEHIVEWPSKPNKEST
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.7	Very low	41.5	Very low	223 Å²	223	134.4 Å²	134.4	100%	1.099	71%	0.712	S	S	*	*				0	-19.4	0	-85.5	-177.2	-173.5	0	0	114.6
2	A	42.3	Very low	41.1	Very low	90 Å²	90	134.4 Å²	134.4	74%	0.744	71%	0.712	S	S	*	*			trans	-84.1	-19.5	-177.4	0	0	0	0	0	115.8
3	T	42.2	Very low	40.6	Very low	134 Å²	134	130.6 Å²	130.6	82%	0.822	70%	0.703	S	S	*	*	S	Bend	trans	-84.3	-7.4	179.4	32.8	0	0	0	0	114.6
4	A	43	Very low	40	Very low	66 Å²	66	137.6 Å²	137.6	55%	0.545	71%	0.714	S	S	.	*	S	Bend	trans	-93.8	-12.2	179.4	0	0	0	0	0	114.4
5	L	40.9	Very low	39.6	Very low	121 Å²	121	136.2 Å²	136.2	63%	0.634	72%	0.721	S	S	*	*	S	Bend	trans	-89	-27.8	-176.3	-122.9	100.4	0	0	0	113.9
6	N	42.5	Very low	39.2	Very low	127 Å²	127	135.1 Å²	135.1	68%	0.679	73%	0.728	S	S	*	*	H	α-helix	trans	-76.6	-27.2	-177.7	-92.8	-14.4	0	0	0	113.6	I8 F10	N6-I8 VanDerWaalsContact C-N 3.32Å; N6-I8 PolarHBondContact O-N 3.24Å; N6-F10 PolarHBondContact O-N 3.23Å
7	D	43	Very low	38.8	Very low	113 Å²	113	131.1 Å²	131.1	60%	0.604	73%	0.726	S	S	*	*	H	α-helix	trans	-74.8	-20.9	176.9	-97.2	-10.2	0	0	0	113.4
8	I	44.9	Very low	38.4	Very low	114 Å²	114	130.1 Å²	130.1	59%	0.585	73%	0.729	S	S	*	*	H	α-helix	trans	-82.7	-37.1	177.7	-65.2	174.6	0	0	0	110.9	N6 R11	N6-I8 VanDerWaalsContact C-N 3.32Å; N6-I8 PolarHBondContact O-N 3.24Å; I8-R11 PolarHBondContact O-N 3.01Å
9	L	39.2	Very low	38.2	Very low	119 Å²	119	131.1 Å²	131.1	62%	0.623	73%	0.729	S	S	*	*	H	α-helix	trans	-73.8	-28.9	178	-81.8	162	0	0	0	112.8	R11	L9-R11 VanDerWaalsContact C-N 3.29Å; L9-R11 PolarHBondContact O-N 2.81Å
10	F	39.7	Very low	38	Very low	168 Å²	168	132.2 Å²	132.2	74%	0.737	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-16.5	176.5	-147.6	-94.6	0	0	0	113.6	N6 S13	N6-F10 PolarHBondContact O-N 3.23Å; F10-S13 PolarHBondContact O-OG 3.22Å
11	R	37.5	Very low	37.8	Very low	203 Å²	203	134 Å²	134	77%	0.766	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-9.2	-179.7	-72.8	-172.3	-179.5	-168	2.3	115.2	I8 L9	I8-R11 PolarHBondContact O-N 3.01Å; L9-R11 VanDerWaalsContact C-N 3.29Å; L9-R11 PolarHBondContact O-N 2.81Å
12	L	36.8	Very low	37.3	Very low	135 Å²	135	132.6 Å²	132.6	71%	0.707	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	1.2	175.4	-73.4	167.7	0	0	0	114	R14	L12-R14 VanDerWaalsContact C-N 3.31Å; L12-R14 PolarHBondContact O-N 3.03Å
13	S	34	Very low	36.9	Very low	85 Å²	85	137.2 Å²	137.2	59%	0.594	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	15.2	176.2	63	0	0	0	0	114.6	F10	F10-S13 PolarHBondContact O-OG 3.22Å
14	R	32.3	Very low	36.9	Very low	229 Å²	229	134.3 Å²	134.3	86%	0.864	70%	0.701	S	S	*	*			trans	-132.2	76.7	172.4	-74.6	-171	177.8	-173.3	0.2	112.8	L12	L12-R14 VanDerWaalsContact C-N 3.31Å; L12-R14 PolarHBondContact O-N 3.03Å
15	S	34.5	Very low	36.7	Very low	116 Å²	116	136.6 Å²	136.6	81%	0.811	70%	0.703	S	S	*	*			trans	-148.8	44.3	150	60.5	0	0	0	0	110.9	G17	S15-G17 PolarHBondContact O-N 2.85Å
16	S	33.6	Very low	36.6	Very low	119 Å²	119	136.3 Å²	136.3	83%	0.832	70%	0.701	S	S	*	*			trans	-90.7	80.9	169.5	56.6	0	0	0	0	109.4
17	G	30.8	Very low	36.7	Very low	67 Å²	67	139.6 Å²	139.6	69%	0.691	70%	0.704	S	S	*	*			trans	-171.6	93	177.6	0	0	0	0	0	111.6	S15	S15-G17 PolarHBondContact O-N 2.85Å
18	S	31.8	Very low	36.9	Very low	112 Å²	112	140.5 Å²	140.5	78%	0.783	71%	0.708	S	S	*	*	S	Bend	trans	147.7	0.8	154.5	61	0	0	0	0	115.6
19	M	34.4	Very low	37.2	Very low	150 Å²	150	138.6 Å²	138.6	74%	0.739	70%	0.702	S	S	*	*	S	Bend	trans	-97.6	-5	-172.3	-118	-176.5	-172.6	0	0	117.3
20	I	35.7	Very low	38.3	Very low	153 Å²	153	137.2 Å²	137.2	79%	0.785	70%	0.696	S	S	*	*	S	Bend	trans	-87	-32.3	-174.5	-65.2	176.8	0	0	0	112.8	R22 R23	I20-R22 VanDerWaalsContact C-N 3.34Å; I20-R22 PolarHBondContact O-N 3.03Å; I20-R23 PolarHBondContact O-N 2.84Å
21	E	32.7	Very low	39.4	Very low	169 Å²	169	131.3 Å²	131.3	79%	0.79	67%	0.673	S	S	*	*	H	α-helix	trans	-77.9	-14.5	178.2	-79.3	-178.9	156.3	0	0	114.5
22	R	32.4	Very low	40.8	Very low	194 Å²	194	124.7 Å²	124.7	73%	0.732	66%	0.658	S	S	*	*	H	α-helix	trans	-83.9	-15.5	172.7	-74.6	-171	-176.6	-158.4	1.3	114	I20 L26	I20-R22 VanDerWaalsContact C-N 3.34Å; I20-R22 PolarHBondContact O-N 3.03Å; R22-L26 WeakPolarHBondContact O-CB 3.42Å; R22-L26 PolarHBondContact O-N 2.83Å
23	R	34	Very low	42.7	Very low	187 Å²	187	120.4 Å²	120.4	71%	0.706	64%	0.639	S	S	*	*	H	α-helix	trans	-83.9	-22.1	-177.5	-86.1	-175.1	173	-179.3	-0.8	114.8	I20	I20-R23 PolarHBondContact O-N 2.84Å
24	S	40.7	Very low	45.1	Very low	74 Å²	74	117 Å²	117	52%	0.517	61%	0.614	S	S	.	*	H	α-helix	trans	-80.4	-36.2	175	56.1	0	0	0	0	112.3
25	I	40.2	Very low	47.5	Very low	114 Å²	114	107.7 Å²	107.7	59%	0.585	59%	0.586	S	S	*	*	H	α-helix	trans	-76.3	-37.4	179.8	-59.9	172.5	0	0	0	111.2	R27 L28 T29	I25-R27 VanDerWaalsContact C-N 3.33Å; I25-R27 PolarHBondContact O-N 2.76Å; I25-L28 PolarHBondContact O-N 2.88Å; I25-T29 PolarHBondContact O-N 2.72Å; I25-T29 VanDerWaalsContact O-N 3.17Å; I25-T29 PolarHBondContact O-OG1 3.37Å
26	L	37.5	Very low	49.9	Very low	114 Å²	114	107.2 Å²	107.2	60%	0.597	57%	0.571	S	S	*	*	H	α-helix	trans	-68.3	-27.2	177.6	-89.4	159.5	0	0	0	113.9	R22 T29 D30	R22-L26 WeakPolarHBondContact O-CB 3.42Å; R22-L26 PolarHBondContact O-N 2.83Å; L26-T29 WeakPolarHBondContact CA-OG1 3.49Å; L26-T29 PolarHBondContact O-OG1 2.82Å; L26-D30 WeakPolarHBondContact O-CB 3.46Å; L26-D30 PolarHBondContact O-N 2.83Å
27	R	46	Very low	52.5	Low	197 Å²	197	105 Å²	105	74%	0.743	55%	0.55	S	S	*	.	H	α-helix	trans	-73.3	-37.7	174.5	-77.4	-170.7	-173.3	-172.1	1.6	112.5	I25 D30 V31	I25-R27 VanDerWaalsContact C-N 3.33Å; I25-R27 PolarHBondContact O-N 2.76Å; R27-D30 PolarHBondContact O-N 3.41Å; R27-V31 VanDerWaalsContact O-CG2 3.31Å; R27-V31 WeakPolarHBondContact O-CG2 3.46Å; R27-V31 PolarHBondContact O-N 2.87Å
28	L	46.5	Very low	55.2	Low	131 Å²	131	101.9 Å²	101.9	69%	0.686	52%	0.517	S	S	*	.	H	α-helix	trans	-71.3	-38.4	179.6	-76.4	163.7	0	0	0	112.2	I25 D30 V31 S32	I25-L28 PolarHBondContact O-N 2.88Å; L28-D30 VanDerWaalsContact C-N 3.28Å; L28-D30 PolarHBondContact O-N 2.86Å; L28-V31 PolarHBondContact O-N 2.85Å; L28-S32 PolarHBondContact O-N 2.93Å
29	T	49.8	Very low	57.9	Low	75 Å²	75	101.2 Å²	101.2	46%	0.46	50%	0.501	S	S	.	.	H	α-helix	trans	-68.4	-27.1	176.4	51.3	0	0	0	0	113.3	I25 L26 S32 S33	I25-T29 PolarHBondContact O-N 2.72Å; I25-T29 VanDerWaalsContact O-N 3.17Å; I25-T29 PolarHBondContact O-OG1 3.37Å; L26-T29 WeakPolarHBondContact CA-OG1 3.49Å; L26-T29 PolarHBondContact O-OG1 2.82Å; T29-S32 PolarHBondContact O-OG 3.28Å; T29-S33 WeakPolarHBondContact O-CB 3.31Å; T29-S33 PolarHBondContact O-N 3.07Å; T29-S33 PolarHBondContact O-OG 2.92Å
30	D	63.4	Low	60.5	Low	90 Å²	90	101.3 Å²	101.3	48%	0.481	49%	0.493	S	S	.	.	H	α-helix	trans	-78	-35.9	178.6	-145.1	16.4	0	0	0	111.4	L26 R27 L28 S33 L34	L26-D30 WeakPolarHBondContact O-CB 3.46Å; L26-D30 PolarHBondContact O-N 2.83Å; R27-D30 PolarHBondContact O-N 3.41Å; L28-D30 VanDerWaalsContact C-N 3.28Å; L28-D30 PolarHBondContact O-N 2.86Å; D30-S33 WeakPolarHBondContact CA-OG 3.35Å; D30-S33 PolarHBondContact O-OG 2.77Å; D30-L34 WeakPolarHBondContact O-CB 3.41Å; D30-L34 WeakPolarHBondContact O-CD1 3.18Å; D30-L34 VanDerWaalsContact O-CG 3.27Å; D30-L34 WeakPolarHBondContact O-CG 3.35Å; D30-L34 PolarHBondContact O-N 2.94Å
31	V	62.8	Low	63.1	Low	44 Å²	44	95.5 Å²	95.5	27%	0.267	46%	0.463	S	S	.	.	H	α-helix	trans	-65.9	-44.9	176.9	174.5	0	0	0	0	111.4	R27 L28 L34 A35 L57	R27-V31 VanDerWaalsContact O-CG2 3.31Å; R27-V31 WeakPolarHBondContact O-CG2 3.46Å; R27-V31 PolarHBondContact O-N 2.87Å; L28-V31 PolarHBondContact O-N 2.85Å; V31-L34 PolarHBondContact O-N 3.3Å; V31-A35 WeakPolarHBondContact O-CB 3.33Å; V31-A35 PolarHBondContact O-N 3.18Å; V31-L57 HydrophobicContact CB-CD2 4.33Å; V31-L57 HydrophobicContact CG1-CD2 3.72Å
32	S	66.3	Low	66	Low	64 Å²	64	89.9 Å²	89.9	45%	0.448	44%	0.435	S	S	.	.	H	α-helix	trans	-67.1	-39.4	178.7	61.7	0	0	0	0	112.2	L28 T29 A35 E36	L28-S32 PolarHBondContact O-N 2.93Å; T29-S32 PolarHBondContact O-OG 3.28Å; S32-A35 PolarHBondContact O-N 2.91Å; S32-E36 PolarHBondContact O-N 3.47Å
33	S	78.2	Confident	68.6	Low	45 Å²	45	87.6 Å²	87.6	32%	0.315	43%	0.432	S	S	.	.	H	α-helix	trans	-66.8	-41.3	177.3	70.5	0	0	0	0	111.3	T29 D30 E36 L37	T29-S33 WeakPolarHBondContact O-CB 3.31Å; T29-S33 PolarHBondContact O-N 3.07Å; T29-S33 PolarHBondContact O-OG 2.92Å; D30-S33 WeakPolarHBondContact CA-OG 3.35Å; D30-S33 PolarHBondContact O-OG 2.77Å; S33-E36 PolarHBondContact O-N 3.1Å; S33-L37 WeakPolarHBondContact O-CB 3.24Å; S33-L37 VanDerWaalsContact O-CG 3.26Å; S33-L37 WeakPolarHBondContact O-CG 2.91Å; S33-L37 PolarHBondContact O-N 2.83Å
34	L	82.8	Confident	71.2	Confident	13 Å²	13	82.7 Å²	82.7	7%	0.068	43%	0.432	C	S	.	.	H	α-helix	trans	-61.8	-42.5	173.8	-83.5	161.1	0	0	0	112	D30 V31 L37 A38 H53 L57	D30-L34 WeakPolarHBondContact O-CB 3.41Å; D30-L34 WeakPolarHBondContact O-CD1 3.18Å; D30-L34 VanDerWaalsContact O-CG 3.27Å; D30-L34 WeakPolarHBondContact O-CG 3.35Å; D30-L34 PolarHBondContact O-N 2.94Å; V31-L34 PolarHBondContact O-N 3.3Å; L34-L37 PolarHBondContact O-N 3.45Å; L34-A38 WeakPolarHBondContact O-CB 3.4Å; L34-A38 PolarHBondContact O-N 3.46Å; L34-H53 HydrophobicContact CD2-CB 4.19Å; L34-H53 WeakPolarHBondContact CD2-ND1 3.21Å; L34-L57 HydrophobicContact CB-CD1 4.21Å; L34-L57 HydrophobicContact CB-CD2 3.78Å; L34-L57 HydrophobicContact CB-CG 4.04Å
35	A	83.8	Confident	73.4	Confident	33 Å²	33	80.8 Å²	80.8	27%	0.273	42%	0.424	S	S	.	.	H	α-helix	trans	-65.7	-43.1	178.9	0	0	0	0	0	111.9	V31 S32 A38 H39 L57	V31-A35 WeakPolarHBondContact O-CB 3.33Å; V31-A35 PolarHBondContact O-N 3.18Å; S32-A35 PolarHBondContact O-N 2.91Å; A35-A38 PolarHBondContact O-N 2.88Å; A35-H39 PolarHBondContact O-N 2.85Å; A35-L57 HydrophobicContact CB-CD1 4.03Å
36	E	85.3	Confident	75.8	Confident	107 Å²	107	77.8 Å²	77.8	50%	0.5	41%	0.409	S	S	.	.	H	α-helix	trans	-63.6	-41.1	173.7	-76.8	-175.3	-163.5	0	0	112.4	S32 S33 H39 R40	S32-E36 PolarHBondContact O-N 3.47Å; S33-E36 PolarHBondContact O-N 3.1Å; E36-H39 PolarHBondContact O-N 3.32Å; E36-R40 WeakPolarHBondContact O-CB 3.48Å; E36-R40 WeakPolarHBondContact O-CG 3.37Å; E36-R40 PolarHBondContact O-N 3.42Å; E36-R40 IonicContact OE2-CZ 3.99Å; E36-R40 IonicContact OE2-NH2 3.05Å; E36-R40 PolarHBondContact OE2-NH2 2.88Å
37	L	86.9	Confident	78.4	Confident	73 Å²	73	75.6 Å²	75.6	38%	0.382	39%	0.394	S	S	.	.	H	α-helix	trans	-60.3	-50.9	175.4	-79.3	166.5	0	0	0	110.9	S33 L34 H39 R40 E41	S33-L37 WeakPolarHBondContact O-CB 3.24Å; S33-L37 VanDerWaalsContact O-CG 3.26Å; S33-L37 WeakPolarHBondContact O-CG 2.91Å; S33-L37 PolarHBondContact O-N 2.83Å; L34-L37 PolarHBondContact O-N 3.45Å; L37-H39 VanDerWaalsContact C-N 3.27Å; L37-H39 PolarHBondContact O-N 2.9Å; L37-R40 PolarHBondContact O-N 3.24Å; L37-R40 VanDerWaalsContact O-N 3.16Å; L37-E41 WeakPolarHBondContact O-CB 3.49Å; L37-E41 WeakPolarHBondContact O-CG 3.37Å; L37-E41 PolarHBondContact O-N 2.7Å
38	A	88.1	Confident	80.4	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-57.9	-40.7	178.3	0	0	0	0	0	112	L34 A35 Y42 H53 L70	L34-A38 WeakPolarHBondContact O-CB 3.4Å; L34-A38 PolarHBondContact O-N 3.46Å; A35-A38 PolarHBondContact O-N 2.88Å; A38-Y42 WeakPolarHBondContact O-CB 3.28Å; A38-Y42 PolarHBondContact O-N 3.5Å; A38-H53 HydrophobicContact CB-CB 3.95Å; A38-L70 HydrophobicContact CB-CD2 3.94Å
39	H	88.5	Confident	82.4	Confident	99 Å²	99	73.3 Å²	73.3	46%	0.458	38%	0.382	S	S	.	.	H	α-helix	trans	-67.5	-42.8	177.5	-129.7	86.4	0	0	0	112.4	A35 E36 L37 Y42 Q43	A35-H39 PolarHBondContact O-N 2.85Å; E36-H39 PolarHBondContact O-N 3.32Å; L37-H39 VanDerWaalsContact C-N 3.27Å; L37-H39 PolarHBondContact O-N 2.9Å; H39-Y42 PolarHBondContact O-N 3.42Å; H39-Q43 WeakPolarHBondContact O-CB 3.44Å; H39-Q43 VanDerWaalsContact O-CG 3.3Å; H39-Q43 WeakPolarHBondContact O-CG 3.2Å; H39-Q43 PolarHBondContact O-N 3.48Å
40	R	89	Confident	84.4	Confident	151 Å²	151	69.7 Å²	69.7	57%	0.57	36%	0.36	S	S	*	.	H	α-helix	trans	-65	-41.6	177.1	-75.1	-179.9	-165.1	162.4	13.6	111.8	E36 L37 Q43 A44	E36-R40 WeakPolarHBondContact O-CB 3.48Å; E36-R40 WeakPolarHBondContact O-CG 3.37Å; E36-R40 PolarHBondContact O-N 3.42Å; E36-R40 IonicContact OE2-CZ 3.99Å; E36-R40 IonicContact OE2-NH2 3.05Å; E36-R40 PolarHBondContact OE2-NH2 2.88Å; L37-R40 PolarHBondContact O-N 3.24Å; L37-R40 VanDerWaalsContact O-N 3.16Å; R40-Q43 PolarHBondContact O-N 2.73Å; R40-A44 WeakPolarHBondContact O-CB 3.43Å; R40-A44 PolarHBondContact O-N 2.79Å
41	E	91.2	Very high	85.8	Confident	31 Å²	31	66.8 Å²	66.8	15%	0.145	34%	0.343	C	S	.	.	H	α-helix	trans	-66.7	-41.2	177.2	-72.6	177.6	164.1	0	0	111.7	L37 Q43 A44 G45 D46 R49 A50 H53	L37-E41 WeakPolarHBondContact O-CB 3.49Å; L37-E41 WeakPolarHBondContact O-CG 3.37Å; L37-E41 PolarHBondContact O-N 2.7Å; E41-Q43 VanDerWaalsContact C-N 3.34Å; E41-Q43 PolarHBondContact O-N 2.8Å; E41-A44 CarbonylContact O-C 3.47Å; E41-A44 PolarHBondContact O-N 2.91Å; E41-G45 PolarHBondContact O-N 3.23Å; E41-D46 HydrophobicContact CB-CB 4.36Å; E41-D46 PolarHBondContact O-N 2.97Å; E41-R49 VanDerWaalsContact CD-CB 3.46Å; E41-R49 HydrophobicContact CG-CB 4.5Å; E41-R49 WeakPolarHBondContact OE2-CB 3.35Å; E41-A50 HydrophobicContact CB-CB 3.94Å; E41-A50 WeakPolarHBondContact OE2-CA 3.41Å; E41-A50 PolarHBondContact OE2-N 3.39Å; E41-H53 IonicContact OE1-CD2 2.87Å; E41-H53 IonicContact OE1-NE2 3.64Å; E41-H53 IonicContact OE2-CD2 3.69Å; E41-H53 PolarHBondContact OE2-CD2 3.29Å; E41-H53 IonicContact OE2-NE2 3.42Å
42	Y	91.7	Very high	87.1	Confident	51 Å²	51	69.8 Å²	69.8	20%	0.2	35%	0.354	C	S	.	.	H	α-helix	trans	-58.6	-46	171.5	173.9	-99.7	0	0	0	111.9	A38 H39 A44 G45 Y47 L70 I74 Q77	A38-Y42 WeakPolarHBondContact O-CB 3.28Å; A38-Y42 PolarHBondContact O-N 3.5Å; H39-Y42 PolarHBondContact O-N 3.42Å; Y42-A44 VanDerWaalsContact C-N 3.28Å; Y42-A44 PolarHBondContact O-N 2.95Å; Y42-G45 PolarHBondContact O-N 3.45Å; Y42-G45 VanDerWaalsContact O-N 3.08Å; Y42-Y47 AromaticContact CD2-CD1 3.81Å; Y42-Y47 HydrophobicContact CD2-CD1 3.81Å; Y42-Y47 AromaticContact CD2-CE1 3.72Å; Y42-Y47 HydrophobicContact CD2-CE1 3.72Å; Y42-Y47 HydrophobicContact CE2-CD1 4.17Å; Y42-Y47 AromaticContact CE2-CE1 3.77Å; Y42-Y47 HydrophobicContact CE2-CE1 3.77Å; Y42-L70 HydrophobicContact CD1-CD1 3.92Å; Y42-L70 HydrophobicContact CD2-CD1 4.03Å; Y42-L70 HydrophobicContact CG-CD1 3.66Å; Y42-I74 HydrophobicContact CD2-CG1 3.57Å; Y42-I74 HydrophobicContact CE2-CG1 4.17Å; Y42-I74 HydrophobicContact CG-CG1 4.48Å; Y42-Q77 HydrophobicContact CE2-CG 3.97Å
43	Q	87	Confident	88.2	Confident	146 Å²	146	68.6 Å²	68.6	68%	0.682	34%	0.342	S	S	*	.	H	α-helix	trans	-65.2	-31.4	176.6	-73.6	176.7	-7.9	0	0	112.7	H39 R40 E41 G45	H39-Q43 WeakPolarHBondContact O-CB 3.44Å; H39-Q43 VanDerWaalsContact O-CG 3.3Å; H39-Q43 WeakPolarHBondContact O-CG 3.2Å; H39-Q43 PolarHBondContact O-N 3.48Å; R40-Q43 PolarHBondContact O-N 2.73Å; E41-Q43 VanDerWaalsContact C-N 3.34Å; E41-Q43 PolarHBondContact O-N 2.8Å; Q43-G45 VanDerWaalsContact C-N 3.26Å; Q43-G45 PolarHBondContact O-N 2.72Å
44	A	88.7	Confident	88.8	Confident	84 Å²	84	66.4 Å²	66.4	69%	0.694	33%	0.327	S	S	*	.	H	α-helix	trans	-77.9	-8.1	173.9	0	0	0	0	0	113.5	R40 E41 Y42	R40-A44 WeakPolarHBondContact O-CB 3.43Å; R40-A44 PolarHBondContact O-N 2.79Å; E41-A44 CarbonylContact O-C 3.47Å; E41-A44 PolarHBondContact O-N 2.91Å; Y42-A44 VanDerWaalsContact C-N 3.28Å; Y42-A44 PolarHBondContact O-N 2.95Å
45	G	86.7	Confident	89.1	Confident	35 Å²	35	68.1 Å²	68.1	36%	0.361	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	7.3	-177.1	0	0	0	0	0	114.9	E41 Y42 Q43 Y47	E41-G45 PolarHBondContact O-N 3.23Å; Y42-G45 PolarHBondContact O-N 3.45Å; Y42-G45 VanDerWaalsContact O-N 3.08Å; Q43-G45 VanDerWaalsContact C-N 3.26Å; Q43-G45 PolarHBondContact O-N 2.72Å; G45-Y47 VanDerWaalsContact C-N 3.26Å; G45-Y47 PolarHBondContact O-N 3.38Å
46	D	91.4	Very high	89.4	Confident	50 Å²	50	71 Å²	71	27%	0.267	34%	0.343	S	S	.	.			trans	-83.3	71.2	175	-167.1	-13.7	0	0	0	110	E41 E48 R49 A50	E41-D46 HydrophobicContact CB-CB 4.36Å; E41-D46 PolarHBondContact O-N 2.97Å; D46-E48 VanDerWaalsContact C-N 3.26Å; D46-E48 PolarHBondContact O-N 2.91Å; D46-R49 PolarHBondContact OD1-N 3.3Å; D46-R49 WeakPolarHBondContact OD2-CD 3.43Å; D46-R49 IonicContact OD2-CZ 3.13Å; D46-R49 IonicContact OD2-NE 2.65Å; D46-R49 IonicContact OD2-NH1 3.31Å; D46-R49 PolarHBondContact OD2-NH1 3.38Å; D46-A50 WeakPolarHBondContact O-CB 3.42Å; D46-A50 PolarHBondContact O-N 3.44Å; D46-A50 VanDerWaalsContact O-N 3.12Å
47	Y	91.4	Very high	89.4	Confident	69 Å²	69	66.1 Å²	66.1	27%	0.271	32%	0.32	S	S	.	.	H	α-helix	trans	-64.6	-28.2	-174	-59.9	-49.3	0	0	0	113.8	Y42 G45 E51 Q77 C78	Y42-Y47 AromaticContact CD2-CD1 3.81Å; Y42-Y47 HydrophobicContact CD2-CD1 3.81Å; Y42-Y47 AromaticContact CD2-CE1 3.72Å; Y42-Y47 HydrophobicContact CD2-CE1 3.72Å; Y42-Y47 HydrophobicContact CE2-CD1 4.17Å; Y42-Y47 AromaticContact CE2-CE1 3.77Å; Y42-Y47 HydrophobicContact CE2-CE1 3.77Å; G45-Y47 VanDerWaalsContact C-N 3.26Å; G45-Y47 PolarHBondContact O-N 3.38Å; Y47-E51 VanDerWaalsContact O-CB 3.26Å; Y47-E51 WeakPolarHBondContact O-CB 3.41Å; Y47-E51 PolarHBondContact O-N 3.42Å; Y47-Q77 HydrophobicContact CD1-CB 4.29Å; Y47-Q77 HydrophobicContact CD2-CB 4.3Å; Y47-Q77 HydrophobicContact CE1-CB 3.82Å; Y47-Q77 HydrophobicContact CE1-CG 3.91Å; Y47-Q77 HydrophobicContact CE2-CB 3.81Å; Y47-C78 VanDerWaalsContact CB-SG 3.54Å
48	E	88.9	Confident	89.5	Confident	138 Å²	138	64.8 Å²	64.8	65%	0.645	31%	0.31	S	S	*	.	H	α-helix	trans	-72.3	-45.3	-177.6	-171.5	174.7	-175.5	0	0	111.4	D46 E51 Q52	D46-E48 VanDerWaalsContact C-N 3.26Å; D46-E48 PolarHBondContact O-N 2.91Å; E48-E51 PolarHBondContact O-N 3.33Å; E48-Q52 WeakPolarHBondContact O-CG 3.42Å; E48-Q52 PolarHBondContact O-N 2.99Å; E48-Q52 VanDerWaalsContact O-N 3.07Å
49	R	89.1	Confident	89.4	Confident	141 Å²	141	71.4 Å²	71.4	53%	0.532	34%	0.34	S	S	.	.	H	α-helix	trans	-68.9	-40.5	174.2	-68.4	-167.2	179.5	127.7	-9.4	112.2	E41 D46 E51 Q52 H53	E41-R49 VanDerWaalsContact CD-CB 3.46Å; E41-R49 HydrophobicContact CG-CB 4.5Å; E41-R49 WeakPolarHBondContact OE2-CB 3.35Å; D46-R49 PolarHBondContact OD1-N 3.3Å; D46-R49 WeakPolarHBondContact OD2-CD 3.43Å; D46-R49 IonicContact OD2-CZ 3.13Å; D46-R49 IonicContact OD2-NE 2.65Å; D46-R49 IonicContact OD2-NH1 3.31Å; D46-R49 PolarHBondContact OD2-NH1 3.38Å; R49-E51 VanDerWaalsContact C-N 3.26Å; R49-E51 PolarHBondContact O-N 3.04Å; R49-Q52 WeakPolarHBondContact O-CB 3.49Å; R49-Q52 PolarHBondContact O-N 2.81Å; R49-H53 PolarHBondContact O-N 3.24Å
50	A	91	Very high	89.2	Confident	0 Å²	0	72 Å²	72	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-58.5	-41.4	175.1	0	0	0	0	0	111	E41 D46 C54 I74	E41-A50 HydrophobicContact CB-CB 3.94Å; E41-A50 WeakPolarHBondContact OE2-CA 3.41Å; E41-A50 PolarHBondContact OE2-N 3.39Å; D46-A50 WeakPolarHBondContact O-CB 3.42Å; D46-A50 PolarHBondContact O-N 3.44Å; D46-A50 VanDerWaalsContact O-N 3.12Å; A50-C54 VanDerWaalsContact O-CB 3.27Å; A50-C54 WeakPolarHBondContact O-CB 3.36Å; A50-C54 PolarHBondContact O-N 2.97Å; A50-C54 PolarHBondContact O-SG 3.38Å; A50-I74 HydrophobicContact CB-CD1 3.69Å; A50-I74 HydrophobicContact CB-CG1 4.3Å
51	E	92.5	Very high	89	Confident	29 Å²	29	68.4 Å²	68.4	14%	0.136	34%	0.335	C	S	.	.	H	α-helix	trans	-60.8	-47.1	173.8	-173.3	179.1	-178.4	0	0	111.1	Y47 E48 R49 H53 C54 M55 L71 I74 H75 R80 R83	Y47-E51 VanDerWaalsContact O-CB 3.26Å; Y47-E51 WeakPolarHBondContact O-CB 3.41Å; Y47-E51 PolarHBondContact O-N 3.42Å; E48-E51 PolarHBondContact O-N 3.33Å; R49-E51 VanDerWaalsContact C-N 3.26Å; R49-E51 PolarHBondContact O-N 3.04Å; E51-H53 PolarHBondContact O-N 3.48Å; E51-C54 PolarHBondContact O-N 3.46Å; E51-M55 HydrophobicContact CG-CG 4.21Å; E51-M55 WeakPolarHBondContact O-CB 3.45Å; E51-M55 WeakPolarHBondContact O-CG 3.25Å; E51-M55 PolarHBondContact O-N 3.48Å; E51-L71 HydrophobicContact CG-CD2 4.46Å; E51-I74 HydrophobicContact CB-CG2 4.12Å; E51-H75 IonicContact OE1-CE1 3.83Å; E51-H75 PolarHBondContact OE1-CE1 2.88Å; E51-H75 IonicContact OE1-NE2 2.7Å; E51-R80 IonicContact OE1-NH1 2.68Å; E51-R80 PolarHBondContact OE1-NH1 3.03Å; E51-R80 IonicContact OE2-CZ 3.87Å; E51-R80 IonicContact OE2-NH1 3.74Å; E51-R80 PolarHBondContact OE2-NH1 2.94Å; E51-R83 IonicContact OE1-NH1 3.55Å
52	Q	89.8	Confident	88.7	Confident	106 Å²	106	70.3 Å²	70.3	50%	0.495	35%	0.351	S	S	.	.	H	α-helix	trans	-59.5	-46.7	179.5	-71.3	176.2	12.9	0	0	112.2	E48 R49 M55 Q56	E48-Q52 WeakPolarHBondContact O-CG 3.42Å; E48-Q52 PolarHBondContact O-N 2.99Å; E48-Q52 VanDerWaalsContact O-N 3.07Å; R49-Q52 WeakPolarHBondContact O-CB 3.49Å; R49-Q52 PolarHBondContact O-N 2.81Å; Q52-M55 PolarHBondContact O-N 2.59Å; Q52-Q56 WeakPolarHBondContact O-CG 3.49Å; Q52-Q56 PolarHBondContact O-N 2.97Å
53	H	89.8	Confident	88.4	Confident	39 Å²	39	74 Å²	74	18%	0.181	37%	0.37	C	S	.	.	H	α-helix	trans	-67.6	-41.2	177.7	-71	-43.8	0	0	0	112.1	L34 A38 E41 R49 E51 M55 Q56 L57	L34-H53 HydrophobicContact CD2-CB 4.19Å; L34-H53 WeakPolarHBondContact CD2-ND1 3.21Å; A38-H53 HydrophobicContact CB-CB 3.95Å; E41-H53 IonicContact OE1-CD2 2.87Å; E41-H53 IonicContact OE1-NE2 3.64Å; E41-H53 IonicContact OE2-CD2 3.69Å; E41-H53 PolarHBondContact OE2-CD2 3.29Å; E41-H53 IonicContact OE2-NE2 3.42Å; R49-H53 PolarHBondContact O-N 3.24Å; E51-H53 PolarHBondContact O-N 3.48Å; H53-M55 VanDerWaalsContact C-N 3.34Å; H53-M55 PolarHBondContact O-N 3.34Å; H53-Q56 PolarHBondContact O-N 3.18Å; H53-L57 VanDerWaalsContact O-CG 3.31Å; H53-L57 WeakPolarHBondContact O-CG 3.22Å; H53-L57 PolarHBondContact O-N 3.13Å
54	C	91.2	Very high	88.4	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-62.9	-38.7	173.6	-77.5	0	0	0	0	113	A50 E51 L57 W58 T67 L70 L71	A50-C54 VanDerWaalsContact O-CB 3.27Å; A50-C54 WeakPolarHBondContact O-CB 3.36Å; A50-C54 PolarHBondContact O-N 2.97Å; A50-C54 PolarHBondContact O-SG 3.38Å; E51-C54 PolarHBondContact O-N 3.46Å; C54-L57 PolarHBondContact O-N 3.42Å; C54-W58 VanDerWaalsContact O-CB 3.3Å; C54-W58 WeakPolarHBondContact O-CB 3.4Å; C54-W58 PolarHBondContact O-N 3.45Å; C54-T67 HydrophobicContact CB-CG2 4.04Å; C54-T67 WeakPolarHBondContact O-CG2 3.34Å; C54-L70 WeakPolarHBondContact SG-CD2 3.33Å; C54-L71 HydrophobicContact CB-CD1 4.33Å; C54-L71 HydrophobicContact CB-CD2 3.42Å; C54-L71 VanDerWaalsContact CB-CD2 3.42Å; C54-L71 HydrophobicContact CB-CG 3.64Å
55	M	89.9	Confident	88.5	Confident	49 Å²	49	66.4 Å²	66.4	24%	0.241	32%	0.324	C	S	.	.	H	α-helix	trans	-67	-38.2	176.5	-72.8	-63.4	-65.4	0	0	111.3	E51 Q52 H53 W58 H59 L71 F87	E51-M55 HydrophobicContact CG-CG 4.21Å; E51-M55 WeakPolarHBondContact O-CB 3.45Å; E51-M55 WeakPolarHBondContact O-CG 3.25Å; E51-M55 PolarHBondContact O-N 3.48Å; Q52-M55 PolarHBondContact O-N 2.59Å; H53-M55 VanDerWaalsContact C-N 3.34Å; H53-M55 PolarHBondContact O-N 3.34Å; M55-W58 HydrophobicContact CE-CE3 3.83Å; M55-W58 HydrophobicContact CE-CZ3 3.93Å; M55-W58 PolarHBondContact O-N 2.88Å; M55-W58 HydrophobicContact SD-CE3 3.82Å; M55-W58 HydrophobicContact SD-CZ3 4.26Å; M55-H59 WeakPolarHBondContact O-CB 3.47Å; M55-H59 PolarHBondContact O-CD2 2.95Å; M55-H59 PolarHBondContact O-N 3.3Å; M55-L71 HydrophobicContact CG-CD2 4.19Å; M55-L71 HydrophobicContact SD-CD1 4.26Å; M55-L71 HydrophobicContact SD-CD2 4.05Å; M55-F87 HydrophobicContact SD-CZ 4.2Å
56	Q	88.6	Confident	88.5	Confident	93 Å²	93	68.1 Å²	68.1	44%	0.435	33%	0.33	S	S	.	.	H	α-helix	trans	-62.2	-45.5	171.8	-72.7	176	6.9	0	0	111.6	Q52 H53 W58 H59 Q60	Q52-Q56 WeakPolarHBondContact O-CG 3.49Å; Q52-Q56 PolarHBondContact O-N 2.97Å; H53-Q56 PolarHBondContact O-N 3.18Å; Q56-W58 VanDerWaalsContact C-N 3.34Å; Q56-W58 PolarHBondContact O-N 2.99Å; Q56-H59 PolarHBondContact O-N 2.75Å; Q56-Q60 VanDerWaalsContact O-CG 3.32Å; Q56-Q60 WeakPolarHBondContact O-CG 3.37Å; Q56-Q60 PolarHBondContact O-N 3.36Å; Q56-Q60 VanDerWaalsContact O-N 3.11Å
57	L	87.1	Confident	88.5	Confident	4 Å²	4	66 Å²	66	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-61	-42.8	175.7	-73	167	0	0	0	111.7	V31 L34 A35 H53 C54 Q60 D61 T67	V31-L57 HydrophobicContact CB-CD2 4.33Å; V31-L57 HydrophobicContact CG1-CD2 3.72Å; L34-L57 HydrophobicContact CB-CD1 4.21Å; L34-L57 HydrophobicContact CB-CD2 3.78Å; L34-L57 HydrophobicContact CB-CG 4.04Å; A35-L57 HydrophobicContact CB-CD1 4.03Å; H53-L57 VanDerWaalsContact O-CG 3.31Å; H53-L57 WeakPolarHBondContact O-CG 3.22Å; H53-L57 PolarHBondContact O-N 3.13Å; C54-L57 PolarHBondContact O-N 3.42Å; L57-Q60 PolarHBondContact O-N 2.83Å; L57-D61 PolarHBondContact O-N 2.98Å; L57-T67 HydrophobicContact CB-CG2 3.76Å
58	W	87.1	Confident	88.6	Confident	45 Å²	45	62.7 Å²	62.7	17%	0.17	31%	0.306	C	S	.	.	H	α-helix	trans	-69.7	-35.1	179.7	-175.8	49	0	0	0	112.5	C54 M55 Q56 Q60 D61 P62 T67 L68 L71 Y86 F87 L90	C54-W58 VanDerWaalsContact O-CB 3.3Å; C54-W58 WeakPolarHBondContact O-CB 3.4Å; C54-W58 PolarHBondContact O-N 3.45Å; M55-W58 HydrophobicContact CE-CE3 3.83Å; M55-W58 HydrophobicContact CE-CZ3 3.93Å; M55-W58 PolarHBondContact O-N 2.88Å; M55-W58 HydrophobicContact SD-CE3 3.82Å; M55-W58 HydrophobicContact SD-CZ3 4.26Å; Q56-W58 VanDerWaalsContact C-N 3.34Å; Q56-W58 PolarHBondContact O-N 2.99Å; W58-Q60 VanDerWaalsContact C-N 3.29Å; W58-Q60 PolarHBondContact O-N 3.24Å; W58-D61 CarbonylContact O-C 3.53Å; W58-P62 VanDerWaalsContact CD1-CA 3.49Å; W58-P62 PolarHBondContact NE1-O 2.93Å; W58-P62 VanDerWaalsContact O-CA 3.24Å; W58-P62 WeakPolarHBondContact O-CA 3.14Å; W58-P62 WeakPolarHBondContact O-CD 3.24Å; W58-P62 WeakPolarHBondContact O-CG 3.4Å; W58-T67 HydrophobicContact CB-CG2 4.06Å; W58-L68 HydrophobicContact CG-CD2 4.41Å; W58-L71 HydrophobicContact CB-CD1 4.11Å; W58-L71 HydrophobicContact CD2-CD1 4.47Å; W58-L71 HydrophobicContact CG-CD1 4.27Å; W58-Y86 HydrophobicContact CH2-CE1 4.35Å; W58-F87 HydrophobicContact CD2-CE1 4.18Å; W58-F87 AromaticContact CE3-CE1 3.88Å; W58-F87 HydrophobicContact CE3-CE1 3.88Å; W58-F87 HydrophobicContact CE3-CZ 4.39Å; W58-F87 AromaticContact CH2-CE1 3.82Å; W58-F87 HydrophobicContact CH2-CE1 3.82Å; W58-F87 HydrophobicContact CH2-CZ 4.46Å; W58-F87 HydrophobicContact CZ2-CE1 4.12Å; W58-F87 AromaticContact CZ3-CE1 3.69Å; W58-F87 HydrophobicContact CZ3-CE1 3.69Å; W58-F87 HydrophobicContact CZ3-CZ 4.06Å; W58-L90 HydrophobicContact CH2-CD1 4.37Å; W58-L90 HydrophobicContact CZ2-CD1 3.72Å
59	H	86.6	Confident	88.8	Confident	139 Å²	139	57.5 Å²	57.5	64%	0.644	28%	0.282	S	S	*	.	H	α-helix	trans	-67.8	-29.7	172.6	-76.4	-47.4	0	0	0	113	M55 Q56	M55-H59 WeakPolarHBondContact O-CB 3.47Å; M55-H59 PolarHBondContact O-CD2 2.95Å; M55-H59 PolarHBondContact O-N 3.3Å; Q56-H59 PolarHBondContact O-N 2.75Å
60	Q	84.9	Confident	89	Confident	113 Å²	113	51.4 Å²	51.4	53%	0.528	26%	0.26	S	S	.	.	H	α-helix	trans	-79.5	-39.3	175.9	-69.9	177.4	19.2	0	0	112.2	Q56 L57 W58	Q56-Q60 VanDerWaalsContact O-CG 3.32Å; Q56-Q60 WeakPolarHBondContact O-CG 3.37Å; Q56-Q60 PolarHBondContact O-N 3.36Å; Q56-Q60 VanDerWaalsContact O-N 3.11Å; L57-Q60 PolarHBondContact O-N 2.83Å; W58-Q60 VanDerWaalsContact C-N 3.29Å; W58-Q60 PolarHBondContact O-N 3.24Å
61	D	85.6	Confident	89.1	Confident	74 Å²	74	51.4 Å²	51.4	40%	0.396	26%	0.26	S	S	.	.			trans	-138.6	91.1	177.7	-177.6	4.1	0	0	0	110.6	L57 W58 E63 N64	L57-D61 PolarHBondContact O-N 2.98Å; W58-D61 CarbonylContact O-C 3.53Å; D61-E63 PolarHBondContact O-N 3.04Å; D61-E63 VanDerWaalsContact O-N 3.15Å; D61-E63 PolarHBondContact OD1-N 3.18Å; D61-E63 VanDerWaalsContact OD1-N 3.09Å; D61-N64 HydrophobicContact CB-CB 4.14Å; D61-N64 WeakPolarHBondContact O-CB 3.48Å; D61-N64 PolarHBondContact O-N 3.46Å; D61-N64 PolarHBondContact OD1-N 3.1Å
62	P	84.7	Confident	89.2	Confident	72 Å²	72	50 Å²	50	47%	0.468	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.7	179.4	-24.8	34.8	0	0	0	114.7	W58	W58-P62 VanDerWaalsContact CD1-CA 3.49Å; W58-P62 PolarHBondContact NE1-O 2.93Å; W58-P62 VanDerWaalsContact O-CA 3.24Å; W58-P62 WeakPolarHBondContact O-CA 3.14Å; W58-P62 WeakPolarHBondContact O-CD 3.24Å; W58-P62 WeakPolarHBondContact O-CG 3.4Å
63	E	84.6	Confident	89.4	Confident	128 Å²	128	46.1 Å²	46.1	60%	0.598	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-6.6	-177.5	-48.1	-160.8	145.2	0	0	112.6	D61 T65	D61-E63 PolarHBondContact O-N 3.04Å; D61-E63 VanDerWaalsContact O-N 3.15Å; D61-E63 PolarHBondContact OD1-N 3.18Å; D61-E63 VanDerWaalsContact OD1-N 3.09Å; E63-T65 PolarHBondContact O-N 3.27Å
64	N	88	Confident	89.6	Confident	32 Å²	32	44.2 Å²	44.2	17%	0.171	23%	0.229	C	C	.	.			trans	-64.5	100	179.1	-171.8	-26.9	0	0	0	112	D61 S66 T67 L68	D61-N64 HydrophobicContact CB-CB 4.14Å; D61-N64 WeakPolarHBondContact O-CB 3.48Å; D61-N64 PolarHBondContact O-N 3.46Å; D61-N64 PolarHBondContact OD1-N 3.1Å; N64-S66 VanDerWaalsContact C-N 3.32Å; N64-S66 PolarHBondContact O-N 2.88Å; N64-S66 PolarHBondContact OD1-N 2.85Å; N64-S66 VanDerWaalsContact OD1-N 3.09Å; N64-S66 PolarHBondContact OD1-OG 3.29Å; N64-T67 VanDerWaalsContact CG-OG1 3.27Å; N64-T67 PolarHBondContact ND2-OG1 3.21Å; N64-T67 PolarHBondContact O-N 3.39Å; N64-T67 PolarHBondContact OD1-N 3.49Å; N64-T67 PolarHBondContact OD1-OG1 2.93Å; N64-L68 WeakPolarHBondContact O-CG 3.1Å; N64-L68 PolarHBondContact O-N 2.89Å; N64-L68 VanDerWaalsContact O-N 3.11Å
65	T	88.9	Confident	89.8	Confident	39 Å²	39	44.3 Å²	44.3	24%	0.239	23%	0.23	C	C	.	.	H	α-helix	trans	-63.3	-34	-177.7	54.4	0	0	0	0	113.6	E63 L68 L69 Q94 N95 M98	E63-T65 PolarHBondContact O-N 3.27Å; T65-L68 PolarHBondContact O-N 3.29Å; T65-L69 PolarHBondContact O-N 3.4Å; T65-Q94 HydrophobicContact CG2-CB 3.88Å; T65-N95 HydrophobicContact CG2-CB 3.8Å; T65-M98 HydrophobicContact CG2-CE 4.37Å
66	S	88	Confident	89.9	Confident	71 Å²	71	43.9 Å²	43.9	50%	0.497	23%	0.226	S	C	.	.	H	α-helix	trans	-67.7	-39.8	178.9	69.3	0	0	0	0	112	N64 L69 L70	N64-S66 VanDerWaalsContact C-N 3.32Å; N64-S66 PolarHBondContact O-N 2.88Å; N64-S66 PolarHBondContact OD1-N 2.85Å; N64-S66 VanDerWaalsContact OD1-N 3.09Å; N64-S66 PolarHBondContact OD1-OG 3.29Å; S66-L69 PolarHBondContact O-N 3.28Å; S66-L70 PolarHBondContact O-N 3.23Å
67	T	90.4	Very high	90.1	Very high	4 Å²	4	43.6 Å²	43.6	3%	0.025	23%	0.225	C	C	.	.	H	α-helix	trans	-65.4	-43.3	173	-57.2	0	0	0	0	111.1	C54 L57 W58 N64 L69 L70 L71	C54-T67 HydrophobicContact CB-CG2 4.04Å; C54-T67 WeakPolarHBondContact O-CG2 3.34Å; L57-T67 HydrophobicContact CB-CG2 3.76Å; W58-T67 HydrophobicContact CB-CG2 4.06Å; N64-T67 VanDerWaalsContact CG-OG1 3.27Å; N64-T67 PolarHBondContact ND2-OG1 3.21Å; N64-T67 PolarHBondContact O-N 3.39Å; N64-T67 PolarHBondContact OD1-N 3.49Å; N64-T67 PolarHBondContact OD1-OG1 2.93Å; T67-L69 PolarHBondContact O-N 3.14Å; T67-L70 PolarHBondContact O-N 3.02Å; T67-L71 HydrophobicContact CG2-CD1 4.24Å; T67-L71 WeakPolarHBondContact O-CG 3.03Å; T67-L71 PolarHBondContact O-N 3.1Å
68	L	93.8	Very high	90.4	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-62.2	-40.4	176.8	-68.9	170.4	0	0	0	112.3	W58 N64 T65 S72 F87 L90 A91 Q94	W58-L68 HydrophobicContact CG-CD2 4.41Å; N64-L68 WeakPolarHBondContact O-CG 3.1Å; N64-L68 PolarHBondContact O-N 2.89Å; N64-L68 VanDerWaalsContact O-N 3.11Å; T65-L68 PolarHBondContact O-N 3.29Å; L68-S72 WeakPolarHBondContact O-CB 3.46Å; L68-S72 PolarHBondContact O-N 2.82Å; L68-F87 HydrophobicContact CD2-CD1 3.81Å; L68-F87 HydrophobicContact CD2-CE1 4.49Å; L68-L90 HydrophobicContact CD1-CB 4.15Å; L68-L90 HydrophobicContact CD2-CB 4.04Å; L68-L90 HydrophobicContact CD2-CD1 4.18Å; L68-A91 HydrophobicContact CB-CB 3.83Å; L68-A91 HydrophobicContact CD1-CB 4.45Å; L68-Q94 HydrophobicContact CD1-CG 4.26Å
69	L	92.7	Very high	90.6	Very high	29 Å²	29	51.2 Å²	51.2	15%	0.152	26%	0.259	C	S	.	.	H	α-helix	trans	-61.6	-46.7	173.2	-82.3	176.1	0	0	0	112.1	T65 S66 T67 S72 S73 M98 E100 A101	T65-L69 PolarHBondContact O-N 3.4Å; S66-L69 PolarHBondContact O-N 3.28Å; T67-L69 PolarHBondContact O-N 3.14Å; L69-S72 WeakPolarHBondContact O-CB 3.37Å; L69-S72 PolarHBondContact O-N 2.99Å; L69-S73 PolarHBondContact O-N 2.91Å; L69-S73 PolarHBondContact O-OG 3.48Å; L69-M98 HydrophobicContact CD1-CE 3.44Å; L69-M98 VanDerWaalsContact CD1-CE 3.44Å; L69-M98 HydrophobicContact CD1-CG 4.08Å; L69-M98 HydrophobicContact CD1-SD 3.5Å; L69-M98 WeakPolarHBondContact CD1-SD 3.5Å; L69-M98 HydrophobicContact CD2-CE 3.73Å; L69-M98 HydrophobicContact CG-CE 3.31Å; L69-M98 HydrophobicContact CG-SD 4.1Å; L69-E100 HydrophobicContact CD1-CB 3.95Å; L69-E100 HydrophobicContact CD2-CB 3.95Å; L69-A101 HydrophobicContact CD2-CB 3.76Å
70	L	93	Very high	90.9	Very high	13 Å²	13	49.7 Å²	49.7	7%	0.068	25%	0.248	C	C	.	.	H	α-helix	trans	-64.8	-42.4	-179.4	-173	55.8	0	0	0	111.1	A38 Y42 C54 S66 T67 S72 S73 I74	A38-L70 HydrophobicContact CB-CD2 3.94Å; Y42-L70 HydrophobicContact CD1-CD1 3.92Å; Y42-L70 HydrophobicContact CD2-CD1 4.03Å; Y42-L70 HydrophobicContact CG-CD1 3.66Å; C54-L70 WeakPolarHBondContact SG-CD2 3.33Å; S66-L70 PolarHBondContact O-N 3.23Å; T67-L70 PolarHBondContact O-N 3.02Å; L70-S72 VanDerWaalsContact C-N 3.31Å; L70-S72 PolarHBondContact O-N 3.35Å; L70-S73 PolarHBondContact O-N 3.45Å; L70-I74 HydrophobicContact CD1-CD1 4.34Å; L70-I74 HydrophobicContact CD1-CG1 4.41Å; L70-I74 HydrophobicContact CG-CD1 3.9Å; L70-I74 HydrophobicContact CG-CG1 4.45Å; L70-I74 WeakPolarHBondContact O-CB 3.31Å; L70-I74 WeakPolarHBondContact O-CD1 3.34Å; L70-I74 VanDerWaalsContact O-CG1 3.24Å; L70-I74 WeakPolarHBondContact O-CG1 3.16Å; L70-I74 PolarHBondContact O-N 2.85Å
71	L	93.9	Very high	91.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.1	-44.5	171.2	-76.6	169.1	0	0	0	111.7	E51 C54 M55 W58 T67 S73 I74 H75 F87	E51-L71 HydrophobicContact CG-CD2 4.46Å; C54-L71 HydrophobicContact CB-CD1 4.33Å; C54-L71 HydrophobicContact CB-CD2 3.42Å; C54-L71 VanDerWaalsContact CB-CD2 3.42Å; C54-L71 HydrophobicContact CB-CG 3.64Å; M55-L71 HydrophobicContact CG-CD2 4.19Å; M55-L71 HydrophobicContact SD-CD1 4.26Å; M55-L71 HydrophobicContact SD-CD2 4.05Å; W58-L71 HydrophobicContact CB-CD1 4.11Å; W58-L71 HydrophobicContact CD2-CD1 4.47Å; W58-L71 HydrophobicContact CG-CD1 4.27Å; T67-L71 HydrophobicContact CG2-CD1 4.24Å; T67-L71 WeakPolarHBondContact O-CG 3.03Å; T67-L71 PolarHBondContact O-N 3.1Å; L71-S73 VanDerWaalsContact C-N 3.35Å; L71-S73 PolarHBondContact O-N 3.45Å; L71-I74 PolarHBondContact O-N 2.88Å; L71-H75 WeakPolarHBondContact O-CB 3.24Å; L71-H75 PolarHBondContact O-CD2 2.81Å; L71-H75 PolarHBondContact O-N 2.99Å; L71-F87 HydrophobicContact CB-CB 4.2Å; L71-F87 HydrophobicContact CB-CD1 4.14Å; L71-F87 HydrophobicContact CB-CD2 3.97Å; L71-F87 HydrophobicContact CB-CE2 4.38Å; L71-F87 HydrophobicContact CB-CG 3.84Å; L71-F87 HydrophobicContact CD1-CD1 3.93Å; L71-F87 HydrophobicContact CD1-CE1 3.74Å; L71-F87 HydrophobicContact CD1-CG 4.47Å; L71-F87 HydrophobicContact CD1-CZ 4.13Å
72	S	94.6	Very high	91.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.5	-46.7	176	-179	0	0	0	0	111.9	L68 L69 L70 F76 S84 S88	L68-S72 WeakPolarHBondContact O-CB 3.46Å; L68-S72 PolarHBondContact O-N 2.82Å; L69-S72 WeakPolarHBondContact O-CB 3.37Å; L69-S72 PolarHBondContact O-N 2.99Å; L70-S72 VanDerWaalsContact C-N 3.31Å; L70-S72 PolarHBondContact O-N 3.35Å; S72-F76 WeakPolarHBondContact O-CB 3.34Å; S72-F76 PolarHBondContact O-N 2.74Å; S72-S84 WeakPolarHBondContact O-CB 3.4Å; S72-S84 PolarHBondContact O-OG 2.83Å; S72-S84 PolarHBondContact OG-O 3.31Å; S72-S84 PolarHBondContact OG-OG 3.28Å; S72-S88 PolarHBondContact OG-OG 2.89Å
73	S	94.1	Very high	92	Very high	23 Å²	23	52.9 Å²	52.9	16%	0.161	25%	0.248	C	C	.	.	H	α-helix	trans	-66.6	-44.2	179.2	-62.1	0	0	0	0	112.2	L69 L70 L71 H75 F76 Q77 N104	L69-S73 PolarHBondContact O-N 2.91Å; L69-S73 PolarHBondContact O-OG 3.48Å; L70-S73 PolarHBondContact O-N 3.45Å; L71-S73 VanDerWaalsContact C-N 3.35Å; L71-S73 PolarHBondContact O-N 3.45Å; S73-H75 PolarHBondContact O-N 2.89Å; S73-F76 WeakPolarHBondContact O-CB 3.23Å; S73-F76 PolarHBondContact O-N 3.1Å; S73-Q77 WeakPolarHBondContact O-CG 3.41Å; S73-Q77 PolarHBondContact O-N 2.99Å; S73-N104 PolarHBondContact OG-ND2 2.85Å; S73-N104 VanDerWaalsContact OG-ND2 3.17Å
74	I	94	Very high	92.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-56.1	-51.8	174.8	-72.3	162.8	0	0	0	110.2	Y42 A50 E51 L70 L71 F76 Q77 C78	Y42-I74 HydrophobicContact CD2-CG1 3.57Å; Y42-I74 HydrophobicContact CE2-CG1 4.17Å; Y42-I74 HydrophobicContact CG-CG1 4.48Å; A50-I74 HydrophobicContact CB-CD1 3.69Å; A50-I74 HydrophobicContact CB-CG1 4.3Å; E51-I74 HydrophobicContact CB-CG2 4.12Å; L70-I74 HydrophobicContact CD1-CD1 4.34Å; L70-I74 HydrophobicContact CD1-CG1 4.41Å; L70-I74 HydrophobicContact CG-CD1 3.9Å; L70-I74 HydrophobicContact CG-CG1 4.45Å; L70-I74 WeakPolarHBondContact O-CB 3.31Å; L70-I74 WeakPolarHBondContact O-CD1 3.34Å; L70-I74 VanDerWaalsContact O-CG1 3.24Å; L70-I74 WeakPolarHBondContact O-CG1 3.16Å; L70-I74 PolarHBondContact O-N 2.85Å; L71-I74 PolarHBondContact O-N 2.88Å; I74-F76 VanDerWaalsContact C-N 3.27Å; I74-F76 PolarHBondContact O-N 3.24Å; I74-Q77 PolarHBondContact O-N 3.3Å; I74-C78 PolarHBondContact O-N 2.81Å; I74-C78 PolarHBondContact O-SG 2.9Å; I74-C78 VanDerWaalsContact O-SG 3.41Å
75	H	94.7	Very high	92.8	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-64.3	-32	179.6	-78.8	-58.5	0	0	0	113.1	E51 L71 S73 R79 R80 R83 F87	E51-H75 IonicContact OE1-CE1 3.83Å; E51-H75 PolarHBondContact OE1-CE1 2.88Å; E51-H75 IonicContact OE1-NE2 2.7Å; L71-H75 WeakPolarHBondContact O-CB 3.24Å; L71-H75 PolarHBondContact O-CD2 2.81Å; L71-H75 PolarHBondContact O-N 2.99Å; S73-H75 PolarHBondContact O-N 2.89Å; H75-R79 PolarHBondContact O-N 3.46Å; H75-R80 HydrophobicContact CB-CB 4.28Å; H75-R80 WeakPolarHBondContact O-CA 3.32Å; H75-R80 PolarHBondContact O-N 2.91Å; H75-R83 HydrophobicContact CB-CB 4.17Å; H75-R83 VanDerWaalsContact CE1-CD 3.47Å; H75-R83 WeakPolarHBondContact CE1-CD 3.3Å; H75-F87 AromaticContact CD2-CD2 3.44Å; H75-F87 VanDerWaalsContact CD2-CD2 3.44Å; H75-F87 WeakPolarHBondContact CD2-CD2 3.48Å; H75-F87 AromaticContact CD2-CE2 3.43Å; H75-F87 VanDerWaalsContact CD2-CE2 3.43Å; H75-F87 WeakPolarHBondContact CD2-CE2 3.29Å; H75-F87 AromaticContact NE2-CD2 3.9Å; H75-F87 AromaticContact NE2-CE2 3.35Å; H75-F87 VanDerWaalsContact NE2-CE2 3.35Å; H75-F87 WeakPolarHBondContact NE2-CE2 3.43Å
76	F	93.6	Very high	93.1	Very high	40 Å²	40	49.3 Å²	49.3	18%	0.175	23%	0.225	C	C	.	.	H	α-helix	trans	-63.7	-49.7	172.7	-174.9	-97	0	0	0	111.2	S72 S73 I74 C78 R79 M81 N107 V108 E111	S72-F76 WeakPolarHBondContact O-CB 3.34Å; S72-F76 PolarHBondContact O-N 2.74Å; S73-F76 WeakPolarHBondContact O-CB 3.23Å; S73-F76 PolarHBondContact O-N 3.1Å; I74-F76 VanDerWaalsContact C-N 3.27Å; I74-F76 PolarHBondContact O-N 3.24Å; F76-C78 VanDerWaalsContact C-N 3.29Å; F76-C78 PolarHBondContact O-N 3.18Å; F76-R79 PolarHBondContact O-N 2.67Å; F76-M81 HydrophobicContact CD2-SD 4.04Å; F76-M81 HydrophobicContact CE2-CE 4.38Å; F76-M81 HydrophobicContact CE2-SD 4.18Å; F76-N107 HydrophobicContact CD2-CB 4.25Å; F76-N107 HydrophobicContact CE1-CB 4.47Å; F76-N107 HydrophobicContact CE2-CB 3.65Å; F76-N107 HydrophobicContact CZ-CB 3.78Å; F76-V108 HydrophobicContact CD2-CG2 3.93Å; F76-V108 HydrophobicContact CE2-CG2 4.49Å; F76-E111 HydrophobicContact CE2-CB 4.43Å; F76-E111 HydrophobicContact CE2-CG 3.65Å; F76-E111 HydrophobicContact CZ-CG 3.62Å
77	Q	91.9	Very high	93.5	Very high	88 Å²	88	46.4 Å²	46.4	41%	0.411	20%	0.204	S	C	.	.	H	α-helix	trans	-61	-37.7	177.8	-63.5	-59.1	-13.1	0	0	112.3	Y42 Y47 S73 I74 R79	Y42-Q77 HydrophobicContact CE2-CG 3.97Å; Y47-Q77 HydrophobicContact CD1-CB 4.29Å; Y47-Q77 HydrophobicContact CD2-CB 4.3Å; Y47-Q77 HydrophobicContact CE1-CB 3.82Å; Y47-Q77 HydrophobicContact CE1-CG 3.91Å; Y47-Q77 HydrophobicContact CE2-CB 3.81Å; S73-Q77 WeakPolarHBondContact O-CG 3.41Å; S73-Q77 PolarHBondContact O-N 2.99Å; I74-Q77 PolarHBondContact O-N 3.3Å; Q77-R79 PolarHBondContact O-N 3.49Å
78	C	92.4	Very high	93.7	Very high	38 Å²	38	46.2 Å²	46.2	26%	0.257	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	8.2	174.2	-62.7	0	0	0	0	114.6	Y47 I74 F76 R80	Y47-C78 VanDerWaalsContact CB-SG 3.54Å; I74-C78 PolarHBondContact O-N 2.81Å; I74-C78 PolarHBondContact O-SG 2.9Å; I74-C78 VanDerWaalsContact O-SG 3.41Å; F76-C78 VanDerWaalsContact C-N 3.29Å; F76-C78 PolarHBondContact O-N 3.18Å; C78-R80 HydrophobicContact CB-CG 4.19Å; C78-R80 PolarHBondContact O-N 2.88Å
79	R	91.6	Very high	93.7	Very high	171 Å²	171	51.3 Å²	51.3	65%	0.645	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	22.3	-177.8	-57.2	-70.3	-171.5	166.7	-4.4	114.7	H75 F76 Q77 M81 E111	H75-R79 PolarHBondContact O-N 3.46Å; F76-R79 PolarHBondContact O-N 2.67Å; Q77-R79 PolarHBondContact O-N 3.49Å; R79-M81 PolarHBondContact O-N 3.13Å; R79-E111 IonicContact CZ-OE2 2.89Å; R79-E111 IonicContact NH1-OE2 3.78Å; R79-E111 PolarHBondContact NH1-OE2 3.31Å
80	R	93.3	Very high	93.8	Very high	106 Å²	106	51.7 Å²	51.7	40%	0.4	23%	0.228	S	C	.	.			trans	-94.4	69.3	179.4	-62.8	170.8	-170.9	165.4	3.6	110.7	E51 H75 C78 E82 R83 S84	E51-R80 IonicContact OE1-NH1 2.68Å; E51-R80 PolarHBondContact OE1-NH1 3.03Å; E51-R80 IonicContact OE2-CZ 3.87Å; E51-R80 IonicContact OE2-NH1 3.74Å; E51-R80 PolarHBondContact OE2-NH1 2.94Å; H75-R80 HydrophobicContact CB-CB 4.28Å; H75-R80 WeakPolarHBondContact O-CA 3.32Å; H75-R80 PolarHBondContact O-N 2.91Å; C78-R80 HydrophobicContact CB-CG 4.19Å; C78-R80 PolarHBondContact O-N 2.88Å; R80-E82 PolarHBondContact O-N 2.62Å; R80-R83 PolarHBondContact O-N 3.25Å; R80-S84 PolarHBondContact O-N 2.89Å
81	M	92.8	Very high	93.8	Very high	32 Å²	32	51 Å²	51	16%	0.158	23%	0.225	C	C	.	.	H	α-helix	trans	-58	-39.6	-168.2	-59.7	-53.5	171.2	0	0	114.7	F76 R79 S84 A85 V108 E111 R112	F76-M81 HydrophobicContact CD2-SD 4.04Å; F76-M81 HydrophobicContact CE2-CE 4.38Å; F76-M81 HydrophobicContact CE2-SD 4.18Å; R79-M81 PolarHBondContact O-N 3.13Å; M81-S84 PolarHBondContact O-N 3.29Å; M81-A85 WeakPolarHBondContact O-CB 3.45Å; M81-A85 PolarHBondContact O-N 3.46Å; M81-V108 HydrophobicContact CB-CG1 4.01Å; M81-V108 HydrophobicContact SD-CG1 4.48Å; M81-E111 HydrophobicContact CE-CB 3.72Å; M81-E111 HydrophobicContact CE-CG 3.95Å; M81-E111 HydrophobicContact SD-CB 4.18Å; M81-R112 PolarHBondContact O-NH2 2.78Å
82	E	92.4	Very high	93.8	Very high	157 Å²	157	52.3 Å²	52.3	73%	0.734	23%	0.231	S	C	*	.	H	α-helix	trans	-64.3	-43.9	179.4	-69.5	178.4	-177.4	0	0	112.9	R80 A85 Y86 R112	R80-E82 PolarHBondContact O-N 2.62Å; E82-A85 PolarHBondContact O-N 3.32Å; E82-Y86 WeakPolarHBondContact O-CB 3.47Å; E82-Y86 PolarHBondContact O-N 3.46Å; E82-R112 VanDerWaalsContact CA-NH2 3.27Å; E82-R112 VanDerWaalsContact CG-NH2 3.34Å
83	R	93.7	Very high	93.7	Very high	137 Å²	137	60.2 Å²	60.2	52%	0.517	27%	0.266	S	S	.	.	H	α-helix	trans	-67.5	-40.9	176	-73.4	-170.6	-178.2	166.1	3.5	111.3	E51 H75 R80 A85 Y86 F87	E51-R83 IonicContact OE1-NH1 3.55Å; H75-R83 HydrophobicContact CB-CB 4.17Å; H75-R83 VanDerWaalsContact CE1-CD 3.47Å; H75-R83 WeakPolarHBondContact CE1-CD 3.3Å; R80-R83 PolarHBondContact O-N 3.25Å; R83-A85 PolarHBondContact O-N 2.96Å; R83-Y86 WeakPolarHBondContact O-CB 3.43Å; R83-Y86 PolarHBondContact O-N 3.45Å; R83-F87 HydrophobicContact CB-CD2 4.45Å; R83-F87 HydrophobicContact CB-CE2 4.34Å; R83-F87 WeakPolarHBondContact O-CD2 3.48Å; R83-F87 PolarHBondContact O-N 3.15Å
84	S	95.6	Very high	93.5	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.4	-48.7	176.1	-174.6	0	0	0	0	111.6	S72 R80 M81 Y86 F87 S88 V108	S72-S84 WeakPolarHBondContact O-CB 3.4Å; S72-S84 PolarHBondContact O-OG 2.83Å; S72-S84 PolarHBondContact OG-O 3.31Å; S72-S84 PolarHBondContact OG-OG 3.28Å; R80-S84 PolarHBondContact O-N 2.89Å; M81-S84 PolarHBondContact O-N 3.29Å; S84-Y86 VanDerWaalsContact C-N 3.35Å; S84-Y86 PolarHBondContact O-N 2.9Å; S84-F87 PolarHBondContact O-N 2.95Å; S84-S88 WeakPolarHBondContact O-CB 3.28Å; S84-S88 PolarHBondContact O-N 3.22Å; S84-S88 PolarHBondContact O-OG 2.88Å; S84-V108 VanDerWaalsContact OG-CG2 3.32Å; S84-V108 WeakPolarHBondContact OG-CG2 3.17Å
85	A	94.4	Very high	93.4	Very high	8 Å²	8	65.8 Å²	65.8	7%	0.066	29%	0.291	C	S	.	.	H	α-helix	trans	-60.5	-42.5	174.8	0	0	0	0	0	112.5	M81 E82 R83 S88 Q89 L105 V108	M81-A85 WeakPolarHBondContact O-CB 3.45Å; M81-A85 PolarHBondContact O-N 3.46Å; E82-A85 PolarHBondContact O-N 3.32Å; R83-A85 PolarHBondContact O-N 2.96Å; A85-S88 PolarHBondContact O-N 2.95Å; A85-Q89 WeakPolarHBondContact O-CB 3.43Å; A85-Q89 VanDerWaalsContact O-CG 3.29Å; A85-Q89 WeakPolarHBondContact O-CG 3.47Å; A85-Q89 PolarHBondContact O-N 3.42Å; A85-L105 HydrophobicContact CB-CD1 3.9Å; A85-V108 HydrophobicContact CB-CG1 4.07Å
86	Y	95.1	Very high	93.3	Very high	117 Å²	117	69.3 Å²	69.3	46%	0.459	31%	0.314	S	S	.	.	H	α-helix	trans	-59	-49	178.3	177.2	-105.9	0	0	0	112	W58 E82 R83 S84 Q89 L90	W58-Y86 HydrophobicContact CH2-CE1 4.35Å; E82-Y86 WeakPolarHBondContact O-CB 3.47Å; E82-Y86 PolarHBondContact O-N 3.46Å; R83-Y86 WeakPolarHBondContact O-CB 3.43Å; R83-Y86 PolarHBondContact O-N 3.45Å; S84-Y86 VanDerWaalsContact C-N 3.35Å; S84-Y86 PolarHBondContact O-N 2.9Å; Y86-Q89 PolarHBondContact O-N 3.27Å; Y86-L90 HydrophobicContact CD1-CD1 3.99Å; Y86-L90 HydrophobicContact CE1-CD1 3.41Å; Y86-L90 VanDerWaalsContact CE1-CD1 3.41Å; Y86-L90 HydrophobicContact CE1-CG 4.25Å; Y86-L90 HydrophobicContact CE2-CD1 4.35Å; Y86-L90 HydrophobicContact CE2-CG 4.42Å; Y86-L90 WeakPolarHBondContact O-CG 3.41Å; Y86-L90 PolarHBondContact O-N 3.27Å
87	F	95	Very high	93.2	Very high	10 Å²	10	73.8 Å²	73.8	4%	0.044	34%	0.339	C	S	.	.	H	α-helix	trans	-69.6	-35.3	178.7	-70.5	-64.4	0	0	0	112.9	M55 W58 L68 L71 H75 R83 S84 L90 A91	M55-F87 HydrophobicContact SD-CZ 4.2Å; W58-F87 HydrophobicContact CD2-CE1 4.18Å; W58-F87 AromaticContact CE3-CE1 3.88Å; W58-F87 HydrophobicContact CE3-CE1 3.88Å; W58-F87 HydrophobicContact CE3-CZ 4.39Å; W58-F87 AromaticContact CH2-CE1 3.82Å; W58-F87 HydrophobicContact CH2-CE1 3.82Å; W58-F87 HydrophobicContact CH2-CZ 4.46Å; W58-F87 HydrophobicContact CZ2-CE1 4.12Å; W58-F87 AromaticContact CZ3-CE1 3.69Å; W58-F87 HydrophobicContact CZ3-CE1 3.69Å; W58-F87 HydrophobicContact CZ3-CZ 4.06Å; L68-F87 HydrophobicContact CD2-CD1 3.81Å; L68-F87 HydrophobicContact CD2-CE1 4.49Å; L71-F87 HydrophobicContact CB-CB 4.2Å; L71-F87 HydrophobicContact CB-CD1 4.14Å; L71-F87 HydrophobicContact CB-CD2 3.97Å; L71-F87 HydrophobicContact CB-CE2 4.38Å; L71-F87 HydrophobicContact CB-CG 3.84Å; L71-F87 HydrophobicContact CD1-CD1 3.93Å; L71-F87 HydrophobicContact CD1-CE1 3.74Å; L71-F87 HydrophobicContact CD1-CG 4.47Å; L71-F87 HydrophobicContact CD1-CZ 4.13Å; H75-F87 AromaticContact CD2-CD2 3.44Å; H75-F87 VanDerWaalsContact CD2-CD2 3.44Å; H75-F87 WeakPolarHBondContact CD2-CD2 3.48Å; H75-F87 AromaticContact CD2-CE2 3.43Å; H75-F87 VanDerWaalsContact CD2-CE2 3.43Å; H75-F87 WeakPolarHBondContact CD2-CE2 3.29Å; H75-F87 AromaticContact NE2-CD2 3.9Å; H75-F87 AromaticContact NE2-CE2 3.35Å; H75-F87 VanDerWaalsContact NE2-CE2 3.35Å; H75-F87 WeakPolarHBondContact NE2-CE2 3.43Å; R83-F87 HydrophobicContact CB-CD2 4.45Å; R83-F87 HydrophobicContact CB-CE2 4.34Å; R83-F87 WeakPolarHBondContact O-CD2 3.48Å; R83-F87 PolarHBondContact O-N 3.15Å; S84-F87 PolarHBondContact O-N 2.95Å; F87-L90 HydrophobicContact CD1-CD1 4.16Å; F87-L90 PolarHBondContact O-N 3.43Å; F87-A91 VanDerWaalsContact O-CB 3.31Å; F87-A91 WeakPolarHBondContact O-CB 3.3Å; F87-A91 PolarHBondContact O-N 3.47Å
88	S	94.7	Very high	93.2	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-59.7	-44	169.9	-79.3	0	0	0	0	112.2	S72 S84 A85 A91 I92 N104	S72-S88 PolarHBondContact OG-OG 2.89Å; S84-S88 WeakPolarHBondContact O-CB 3.28Å; S84-S88 PolarHBondContact O-N 3.22Å; S84-S88 PolarHBondContact O-OG 2.88Å; A85-S88 PolarHBondContact O-N 2.95Å; S88-A91 WeakPolarHBondContact O-CB 3.37Å; S88-A91 PolarHBondContact O-N 2.86Å; S88-I92 VanDerWaalsContact O-CG1 3.27Å; S88-I92 WeakPolarHBondContact O-CG1 3.48Å; S88-I92 PolarHBondContact O-N 2.7Å; S88-N104 WeakPolarHBondContact OG-CB 3.25Å
89	Q	95.2	Very high	93.2	Very high	107 Å²	107	68.6 Å²	68.6	50%	0.5	31%	0.312	S	S	.	.	H	α-helix	trans	-67.7	-38.5	178.5	-74	174.1	2.2	0	0	112.3	A85 Y86 I92 K93 L105	A85-Q89 WeakPolarHBondContact O-CB 3.43Å; A85-Q89 VanDerWaalsContact O-CG 3.29Å; A85-Q89 WeakPolarHBondContact O-CG 3.47Å; A85-Q89 PolarHBondContact O-N 3.42Å; Y86-Q89 PolarHBondContact O-N 3.27Å; Q89-I92 PolarHBondContact O-N 2.83Å; Q89-K93 WeakPolarHBondContact O-CB 3.22Å; Q89-K93 PolarHBondContact O-N 2.86Å; Q89-L105 HydrophobicContact CG-CD2 4.34Å
90	L	94.2	Very high	93.3	Very high	37 Å²	37	63.5 Å²	63.5	19%	0.194	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-44.7	171.6	-73.9	178.8	0	0	0	111.2	W58 L68 Y86 F87 I92 K93 Q94	W58-L90 HydrophobicContact CH2-CD1 4.37Å; W58-L90 HydrophobicContact CZ2-CD1 3.72Å; L68-L90 HydrophobicContact CD1-CB 4.15Å; L68-L90 HydrophobicContact CD2-CB 4.04Å; L68-L90 HydrophobicContact CD2-CD1 4.18Å; Y86-L90 HydrophobicContact CD1-CD1 3.99Å; Y86-L90 HydrophobicContact CE1-CD1 3.41Å; Y86-L90 VanDerWaalsContact CE1-CD1 3.41Å; Y86-L90 HydrophobicContact CE1-CG 4.25Å; Y86-L90 HydrophobicContact CE2-CD1 4.35Å; Y86-L90 HydrophobicContact CE2-CG 4.42Å; Y86-L90 WeakPolarHBondContact O-CG 3.41Å; Y86-L90 PolarHBondContact O-N 3.27Å; F87-L90 HydrophobicContact CD1-CD1 4.16Å; F87-L90 PolarHBondContact O-N 3.43Å; L90-I92 VanDerWaalsContact C-N 3.34Å; L90-I92 PolarHBondContact O-N 2.61Å; L90-K93 PolarHBondContact O-N 2.75Å; L90-Q94 WeakPolarHBondContact O-CG 3.29Å; L90-Q94 PolarHBondContact O-N 3.23Å
91	A	92.6	Very high	93.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.3	-44.1	176.6	0	0	0	0	0	111.9	L68 F87 S88 Q94 N95 M98 A101	L68-A91 HydrophobicContact CB-CB 3.83Å; L68-A91 HydrophobicContact CD1-CB 4.45Å; F87-A91 VanDerWaalsContact O-CB 3.31Å; F87-A91 WeakPolarHBondContact O-CB 3.3Å; F87-A91 PolarHBondContact O-N 3.47Å; S88-A91 WeakPolarHBondContact O-CB 3.37Å; S88-A91 PolarHBondContact O-N 2.86Å; A91-Q94 PolarHBondContact O-N 3.36Å; A91-N95 PolarHBondContact O-N 3.29Å; A91-M98 HydrophobicContact CB-CE 3.61Å; A91-A101 HydrophobicContact CB-CB 3.93Å
92	I	93.4	Very high	93.5	Very high	26 Å²	26	58.4 Å²	58.4	13%	0.133	27%	0.274	C	S	.	.	H	α-helix	trans	-63.8	-41.9	175.2	-69.7	162.3	0	0	0	111.3	S88 Q89 L90 Q94 N95 P96 A101 Y102 L105	S88-I92 VanDerWaalsContact O-CG1 3.27Å; S88-I92 WeakPolarHBondContact O-CG1 3.48Å; S88-I92 PolarHBondContact O-N 2.7Å; Q89-I92 PolarHBondContact O-N 2.83Å; L90-I92 VanDerWaalsContact C-N 3.34Å; L90-I92 PolarHBondContact O-N 2.61Å; I92-Q94 VanDerWaalsContact C-N 3.29Å; I92-Q94 PolarHBondContact O-N 3.1Å; I92-N95 CarbonylContact O-C 3.56Å; I92-N95 PolarHBondContact O-N 3.05Å; I92-P96 WeakPolarHBondContact O-CA 3.28Å; I92-P96 WeakPolarHBondContact O-CD 3.38Å; I92-A101 HydrophobicContact CD1-CB 4.38Å; I92-A101 HydrophobicContact CG1-CB 3.67Å; I92-Y102 HydrophobicContact CD1-CD1 3.71Å; I92-Y102 HydrophobicContact CD1-CE1 3.8Å; I92-Y102 HydrophobicContact CD1-CG 4.12Å; I92-Y102 HydrophobicContact CG1-CD1 4.27Å; I92-Y102 HydrophobicContact CG1-CD2 4.28Å; I92-Y102 HydrophobicContact CG1-CE1 4.1Å; I92-Y102 HydrophobicContact CG1-CE2 4.11Å; I92-Y102 HydrophobicContact CG1-CG 4.37Å; I92-Y102 HydrophobicContact CG2-CE1 3.94Å; I92-Y102 HydrophobicContact CG2-CE2 4.3Å; I92-Y102 WeakPolarHBondContact CG2-OH 3.19Å; I92-L105 HydrophobicContact CD1-CD2 3.87Å
93	K	92.7	Very high	93.6	Very high	167 Å²	167	51 Å²	51	73%	0.726	24%	0.24	S	C	*	.	H	α-helix	trans	-62.3	-38.4	179.2	-173.7	-179.9	177.1	-175.1	0	111.6	Q89 L90	Q89-K93 WeakPolarHBondContact O-CB 3.22Å; Q89-K93 PolarHBondContact O-N 2.86Å; L90-K93 PolarHBondContact O-N 2.75Å
94	Q	91.1	Very high	93.7	Very high	84 Å²	84	45.8 Å²	45.8	39%	0.393	22%	0.223	S	C	.	.	H	α-helix	trans	-78.8	-36.3	178.1	-62.1	-61.2	29.9	0	0	113.1	T65 L68 L90 A91 I92	T65-Q94 HydrophobicContact CG2-CB 3.88Å; L68-Q94 HydrophobicContact CD1-CG 4.26Å; L90-Q94 WeakPolarHBondContact O-CG 3.29Å; L90-Q94 PolarHBondContact O-N 3.23Å; A91-Q94 PolarHBondContact O-N 3.36Å; I92-Q94 VanDerWaalsContact C-N 3.29Å; I92-Q94 PolarHBondContact O-N 3.1Å
95	N	91.8	Very high	93.7	Very high	56 Å²	56	46.3 Å²	46.3	30%	0.299	23%	0.225	S	C	.	.			trans	-137.4	94.9	173.7	-177.3	5.4	0	0	0	111.4	T65 A91 I92 L97 M98	T65-N95 HydrophobicContact CG2-CB 3.8Å; A91-N95 PolarHBondContact O-N 3.29Å; I92-N95 CarbonylContact O-C 3.56Å; I92-N95 PolarHBondContact O-N 3.05Å; N95-L97 PolarHBondContact O-N 3.19Å; N95-L97 VanDerWaalsContact O-N 3.08Å; N95-L97 PolarHBondContact OD1-N 3.23Å; N95-L97 VanDerWaalsContact OD1-N 3.07Å; N95-M98 HydrophobicContact CB-CB 4.21Å; N95-M98 WeakPolarHBondContact O-CB 3.19Å; N95-M98 PolarHBondContact O-N 3.14Å; N95-M98 VanDerWaalsContact O-N 3.13Å
96	P	91.7	Very high	93.7	Very high	74 Å²	74	46 Å²	46	48%	0.481	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-13.1	178.8	-25.5	35.2	0	0	0	115	I92 Y102	I92-P96 WeakPolarHBondContact O-CA 3.28Å; I92-P96 WeakPolarHBondContact O-CD 3.38Å; P96-Y102 VanDerWaalsContact O-CE2 3.3Å; P96-Y102 WeakPolarHBondContact O-CE2 3.48Å; P96-Y102 PolarHBondContact O-OH 3Å
97	L	92	Very high	93.7	Very high	135 Å²	135	41.5 Å²	41.5	71%	0.707	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	15.6	177.9	-63.8	174	0	0	0	112.7	N95 A99 I128	N95-L97 PolarHBondContact O-N 3.19Å; N95-L97 VanDerWaalsContact O-N 3.08Å; N95-L97 PolarHBondContact OD1-N 3.23Å; N95-L97 VanDerWaalsContact OD1-N 3.07Å; L97-A99 PolarHBondContact O-N 3.45Å; L97-I128 HydrophobicContact CB-CG2 4.49Å; L97-I128 WeakPolarHBondContact O-CG2 3.46Å
98	M	92.1	Very high	93.8	Very high	15 Å²	15	41 Å²	41	7%	0.074	20%	0.204	C	C	.	.			trans	-93	94.8	-179.7	-160.2	156.5	73.8	0	0	112	T65 L69 A91 N95 E100 A101 Y102	T65-M98 HydrophobicContact CG2-CE 4.37Å; L69-M98 HydrophobicContact CD1-CE 3.44Å; L69-M98 VanDerWaalsContact CD1-CE 3.44Å; L69-M98 HydrophobicContact CD1-CG 4.08Å; L69-M98 HydrophobicContact CD1-SD 3.5Å; L69-M98 WeakPolarHBondContact CD1-SD 3.5Å; L69-M98 HydrophobicContact CD2-CE 3.73Å; L69-M98 HydrophobicContact CG-CE 3.31Å; L69-M98 HydrophobicContact CG-SD 4.1Å; A91-M98 HydrophobicContact CB-CE 3.61Å; N95-M98 HydrophobicContact CB-CB 4.21Å; N95-M98 WeakPolarHBondContact O-CB 3.19Å; N95-M98 PolarHBondContact O-N 3.14Å; N95-M98 VanDerWaalsContact O-N 3.13Å; M98-E100 VanDerWaalsContact C-N 3.28Å; M98-E100 PolarHBondContact O-N 3.37Å; M98-A101 HydrophobicContact CB-CB 4.42Å; M98-A101 HydrophobicContact CE-CB 3.95Å; M98-A101 PolarHBondContact O-N 3.49Å; M98-A101 VanDerWaalsContact O-N 3.15Å; M98-Y102 WeakPolarHBondContact O-CD2 3.5Å
99	A	92.6	Very high	93.8	Very high	2 Å²	2	42.5 Å²	42.5	2%	0.017	21%	0.211	C	C	.	.	H	α-helix	trans	-57.6	-37.8	-176.5	0	0	0	0	0	113.3	L97 A101 Y102 S103 A125 I128 K129 F132	L97-A99 PolarHBondContact O-N 3.45Å; A99-A101 PolarHBondContact O-N 3.27Å; A99-Y102 PolarHBondContact O-N 3.45Å; A99-S103 PolarHBondContact O-N 3.4Å; A99-A125 HydrophobicContact CB-CB 4.28Å; A99-A125 WeakPolarHBondContact CB-O 3.49Å; A99-A125 VanDerWaalsContact O-CB 3.31Å; A99-A125 WeakPolarHBondContact O-CB 3.19Å; A99-I128 HydrophobicContact CB-CB 4.16Å; A99-I128 HydrophobicContact CB-CG2 3.98Å; A99-K129 HydrophobicContact CB-CB 3.58Å; A99-K129 HydrophobicContact CB-CD 4.24Å; A99-F132 HydrophobicContact CB-CD1 4.33Å
100	E	93.2	Very high	93.7	Very high	64 Å²	64	40.2 Å²	40.2	30%	0.299	20%	0.199	S	C	.	.	H	α-helix	trans	-59.5	-35	179.7	-64.4	79	-174.4	0	0	111.8	L69 M98 S103 N104 K129 F132	L69-E100 HydrophobicContact CD1-CB 3.95Å; L69-E100 HydrophobicContact CD2-CB 3.95Å; M98-E100 VanDerWaalsContact C-N 3.28Å; M98-E100 PolarHBondContact O-N 3.37Å; E100-S103 PolarHBondContact O-N 3.44Å; E100-N104 WeakPolarHBondContact O-CB 3.4Å; E100-N104 PolarHBondContact O-N 3.16Å; E100-K129 IonicContact OE1-NZ 3.47Å; E100-K129 PolarHBondContact OE1-NZ 2.77Å; E100-F132 HydrophobicContact CG-CZ 4.29Å
101	A	93.6	Very high	93.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-71.4	-40.5	-179.9	0	0	0	0	0	111.9	L69 A91 I92 M98 A99 N104 L105	L69-A101 HydrophobicContact CD2-CB 3.76Å; A91-A101 HydrophobicContact CB-CB 3.93Å; I92-A101 HydrophobicContact CD1-CB 4.38Å; I92-A101 HydrophobicContact CG1-CB 3.67Å; M98-A101 HydrophobicContact CB-CB 4.42Å; M98-A101 HydrophobicContact CE-CB 3.95Å; M98-A101 PolarHBondContact O-N 3.49Å; M98-A101 VanDerWaalsContact O-N 3.15Å; A99-A101 PolarHBondContact O-N 3.27Å; A101-N104 PolarHBondContact O-N 3.11Å; A101-L105 WeakPolarHBondContact O-CB 3.45Å; A101-L105 PolarHBondContact O-N 3.42Å
102	Y	96.6	Very high	93.7	Very high	30 Å²	30	47.4 Å²	47.4	12%	0.118	23%	0.228	C	C	.	.	H	α-helix	trans	-65.4	-39.4	173	-68.4	-80.9	0	0	0	111.7	I92 P96 M98 A99 L105 G106 N121 H124 I128	I92-Y102 HydrophobicContact CD1-CD1 3.71Å; I92-Y102 HydrophobicContact CD1-CE1 3.8Å; I92-Y102 HydrophobicContact CD1-CG 4.12Å; I92-Y102 HydrophobicContact CG1-CD1 4.27Å; I92-Y102 HydrophobicContact CG1-CD2 4.28Å; I92-Y102 HydrophobicContact CG1-CE1 4.1Å; I92-Y102 HydrophobicContact CG1-CE2 4.11Å; I92-Y102 HydrophobicContact CG1-CG 4.37Å; I92-Y102 HydrophobicContact CG2-CE1 3.94Å; I92-Y102 HydrophobicContact CG2-CE2 4.3Å; I92-Y102 WeakPolarHBondContact CG2-OH 3.19Å; P96-Y102 VanDerWaalsContact O-CE2 3.3Å; P96-Y102 WeakPolarHBondContact O-CE2 3.48Å; P96-Y102 PolarHBondContact O-OH 3Å; M98-Y102 WeakPolarHBondContact O-CD2 3.5Å; A99-Y102 PolarHBondContact O-N 3.45Å; Y102-L105 PolarHBondContact O-N 2.94Å; Y102-G106 PolarHBondContact O-N 3.16Å; Y102-N121 WeakPolarHBondContact O-CB 3.48Å; Y102-H124 HydrophobicContact CD1-CB 4.41Å; Y102-H124 AromaticContact CD1-CD2 3.51Å; Y102-H124 AromaticContact CD2-CD2 3.78Å; Y102-H124 AromaticContact CE1-CD2 3.29Å; Y102-H124 WeakPolarHBondContact CE1-CD2 3.37Å; Y102-H124 AromaticContact CE1-NE2 3.77Å; Y102-H124 AromaticContact CE2-CD2 3.58Å; Y102-H124 AromaticContact CE2-NE2 3.92Å; Y102-H124 AromaticContact CG-CD2 3.73Å; Y102-H124 AromaticContact CZ-CD2 3.3Å; Y102-H124 AromaticContact CZ-NE2 3.46Å; Y102-H124 PolarHBondContact OH-NE2 3.14Å; Y102-I128 HydrophobicContact CD2-CD1 3.6Å; Y102-I128 HydrophobicContact CE2-CD1 3.38Å
103	S	95.4	Very high	93.5	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-65.8	-42.6	176.4	-175.3	0	0	0	0	112.3	A99 E100 L105 G106 N107 Y122	A99-S103 PolarHBondContact O-N 3.4Å; E100-S103 PolarHBondContact O-N 3.44Å; S103-L105 VanDerWaalsContact C-N 3.33Å; S103-L105 PolarHBondContact O-N 2.86Å; S103-G106 CarbonylContact O-C 3.14Å; S103-G106 WeakPolarHBondContact O-CA 3.41Å; S103-G106 PolarHBondContact O-N 3.16Å; S103-G106 VanDerWaalsContact O-N 3.12Å; S103-N107 PolarHBondContact O-N 2.86Å; S103-Y122 WeakPolarHBondContact O-CE1 3.22Å
104	N	94.3	Very high	93.6	Very high	27 Å²	27	44 Å²	44	14%	0.144	23%	0.229	C	C	.	.	H	α-helix	trans	-60	-43.1	172.4	-82.1	-4.3	0	0	0	112	S73 S88 E100 A101 G106 N107 V108	S73-N104 PolarHBondContact OG-ND2 2.85Å; S73-N104 VanDerWaalsContact OG-ND2 3.17Å; S88-N104 WeakPolarHBondContact OG-CB 3.25Å; E100-N104 WeakPolarHBondContact O-CB 3.4Å; E100-N104 PolarHBondContact O-N 3.16Å; A101-N104 PolarHBondContact O-N 3.11Å; N104-G106 VanDerWaalsContact C-N 3.3Å; N104-G106 PolarHBondContact O-N 2.73Å; N104-N107 WeakPolarHBondContact O-CB 3.14Å; N104-N107 PolarHBondContact O-N 2.81Å; N104-V108 PolarHBondContact O-N 3.16Å; N104-V108 VanDerWaalsContact O-N 3.1Å
105	L	95.5	Very high	93.8	Very high	11 Å²	11	42 Å²	42	6%	0.058	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-38.7	174.5	-171.8	58.9	0	0	0	111.7	A85 Q89 I92 A101 Y102 S103 V108 F109 N121	A85-L105 HydrophobicContact CB-CD1 3.9Å; Q89-L105 HydrophobicContact CG-CD2 4.34Å; I92-L105 HydrophobicContact CD1-CD2 3.87Å; A101-L105 WeakPolarHBondContact O-CB 3.45Å; A101-L105 PolarHBondContact O-N 3.42Å; Y102-L105 PolarHBondContact O-N 2.94Å; S103-L105 VanDerWaalsContact C-N 3.33Å; S103-L105 PolarHBondContact O-N 2.86Å; L105-V108 PolarHBondContact O-N 3.21Å; L105-F109 HydrophobicContact CD1-CD2 4.42Å; L105-F109 HydrophobicContact CD1-CE2 3.91Å; L105-F109 HydrophobicContact CD1-CZ 4.33Å; L105-F109 HydrophobicContact CD2-CE2 4.05Å; L105-F109 HydrophobicContact CG-CD2 4.02Å; L105-F109 HydrophobicContact CG-CE2 3.59Å; L105-F109 HydrophobicContact CG-CZ 4.44Å; L105-F109 VanDerWaalsContact O-CD2 3.23Å; L105-F109 WeakPolarHBondContact O-CD2 3.3Å; L105-F109 PolarHBondContact O-N 3.3Å; L105-N121 WeakPolarHBondContact CD2-OD1 3.33Å
106	G	95.9	Very high	93.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.7	-43.7	172.2	0	0	0	0	0	112.7	Y102 S103 N104 V108 F109 K110 A118 Y122	Y102-G106 PolarHBondContact O-N 3.16Å; S103-G106 CarbonylContact O-C 3.14Å; S103-G106 WeakPolarHBondContact O-CA 3.41Å; S103-G106 PolarHBondContact O-N 3.16Å; S103-G106 VanDerWaalsContact O-N 3.12Å; N104-G106 VanDerWaalsContact C-N 3.3Å; N104-G106 PolarHBondContact O-N 2.73Å; G106-V108 VanDerWaalsContact C-N 3.31Å; G106-V108 PolarHBondContact O-N 3.21Å; G106-F109 PolarHBondContact O-N 3.14Å; G106-K110 WeakPolarHBondContact O-CB 3.41Å; G106-K110 PolarHBondContact O-N 2.8Å; G106-A118 WeakPolarHBondContact O-CB 3.32Å; G106-Y122 VanDerWaalsContact C-CZ 3.42Å; G106-Y122 VanDerWaalsContact C-OH 3.26Å; G106-Y122 PolarHBondContact O-OH 2.83Å
107	N	95.4	Very high	94.1	Very high	24 Å²	24	47 Å²	47	13%	0.128	23%	0.233	C	C	.	.	H	α-helix	trans	-59.4	-42.6	175.4	-67.3	-22.1	0	0	0	111.4	F76 S103 N104 K110 E111 Y122 N138	F76-N107 HydrophobicContact CD2-CB 4.25Å; F76-N107 HydrophobicContact CE1-CB 4.47Å; F76-N107 HydrophobicContact CE2-CB 3.65Å; F76-N107 HydrophobicContact CZ-CB 3.78Å; S103-N107 PolarHBondContact O-N 2.86Å; N104-N107 WeakPolarHBondContact O-CB 3.14Å; N104-N107 PolarHBondContact O-N 2.81Å; N107-K110 PolarHBondContact O-N 3.34Å; N107-E111 PolarHBondContact O-N 2.91Å; N107-Y122 WeakPolarHBondContact CA-OH 3.29Å; N107-Y122 PolarHBondContact N-OH 2.81Å; N107-Y122 VanDerWaalsContact N-OH 3.13Å; N107-Y122 WeakPolarHBondContact OD1-CE1 3.34Å; N107-Y122 PolarHBondContact OD1-OH 3.47Å; N107-N138 PolarHBondContact OD1-ND2 3.22Å
108	V	95.3	Very high	94.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.4	-46.2	175.8	175.6	0	0	0	0	111.4	F76 M81 S84 A85 N104 L105 G106 K110 E111 R112	F76-V108 HydrophobicContact CD2-CG2 3.93Å; F76-V108 HydrophobicContact CE2-CG2 4.49Å; M81-V108 HydrophobicContact CB-CG1 4.01Å; M81-V108 HydrophobicContact SD-CG1 4.48Å; S84-V108 VanDerWaalsContact OG-CG2 3.32Å; S84-V108 WeakPolarHBondContact OG-CG2 3.17Å; A85-V108 HydrophobicContact CB-CG1 4.07Å; N104-V108 PolarHBondContact O-N 3.16Å; N104-V108 VanDerWaalsContact O-N 3.1Å; L105-V108 PolarHBondContact O-N 3.21Å; G106-V108 VanDerWaalsContact C-N 3.31Å; G106-V108 PolarHBondContact O-N 3.21Å; V108-K110 VanDerWaalsContact C-N 3.32Å; V108-K110 PolarHBondContact O-N 3.48Å; V108-E111 PolarHBondContact O-N 3.23Å; V108-R112 WeakPolarHBondContact O-CG 3.39Å; V108-R112 PolarHBondContact O-N 3.41Å; V108-R112 VanDerWaalsContact O-N 3.12Å
109	F	95.9	Very high	94.6	Very high	31 Å²	31	40.5 Å²	40.5	14%	0.136	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-40	177.6	-76.2	-52.9	0	0	0	112.1	L105 G106 R112 G113 Q114 E117 A118 N121	L105-F109 HydrophobicContact CD1-CD2 4.42Å; L105-F109 HydrophobicContact CD1-CE2 3.91Å; L105-F109 HydrophobicContact CD1-CZ 4.33Å; L105-F109 HydrophobicContact CD2-CE2 4.05Å; L105-F109 HydrophobicContact CG-CD2 4.02Å; L105-F109 HydrophobicContact CG-CE2 3.59Å; L105-F109 HydrophobicContact CG-CZ 4.44Å; L105-F109 VanDerWaalsContact O-CD2 3.23Å; L105-F109 WeakPolarHBondContact O-CD2 3.3Å; L105-F109 PolarHBondContact O-N 3.3Å; G106-F109 PolarHBondContact O-N 3.14Å; F109-R112 PolarHBondContact O-N 2.97Å; F109-G113 PolarHBondContact O-N 3.4Å; F109-Q114 HydrophobicContact CB-CB 4.15Å; F109-Q114 HydrophobicContact CD1-CB 3.98Å; F109-Q114 HydrophobicContact CD1-CG 4.47Å; F109-Q114 HydrophobicContact CG-CB 4.48Å; F109-Q114 WeakPolarHBondContact O-CA 3.4Å; F109-Q114 WeakPolarHBondContact O-CB 3.38Å; F109-Q114 PolarHBondContact O-N 3.41Å; F109-E117 HydrophobicContact CB-CB 4.23Å; F109-E117 HydrophobicContact CD1-CB 3.94Å; F109-E117 HydrophobicContact CD2-CB 3.86Å; F109-E117 HydrophobicContact CE1-CB 4.24Å; F109-E117 HydrophobicContact CE2-CB 4.14Å; F109-E117 HydrophobicContact CG-CB 3.76Å; F109-E117 HydrophobicContact CZ-CB 4.33Å; F109-A118 HydrophobicContact CB-CB 3.82Å; F109-N121 WeakPolarHBondContact CD2-ND2 3.32Å; F109-N121 WeakPolarHBondContact CE2-ND2 3.47Å
110	K	93.8	Very high	94.8	Very high	59 Å²	59	44.2 Å²	44.2	26%	0.257	22%	0.219	S	C	.	.	H	α-helix	trans	-60.8	-48.6	176.7	-174.9	-172.6	171.3	-167.1	0	111.5	G106 N107 V108 R112 G113 L115 A118 A141 A142	G106-K110 WeakPolarHBondContact O-CB 3.41Å; G106-K110 PolarHBondContact O-N 2.8Å; N107-K110 PolarHBondContact O-N 3.34Å; V108-K110 VanDerWaalsContact C-N 3.32Å; V108-K110 PolarHBondContact O-N 3.48Å; K110-R112 PolarHBondContact O-N 2.58Å; K110-G113 PolarHBondContact O-N 2.94Å; K110-L115 HydrophobicContact CG-CD2 4.41Å; K110-A118 HydrophobicContact CB-CB 3.98Å; K110-A141 VanDerWaalsContact NZ-CB 3.34Å; K110-A142 HydrophobicContact CD-CB 4.37Å
111	E	91.5	Very high	94.9	Very high	92 Å²	92	42.4 Å²	42.4	43%	0.43	21%	0.211	S	C	.	.	H	α-helix	trans	-65.2	-24	177.8	-71.8	-64.4	131.2	0	0	113.2	F76 R79 M81 N107 V108 G113	F76-E111 HydrophobicContact CE2-CB 4.43Å; F76-E111 HydrophobicContact CE2-CG 3.65Å; F76-E111 HydrophobicContact CZ-CG 3.62Å; R79-E111 IonicContact CZ-OE2 2.89Å; R79-E111 IonicContact NH1-OE2 3.78Å; R79-E111 PolarHBondContact NH1-OE2 3.31Å; M81-E111 HydrophobicContact CE-CB 3.72Å; M81-E111 HydrophobicContact CE-CG 3.95Å; M81-E111 HydrophobicContact SD-CB 4.18Å; N107-E111 PolarHBondContact O-N 2.91Å; V108-E111 PolarHBondContact O-N 3.23Å; E111-G113 VanDerWaalsContact C-N 3.29Å
112	R	93.3	Very high	95.1	Very high	96 Å²	96	42.4 Å²	42.4	36%	0.362	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-2.6	172.4	-70.3	175.6	176.9	-171.3	-2.7	113.8	M81 E82 V108 F109 K110 Q114	M81-R112 PolarHBondContact O-NH2 2.78Å; E82-R112 VanDerWaalsContact CA-NH2 3.27Å; E82-R112 VanDerWaalsContact CG-NH2 3.34Å; V108-R112 WeakPolarHBondContact O-CG 3.39Å; V108-R112 PolarHBondContact O-N 3.41Å; V108-R112 VanDerWaalsContact O-N 3.12Å; F109-R112 PolarHBondContact O-N 2.97Å; K110-R112 PolarHBondContact O-N 2.58Å; R112-Q114 HydrophobicContact CB-CG 4.14Å; R112-Q114 PolarHBondContact O-N 3.39Å
113	G	90.8	Very high	95.1	Very high	56 Å²	56	45.7 Å²	45.7	58%	0.577	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.2	8.9	-173.7	0	0	0	0	0	114.4	F109 K110 E111 L115	F109-G113 PolarHBondContact O-N 3.4Å; K110-G113 PolarHBondContact O-N 2.94Å; E111-G113 VanDerWaalsContact C-N 3.29Å; G113-L115 VanDerWaalsContact C-N 3.27Å; G113-L115 PolarHBondContact O-N 3.17Å
114	Q	94.7	Very high	95.1	Very high	64 Å²	64	48.2 Å²	48.2	30%	0.299	24%	0.235	S	C	.	.			trans	-85	67.7	177.7	-61.8	-177	-90.8	0	0	110	F109 R112 K116 E117 A118	F109-Q114 HydrophobicContact CB-CB 4.15Å; F109-Q114 HydrophobicContact CD1-CB 3.98Å; F109-Q114 HydrophobicContact CD1-CG 4.47Å; F109-Q114 HydrophobicContact CG-CB 4.48Å; F109-Q114 WeakPolarHBondContact O-CA 3.4Å; F109-Q114 WeakPolarHBondContact O-CB 3.38Å; F109-Q114 PolarHBondContact O-N 3.41Å; R112-Q114 HydrophobicContact CB-CG 4.14Å; R112-Q114 PolarHBondContact O-N 3.39Å; Q114-K116 VanDerWaalsContact C-N 3.34Å; Q114-K116 PolarHBondContact O-N 2.87Å; Q114-E117 HydrophobicContact CB-CB 4.45Å; Q114-E117 PolarHBondContact NE2-OE1 2.98Å; Q114-E117 PolarHBondContact O-N 3.45Å; Q114-A118 WeakPolarHBondContact O-CB 3.49Å; Q114-A118 PolarHBondContact O-N 2.79Å
115	L	94.6	Very high	95.2	Very high	43 Å²	43	47 Å²	47	23%	0.225	23%	0.228	C	C	.	.	H	α-helix	trans	-64.6	-34.4	-168.2	-64.7	176	0	0	0	113.6	K110 G113 A118 I119 A145 A146	K110-L115 HydrophobicContact CG-CD2 4.41Å; G113-L115 VanDerWaalsContact C-N 3.27Å; G113-L115 PolarHBondContact O-N 3.17Å; L115-A118 PolarHBondContact O-N 2.9Å; L115-I119 WeakPolarHBondContact O-CB 3.42Å; L115-I119 WeakPolarHBondContact O-CD1 3.41Å; L115-I119 VanDerWaalsContact O-CG1 3.23Å; L115-I119 WeakPolarHBondContact O-CG1 3.49Å; L115-I119 PolarHBondContact O-N 3Å; L115-A145 HydrophobicContact CD1-CB 4.07Å; L115-A145 WeakPolarHBondContact CD1-O 3.36Å; L115-A145 HydrophobicContact CD2-CB 3.9Å; L115-A146 HydrophobicContact CB-CB 4.38Å; L115-A146 HydrophobicContact CD1-CB 4.1Å
116	K	94.8	Very high	95.2	Very high	158 Å²	158	47.2 Å²	47.2	69%	0.687	23%	0.229	S	C	*	.	H	α-helix	trans	-65.6	-48.9	-179.6	-174	177.9	179.3	-179.1	0	110.8	Q114 A118 I119 D120	Q114-K116 VanDerWaalsContact C-N 3.34Å; Q114-K116 PolarHBondContact O-N 2.87Å; K116-A118 VanDerWaalsContact C-N 3.31Å; K116-A118 PolarHBondContact O-N 3.14Å; K116-I119 PolarHBondContact O-N 3.49Å; K116-D120 PolarHBondContact O-N 3.12Å
117	E	95.2	Very high	95.2	Very high	77 Å²	77	55 Å²	55	36%	0.36	26%	0.259	S	S	.	.	H	α-helix	trans	-63.9	-37.9	176.6	-62	92.4	141.8	0	0	111.3	F109 Q114 D120 N121	F109-E117 HydrophobicContact CB-CB 4.23Å; F109-E117 HydrophobicContact CD1-CB 3.94Å; F109-E117 HydrophobicContact CD2-CB 3.86Å; F109-E117 HydrophobicContact CE1-CB 4.24Å; F109-E117 HydrophobicContact CE2-CB 4.14Å; F109-E117 HydrophobicContact CG-CB 3.76Å; F109-E117 HydrophobicContact CZ-CB 4.33Å; Q114-E117 HydrophobicContact CB-CB 4.45Å; Q114-E117 PolarHBondContact NE2-OE1 2.98Å; Q114-E117 PolarHBondContact O-N 3.45Å; E117-D120 PolarHBondContact O-N 2.74Å; E117-N121 WeakPolarHBondContact O-CB 3.31Å; E117-N121 PolarHBondContact O-N 3.42Å; E117-N121 PolarHBondContact O-ND2 3.31Å
118	A	96.8	Very high	95.2	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.8	-52.1	173.9	0	0	0	0	0	111.5	G106 F109 K110 Q114 L115 K116 D120 N121 Y122	G106-A118 WeakPolarHBondContact O-CB 3.32Å; F109-A118 HydrophobicContact CB-CB 3.82Å; K110-A118 HydrophobicContact CB-CB 3.98Å; Q114-A118 WeakPolarHBondContact O-CB 3.49Å; Q114-A118 PolarHBondContact O-N 2.79Å; L115-A118 PolarHBondContact O-N 2.9Å; K116-A118 VanDerWaalsContact C-N 3.31Å; K116-A118 PolarHBondContact O-N 3.14Å; A118-D120 VanDerWaalsContact C-N 3.35Å; A118-D120 PolarHBondContact O-N 3.03Å; A118-N121 PolarHBondContact O-N 3.49Å; A118-Y122 HydrophobicContact CB-CD2 4.5Å; A118-Y122 HydrophobicContact CB-CE2 4Å; A118-Y122 WeakPolarHBondContact O-CD2 3.44Å; A118-Y122 PolarHBondContact O-N 2.93Å
119	I	97.2	Very high	95.2	Very high	14 Å²	14	59.6 Å²	59.6	7%	0.072	28%	0.279	C	S	.	.	H	α-helix	trans	-59.3	-44.3	178.7	-71	162.4	0	0	0	111.2	L115 K116 N121 Y122 R123 L139 A142 L143 A146	L115-I119 WeakPolarHBondContact O-CB 3.42Å; L115-I119 WeakPolarHBondContact O-CD1 3.41Å; L115-I119 VanDerWaalsContact O-CG1 3.23Å; L115-I119 WeakPolarHBondContact O-CG1 3.49Å; L115-I119 PolarHBondContact O-N 3Å; K116-I119 PolarHBondContact O-N 3.49Å; I119-N121 VanDerWaalsContact C-N 3.33Å; I119-N121 PolarHBondContact O-N 3.3Å; I119-Y122 PolarHBondContact O-N 2.96Å; I119-R123 HydrophobicContact CG2-CG 4.37Å; I119-R123 WeakPolarHBondContact O-CB 3.43Å; I119-R123 VanDerWaalsContact O-CG 3.32Å; I119-R123 WeakPolarHBondContact O-CG 3.34Å; I119-R123 PolarHBondContact O-N 3.17Å; I119-L139 HydrophobicContact CB-CD1 4.41Å; I119-L139 HydrophobicContact CG1-CD1 4.36Å; I119-L139 HydrophobicContact CG2-CD1 3.95Å; I119-A142 HydrophobicContact CG1-CB 4.01Å; I119-L143 HydrophobicContact CD1-CD2 3.84Å; I119-L143 HydrophobicContact CD1-CG 4.43Å; I119-L143 HydrophobicContact CG1-CD2 4.19Å; I119-L143 HydrophobicContact CG1-CG 4.44Å; I119-L143 HydrophobicContact CG2-CD2 4.28Å; I119-A146 HydrophobicContact CD1-CB 3.89Å
120	D	96.3	Very high	95	Very high	80 Å²	80	61.3 Å²	61.3	43%	0.428	29%	0.294	S	S	.	.	H	α-helix	trans	-63.1	-40.1	179.4	-73.9	-21.9	0	0	0	111.7	K116 E117 A118 H124	K116-D120 PolarHBondContact O-N 3.12Å; E117-D120 PolarHBondContact O-N 2.74Å; A118-D120 VanDerWaalsContact C-N 3.35Å; A118-D120 PolarHBondContact O-N 3.03Å; D120-H124 WeakPolarHBondContact O-CB 2.97Å; D120-H124 PolarHBondContact O-N 3.21Å
121	N	96.6	Very high	95	Very high	26 Å²	26	63 Å²	63	14%	0.139	31%	0.305	C	S	.	.	H	α-helix	trans	-68	-43.6	175.9	-83.8	-81.5	0	0	0	112.5	Y102 L105 F109 E117 A118 I119 H124 A125	Y102-N121 WeakPolarHBondContact O-CB 3.48Å; L105-N121 WeakPolarHBondContact CD2-OD1 3.33Å; F109-N121 WeakPolarHBondContact CD2-ND2 3.32Å; F109-N121 WeakPolarHBondContact CE2-ND2 3.47Å; E117-N121 WeakPolarHBondContact O-CB 3.31Å; E117-N121 PolarHBondContact O-N 3.42Å; E117-N121 PolarHBondContact O-ND2 3.31Å; A118-N121 PolarHBondContact O-N 3.49Å; I119-N121 VanDerWaalsContact C-N 3.33Å; I119-N121 PolarHBondContact O-N 3.3Å; N121-H124 WeakPolarHBondContact O-CB 3.48Å; N121-H124 PolarHBondContact O-N 2.98Å; N121-A125 PolarHBondContact O-N 2.93Å
122	Y	97.5	Very high	95.1	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.7	-43.4	174.8	-62.3	-51.5	0	0	0	112	S103 G106 N107 A118 I119 H124 A125 L126 N138 L139 A142	S103-Y122 WeakPolarHBondContact O-CE1 3.22Å; G106-Y122 VanDerWaalsContact C-CZ 3.42Å; G106-Y122 VanDerWaalsContact C-OH 3.26Å; G106-Y122 PolarHBondContact O-OH 2.83Å; N107-Y122 WeakPolarHBondContact CA-OH 3.29Å; N107-Y122 PolarHBondContact N-OH 2.81Å; N107-Y122 VanDerWaalsContact N-OH 3.13Å; N107-Y122 WeakPolarHBondContact OD1-CE1 3.34Å; N107-Y122 PolarHBondContact OD1-OH 3.47Å; A118-Y122 HydrophobicContact CB-CD2 4.5Å; A118-Y122 HydrophobicContact CB-CE2 4Å; A118-Y122 WeakPolarHBondContact O-CD2 3.44Å; A118-Y122 PolarHBondContact O-N 2.93Å; I119-Y122 PolarHBondContact O-N 2.96Å; Y122-H124 PolarHBondContact O-N 3.13Å; Y122-A125 WeakPolarHBondContact O-CB 3.46Å; Y122-A125 PolarHBondContact O-N 2.93Å; Y122-L126 VanDerWaalsContact O-CG 3.3Å; Y122-L126 WeakPolarHBondContact O-CG 3.16Å; Y122-L126 PolarHBondContact O-N 3.43Å; Y122-N138 HydrophobicContact CD1-CB 3.98Å; Y122-N138 HydrophobicContact CE1-CB 3.49Å; Y122-N138 VanDerWaalsContact CE1-CB 3.49Å; Y122-N138 HydrophobicContact CE2-CB 4.23Å; Y122-L139 HydrophobicContact CD2-CB 4.5Å; Y122-L139 HydrophobicContact CG-CB 4.44Å; Y122-A142 HydrophobicContact CD2-CB 4.23Å; Y122-A142 HydrophobicContact CE2-CB 3.87Å
123	R	96.9	Very high	95	Very high	99 Å²	99	57.1 Å²	57.1	37%	0.374	28%	0.283	S	S	.	.	H	α-helix	trans	-60.9	-35.6	174	-75.4	176.3	173.8	158.9	-0.9	111.6	I119 R127 L139	I119-R123 HydrophobicContact CG2-CG 4.37Å; I119-R123 WeakPolarHBondContact O-CB 3.43Å; I119-R123 VanDerWaalsContact O-CG 3.32Å; I119-R123 WeakPolarHBondContact O-CG 3.34Å; I119-R123 PolarHBondContact O-N 3.17Å; R123-R127 WeakPolarHBondContact O-CG 3.48Å; R123-R127 PolarHBondContact O-N 3.35Å; R123-R127 PolarHBondContact O-NH1 2.95Å; R123-L139 HydrophobicContact CG-CD1 4.21Å; R123-L139 HydrophobicContact CG-CD2 4.31Å
124	H	95.6	Very high	95	Very high	56 Å²	56	59 Å²	59	26%	0.259	28%	0.28	S	S	.	.	H	α-helix	trans	-67.5	-45.7	174.8	-161.9	78.3	0	0	0	111.7	Y102 D120 N121 Y122 L126 R127 I128	Y102-H124 HydrophobicContact CD1-CB 4.41Å; Y102-H124 AromaticContact CD1-CD2 3.51Å; Y102-H124 AromaticContact CD2-CD2 3.78Å; Y102-H124 AromaticContact CE1-CD2 3.29Å; Y102-H124 WeakPolarHBondContact CE1-CD2 3.37Å; Y102-H124 AromaticContact CE1-NE2 3.77Å; Y102-H124 AromaticContact CE2-CD2 3.58Å; Y102-H124 AromaticContact CE2-NE2 3.92Å; Y102-H124 AromaticContact CG-CD2 3.73Å; Y102-H124 AromaticContact CZ-CD2 3.3Å; Y102-H124 AromaticContact CZ-NE2 3.46Å; Y102-H124 PolarHBondContact OH-NE2 3.14Å; D120-H124 WeakPolarHBondContact O-CB 2.97Å; D120-H124 PolarHBondContact O-N 3.21Å; N121-H124 WeakPolarHBondContact O-CB 3.48Å; N121-H124 PolarHBondContact O-N 2.98Å; Y122-H124 PolarHBondContact O-N 3.13Å; H124-L126 VanDerWaalsContact C-N 3.28Å; H124-L126 PolarHBondContact O-N 3.01Å; H124-R127 PolarHBondContact ND1-NH2 3.28Å; H124-R127 PolarHBondContact O-N 3.23Å; H124-R127 VanDerWaalsContact O-N 3.13Å; H124-I128 WeakPolarHBondContact O-CG1 3.44Å; H124-I128 PolarHBondContact O-N 3.18Å
125	A	96	Very high	95	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-55.1	-44.2	174	0	0	0	0	0	111.7	A99 N121 Y122 I128 K129 F132	A99-A125 HydrophobicContact CB-CB 4.28Å; A99-A125 WeakPolarHBondContact CB-O 3.49Å; A99-A125 VanDerWaalsContact O-CB 3.31Å; A99-A125 WeakPolarHBondContact O-CB 3.19Å; N121-A125 PolarHBondContact O-N 2.93Å; Y122-A125 WeakPolarHBondContact O-CB 3.46Å; Y122-A125 PolarHBondContact O-N 2.93Å; A125-I128 PolarHBondContact O-N 3.26Å; A125-K129 PolarHBondContact O-N 2.89Å; A125-F132 HydrophobicContact CB-CD1 4.37Å; A125-F132 HydrophobicContact CB-CE1 4.48Å
126	L	95.9	Very high	95.1	Very high	16 Å²	16	55.5 Å²	55.5	8%	0.084	26%	0.261	C	S	.	.	H	α-helix	trans	-70.5	-27.9	178.9	-67.8	171.2	0	0	0	113.7	Y122 H124 I128 K129 P130 F132 Y136 L139	Y122-L126 VanDerWaalsContact O-CG 3.3Å; Y122-L126 WeakPolarHBondContact O-CG 3.16Å; Y122-L126 PolarHBondContact O-N 3.43Å; H124-L126 VanDerWaalsContact C-N 3.28Å; H124-L126 PolarHBondContact O-N 3.01Å; L126-I128 VanDerWaalsContact C-N 3.32Å; L126-K129 CarbonylContact O-C 3.59Å; L126-P130 VanDerWaalsContact O-CA 3.28Å; L126-P130 WeakPolarHBondContact O-CA 3.34Å; L126-F132 HydrophobicContact CD2-CB 4.17Å; L126-F132 WeakPolarHBondContact CD2-O 3.17Å; L126-Y136 HydrophobicContact CD1-CD1 3.69Å; L126-Y136 HydrophobicContact CD1-CE1 3.75Å; L126-Y136 HydrophobicContact CD1-CG 4.21Å; L126-Y136 HydrophobicContact CD2-CD1 4.05Å; L126-Y136 HydrophobicContact CD2-CD2 3.66Å; L126-Y136 HydrophobicContact CD2-CE1 3.95Å; L126-Y136 HydrophobicContact CD2-CE2 3.56Å; L126-Y136 HydrophobicContact CD2-CG 3.9Å; L126-Y136 HydrophobicContact CG-CE1 4.39Å; L126-L139 HydrophobicContact CD1-CB 4.39Å; L126-L139 HydrophobicContact CD1-CD2 3.54Å
127	R	95.8	Very high	95.2	Very high	165 Å²	165	49.7 Å²	49.7	62%	0.623	24%	0.237	S	C	*	.	H	α-helix	trans	-67.7	-34.4	171	-77	-168.1	-61.5	-88.2	15	112.1	R123 H124	R123-R127 WeakPolarHBondContact O-CG 3.48Å; R123-R127 PolarHBondContact O-N 3.35Å; R123-R127 PolarHBondContact O-NH1 2.95Å; H124-R127 PolarHBondContact ND1-NH2 3.28Å; H124-R127 PolarHBondContact O-N 3.23Å; H124-R127 VanDerWaalsContact O-N 3.13Å
128	I	94.8	Very high	95.2	Very high	47 Å²	47	47.8 Å²	47.8	24%	0.241	23%	0.229	C	C	.	.	H	α-helix	trans	-76.3	-44.4	178.2	-65.7	169.1	0	0	0	110.4	L97 A99 Y102 H124 A125 L126	L97-I128 HydrophobicContact CB-CG2 4.49Å; L97-I128 WeakPolarHBondContact O-CG2 3.46Å; A99-I128 HydrophobicContact CB-CB 4.16Å; A99-I128 HydrophobicContact CB-CG2 3.98Å; Y102-I128 HydrophobicContact CD2-CD1 3.6Å; Y102-I128 HydrophobicContact CE2-CD1 3.38Å; H124-I128 WeakPolarHBondContact O-CG1 3.44Å; H124-I128 PolarHBondContact O-N 3.18Å; A125-I128 PolarHBondContact O-N 3.26Å; L126-I128 VanDerWaalsContact C-N 3.32Å
129	K	94.5	Very high	95.2	Very high	73 Å²	73	48.4 Å²	48.4	32%	0.317	23%	0.233	S	C	.	.			trans	-130.2	87.4	-177	-170.6	175.2	175.3	164.7	0	110.4	A99 E100 A125 L126 D131 F132	A99-K129 HydrophobicContact CB-CB 3.58Å; A99-K129 HydrophobicContact CB-CD 4.24Å; E100-K129 IonicContact OE1-NZ 3.47Å; E100-K129 PolarHBondContact OE1-NZ 2.77Å; A125-K129 PolarHBondContact O-N 2.89Å; L126-K129 CarbonylContact O-C 3.59Å; K129-D131 WeakPolarHBondContact CG-OD1 3.49Å; K129-D131 PolarHBondContact O-N 2.88Å; K129-F132 HydrophobicContact CB-CB 4.08Å; K129-F132 HydrophobicContact CD-CB 4.02Å; K129-F132 HydrophobicContact CD-CG 4.28Å; K129-F132 HydrophobicContact CG-CB 3.87Å; K129-F132 WeakPolarHBondContact O-CB 3.3Å; K129-F132 PolarHBondContact O-N 2.72Å; K129-F132 VanDerWaalsContact O-N 3.15Å
130	P	93.2	Very high	95.1	Very high	67 Å²	67	47.8 Å²	47.8	44%	0.435	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.3	-174.9	-26.7	36.3	0	0	0	115.6	L126 F132 Y136 Y162	L126-P130 VanDerWaalsContact O-CA 3.28Å; L126-P130 WeakPolarHBondContact O-CA 3.34Å; P130-F132 VanDerWaalsContact C-N 3.34Å; P130-Y136 WeakPolarHBondContact O-CE2 3.39Å; P130-Y136 PolarHBondContact O-OH 3.33Å; P130-Y162 WeakPolarHBondContact O-CE2 3.46Å; P130-Y162 PolarHBondContact O-OH 3.19Å
131	D	92.2	Very high	95	Very high	93 Å²	93	45.2 Å²	45.2	50%	0.497	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	14.6	177.8	64.9	-23.2	0	0	0	113.2	K129 I133 Y162	K129-D131 WeakPolarHBondContact CG-OD1 3.49Å; K129-D131 PolarHBondContact O-N 2.88Å; D131-I133 PolarHBondContact O-N 2.86Å; D131-Y162 HydrophobicContact CB-CD1 4Å; D131-Y162 HydrophobicContact CB-CE1 3.6Å
132	F	94	Very high	94.9	Very high	22 Å²	22	44 Å²	44	10%	0.096	21%	0.212	C	C	.	.			trans	-78.8	88	-178.5	-171.6	-156.6	0	0	0	112.5	A99 E100 A125 L126 K129 P130 D134 G135 Y136	A99-F132 HydrophobicContact CB-CD1 4.33Å; E100-F132 HydrophobicContact CG-CZ 4.29Å; A125-F132 HydrophobicContact CB-CD1 4.37Å; A125-F132 HydrophobicContact CB-CE1 4.48Å; L126-F132 HydrophobicContact CD2-CB 4.17Å; L126-F132 WeakPolarHBondContact CD2-O 3.17Å; K129-F132 HydrophobicContact CB-CB 4.08Å; K129-F132 HydrophobicContact CD-CB 4.02Å; K129-F132 HydrophobicContact CD-CG 4.28Å; K129-F132 HydrophobicContact CG-CB 3.87Å; K129-F132 WeakPolarHBondContact O-CB 3.3Å; K129-F132 PolarHBondContact O-N 2.72Å; K129-F132 VanDerWaalsContact O-N 3.15Å; P130-F132 VanDerWaalsContact C-N 3.34Å; F132-D134 HydrophobicContact CD2-CB 4.39Å; F132-D134 HydrophobicContact CE2-CB 3.85Å; F132-D134 HydrophobicContact CZ-CB 4.29Å; F132-D134 PolarHBondContact O-N 3.32Å; F132-G135 WeakPolarHBondContact O-CA 3.49Å; F132-G135 PolarHBondContact O-N 3.49Å; F132-Y136 WeakPolarHBondContact O-CD2 3.3Å; F132-Y136 PolarHBondContact O-N 3.12Å
133	I	92.7	Very high	94.9	Very high	43 Å²	43	44.1 Å²	44.1	22%	0.221	21%	0.213	C	C	.	.	H	α-helix	trans	-50.7	-53	-177.7	-61.1	172.2	0	0	0	112.6	D131 G135 Y136 I137 N163 L166	D131-I133 PolarHBondContact O-N 2.86Å; I133-G135 PolarHBondContact O-N 2.83Å; I133-Y136 PolarHBondContact O-N 2.85Å; I133-I137 HydrophobicContact CG2-CD1 3.95Å; I133-I137 PolarHBondContact O-N 2.86Å; I133-I137 VanDerWaalsContact O-N 3.09Å; I133-N163 HydrophobicContact CD1-CB 3.71Å; I133-L166 HydrophobicContact CG2-CD1 3.6Å
134	D	90.6	Very high	94.7	Very high	96 Å²	96	41.9 Å²	41.9	51%	0.513	21%	0.211	S	C	.	.	H	α-helix	trans	-60.7	-31.8	-179.9	-65	-28.7	0	0	0	112	F132 I137 N138	F132-D134 HydrophobicContact CD2-CB 4.39Å; F132-D134 HydrophobicContact CE2-CB 3.85Å; F132-D134 HydrophobicContact CZ-CB 4.29Å; F132-D134 PolarHBondContact O-N 3.32Å; D134-I137 PolarHBondContact O-N 2.93Å; D134-N138 WeakPolarHBondContact O-CB 3.35Å; D134-N138 VanDerWaalsContact O-CG 3.26Å; D134-N138 PolarHBondContact O-N 3.12Å; D134-N138 PolarHBondContact O-ND2 3.3Å
135	G	93.8	Very high	94.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61	-42.8	173.7	0	0	0	0	0	112.4	F132 I133 L139	F132-G135 WeakPolarHBondContact O-CA 3.49Å; F132-G135 PolarHBondContact O-N 3.49Å; I133-G135 PolarHBondContact O-N 2.83Å; G135-L139 WeakPolarHBondContact O-CB 3.39Å; G135-L139 PolarHBondContact O-N 2.71Å
136	Y	97.1	Very high	94.4	Very high	33 Å²	33	44.6 Å²	44.6	13%	0.129	24%	0.243	C	C	.	.	H	α-helix	trans	-69.6	-40.6	176.1	-71.6	-72.9	0	0	0	112.6	L126 P130 F132 I133 L139 A140 T158 Y162	L126-Y136 HydrophobicContact CD1-CD1 3.69Å; L126-Y136 HydrophobicContact CD1-CE1 3.75Å; L126-Y136 HydrophobicContact CD1-CG 4.21Å; L126-Y136 HydrophobicContact CD2-CD1 4.05Å; L126-Y136 HydrophobicContact CD2-CD2 3.66Å; L126-Y136 HydrophobicContact CD2-CE1 3.95Å; L126-Y136 HydrophobicContact CD2-CE2 3.56Å; L126-Y136 HydrophobicContact CD2-CG 3.9Å; L126-Y136 HydrophobicContact CG-CE1 4.39Å; P130-Y136 WeakPolarHBondContact O-CE2 3.39Å; P130-Y136 PolarHBondContact O-OH 3.33Å; F132-Y136 WeakPolarHBondContact O-CD2 3.3Å; F132-Y136 PolarHBondContact O-N 3.12Å; I133-Y136 PolarHBondContact O-N 2.85Å; Y136-L139 PolarHBondContact O-N 3.43Å; Y136-A140 WeakPolarHBondContact O-CB 3.42Å; Y136-A140 PolarHBondContact O-N 3.18Å; Y136-T158 HydrophobicContact CD1-CG2 4Å; Y136-T158 HydrophobicContact CD2-CG2 4.24Å; Y136-T158 HydrophobicContact CE1-CG2 3.52Å; Y136-T158 HydrophobicContact CE2-CG2 3.77Å; Y136-T158 HydrophobicContact CG-CG2 4.35Å; Y136-T158 VanDerWaalsContact CZ-CG2 3.4Å; Y136-Y162 HydrophobicContact CD2-CD2 4.45Å; Y136-Y162 HydrophobicContact CE2-CD2 4.01Å; Y136-Y162 AromaticContact CE2-CE2 3.71Å; Y136-Y162 HydrophobicContact CE2-CE2 3.71Å
137	I	95.8	Very high	94.1	Very high	36 Å²	36	46.1 Å²	46.1	19%	0.185	26%	0.262	C	S	.	.	H	α-helix	trans	-62.5	-46.9	178.2	-63.2	168.8	0	0	0	110.2	I133 D134 A140 A141 A159 L166 V169	I133-I137 HydrophobicContact CG2-CD1 3.95Å; I133-I137 PolarHBondContact O-N 2.86Å; I133-I137 VanDerWaalsContact O-N 3.09Å; D134-I137 PolarHBondContact O-N 2.93Å; I137-A140 PolarHBondContact O-N 2.69Å; I137-A141 PolarHBondContact O-N 3.31Å; I137-A159 HydrophobicContact CG1-CB 4.1Å; I137-L166 HydrophobicContact CD1-CD1 4.27Å; I137-V169 HydrophobicContact CD1-CG2 3.71Å; I137-V169 HydrophobicContact CG1-CG1 4.35Å; I137-V169 HydrophobicContact CG1-CG2 3.99Å
138	N	95.1	Very high	94	Very high	38 Å²	38	41.2 Å²	41.2	20%	0.203	25%	0.248	C	C	.	.	H	α-helix	trans	-66.2	-40.3	178.4	-70.9	-27.2	0	0	0	111.9	N107 Y122 D134 A141 A142	N107-N138 PolarHBondContact OD1-ND2 3.22Å; Y122-N138 HydrophobicContact CD1-CB 3.98Å; Y122-N138 HydrophobicContact CE1-CB 3.49Å; Y122-N138 VanDerWaalsContact CE1-CB 3.49Å; Y122-N138 HydrophobicContact CE2-CB 4.23Å; D134-N138 WeakPolarHBondContact O-CB 3.35Å; D134-N138 VanDerWaalsContact O-CG 3.26Å; D134-N138 PolarHBondContact O-N 3.12Å; D134-N138 PolarHBondContact O-ND2 3.3Å; N138-A141 PolarHBondContact O-N 2.74Å; N138-A142 WeakPolarHBondContact O-CB 3.09Å; N138-A142 PolarHBondContact O-N 3.11Å
139	L	96.9	Very high	93.8	Very high	13 Å²	13	42 Å²	42	7%	0.068	25%	0.252	C	S	.	.	H	α-helix	trans	-59	-48.6	173	175.8	60.5	0	0	0	111.1	I119 Y122 R123 L126 G135 Y136 A141 A142 L143 A155	I119-L139 HydrophobicContact CB-CD1 4.41Å; I119-L139 HydrophobicContact CG1-CD1 4.36Å; I119-L139 HydrophobicContact CG2-CD1 3.95Å; Y122-L139 HydrophobicContact CD2-CB 4.5Å; Y122-L139 HydrophobicContact CG-CB 4.44Å; R123-L139 HydrophobicContact CG-CD1 4.21Å; R123-L139 HydrophobicContact CG-CD2 4.31Å; L126-L139 HydrophobicContact CD1-CB 4.39Å; L126-L139 HydrophobicContact CD1-CD2 3.54Å; G135-L139 WeakPolarHBondContact O-CB 3.39Å; G135-L139 PolarHBondContact O-N 2.71Å; Y136-L139 PolarHBondContact O-N 3.43Å; L139-A141 PolarHBondContact O-N 3.27Å; L139-A142 PolarHBondContact O-N 3.3Å; L139-L143 HydrophobicContact CD1-CD1 3.75Å; L139-L143 HydrophobicContact CD1-CD2 4.48Å; L139-L143 HydrophobicContact CD1-CG 3.91Å; L139-L143 HydrophobicContact CD2-CD1 4.33Å; L139-L143 HydrophobicContact CG-CD1 3.64Å; L139-L143 HydrophobicContact CG-CG 4.27Å; L139-L143 WeakPolarHBondContact O-CB 3.28Å; L139-L143 VanDerWaalsContact O-CG 3.24Å; L139-L143 WeakPolarHBondContact O-CG 3.44Å; L139-L143 PolarHBondContact O-N 3.01Å; L139-A155 HydrophobicContact CD2-CB 4.29Å; L139-A155 HydrophobicContact CG-CB 4.3Å
140	A	96.1	Very high	93.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.6	-48.4	179.2	0	0	0	0	0	111.2	Y136 I137 A142 L143 V144 A155 Y156	Y136-A140 WeakPolarHBondContact O-CB 3.42Å; Y136-A140 PolarHBondContact O-N 3.18Å; I137-A140 PolarHBondContact O-N 2.69Å; A140-A142 VanDerWaalsContact C-N 3.31Å; A140-A142 PolarHBondContact O-N 2.9Å; A140-L143 PolarHBondContact O-N 3.27Å; A140-L143 VanDerWaalsContact O-N 3.16Å; A140-V144 WeakPolarHBondContact O-CG2 3.4Å; A140-V144 PolarHBondContact O-N 3.06Å; A140-A155 HydrophobicContact CB-CB 3.77Å; A140-Y156 HydrophobicContact CB-CD1 3.52Å; A140-Y156 HydrophobicContact CB-CD2 3.71Å; A140-Y156 HydrophobicContact CB-CE1 3.52Å; A140-Y156 HydrophobicContact CB-CE2 3.67Å; A140-Y156 HydrophobicContact CB-CG 3.65Å
141	A	93.9	Very high	93.8	Very high	26 Å²	26	40.9 Å²	40.9	22%	0.215	25%	0.246	C	C	.	.	H	α-helix	trans	-62	-36	178.4	0	0	0	0	0	112.9	K110 I137 N138 L139 A145	K110-A141 VanDerWaalsContact NZ-CB 3.34Å; I137-A141 PolarHBondContact O-N 3.31Å; N138-A141 PolarHBondContact O-N 2.74Å; L139-A141 PolarHBondContact O-N 3.27Å; A141-A145 PolarHBondContact O-N 3.37Å
142	A	95	Very high	93.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-71.7	-37	174.8	0	0	0	0	0	112.6	K110 I119 Y122 N138 L139 A140 A145 A146	K110-A142 HydrophobicContact CD-CB 4.37Å; I119-A142 HydrophobicContact CG1-CB 4.01Å; Y122-A142 HydrophobicContact CD2-CB 4.23Å; Y122-A142 HydrophobicContact CE2-CB 3.87Å; N138-A142 WeakPolarHBondContact O-CB 3.09Å; N138-A142 PolarHBondContact O-N 3.11Å; L139-A142 PolarHBondContact O-N 3.3Å; A140-A142 VanDerWaalsContact C-N 3.31Å; A140-A142 PolarHBondContact O-N 2.9Å; A142-A145 PolarHBondContact O-N 3.48Å; A142-A146 WeakPolarHBondContact O-CB 3.44Å; A142-A146 PolarHBondContact O-N 2.75Å
143	L	96.6	Very high	94	Very high	3 Å²	3	36 Å²	36	2%	0.016	22%	0.222	C	C	.	.	H	α-helix	trans	-66.4	-40.7	175.8	-72.5	166.4	0	0	0	111.8	I119 L139 A140 A145 A146 G147 D148 A152 A155	I119-L143 HydrophobicContact CD1-CD2 3.84Å; I119-L143 HydrophobicContact CD1-CG 4.43Å; I119-L143 HydrophobicContact CG1-CD2 4.19Å; I119-L143 HydrophobicContact CG1-CG 4.44Å; I119-L143 HydrophobicContact CG2-CD2 4.28Å; L139-L143 HydrophobicContact CD1-CD1 3.75Å; L139-L143 HydrophobicContact CD1-CD2 4.48Å; L139-L143 HydrophobicContact CD1-CG 3.91Å; L139-L143 HydrophobicContact CD2-CD1 4.33Å; L139-L143 HydrophobicContact CG-CD1 3.64Å; L139-L143 HydrophobicContact CG-CG 4.27Å; L139-L143 WeakPolarHBondContact O-CB 3.28Å; L139-L143 VanDerWaalsContact O-CG 3.24Å; L139-L143 WeakPolarHBondContact O-CG 3.44Å; L139-L143 PolarHBondContact O-N 3.01Å; A140-L143 PolarHBondContact O-N 3.27Å; A140-L143 VanDerWaalsContact O-N 3.16Å; L143-A145 VanDerWaalsContact C-N 3.34Å; L143-A145 PolarHBondContact O-N 3.47Å; L143-A146 CarbonylContact O-C 3.52Å; L143-A146 PolarHBondContact O-N 3Å; L143-A146 VanDerWaalsContact O-N 3.16Å; L143-G147 PolarHBondContact O-N 2.88Å; L143-D148 HydrophobicContact CD2-CB 4.01Å; L143-D148 PolarHBondContact O-N 2.99Å; L143-A152 HydrophobicContact CB-CB 3.75Å; L143-A155 HydrophobicContact CD1-CB 4.37Å
144	V	94	Very high	94.1	Very high	53 Å²	53	38.7 Å²	38.7	32%	0.321	24%	0.236	S	C	.	.	H	α-helix	trans	-58.4	-47.5	171.1	173.6	0	0	0	0	110.4	A140 A146 G147 M149 A152 L176	A140-V144 WeakPolarHBondContact O-CG2 3.4Å; A140-V144 PolarHBondContact O-N 3.06Å; V144-A146 PolarHBondContact O-N 2.75Å; V144-G147 PolarHBondContact O-N 3.45Å; V144-G147 VanDerWaalsContact O-N 3.11Å; V144-M149 HydrophobicContact CG1-SD 4.42Å; V144-A152 HydrophobicContact CG2-CB 3.62Å; V144-L176 HydrophobicContact CG2-CD1 4.06Å; V144-L176 HydrophobicContact CG2-CD2 4.07Å
145	A	91.8	Very high	94.4	Very high	61 Å²	61	34.4 Å²	34.4	50%	0.504	21%	0.214	S	C	.	.	H	α-helix	trans	-63.5	-28.8	177.6	0	0	0	0	0	113.2	L115 A141 A142 L143	L115-A145 HydrophobicContact CD1-CB 4.07Å; L115-A145 WeakPolarHBondContact CD1-O 3.36Å; L115-A145 HydrophobicContact CD2-CB 3.9Å; A141-A145 PolarHBondContact O-N 3.37Å; A142-A145 PolarHBondContact O-N 3.48Å; L143-A145 VanDerWaalsContact C-N 3.34Å; L143-A145 PolarHBondContact O-N 3.47Å
146	A	92.4	Very high	94.5	Very high	52 Å²	52	35.2 Å²	35.2	43%	0.43	22%	0.217	S	C	.	.	H	α-helix	trans	-84.5	-8.4	176.5	0	0	0	0	0	113.8	L115 I119 A142 L143 V144	L115-A146 HydrophobicContact CB-CB 4.38Å; L115-A146 HydrophobicContact CD1-CB 4.1Å; I119-A146 HydrophobicContact CD1-CB 3.89Å; A142-A146 WeakPolarHBondContact O-CB 3.44Å; A142-A146 PolarHBondContact O-N 2.75Å; L143-A146 CarbonylContact O-C 3.52Å; L143-A146 PolarHBondContact O-N 3Å; L143-A146 VanDerWaalsContact O-N 3.16Å; V144-A146 PolarHBondContact O-N 2.75Å
147	G	90.4	Very high	94.4	Very high	48 Å²	48	35.1 Å²	35.1	50%	0.495	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	5	-177.1	0	0	0	0	0	115.4	L143 V144 M149	L143-G147 PolarHBondContact O-N 2.88Å; V144-G147 PolarHBondContact O-N 3.45Å; V144-G147 VanDerWaalsContact O-N 3.11Å; G147-M149 PolarHBondContact O-N 3.47Å; G147-M149 VanDerWaalsContact O-N 3.13Å
148	D	93	Very high	94.4	Very high	61 Å²	61	35 Å²	35	33%	0.326	23%	0.225	S	C	.	.			trans	-86.5	77	175.7	-174.9	-2.4	0	0	0	110.4	L143 S151 A152	L143-D148 HydrophobicContact CD2-CB 4.01Å; L143-D148 PolarHBondContact O-N 2.99Å; D148-S151 VanDerWaalsContact CG-CB 3.41Å; D148-S151 WeakPolarHBondContact OD1-CB 3.37Å; D148-S151 PolarHBondContact OD1-N 3.38Å; D148-S151 PolarHBondContact OD1-OG 2.89Å; D148-S151 WeakPolarHBondContact OD2-CB 3.47Å; D148-S151 PolarHBondContact OD2-OG 2.84Å; D148-A152 PolarHBondContact O-N 2.82Å; D148-A152 VanDerWaalsContact O-N 3.16Å
149	M	90.9	Very high	94.3	Very high	64 Å²	64	33.2 Å²	33.2	32%	0.315	22%	0.215	S	C	.	.	H	α-helix	trans	-68.7	-37.4	-170.5	-57.2	-54.4	-175.7	0	0	113.3	V144 G147 A152 V153 L176 L180	V144-M149 HydrophobicContact CG1-SD 4.42Å; G147-M149 PolarHBondContact O-N 3.47Å; G147-M149 VanDerWaalsContact O-N 3.13Å; M149-A152 WeakPolarHBondContact O-CB 3.26Å; M149-A152 PolarHBondContact O-N 3.11Å; M149-V153 WeakPolarHBondContact O-CG2 3.46Å; M149-V153 PolarHBondContact O-N 3.43Å; M149-L176 HydrophobicContact CB-CD1 4.01Å; M149-L176 HydrophobicContact CG-CD1 4.18Å; M149-L176 HydrophobicContact SD-CD1 3.48Å; M149-L176 WeakPolarHBondContact SD-CD1 3.35Å; M149-L180 HydrophobicContact CB-CD1 4.14Å; M149-L180 HydrophobicContact CB-CD2 3.74Å; M149-L180 HydrophobicContact CB-CG 4.22Å; M149-L180 HydrophobicContact CG-CD2 4.23Å
150	E	92.6	Very high	94.2	Very high	79 Å²	79	33.2 Å²	33.2	37%	0.369	22%	0.215	S	C	.	.	H	α-helix	trans	-68.7	-42.4	-179.9	-67.1	-60	147.2	0	0	112	A152 V153 N154 R182	E150-A152 VanDerWaalsContact C-N 3.25Å; E150-A152 PolarHBondContact O-N 3.46Å; E150-V153 WeakPolarHBondContact O-CB 3.42Å; E150-V153 PolarHBondContact O-N 3.27Å; E150-N154 PolarHBondContact O-N 2.58Å; E150-N154 VanDerWaalsContact O-N 3.08Å; E150-N154 PolarHBondContact O-ND2 2.88Å; E150-R182 IonicContact OE1-CZ 4Å; E150-R182 IonicContact OE1-NH1 2.85Å; E150-R182 IonicContact OE1-NH2 3.8Å; E150-R182 PolarHBondContact OE1-NH2 3.19Å; E150-R182 IonicContact OE2-CZ 3.58Å; E150-R182 IonicContact OE2-NH1 3.21Å; E150-R182 PolarHBondContact OE2-NH1 3.22Å; E150-R182 IonicContact OE2-NH2 2.82Å; E150-R182 PolarHBondContact OE2-NH2 3.36Å
151	S	94.2	Very high	94.1	Very high	37 Å²	37	40.3 Å²	40.3	26%	0.259	25%	0.248	S	C	.	.	H	α-helix	trans	-64.7	-34.7	175.1	-61.7	0	0	0	0	111.2	D148 N154 A155	D148-S151 VanDerWaalsContact CG-CB 3.41Å; D148-S151 WeakPolarHBondContact OD1-CB 3.37Å; D148-S151 PolarHBondContact OD1-N 3.38Å; D148-S151 PolarHBondContact OD1-OG 2.89Å; D148-S151 WeakPolarHBondContact OD2-CB 3.47Å; D148-S151 PolarHBondContact OD2-OG 2.84Å; S151-N154 PolarHBondContact O-N 2.72Å; S151-A155 WeakPolarHBondContact O-CB 3.46Å; S151-A155 PolarHBondContact O-N 3.24Å
152	A	95.6	Very high	94.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.3	-41.9	174.9	0	0	0	0	0	112.3	L143 V144 D148 M149 E150 N154 A155 Y156 L176	L143-A152 HydrophobicContact CB-CB 3.75Å; V144-A152 HydrophobicContact CG2-CB 3.62Å; D148-A152 PolarHBondContact O-N 2.82Å; D148-A152 VanDerWaalsContact O-N 3.16Å; M149-A152 WeakPolarHBondContact O-CB 3.26Å; M149-A152 PolarHBondContact O-N 3.11Å; E150-A152 VanDerWaalsContact C-N 3.25Å; E150-A152 PolarHBondContact O-N 3.46Å; A152-N154 VanDerWaalsContact C-N 3.32Å; A152-N154 PolarHBondContact O-N 3.41Å; A152-A155 PolarHBondContact O-N 2.94Å; A152-Y156 WeakPolarHBondContact O-CD2 3.42Å; A152-Y156 PolarHBondContact O-N 2.94Å; A152-L176 HydrophobicContact CB-CD2 3.61Å
153	V	96.1	Very high	94	Very high	14 Å²	14	46.5 Å²	46.5	9%	0.085	27%	0.27	C	S	.	.	H	α-helix	trans	-55.8	-48.7	172.8	166	0	0	0	0	110.4	M149 E150 A155 Y156 A157 L173 L176 L177 L180	M149-V153 WeakPolarHBondContact O-CG2 3.46Å; M149-V153 PolarHBondContact O-N 3.43Å; E150-V153 WeakPolarHBondContact O-CB 3.42Å; E150-V153 PolarHBondContact O-N 3.27Å; V153-A155 PolarHBondContact O-N 2.94Å; V153-Y156 PolarHBondContact O-N 2.97Å; V153-A157 WeakPolarHBondContact O-CB 3.42Å; V153-A157 PolarHBondContact O-N 3.41Å; V153-L173 HydrophobicContact CB-CD1 4.23Å; V153-L173 HydrophobicContact CG1-CD1 3.98Å; V153-L173 HydrophobicContact CG2-CD1 4.15Å; V153-L176 HydrophobicContact CB-CD2 4.4Å; V153-L176 HydrophobicContact CG2-CD2 3.55Å; V153-L176 HydrophobicContact CG2-CG 3.89Å; V153-L177 HydrophobicContact CG1-CD2 4.34Å; V153-L177 HydrophobicContact CG2-CD2 4.08Å; V153-L180 HydrophobicContact CG2-CD1 3.92Å
154	N	95.3	Very high	93.8	Very high	99 Å²	99	49.5 Å²	49.5	53%	0.529	29%	0.29	S	S	.	.	H	α-helix	trans	-62.3	-44.4	179.1	-72.2	-37	0	0	0	112.1	E150 S151 A152 Y156 A157 T158	E150-N154 PolarHBondContact O-N 2.58Å; E150-N154 VanDerWaalsContact O-N 3.08Å; E150-N154 PolarHBondContact O-ND2 2.88Å; S151-N154 PolarHBondContact O-N 2.72Å; A152-N154 VanDerWaalsContact C-N 3.32Å; A152-N154 PolarHBondContact O-N 3.41Å; N154-Y156 PolarHBondContact O-N 2.99Å; N154-A157 PolarHBondContact O-N 3.02Å; N154-T158 PolarHBondContact O-N 3.3Å; N154-T158 PolarHBondContact O-OG1 2.81Å
155	A	95.4	Very high	93.7	Very high	5 Å²	5	52.3 Å²	52.3	4%	0.041	30%	0.303	C	S	.	.	H	α-helix	trans	-61.5	-44.8	178.6	0	0	0	0	0	111.9	L139 A140 L143 S151 A152 V153 T158 A159	L139-A155 HydrophobicContact CD2-CB 4.29Å; L139-A155 HydrophobicContact CG-CB 4.3Å; A140-A155 HydrophobicContact CB-CB 3.77Å; L143-A155 HydrophobicContact CD1-CB 4.37Å; S151-A155 WeakPolarHBondContact O-CB 3.46Å; S151-A155 PolarHBondContact O-N 3.24Å; A152-A155 PolarHBondContact O-N 2.94Å; V153-A155 PolarHBondContact O-N 2.94Å; A155-T158 PolarHBondContact O-N 2.86Å; A155-A159 PolarHBondContact O-N 2.98Å
156	Y	96.4	Very high	93.8	Very high	17 Å²	17	51.4 Å²	51.4	7%	0.067	29%	0.29	C	S	.	.	H	α-helix	trans	-63.8	-42.3	173.6	-78.5	-46.8	0	0	0	112.8	A140 A152 V153 N154 T158 A159 L160 V169 D172 L173 L176	A140-Y156 HydrophobicContact CB-CD1 3.52Å; A140-Y156 HydrophobicContact CB-CD2 3.71Å; A140-Y156 HydrophobicContact CB-CE1 3.52Å; A140-Y156 HydrophobicContact CB-CE2 3.67Å; A140-Y156 HydrophobicContact CB-CG 3.65Å; A152-Y156 WeakPolarHBondContact O-CD2 3.42Å; A152-Y156 PolarHBondContact O-N 2.94Å; V153-Y156 PolarHBondContact O-N 2.97Å; N154-Y156 PolarHBondContact O-N 2.99Å; Y156-T158 VanDerWaalsContact C-N 3.33Å; Y156-T158 PolarHBondContact O-N 2.99Å; Y156-A159 WeakPolarHBondContact O-CB 3.43Å; Y156-A159 PolarHBondContact O-N 3.08Å; Y156-L160 WeakPolarHBondContact O-CG 3.23Å; Y156-L160 PolarHBondContact O-N 3.44Å; Y156-V169 HydrophobicContact CD1-CG1 3.42Å; Y156-V169 VanDerWaalsContact CD1-CG1 3.42Å; Y156-V169 HydrophobicContact CE1-CG1 3.93Å; Y156-V169 HydrophobicContact CG-CG1 4.33Å; Y156-D172 HydrophobicContact CE1-CB 4.46Å; Y156-D172 HydrophobicContact CE2-CB 4.39Å; Y156-L173 HydrophobicContact CD2-CB 4.39Å; Y156-L173 HydrophobicContact CG-CB 4.39Å; Y156-L176 HydrophobicContact CD2-CD2 4.23Å; Y156-L176 HydrophobicContact CE2-CD2 4.4Å
157	A	94.7	Very high	93.8	Very high	32 Å²	32	53 Å²	53	26%	0.264	29%	0.285	S	S	.	.	H	α-helix	trans	-60.9	-42.3	177.5	0	0	0	0	0	111.5	V153 N154 L160 Q161	V153-A157 WeakPolarHBondContact O-CB 3.42Å; V153-A157 PolarHBondContact O-N 3.41Å; N154-A157 PolarHBondContact O-N 3.02Å; A157-L160 PolarHBondContact O-N 2.89Å; A157-Q161 WeakPolarHBondContact O-CG 3.39Å; A157-Q161 PolarHBondContact O-N 3.34Å
158	T	95.4	Very high	94	Very high	34 Å²	34	53.4 Å²	53.4	21%	0.209	28%	0.28	C	S	.	.	H	α-helix	trans	-65.5	-42.2	175.5	-55.6	0	0	0	0	111.8	Y136 N154 A155 Y156 L160 Q161 Y162	Y136-T158 HydrophobicContact CD1-CG2 4Å; Y136-T158 HydrophobicContact CD2-CG2 4.24Å; Y136-T158 HydrophobicContact CE1-CG2 3.52Å; Y136-T158 HydrophobicContact CE2-CG2 3.77Å; Y136-T158 HydrophobicContact CG-CG2 4.35Å; Y136-T158 VanDerWaalsContact CZ-CG2 3.4Å; N154-T158 PolarHBondContact O-N 3.3Å; N154-T158 PolarHBondContact O-OG1 2.81Å; A155-T158 PolarHBondContact O-N 2.86Å; Y156-T158 VanDerWaalsContact C-N 3.33Å; Y156-T158 PolarHBondContact O-N 2.99Å; T158-L160 VanDerWaalsContact C-N 3.26Å; T158-L160 PolarHBondContact O-N 2.92Å; T158-Q161 WeakPolarHBondContact O-CB 3.37Å; T158-Q161 PolarHBondContact O-N 3.39Å; T158-Q161 VanDerWaalsContact O-N 3.09Å; T158-Y162 HydrophobicContact CG2-CD2 4.08Å; T158-Y162 HydrophobicContact CG2-CE2 3.75Å; T158-Y162 VanDerWaalsContact O-CD2 3.3Å; T158-Y162 WeakPolarHBondContact O-CD2 3.43Å; T158-Y162 PolarHBondContact O-N 3.14Å
159	A	94.4	Very high	94	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-56.2	-42.6	173.6	0	0	0	0	0	111.8	I137 A155 Y156 Q161 Y162 N163	I137-A159 HydrophobicContact CG1-CB 4.1Å; A155-A159 PolarHBondContact O-N 2.98Å; Y156-A159 WeakPolarHBondContact O-CB 3.43Å; Y156-A159 PolarHBondContact O-N 3.08Å; A159-Q161 VanDerWaalsContact C-N 3.34Å; A159-Y162 PolarHBondContact O-N 3.43Å; A159-N163 PolarHBondContact O-N 3.44Å
160	L	94.3	Very high	94.3	Very high	12 Å²	12	49.8 Å²	49.8	6%	0.063	26%	0.259	C	S	.	.	H	α-helix	trans	-73.5	-20.7	178.1	-68.3	168	0	0	0	114	Y156 A157 T158 N163 P164 L166 V169 R170 L173	Y156-L160 WeakPolarHBondContact O-CG 3.23Å; Y156-L160 PolarHBondContact O-N 3.44Å; A157-L160 PolarHBondContact O-N 2.89Å; T158-L160 VanDerWaalsContact C-N 3.26Å; T158-L160 PolarHBondContact O-N 2.92Å; L160-N163 CarbonylContact O-C 3.22Å; L160-P164 VanDerWaalsContact O-CA 3.31Å; L160-P164 WeakPolarHBondContact O-CA 3.47Å; L160-P164 WeakPolarHBondContact O-CG 3.44Å; L160-L166 HydrophobicContact CD2-CB 4.04Å; L160-V169 HydrophobicContact CD2-CB 4.35Å; L160-V169 HydrophobicContact CD2-CG1 4.35Å; L160-V169 HydrophobicContact CG-CG1 4.27Å; L160-R170 HydrophobicContact CD1-CB 3.94Å; L160-R170 HydrophobicContact CD1-CG 4.26Å; L160-R170 HydrophobicContact CD2-CB 3.91Å; L160-L173 HydrophobicContact CD1-CD2 3.76Å
161	Q	94.7	Very high	94.4	Very high	149 Å²	149	46 Å²	46	70%	0.696	24%	0.242	S	C	*	.	H	α-helix	trans	-70.7	-39.5	170.7	-75.4	172.8	7.9	0	0	111.1	A157 T158 A159	A157-Q161 WeakPolarHBondContact O-CG 3.39Å; A157-Q161 PolarHBondContact O-N 3.34Å; T158-Q161 WeakPolarHBondContact O-CB 3.37Å; T158-Q161 PolarHBondContact O-N 3.39Å; T158-Q161 VanDerWaalsContact O-N 3.09Å; A159-Q161 VanDerWaalsContact C-N 3.34Å
162	Y	93.2	Very high	94.4	Very high	107 Å²	107	47.6 Å²	47.6	42%	0.42	25%	0.248	S	C	.	.	H	α-helix	trans	-74.1	-38.1	176.3	-75.2	-69.6	0	0	0	112.6	P130 D131 Y136 T158 A159	P130-Y162 WeakPolarHBondContact O-CE2 3.46Å; P130-Y162 PolarHBondContact O-OH 3.19Å; D131-Y162 HydrophobicContact CB-CD1 4Å; D131-Y162 HydrophobicContact CB-CE1 3.6Å; Y136-Y162 HydrophobicContact CD2-CD2 4.45Å; Y136-Y162 HydrophobicContact CE2-CD2 4.01Å; Y136-Y162 AromaticContact CE2-CE2 3.71Å; Y136-Y162 HydrophobicContact CE2-CE2 3.71Å; T158-Y162 HydrophobicContact CG2-CD2 4.08Å; T158-Y162 HydrophobicContact CG2-CE2 3.75Å; T158-Y162 VanDerWaalsContact O-CD2 3.3Å; T158-Y162 WeakPolarHBondContact O-CD2 3.43Å; T158-Y162 PolarHBondContact O-N 3.14Å; A159-Y162 PolarHBondContact O-N 3.43Å
163	N	93.2	Very high	94.5	Very high	50 Å²	50	48.2 Å²	48.2	27%	0.267	25%	0.251	S	S	.	.			trans	-139.5	97.8	174.3	-175.7	-5.1	0	0	0	111.5	I133 A159 L160 D165 L166	I133-N163 HydrophobicContact CD1-CB 3.71Å; A159-N163 PolarHBondContact O-N 3.44Å; L160-N163 CarbonylContact O-C 3.22Å; N163-D165 PolarHBondContact O-N 3.14Å; N163-D165 PolarHBondContact OD1-N 3.46Å; N163-L166 HydrophobicContact CB-CD1 3.88Å; N163-L166 HydrophobicContact CB-CG 3.96Å; N163-L166 WeakPolarHBondContact O-CG 3.3Å
164	P	91.1	Very high	94.5	Very high	66 Å²	66	47.6 Å²	47.6	43%	0.429	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-16.9	178.9	-23.9	34.7	0	0	0	115.1	L160 L166 R170	L160-P164 VanDerWaalsContact O-CA 3.31Å; L160-P164 WeakPolarHBondContact O-CA 3.47Å; L160-P164 WeakPolarHBondContact O-CG 3.44Å; P164-L166 VanDerWaalsContact C-N 3.29Å; P164-L166 PolarHBondContact O-N 3.36Å; P164-R170 PolarHBondContact O-NH1 3.45Å
165	D	92.3	Very high	94.4	Very high	111 Å²	111	45.4 Å²	45.4	59%	0.594	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	0.9	-173.6	-64.5	-32.8	0	0	0	113.6	N163 Y167 T196	N163-D165 PolarHBondContact O-N 3.14Å; N163-D165 PolarHBondContact OD1-N 3.46Å; D165-Y167 PolarHBondContact O-N 2.76Å; D165-T196 HydrophobicContact CB-CG2 4.3Å
166	L	93.7	Very high	94.3	Very high	43 Å²	43	45.7 Å²	45.7	23%	0.225	24%	0.236	C	C	.	.			trans	-74.6	69.3	177.4	-59.4	173.2	0	0	0	111.8	I133 I137 L160 N163 P164 C168 V169 R170	I133-L166 HydrophobicContact CG2-CD1 3.6Å; I137-L166 HydrophobicContact CD1-CD1 4.27Å; L160-L166 HydrophobicContact CD2-CB 4.04Å; N163-L166 HydrophobicContact CB-CD1 3.88Å; N163-L166 HydrophobicContact CB-CG 3.96Å; N163-L166 WeakPolarHBondContact O-CG 3.3Å; P164-L166 VanDerWaalsContact C-N 3.29Å; P164-L166 PolarHBondContact O-N 3.36Å; L166-C168 VanDerWaalsContact C-N 3.3Å; L166-C168 PolarHBondContact O-N 2.74Å; L166-V169 HydrophobicContact CB-CB 3.92Å; L166-V169 HydrophobicContact CB-CG2 3.91Å; L166-V169 HydrophobicContact CD1-CG2 4.33Å; L166-V169 WeakPolarHBondContact O-CB 3.3Å; L166-V169 PolarHBondContact O-N 3.04Å; L166-V169 VanDerWaalsContact O-N 3.11Å; L166-R170 PolarHBondContact O-N 3Å
167	Y	93.4	Very high	94.3	Very high	84 Å²	84	45.1 Å²	45.1	33%	0.329	23%	0.234	S	C	.	.	H	α-helix	trans	-58.4	-35.4	-175	64.8	-90.7	0	0	0	113.9	D165 R170 S171 T196 C197 F200	D165-Y167 PolarHBondContact O-N 2.76Å; Y167-R170 PolarHBondContact O-N 2.84Å; Y167-S171 PolarHBondContact O-N 2.9Å; Y167-T196 HydrophobicContact CD1-CG2 4.23Å; Y167-C197 HydrophobicContact CD1-CB 3.86Å; Y167-C197 HydrophobicContact CD2-CB 3.83Å; Y167-C197 HydrophobicContact CE1-CB 4.11Å; Y167-C197 HydrophobicContact CE2-CB 4.07Å; Y167-C197 HydrophobicContact CG-CB 3.73Å; Y167-F200 HydrophobicContact CD2-CB 4.23Å; Y167-F200 AromaticContact CD2-CD1 3.83Å; Y167-F200 HydrophobicContact CD2-CD1 3.83Å; Y167-F200 HydrophobicContact CD2-CD2 4.19Å; Y167-F200 HydrophobicContact CD2-CE1 4.21Å; Y167-F200 AromaticContact CD2-CG 3.83Å; Y167-F200 HydrophobicContact CD2-CG 3.83Å; Y167-F200 HydrophobicContact CE2-CB 4.29Å; Y167-F200 HydrophobicContact CE2-CD1 4.32Å; Y167-F200 AromaticContact CE2-CD2 3.84Å; Y167-F200 HydrophobicContact CE2-CD2 3.84Å; Y167-F200 HydrophobicContact CE2-CE2 4.22Å; Y167-F200 AromaticContact CE2-CG 3.9Å; Y167-F200 HydrophobicContact CE2-CG 3.9Å
168	C	94	Very high	94.2	Very high	57 Å²	57	47 Å²	47	39%	0.385	24%	0.236	S	C	.	.	H	α-helix	trans	-61.3	-48.8	174.2	-62.4	0	0	0	0	111.4	L166 R170 S171 D172	L166-C168 VanDerWaalsContact C-N 3.3Å; L166-C168 PolarHBondContact O-N 2.74Å; C168-R170 VanDerWaalsContact C-N 3.29Å; C168-R170 PolarHBondContact O-N 3.07Å; C168-S171 WeakPolarHBondContact O-CB 3.49Å; C168-S171 PolarHBondContact O-N 3.24Å; C168-S171 VanDerWaalsContact O-N 3.08Å; C168-D172 PolarHBondContact O-N 2.92Å
169	V	93.7	Very high	94	Very high	13 Å²	13	49.5 Å²	49.5	8%	0.079	26%	0.26	C	S	.	.	H	α-helix	trans	-61.7	-39.9	178.3	179.6	0	0	0	0	110.8	I137 Y156 L160 L166 S171 D172 L173	I137-V169 HydrophobicContact CD1-CG2 3.71Å; I137-V169 HydrophobicContact CG1-CG1 4.35Å; I137-V169 HydrophobicContact CG1-CG2 3.99Å; Y156-V169 HydrophobicContact CD1-CG1 3.42Å; Y156-V169 VanDerWaalsContact CD1-CG1 3.42Å; Y156-V169 HydrophobicContact CE1-CG1 3.93Å; Y156-V169 HydrophobicContact CG-CG1 4.33Å; L160-V169 HydrophobicContact CD2-CB 4.35Å; L160-V169 HydrophobicContact CD2-CG1 4.35Å; L160-V169 HydrophobicContact CG-CG1 4.27Å; L166-V169 HydrophobicContact CB-CB 3.92Å; L166-V169 HydrophobicContact CB-CG2 3.91Å; L166-V169 HydrophobicContact CD1-CG2 4.33Å; L166-V169 WeakPolarHBondContact O-CB 3.3Å; L166-V169 PolarHBondContact O-N 3.04Å; L166-V169 VanDerWaalsContact O-N 3.11Å; V169-S171 VanDerWaalsContact C-N 3.34Å; V169-S171 PolarHBondContact O-N 3.38Å; V169-D172 PolarHBondContact O-N 3.44Å; V169-L173 PolarHBondContact O-N 2.97Å
170	R	96.6	Very high	93.9	Very high	36 Å²	36	52.4 Å²	52.4	14%	0.136	28%	0.276	C	S	.	.	H	α-helix	trans	-64.4	-38.3	174.6	-176.9	174	-92.1	116.7	4.9	112.4	L160 P164 L166 Y167 C168 L173 G174 C189 K192 A193	L160-R170 HydrophobicContact CD1-CB 3.94Å; L160-R170 HydrophobicContact CD1-CG 4.26Å; L160-R170 HydrophobicContact CD2-CB 3.91Å; P164-R170 PolarHBondContact O-NH1 3.45Å; L166-R170 PolarHBondContact O-N 3Å; Y167-R170 PolarHBondContact O-N 2.84Å; C168-R170 VanDerWaalsContact C-N 3.29Å; C168-R170 PolarHBondContact O-N 3.07Å; R170-L173 WeakPolarHBondContact O-CB 2.96Å; R170-L173 PolarHBondContact O-N 3.13Å; R170-G174 PolarHBondContact O-N 2.88Å; R170-C189 VanDerWaalsContact CD-O 3.3Å; R170-C189 WeakPolarHBondContact CD-O 3.27Å; R170-C189 HydrophobicContact CG-CB 4.06Å; R170-C189 WeakPolarHBondContact CG-O 3.35Å; R170-K192 VanDerWaalsContact CD-CB 3.44Å; R170-A193 HydrophobicContact CB-CB 4.41Å; R170-A193 HydrophobicContact CG-CB 4.36Å
171	S	95.4	Very high	93.7	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.007	30%	0.3	C	S	.	.	H	α-helix	trans	-66.8	-39.5	174.2	-178.6	0	0	0	0	112.1	Y167 C168 V169 G174 N175 Y190	Y167-S171 PolarHBondContact O-N 2.9Å; C168-S171 WeakPolarHBondContact O-CB 3.49Å; C168-S171 PolarHBondContact O-N 3.24Å; C168-S171 VanDerWaalsContact O-N 3.08Å; V169-S171 VanDerWaalsContact C-N 3.34Å; V169-S171 PolarHBondContact O-N 3.38Å; S171-G174 CarbonylContact O-C 3.38Å; S171-G174 WeakPolarHBondContact O-CA 3.4Å; S171-G174 PolarHBondContact O-N 3.23Å; S171-G174 VanDerWaalsContact O-N 3.08Å; S171-N175 VanDerWaalsContact O-CG 3.32Å; S171-N175 PolarHBondContact O-N 3Å; S171-Y190 WeakPolarHBondContact O-CE1 3.37Å
172	D	93.9	Very high	93.7	Very high	70 Å²	70	51.3 Å²	51.3	37%	0.374	28%	0.281	S	S	.	.	H	α-helix	trans	-64.3	-39.9	175.1	-68.8	-23.7	0	0	0	112	Y156 C168 V169 G174 N175 L176	Y156-D172 HydrophobicContact CE1-CB 4.46Å; Y156-D172 HydrophobicContact CE2-CB 4.39Å; C168-D172 PolarHBondContact O-N 2.92Å; V169-D172 PolarHBondContact O-N 3.44Å; D172-G174 VanDerWaalsContact C-N 3.29Å; D172-G174 PolarHBondContact O-N 2.66Å; D172-N175 WeakPolarHBondContact O-CB 3.39Å; D172-N175 PolarHBondContact O-N 3.2Å; D172-L176 PolarHBondContact O-N 2.89Å
173	L	96.6	Very high	93.7	Very high	13 Å²	13	48.2 Å²	48.2	7%	0.068	27%	0.272	C	S	.	.	H	α-helix	trans	-58	-43.7	168.9	174.3	59.7	0	0	0	111.2	V153 Y156 L160 V169 R170 N175 L176 L177	V153-L173 HydrophobicContact CB-CD1 4.23Å; V153-L173 HydrophobicContact CG1-CD1 3.98Å; V153-L173 HydrophobicContact CG2-CD1 4.15Å; Y156-L173 HydrophobicContact CD2-CB 4.39Å; Y156-L173 HydrophobicContact CG-CB 4.39Å; L160-L173 HydrophobicContact CD1-CD2 3.76Å; V169-L173 PolarHBondContact O-N 2.97Å; R170-L173 WeakPolarHBondContact O-CB 2.96Å; R170-L173 PolarHBondContact O-N 3.13Å; L173-N175 VanDerWaalsContact C-N 3.34Å; L173-N175 PolarHBondContact O-N 3.42Å; L173-L176 PolarHBondContact O-N 3Å; L173-L177 HydrophobicContact CD1-CD1 3.97Å; L173-L177 HydrophobicContact CD1-CG 4.09Å; L173-L177 HydrophobicContact CG-CD1 3.87Å; L173-L177 HydrophobicContact CG-CG 4.45Å; L173-L177 WeakPolarHBondContact O-CB 3.44Å; L173-L177 VanDerWaalsContact O-CG 3.26Å; L173-L177 WeakPolarHBondContact O-CG 3.29Å; L173-L177 PolarHBondContact O-N 2.96Å
174	G	96	Very high	93.7	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-58.3	-43.3	173.8	0	0	0	0	0	112.8	R170 S171 D172 L176 L177 K178 A186 Y190	R170-G174 PolarHBondContact O-N 2.88Å; S171-G174 CarbonylContact O-C 3.38Å; S171-G174 WeakPolarHBondContact O-CA 3.4Å; S171-G174 PolarHBondContact O-N 3.23Å; S171-G174 VanDerWaalsContact O-N 3.08Å; D172-G174 VanDerWaalsContact C-N 3.29Å; D172-G174 PolarHBondContact O-N 2.66Å; G174-L176 VanDerWaalsContact C-N 3.34Å; G174-L176 PolarHBondContact O-N 2.78Å; G174-L177 PolarHBondContact O-N 2.94Å; G174-K178 WeakPolarHBondContact O-CB 3.47Å; G174-K178 PolarHBondContact O-N 3.38Å; G174-A186 WeakPolarHBondContact O-CB 3.47Å; G174-Y190 VanDerWaalsContact C-CZ 3.43Å; G174-Y190 PolarHBondContact O-OH 3.12Å
175	N	94	Very high	93.8	Very high	54 Å²	54	52.5 Å²	52.5	29%	0.289	29%	0.288	S	S	.	.	H	α-helix	trans	-61.4	-43.2	177.6	-66.1	-22	0	0	0	111.8	S171 D172 L173 K178 A179 Y190 N206	S171-N175 VanDerWaalsContact O-CG 3.32Å; S171-N175 PolarHBondContact O-N 3Å; D172-N175 WeakPolarHBondContact O-CB 3.39Å; D172-N175 PolarHBondContact O-N 3.2Å; L173-N175 VanDerWaalsContact C-N 3.34Å; L173-N175 PolarHBondContact O-N 3.42Å; N175-K178 PolarHBondContact O-N 2.66Å; N175-A179 PolarHBondContact O-N 3.09Å; N175-Y190 VanDerWaalsContact CA-OH 3.23Å; N175-Y190 WeakPolarHBondContact CA-OH 3.34Å; N175-Y190 PolarHBondContact N-OH 2.94Å; N175-Y190 VanDerWaalsContact N-OH 3.1Å; N175-Y190 WeakPolarHBondContact OD1-CE1 3.44Å; N175-Y190 PolarHBondContact OD1-OH 3.3Å; N175-N206 PolarHBondContact OD1-ND2 3.27Å
176	L	94.4	Very high	94	Very high	11 Å²	11	47.2 Å²	47.2	6%	0.058	26%	0.26	C	S	.	.	H	α-helix	trans	-64.4	-45.8	176.6	-178.5	59.6	0	0	0	111.8	V144 M149 A152 V153 Y156 D172 L173 G174 K178 A179 L180	V144-L176 HydrophobicContact CG2-CD1 4.06Å; V144-L176 HydrophobicContact CG2-CD2 4.07Å; M149-L176 HydrophobicContact CB-CD1 4.01Å; M149-L176 HydrophobicContact CG-CD1 4.18Å; M149-L176 HydrophobicContact SD-CD1 3.48Å; M149-L176 WeakPolarHBondContact SD-CD1 3.35Å; A152-L176 HydrophobicContact CB-CD2 3.61Å; V153-L176 HydrophobicContact CB-CD2 4.4Å; V153-L176 HydrophobicContact CG2-CD2 3.55Å; V153-L176 HydrophobicContact CG2-CG 3.89Å; Y156-L176 HydrophobicContact CD2-CD2 4.23Å; Y156-L176 HydrophobicContact CE2-CD2 4.4Å; D172-L176 PolarHBondContact O-N 2.89Å; L173-L176 PolarHBondContact O-N 3Å; G174-L176 VanDerWaalsContact C-N 3.34Å; G174-L176 PolarHBondContact O-N 2.78Å; L176-K178 VanDerWaalsContact C-N 3.33Å; L176-K178 PolarHBondContact O-N 3.02Å; L176-A179 WeakPolarHBondContact O-CB 3.1Å; L176-A179 PolarHBondContact O-N 3.35Å; L176-L180 HydrophobicContact CG-CD1 4.5Å; L176-L180 WeakPolarHBondContact O-CG 3.28Å; L176-L180 PolarHBondContact O-N 3.03Å
177	L	96	Very high	94.1	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-62.8	-39.2	177	-70.8	165.8	0	0	0	111.9	V153 L173 G174 L180 G181 R182 E185 A186 C189	V153-L177 HydrophobicContact CG1-CD2 4.34Å; V153-L177 HydrophobicContact CG2-CD2 4.08Å; L173-L177 HydrophobicContact CD1-CD1 3.97Å; L173-L177 HydrophobicContact CD1-CG 4.09Å; L173-L177 HydrophobicContact CG-CD1 3.87Å; L173-L177 HydrophobicContact CG-CG 4.45Å; L173-L177 WeakPolarHBondContact O-CB 3.44Å; L173-L177 VanDerWaalsContact O-CG 3.26Å; L173-L177 WeakPolarHBondContact O-CG 3.29Å; L173-L177 PolarHBondContact O-N 2.96Å; G174-L177 PolarHBondContact O-N 2.94Å; L177-L180 CarbonylContact O-C 3.13Å; L177-L180 PolarHBondContact O-N 2.88Å; L177-G181 PolarHBondContact O-N 3.35Å; L177-R182 HydrophobicContact CB-CB 4.33Å; L177-R182 HydrophobicContact CD2-CB 4.2Å; L177-R182 PolarHBondContact O-N 3.3Å; L177-E185 HydrophobicContact CD1-CB 3.86Å; L177-E185 HydrophobicContact CD2-CB 4.26Å; L177-E185 HydrophobicContact CG-CB 4.49Å; L177-A186 HydrophobicContact CB-CB 3.91Å; L177-C189 VanDerWaalsContact CD1-SG 3.58Å
178	K	93	Very high	94.2	Very high	71 Å²	71	46.8 Å²	46.8	31%	0.309	27%	0.266	S	S	.	.	H	α-helix	trans	-61.8	-44.7	173.3	-178.6	-172.3	169.9	-161.9	0	111.1	G174 N175 L176 L180 G181 L183 A186 C209 V210	G174-K178 WeakPolarHBondContact O-CB 3.47Å; G174-K178 PolarHBondContact O-N 3.38Å; N175-K178 PolarHBondContact O-N 2.66Å; L176-K178 VanDerWaalsContact C-N 3.33Å; L176-K178 PolarHBondContact O-N 3.02Å; K178-L180 PolarHBondContact O-N 3.04Å; K178-G181 PolarHBondContact O-N 2.82Å; K178-L183 HydrophobicContact CG-CD2 4.21Å; K178-A186 HydrophobicContact CB-CB 4.03Å; K178-C209 VanDerWaalsContact NZ-CB 3.33Å; K178-V210 HydrophobicContact CD-CG2 4.32Å; K178-V210 HydrophobicContact CG-CG2 4.48Å
179	A	90.3	Very high	94.3	Very high	87 Å²	87	44.9 Å²	44.9	72%	0.719	25%	0.253	S	S	*	.	H	α-helix	trans	-63.3	-29.2	176.4	0	0	0	0	0	112.8	N175 L176 G181	N175-A179 PolarHBondContact O-N 3.09Å; L176-A179 WeakPolarHBondContact O-CB 3.1Å; L176-A179 PolarHBondContact O-N 3.35Å; A179-G181 VanDerWaalsContact C-N 3.29Å
180	L	92.5	Very high	94.5	Very high	61 Å²	61	44.2 Å²	44.2	32%	0.319	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-2.4	172.4	-70.8	171.9	0	0	0	114.2	M149 V153 L176 L177 K178 R182	M149-L180 HydrophobicContact CB-CD1 4.14Å; M149-L180 HydrophobicContact CB-CD2 3.74Å; M149-L180 HydrophobicContact CB-CG 4.22Å; M149-L180 HydrophobicContact CG-CD2 4.23Å; V153-L180 HydrophobicContact CG2-CD1 3.92Å; L176-L180 HydrophobicContact CG-CD1 4.5Å; L176-L180 WeakPolarHBondContact O-CG 3.28Å; L176-L180 PolarHBondContact O-N 3.03Å; L177-L180 CarbonylContact O-C 3.13Å; L177-L180 PolarHBondContact O-N 2.88Å; K178-L180 PolarHBondContact O-N 3.04Å; L180-R182 VanDerWaalsContact C-N 3.27Å; L180-R182 HydrophobicContact CB-CG 4.34Å; L180-R182 PolarHBondContact O-N 2.89Å
181	G	90.7	Very high	94.5	Very high	55 Å²	55	45.8 Å²	45.8	57%	0.567	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	5.9	-176.2	0	0	0	0	0	114.8	L177 K178 A179 L183	L177-G181 PolarHBondContact O-N 3.35Å; K178-G181 PolarHBondContact O-N 2.82Å; A179-G181 VanDerWaalsContact C-N 3.29Å; G181-L183 VanDerWaalsContact C-N 3.26Å; G181-L183 PolarHBondContact O-N 3.33Å
182	R	93.7	Very high	94.5	Very high	83 Å²	83	50.8 Å²	50.8	31%	0.313	28%	0.281	S	S	.	.			trans	-82.9	66.6	177.7	-62.3	178.9	-177.6	178.1	3.9	110.8	E150 L177 L180 D184 E185 A186	E150-R182 IonicContact OE1-CZ 4Å; E150-R182 IonicContact OE1-NH1 2.85Å; E150-R182 IonicContact OE1-NH2 3.8Å; E150-R182 PolarHBondContact OE1-NH2 3.19Å; E150-R182 IonicContact OE2-CZ 3.58Å; E150-R182 IonicContact OE2-NH1 3.21Å; E150-R182 PolarHBondContact OE2-NH1 3.22Å; E150-R182 IonicContact OE2-NH2 2.82Å; E150-R182 PolarHBondContact OE2-NH2 3.36Å; L177-R182 HydrophobicContact CB-CB 4.33Å; L177-R182 HydrophobicContact CD2-CB 4.2Å; L177-R182 PolarHBondContact O-N 3.3Å; L180-R182 VanDerWaalsContact C-N 3.27Å; L180-R182 HydrophobicContact CB-CG 4.34Å; L180-R182 PolarHBondContact O-N 2.89Å; R182-D184 PolarHBondContact O-N 2.69Å; R182-E185 HydrophobicContact CB-CB 4.33Å; R182-E185 WeakPolarHBondContact CD-OE1 3.48Å; R182-E185 PolarHBondContact O-N 3.18Å; R182-A186 WeakPolarHBondContact O-CB 3.32Å; R182-A186 PolarHBondContact O-N 2.88Å
183	L	92.8	Very high	94.6	Very high	43 Å²	43	47.4 Å²	47.4	23%	0.225	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-38.7	-169.9	-63.6	-176.9	0	0	0	113.9	K178 G181 A186 K187 V210 A213 Q214	K178-L183 HydrophobicContact CG-CD2 4.21Å; G181-L183 VanDerWaalsContact C-N 3.26Å; G181-L183 PolarHBondContact O-N 3.33Å; L183-A186 PolarHBondContact O-N 2.78Å; L183-K187 VanDerWaalsContact O-CB 3.3Å; L183-K187 WeakPolarHBondContact O-CB 3.34Å; L183-K187 PolarHBondContact O-N 2.77Å; L183-V210 HydrophobicContact CB-CG1 4.13Å; L183-V210 HydrophobicContact CD2-CG1 4.49Å; L183-A213 HydrophobicContact CD1-CB 4.1Å; L183-Q214 HydrophobicContact CD1-CG 4.15Å
184	D	93.4	Very high	94.5	Very high	109 Å²	109	47.6 Å²	47.6	58%	0.583	26%	0.264	S	S	*	.	H	α-helix	trans	-70.1	-35.6	-179	-65.8	-42.7	0	0	0	112.8	R182 S188 Q214	R182-D184 PolarHBondContact O-N 2.69Å; D184-S188 PolarHBondContact O-N 3.14Å; D184-S188 VanDerWaalsContact O-N 3.07Å; D184-S188 PolarHBondContact O-OG 3.46Å; D184-Q214 PolarHBondContact OD1-NE2 2.78Å; D184-Q214 VanDerWaalsContact OD1-NE2 3.09Å
185	E	94.4	Very high	94.5	Very high	97 Å²	97	54.5 Å²	54.5	45%	0.453	30%	0.296	S	S	.	.	H	α-helix	trans	-71.1	-41.9	173.8	-64	177.4	-121.5	0	0	110.8	L177 R182 K187 S188 C189	L177-E185 HydrophobicContact CD1-CB 3.86Å; L177-E185 HydrophobicContact CD2-CB 4.26Å; L177-E185 HydrophobicContact CG-CB 4.49Å; R182-E185 HydrophobicContact CB-CB 4.33Å; R182-E185 WeakPolarHBondContact CD-OE1 3.48Å; R182-E185 PolarHBondContact O-N 3.18Å; E185-K187 PolarHBondContact O-N 2.85Å; E185-S188 WeakPolarHBondContact O-CB 3.47Å; E185-S188 PolarHBondContact O-N 3.47Å; E185-C189 PolarHBondContact O-N 2.81Å; E185-C189 PolarHBondContact O-SG 2.84Å
186	A	96	Very high	94.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-58.9	-46.9	174.4	0	0	0	0	0	111.3	G174 L177 K178 R182 L183 S188 C189 Y190 V210	G174-A186 WeakPolarHBondContact O-CB 3.47Å; L177-A186 HydrophobicContact CB-CB 3.91Å; K178-A186 HydrophobicContact CB-CB 4.03Å; R182-A186 WeakPolarHBondContact O-CB 3.32Å; R182-A186 PolarHBondContact O-N 2.88Å; L183-A186 PolarHBondContact O-N 2.78Å; A186-S188 VanDerWaalsContact C-N 3.32Å; A186-S188 PolarHBondContact O-N 2.9Å; A186-C189 WeakPolarHBondContact O-CB 3.48Å; A186-C189 PolarHBondContact O-N 3.11Å; A186-C189 VanDerWaalsContact O-N 3.11Å; A186-Y190 HydrophobicContact CB-CE2 4.02Å; A186-Y190 WeakPolarHBondContact O-CD2 3.46Å; A186-Y190 PolarHBondContact O-N 3.17Å; A186-V210 HydrophobicContact CB-CG2 4.45Å
187	K	95.4	Very high	94.7	Very high	55 Å²	55	55 Å²	55	24%	0.239	30%	0.303	C	S	.	.	H	α-helix	trans	-54	-47.7	173.5	173.9	173	-179.3	177.1	0	111.9	L183 E185 C189 Y190 L191 L207 V210 F211	L183-K187 VanDerWaalsContact O-CB 3.3Å; L183-K187 WeakPolarHBondContact O-CB 3.34Å; L183-K187 PolarHBondContact O-N 2.77Å; E185-K187 PolarHBondContact O-N 2.85Å; K187-C189 VanDerWaalsContact C-N 3.3Å; K187-C189 PolarHBondContact O-N 3.42Å; K187-Y190 PolarHBondContact O-N 3.35Å; K187-L191 HydrophobicContact CG-CD1 4Å; K187-L191 WeakPolarHBondContact O-CB 3.4Å; K187-L191 WeakPolarHBondContact O-CG 3.48Å; K187-L191 PolarHBondContact O-N 3.32Å; K187-L207 HydrophobicContact CB-CD1 4.22Å; K187-L207 HydrophobicContact CG-CD1 3.81Å; K187-V210 HydrophobicContact CB-CG1 4.19Å; K187-F211 HydrophobicContact CD-CE1 4.47Å; K187-F211 HydrophobicContact CD-CZ 4.33Å
188	S	95.7	Very high	94.6	Very high	63 Å²	63	58.5 Å²	58.5	44%	0.441	33%	0.326	S	S	.	.	H	α-helix	trans	-62.4	-37.1	178.3	-61.2	0	0	0	0	112.3	D184 E185 A186 K192	D184-S188 PolarHBondContact O-N 3.14Å; D184-S188 VanDerWaalsContact O-N 3.07Å; D184-S188 PolarHBondContact O-OG 3.46Å; E185-S188 WeakPolarHBondContact O-CB 3.47Å; E185-S188 PolarHBondContact O-N 3.47Å; A186-S188 VanDerWaalsContact C-N 3.32Å; A186-S188 PolarHBondContact O-N 2.9Å; S188-K192 WeakPolarHBondContact O-CB 3.47Å; S188-K192 WeakPolarHBondContact O-CG 3.41Å; S188-K192 PolarHBondContact O-N 3.37Å
189	C	96.2	Very high	94.8	Very high	16 Å²	16	60 Å²	60	11%	0.108	34%	0.341	C	S	.	.	H	α-helix	trans	-66.3	-47.5	175.3	-67.9	0	0	0	0	111.8	R170 L177 E185 A186 K187 K192 A193	R170-C189 VanDerWaalsContact CD-O 3.3Å; R170-C189 WeakPolarHBondContact CD-O 3.27Å; R170-C189 HydrophobicContact CG-CB 4.06Å; R170-C189 WeakPolarHBondContact CG-O 3.35Å; L177-C189 VanDerWaalsContact CD1-SG 3.58Å; E185-C189 PolarHBondContact O-N 2.81Å; E185-C189 PolarHBondContact O-SG 2.84Å; A186-C189 WeakPolarHBondContact O-CB 3.48Å; A186-C189 PolarHBondContact O-N 3.11Å; A186-C189 VanDerWaalsContact O-N 3.11Å; K187-C189 VanDerWaalsContact C-N 3.3Å; K187-C189 PolarHBondContact O-N 3.42Å; C189-K192 PolarHBondContact O-N 3.14Å; C189-A193 WeakPolarHBondContact O-CB 3.4Å; C189-A193 PolarHBondContact O-N 3.39Å
190	Y	97.4	Very high	95	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-65.4	-41.7	179.7	-58.9	-50	0	0	0	112.7	S171 G174 N175 A186 K187 K192 A193 I194 N206 L207 V210	S171-Y190 WeakPolarHBondContact O-CE1 3.37Å; G174-Y190 VanDerWaalsContact C-CZ 3.43Å; G174-Y190 PolarHBondContact O-OH 3.12Å; N175-Y190 VanDerWaalsContact CA-OH 3.23Å; N175-Y190 WeakPolarHBondContact CA-OH 3.34Å; N175-Y190 PolarHBondContact N-OH 2.94Å; N175-Y190 VanDerWaalsContact N-OH 3.1Å; N175-Y190 WeakPolarHBondContact OD1-CE1 3.44Å; N175-Y190 PolarHBondContact OD1-OH 3.3Å; A186-Y190 HydrophobicContact CB-CE2 4.02Å; A186-Y190 WeakPolarHBondContact O-CD2 3.46Å; A186-Y190 PolarHBondContact O-N 3.17Å; K187-Y190 PolarHBondContact O-N 3.35Å; Y190-K192 PolarHBondContact O-N 2.9Å; Y190-A193 PolarHBondContact O-N 3.24Å; Y190-I194 VanDerWaalsContact O-CG1 3.3Å; Y190-I194 WeakPolarHBondContact O-CG1 3.44Å; Y190-I194 PolarHBondContact O-N 3.1Å; Y190-N206 HydrophobicContact CD1-CB 3.98Å; Y190-N206 HydrophobicContact CD2-CB 4.29Å; Y190-N206 HydrophobicContact CE1-CB 3.53Å; Y190-N206 HydrophobicContact CE2-CB 3.89Å; Y190-N206 HydrophobicContact CG-CB 4.34Å; Y190-N206 VanDerWaalsContact CZ-CB 3.48Å; Y190-L207 HydrophobicContact CD2-CB 4.36Å; Y190-L207 HydrophobicContact CD2-CD1 4.43Å; Y190-L207 HydrophobicContact CG-CB 4.45Å; Y190-V210 HydrophobicContact CD2-CG2 4.18Å; Y190-V210 HydrophobicContact CE2-CG2 3.77Å
191	L	96.6	Very high	95.2	Very high	68 Å²	68	55.4 Å²	55.4	36%	0.356	30%	0.304	S	S	.	.	H	α-helix	trans	-58.9	-48.6	176.2	-76.3	170.4	0	0	0	111.6	K187 A193 I194 E195 L207	K187-L191 HydrophobicContact CG-CD1 4Å; K187-L191 WeakPolarHBondContact O-CB 3.4Å; K187-L191 WeakPolarHBondContact O-CG 3.48Å; K187-L191 PolarHBondContact O-N 3.32Å; L191-A193 VanDerWaalsContact C-N 3.32Å; L191-A193 PolarHBondContact O-N 2.9Å; L191-I194 CarbonylContact O-C 3.53Å; L191-I194 WeakPolarHBondContact O-CB 3.23Å; L191-I194 PolarHBondContact O-N 3.26Å; L191-I194 VanDerWaalsContact O-N 3.15Å; L191-E195 WeakPolarHBondContact O-CG 3.27Å; L191-E195 PolarHBondContact O-N 3.42Å; L191-L207 HydrophobicContact CD2-CD2 3.68Å; L191-L207 HydrophobicContact CG-CD1 4.41Å; L191-L207 HydrophobicContact CG-CD2 4.1Å
192	K	95.5	Very high	95.4	Very high	106 Å²	106	55.5 Å²	55.5	46%	0.461	29%	0.293	S	S	.	.	H	α-helix	trans	-64.5	-34.5	176.5	-76.5	176.7	-177.1	179.6	0	112.7	R170 S188 C189 Y190 I194 E195 T196	R170-K192 VanDerWaalsContact CD-CB 3.44Å; S188-K192 WeakPolarHBondContact O-CB 3.47Å; S188-K192 WeakPolarHBondContact O-CG 3.41Å; S188-K192 PolarHBondContact O-N 3.37Å; C189-K192 PolarHBondContact O-N 3.14Å; Y190-K192 PolarHBondContact O-N 2.9Å; K192-I194 VanDerWaalsContact C-N 3.33Å; K192-E195 PolarHBondContact O-N 3.09Å; K192-T196 PolarHBondContact O-N 3.44Å; K192-T196 VanDerWaalsContact O-N 3.08Å; K192-T196 PolarHBondContact O-OG1 3.37Å; K192-T196 VanDerWaalsContact O-OG1 3.11Å
193	A	95.7	Very high	95.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.9	-38.5	173.7	0	0	0	0	0	111.8	R170 C189 Y190 L191 T196 C197 A203	R170-A193 HydrophobicContact CB-CB 4.41Å; R170-A193 HydrophobicContact CG-CB 4.36Å; C189-A193 WeakPolarHBondContact O-CB 3.4Å; C189-A193 PolarHBondContact O-N 3.39Å; Y190-A193 PolarHBondContact O-N 3.24Å; L191-A193 VanDerWaalsContact C-N 3.32Å; L191-A193 PolarHBondContact O-N 2.9Å; A193-T196 PolarHBondContact O-N 3.17Å; A193-C197 PolarHBondContact O-N 2.97Å; A193-A203 HydrophobicContact CB-CB 4.25Å
194	I	95.9	Very high	95.7	Very high	16 Å²	16	51.2 Å²	51.2	8%	0.082	27%	0.274	C	S	.	.	H	α-helix	trans	-67.9	-39.4	173.8	-67.8	163.8	0	0	0	111.1	Y190 L191 K192 T196 C197 P198 A203 W204 L207	Y190-I194 VanDerWaalsContact O-CG1 3.3Å; Y190-I194 WeakPolarHBondContact O-CG1 3.44Å; Y190-I194 PolarHBondContact O-N 3.1Å; L191-I194 CarbonylContact O-C 3.53Å; L191-I194 WeakPolarHBondContact O-CB 3.23Å; L191-I194 PolarHBondContact O-N 3.26Å; L191-I194 VanDerWaalsContact O-N 3.15Å; K192-I194 VanDerWaalsContact C-N 3.33Å; I194-T196 VanDerWaalsContact C-N 3.32Å; I194-T196 PolarHBondContact O-N 3.01Å; I194-C197 CarbonylContact O-C 3.36Å; I194-C197 PolarHBondContact O-N 3.21Å; I194-P198 WeakPolarHBondContact O-CA 3.36Å; I194-P198 VanDerWaalsContact O-CD 3.32Å; I194-P198 WeakPolarHBondContact O-CD 3.2Å; I194-P198 WeakPolarHBondContact O-CG 3.2Å; I194-A203 HydrophobicContact CD1-CB 4.27Å; I194-A203 HydrophobicContact CG1-CB 3.75Å; I194-W204 HydrophobicContact CD1-CD2 3.75Å; I194-W204 HydrophobicContact CD1-CE3 4.13Å; I194-W204 HydrophobicContact CD1-CG 3.96Å; I194-W204 HydrophobicContact CD1-CZ2 4.47Å; I194-W204 HydrophobicContact CG1-CD2 4.31Å; I194-W204 HydrophobicContact CG1-CG 4.31Å; I194-W204 HydrophobicContact CG2-CD2 4.48Å; I194-W204 HydrophobicContact CG2-CH2 4.15Å; I194-W204 HydrophobicContact CG2-CZ2 3.39Å; I194-L207 HydrophobicContact CD1-CD2 3.87Å
195	E	95.8	Very high	95.9	Very high	145 Å²	145	46.2 Å²	46.2	68%	0.678	25%	0.248	S	C	*	.	H	α-helix	trans	-59.5	-43	174.8	-74.2	171.7	-179.2	0	0	111.6	L191 K192	L191-E195 WeakPolarHBondContact O-CG 3.27Å; L191-E195 PolarHBondContact O-N 3.42Å; K192-E195 PolarHBondContact O-N 3.09Å
196	T	94.7	Very high	96	Very high	56 Å²	56	42.8 Å²	42.8	34%	0.344	23%	0.232	S	C	.	.	H	α-helix	trans	-69.9	-41.2	176	-53.9	0	0	0	0	112.3	D165 Y167 K192 A193 I194	D165-T196 HydrophobicContact CB-CG2 4.3Å; Y167-T196 HydrophobicContact CD1-CG2 4.23Å; K192-T196 PolarHBondContact O-N 3.44Å; K192-T196 VanDerWaalsContact O-N 3.08Å; K192-T196 PolarHBondContact O-OG1 3.37Å; K192-T196 VanDerWaalsContact O-OG1 3.11Å; A193-T196 PolarHBondContact O-N 3.17Å; I194-T196 VanDerWaalsContact C-N 3.32Å; I194-T196 PolarHBondContact O-N 3.01Å
197	C	96.2	Very high	96	Very high	21 Å²	21	42.8 Å²	42.8	14%	0.142	23%	0.232	C	C	.	.			trans	-137.9	88.6	-179.4	-171.7	0	0	0	0	111.2	Y167 A193 I194 T199 F200	Y167-C197 HydrophobicContact CD1-CB 3.86Å; Y167-C197 HydrophobicContact CD2-CB 3.83Å; Y167-C197 HydrophobicContact CE1-CB 4.11Å; Y167-C197 HydrophobicContact CE2-CB 4.07Å; Y167-C197 HydrophobicContact CG-CB 3.73Å; A193-C197 PolarHBondContact O-N 2.97Å; I194-C197 CarbonylContact O-C 3.36Å; I194-C197 PolarHBondContact O-N 3.21Å; C197-T199 PolarHBondContact O-N 2.88Å; C197-T199 VanDerWaalsContact O-N 3.07Å; C197-F200 HydrophobicContact CB-CB 4.09Å; C197-F200 VanDerWaalsContact O-CB 3.28Å; C197-F200 WeakPolarHBondContact O-CB 3.44Å; C197-F200 PolarHBondContact O-N 2.75Å
198	P	95.9	Very high	96.1	Very high	77 Å²	77	40.1 Å²	40.1	50%	0.5	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-20.5	-175.4	-27.5	35.4	0	0	0	114.9	I194 F200 W204 L230	I194-P198 WeakPolarHBondContact O-CA 3.36Å; I194-P198 VanDerWaalsContact O-CD 3.32Å; I194-P198 WeakPolarHBondContact O-CD 3.2Å; I194-P198 WeakPolarHBondContact O-CG 3.2Å; P198-F200 VanDerWaalsContact C-N 3.35Å; P198-W204 PolarHBondContact O-NE1 3.2Å; P198-L230 WeakPolarHBondContact O-CD1 3.35Å
199	T	95.6	Very high	96.1	Very high	102 Å²	102	38.2 Å²	38.2	63%	0.626	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-0.1	178.7	52.4	0	0	0	0	113.6	C197 A201 L230	C197-T199 PolarHBondContact O-N 2.88Å; C197-T199 VanDerWaalsContact O-N 3.07Å; T199-A201 PolarHBondContact O-N 2.84Å; T199-L230 HydrophobicContact CG2-CD2 4.37Å
200	F	96	Very high	96.1	Very high	41 Å²	41	37.4 Å²	37.4	18%	0.18	20%	0.202	C	C	.	.			trans	-77.4	86.7	-178.9	-174.2	-129.9	0	0	0	112.1	Y167 C197 P198 V202 A203	Y167-F200 HydrophobicContact CD2-CB 4.23Å; Y167-F200 AromaticContact CD2-CD1 3.83Å; Y167-F200 HydrophobicContact CD2-CD1 3.83Å; Y167-F200 HydrophobicContact CD2-CD2 4.19Å; Y167-F200 HydrophobicContact CD2-CE1 4.21Å; Y167-F200 AromaticContact CD2-CG 3.83Å; Y167-F200 HydrophobicContact CD2-CG 3.83Å; Y167-F200 HydrophobicContact CE2-CB 4.29Å; Y167-F200 HydrophobicContact CE2-CD1 4.32Å; Y167-F200 AromaticContact CE2-CD2 3.84Å; Y167-F200 HydrophobicContact CE2-CD2 3.84Å; Y167-F200 HydrophobicContact CE2-CE2 4.22Å; Y167-F200 AromaticContact CE2-CG 3.9Å; Y167-F200 HydrophobicContact CE2-CG 3.9Å; C197-F200 HydrophobicContact CB-CB 4.09Å; C197-F200 VanDerWaalsContact O-CB 3.28Å; C197-F200 WeakPolarHBondContact O-CB 3.44Å; C197-F200 PolarHBondContact O-N 2.75Å; P198-F200 VanDerWaalsContact C-N 3.35Å; F200-V202 VanDerWaalsContact C-N 3.26Å; F200-V202 HydrophobicContact CD2-CB 4.5Å; F200-V202 HydrophobicContact CE1-CB 4.12Å; F200-V202 HydrophobicContact CE2-CB 3.9Å; F200-V202 HydrophobicContact CE2-CG2 4.08Å; F200-V202 HydrophobicContact CZ-CB 3.69Å; F200-V202 HydrophobicContact CZ-CG1 4.2Å; F200-V202 HydrophobicContact CZ-CG2 4.29Å; F200-V202 PolarHBondContact O-N 3.35Å; F200-V202 VanDerWaalsContact O-N 3.16Å; F200-A203 HydrophobicContact CD1-CB 3.5Å; F200-A203 HydrophobicContact CE1-CB 3.9Å; F200-A203 HydrophobicContact CG-CB 4.5Å; F200-A203 PolarHBondContact O-N 3.3Å
201	A	95.6	Very high	96	Very high	10 Å²	10	38 Å²	38	8%	0.083	21%	0.205	C	C	.	.	H	α-helix	trans	-54.8	-34.5	-173.7	0	0	0	0	0	114.5	T199 A203 W204 S205 L230 D231 F234	T199-A201 PolarHBondContact O-N 2.84Å; A201-A203 PolarHBondContact O-N 2.69Å; A201-W204 WeakPolarHBondContact O-CB 3.39Å; A201-W204 PolarHBondContact O-N 3.31Å; A201-S205 PolarHBondContact O-N 2.68Å; A201-L230 HydrophobicContact CB-CB 3.91Å; A201-D231 HydrophobicContact CB-CB 3.77Å; A201-F234 HydrophobicContact CB-CD1 4.14Å; A201-F234 HydrophobicContact CB-CE1 4.41Å
202	V	95.3	Very high	95.9	Very high	57 Å²	57	37.1 Å²	37.1	35%	0.345	20%	0.2	S	C	.	.	H	α-helix	trans	-59.7	-43.6	-179.5	177.7	0	0	0	0	111.7	F200 W204 S205 N206 F234	F200-V202 VanDerWaalsContact C-N 3.26Å; F200-V202 HydrophobicContact CD2-CB 4.5Å; F200-V202 HydrophobicContact CE1-CB 4.12Å; F200-V202 HydrophobicContact CE2-CB 3.9Å; F200-V202 HydrophobicContact CE2-CG2 4.08Å; F200-V202 HydrophobicContact CZ-CB 3.69Å; F200-V202 HydrophobicContact CZ-CG1 4.2Å; F200-V202 HydrophobicContact CZ-CG2 4.29Å; F200-V202 PolarHBondContact O-N 3.35Å; F200-V202 VanDerWaalsContact O-N 3.16Å; V202-W204 VanDerWaalsContact C-N 3.34Å; V202-W204 PolarHBondContact O-N 3.38Å; V202-S205 PolarHBondContact O-N 3.04Å; V202-N206 WeakPolarHBondContact O-CB 3.38Å; V202-N206 PolarHBondContact O-N 3.43Å; V202-N206 PolarHBondContact O-ND2 2.8Å; V202-F234 HydrophobicContact CG2-CE1 4.43Å; V202-F234 HydrophobicContact CG2-CZ 4.26Å
203	A	95.3	Very high	95.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.7	-37	178.5	0	0	0	0	0	112.2	A193 I194 F200 A201 L207	A193-A203 HydrophobicContact CB-CB 4.25Å; I194-A203 HydrophobicContact CD1-CB 4.27Å; I194-A203 HydrophobicContact CG1-CB 3.75Å; F200-A203 HydrophobicContact CD1-CB 3.5Å; F200-A203 HydrophobicContact CE1-CB 3.9Å; F200-A203 HydrophobicContact CG-CB 4.5Å; F200-A203 PolarHBondContact O-N 3.3Å; A201-A203 PolarHBondContact O-N 2.69Å; A203-L207 WeakPolarHBondContact O-CB 3.45Å; A203-L207 PolarHBondContact O-N 3.12Å
204	W	97.9	Very high	95.4	Very high	37 Å²	37	38.1 Å²	38.1	14%	0.14	22%	0.218	C	C	.	.	H	α-helix	trans	-62.3	-46.6	174.2	-72.5	96.4	0	0	0	112	I194 P198 A201 V202 L207 G208 H223 K226 A227 L230	I194-W204 HydrophobicContact CD1-CD2 3.75Å; I194-W204 HydrophobicContact CD1-CE3 4.13Å; I194-W204 HydrophobicContact CD1-CG 3.96Å; I194-W204 HydrophobicContact CD1-CZ2 4.47Å; I194-W204 HydrophobicContact CG1-CD2 4.31Å; I194-W204 HydrophobicContact CG1-CG 4.31Å; I194-W204 HydrophobicContact CG2-CD2 4.48Å; I194-W204 HydrophobicContact CG2-CH2 4.15Å; I194-W204 HydrophobicContact CG2-CZ2 3.39Å; P198-W204 PolarHBondContact O-NE1 3.2Å; A201-W204 WeakPolarHBondContact O-CB 3.39Å; A201-W204 PolarHBondContact O-N 3.31Å; V202-W204 VanDerWaalsContact C-N 3.34Å; V202-W204 PolarHBondContact O-N 3.38Å; W204-L207 PolarHBondContact O-N 2.77Å; W204-G208 PolarHBondContact O-N 2.97Å; W204-H223 HydrophobicContact CE3-CB 4.36Å; W204-H223 AromaticContact CE3-ND1 3.72Å; W204-H223 AromaticContact CZ3-CE1 3.83Å; W204-H223 AromaticContact CZ3-ND1 3.57Å; W204-K226 HydrophobicContact CD2-CB 4.04Å; W204-K226 HydrophobicContact CD2-CG 3.54Å; W204-K226 HydrophobicContact CE3-CB 3.78Å; W204-K226 HydrophobicContact CE3-CG 3.62Å; W204-K226 HydrophobicContact CG-CB 4.5Å; W204-K226 HydrophobicContact CG-CG 4.13Å; W204-K226 HydrophobicContact CH2-CG 3.99Å; W204-K226 HydrophobicContact CZ2-CG 3.91Å; W204-K226 HydrophobicContact CZ3-CB 4.18Å; W204-K226 HydrophobicContact CZ3-CG 3.84Å; W204-A227 HydrophobicContact CB-CB 3.91Å; W204-L230 VanDerWaalsContact CD1-CD1 3.41Å; W204-L230 HydrophobicContact CG-CD1 4.21Å
205	S	97.3	Very high	95.1	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-63.1	-45.4	178	-176.8	0	0	0	0	111.9	A201 V202 L207 G208 C209 F224 F234	A201-S205 PolarHBondContact O-N 2.68Å; V202-S205 PolarHBondContact O-N 3.04Å; S205-L207 VanDerWaalsContact C-N 3.34Å; S205-L207 PolarHBondContact O-N 3.46Å; S205-G208 PolarHBondContact O-N 3.4Å; S205-C209 PolarHBondContact O-N 3.25Å; S205-C209 PolarHBondContact O-SG 2.89Å; S205-C209 VanDerWaalsContact O-SG 3.32Å; S205-F224 WeakPolarHBondContact O-CE1 3.25Å; S205-F234 VanDerWaalsContact CB-CE1 3.42Å
206	N	96.4	Very high	95	Very high	25 Å²	25	40.6 Å²	40.6	13%	0.134	23%	0.232	C	C	.	.	H	α-helix	trans	-64.2	-39	178	-73.9	-26.1	0	0	0	112.5	N175 Y190 V202 G208 C209 V210	N175-N206 PolarHBondContact OD1-ND2 3.27Å; Y190-N206 HydrophobicContact CD1-CB 3.98Å; Y190-N206 HydrophobicContact CD2-CB 4.29Å; Y190-N206 HydrophobicContact CE1-CB 3.53Å; Y190-N206 HydrophobicContact CE2-CB 3.89Å; Y190-N206 HydrophobicContact CG-CB 4.34Å; Y190-N206 VanDerWaalsContact CZ-CB 3.48Å; V202-N206 WeakPolarHBondContact O-CB 3.38Å; V202-N206 PolarHBondContact O-N 3.43Å; V202-N206 PolarHBondContact O-ND2 2.8Å; N206-G208 VanDerWaalsContact C-N 3.35Å; N206-C209 WeakPolarHBondContact O-CB 3.17Å; N206-C209 PolarHBondContact O-N 3.16Å; N206-V210 PolarHBondContact O-N 2.7Å; N206-V210 VanDerWaalsContact O-N 3.12Å
207	L	96.8	Very high	94.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.9	-40.7	173.7	-175	62	0	0	0	111.4	K187 Y190 L191 I194 A203 W204 S205 C209 V210 F211 H223	K187-L207 HydrophobicContact CB-CD1 4.22Å; K187-L207 HydrophobicContact CG-CD1 3.81Å; Y190-L207 HydrophobicContact CD2-CB 4.36Å; Y190-L207 HydrophobicContact CD2-CD1 4.43Å; Y190-L207 HydrophobicContact CG-CB 4.45Å; L191-L207 HydrophobicContact CD2-CD2 3.68Å; L191-L207 HydrophobicContact CG-CD1 4.41Å; L191-L207 HydrophobicContact CG-CD2 4.1Å; I194-L207 HydrophobicContact CD1-CD2 3.87Å; A203-L207 WeakPolarHBondContact O-CB 3.45Å; A203-L207 PolarHBondContact O-N 3.12Å; W204-L207 PolarHBondContact O-N 2.77Å; S205-L207 VanDerWaalsContact C-N 3.34Å; S205-L207 PolarHBondContact O-N 3.46Å; L207-C209 VanDerWaalsContact C-N 3.29Å; L207-C209 PolarHBondContact O-N 3.25Å; L207-V210 WeakPolarHBondContact O-CB 3.31Å; L207-V210 PolarHBondContact O-N 3.08Å; L207-V210 VanDerWaalsContact O-N 3.1Å; L207-F211 HydrophobicContact CD1-CD2 4.2Å; L207-F211 HydrophobicContact CD1-CE2 3.74Å; L207-F211 HydrophobicContact CD2-CE2 4.11Å; L207-F211 HydrophobicContact CG-CD2 3.98Å; L207-F211 HydrophobicContact CG-CE2 3.65Å; L207-F211 VanDerWaalsContact O-CD2 3.28Å; L207-F211 WeakPolarHBondContact O-CD2 3.43Å; L207-F211 PolarHBondContact O-N 2.83Å; L207-H223 WeakPolarHBondContact CD2-NE2 3.19Å
208	G	96.8	Very high	94.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-57.3	-40.2	171.4	0	0	0	0	0	112.8	W204 S205 N206 V210 F211 N212 A220	W204-G208 PolarHBondContact O-N 2.97Å; S205-G208 PolarHBondContact O-N 3.4Å; N206-G208 VanDerWaalsContact C-N 3.35Å; G208-V210 VanDerWaalsContact C-N 3.33Å; G208-V210 PolarHBondContact O-N 2.7Å; G208-F211 PolarHBondContact O-N 3.39Å; G208-N212 WeakPolarHBondContact O-CB 3.33Å; G208-N212 PolarHBondContact O-N 3.33Å; G208-A220 WeakPolarHBondContact O-CB 3.38Å
209	C	95.8	Very high	94.7	Very high	22 Å²	22	47 Å²	47	15%	0.149	25%	0.245	C	C	.	.	H	α-helix	trans	-63.8	-37.1	174.6	-62.2	0	0	0	0	112.7	K178 S205 N206 L207 N212 A213 F224	K178-C209 VanDerWaalsContact NZ-CB 3.33Å; S205-C209 PolarHBondContact O-N 3.25Å; S205-C209 PolarHBondContact O-SG 2.89Å; S205-C209 VanDerWaalsContact O-SG 3.32Å; N206-C209 WeakPolarHBondContact O-CB 3.17Å; N206-C209 PolarHBondContact O-N 3.16Å; L207-C209 VanDerWaalsContact C-N 3.29Å; L207-C209 PolarHBondContact O-N 3.25Å; C209-N212 PolarHBondContact O-N 3.05Å; C209-A213 PolarHBondContact O-N 3.38Å; C209-F224 HydrophobicContact CB-CZ 4.4Å
210	V	95.6	Very high	94.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66.7	-46.7	176.8	174.2	0	0	0	0	110.5	K178 L183 A186 K187 Y190 N206 L207 G208 N212 A213 Q214	K178-V210 HydrophobicContact CD-CG2 4.32Å; K178-V210 HydrophobicContact CG-CG2 4.48Å; L183-V210 HydrophobicContact CB-CG1 4.13Å; L183-V210 HydrophobicContact CD2-CG1 4.49Å; A186-V210 HydrophobicContact CB-CG2 4.45Å; K187-V210 HydrophobicContact CB-CG1 4.19Å; Y190-V210 HydrophobicContact CD2-CG2 4.18Å; Y190-V210 HydrophobicContact CE2-CG2 3.77Å; N206-V210 PolarHBondContact O-N 2.7Å; N206-V210 VanDerWaalsContact O-N 3.12Å; L207-V210 WeakPolarHBondContact O-CB 3.31Å; L207-V210 PolarHBondContact O-N 3.08Å; L207-V210 VanDerWaalsContact O-N 3.1Å; G208-V210 VanDerWaalsContact C-N 3.33Å; G208-V210 PolarHBondContact O-N 2.7Å; V210-N212 VanDerWaalsContact C-N 3.27Å; V210-N212 PolarHBondContact O-N 2.83Å; V210-A213 PolarHBondContact O-N 3.34Å; V210-A213 VanDerWaalsContact O-N 3.15Å; V210-Q214 WeakPolarHBondContact O-CG 3.49Å; V210-Q214 PolarHBondContact O-N 3.28Å
211	F	95.5	Very high	94.9	Very high	13 Å²	13	40.4 Å²	40.4	6%	0.057	21%	0.207	C	C	.	.	H	α-helix	trans	-61	-38.1	175.5	-78	-65.3	0	0	0	112.2	K187 L207 G208 Q214 N215 E216 L219 A220 H223	K187-F211 HydrophobicContact CD-CE1 4.47Å; K187-F211 HydrophobicContact CD-CZ 4.33Å; L207-F211 HydrophobicContact CD1-CD2 4.2Å; L207-F211 HydrophobicContact CD1-CE2 3.74Å; L207-F211 HydrophobicContact CD2-CE2 4.11Å; L207-F211 HydrophobicContact CG-CD2 3.98Å; L207-F211 HydrophobicContact CG-CE2 3.65Å; L207-F211 VanDerWaalsContact O-CD2 3.28Å; L207-F211 WeakPolarHBondContact O-CD2 3.43Å; L207-F211 PolarHBondContact O-N 2.83Å; G208-F211 PolarHBondContact O-N 3.39Å; F211-Q214 CarbonylContact O-C 3.56Å; F211-Q214 PolarHBondContact O-N 2.81Å; F211-Q214 VanDerWaalsContact O-N 3.15Å; F211-N215 PolarHBondContact O-N 3.24Å; F211-E216 HydrophobicContact CB-CB 4.06Å; F211-E216 HydrophobicContact CD1-CB 3.79Å; F211-E216 HydrophobicContact CD1-CG 4.16Å; F211-E216 HydrophobicContact CG-CB 4.38Å; F211-E216 WeakPolarHBondContact O-CB 3.41Å; F211-E216 PolarHBondContact O-N 2.86Å; F211-L219 HydrophobicContact CB-CB 4.14Å; F211-L219 HydrophobicContact CD1-CB 3.84Å; F211-L219 HydrophobicContact CD1-CD1 3.79Å; F211-L219 HydrophobicContact CD1-CG 4.47Å; F211-L219 HydrophobicContact CD2-CB 4.18Å; F211-L219 HydrophobicContact CE1-CB 4.22Å; F211-L219 HydrophobicContact CE1-CD1 3.56Å; F211-L219 HydrophobicContact CE1-CG 4.47Å; F211-L219 HydrophobicContact CG-CB 3.8Å; F211-L219 HydrophobicContact CZ-CD1 4.18Å; F211-A220 HydrophobicContact CB-CB 4.08Å; F211-H223 AromaticContact CD2-CD2 3.41Å; F211-H223 VanDerWaalsContact CD2-CD2 3.41Å; F211-H223 WeakPolarHBondContact CD2-CD2 3.36Å; F211-H223 AromaticContact CD2-NE2 3.8Å; F211-H223 AromaticContact CE2-CD2 3.35Å; F211-H223 WeakPolarHBondContact CE2-CD2 3.41Å; F211-H223 AromaticContact CE2-NE2 3.23Å; F211-H223 WeakPolarHBondContact CE2-NE2 3.42Å
212	N	93.9	Very high	94.9	Very high	49 Å²	49	44.6 Å²	44.6	26%	0.262	23%	0.225	S	C	.	.	H	α-helix	trans	-62.4	-44.8	174.6	-163.1	50.1	0	0	0	111.9	G208 C209 V210 Q214 N215 A220 V244	G208-N212 WeakPolarHBondContact O-CB 3.33Å; G208-N212 PolarHBondContact O-N 3.33Å; C209-N212 PolarHBondContact O-N 3.05Å; V210-N212 VanDerWaalsContact C-N 3.27Å; V210-N212 PolarHBondContact O-N 2.83Å; N212-Q214 PolarHBondContact O-N 3.39Å; N212-N215 WeakPolarHBondContact O-CA 3.48Å; N212-N215 PolarHBondContact O-N 2.9Å; N212-A220 HydrophobicContact CB-CB 3.93Å; N212-V244 HydrophobicContact CB-CG2 4.21Å; N212-V244 VanDerWaalsContact CG-CG2 3.5Å; N212-V244 VanDerWaalsContact OD1-CG2 3.29Å; N212-V244 WeakPolarHBondContact OD1-CG2 3.37Å
213	A	90.7	Very high	95	Very high	66 Å²	66	42.7 Å²	42.7	55%	0.545	21%	0.212	S	C	.	.	H	α-helix	trans	-63.7	-25.7	175.6	0	0	0	0	0	113.2	L183 C209 V210 N215	L183-A213 HydrophobicContact CD1-CB 4.1Å; C209-A213 PolarHBondContact O-N 3.38Å; V210-A213 PolarHBondContact O-N 3.34Å; V210-A213 VanDerWaalsContact O-N 3.15Å; A213-N215 VanDerWaalsContact C-N 3.3Å
214	Q	91.3	Very high	95.2	Very high	61 Å²	61	42.8 Å²	42.8	29%	0.285	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	5	173	-67.4	-178.4	-38.8	0	0	113.2	L183 D184 V210 F211 N212 E216	L183-Q214 HydrophobicContact CD1-CG 4.15Å; D184-Q214 PolarHBondContact OD1-NE2 2.78Å; D184-Q214 VanDerWaalsContact OD1-NE2 3.09Å; V210-Q214 WeakPolarHBondContact O-CG 3.49Å; V210-Q214 PolarHBondContact O-N 3.28Å; F211-Q214 CarbonylContact O-C 3.56Å; F211-Q214 PolarHBondContact O-N 2.81Å; F211-Q214 VanDerWaalsContact O-N 3.15Å; N212-Q214 PolarHBondContact O-N 3.39Å; Q214-E216 HydrophobicContact CB-CG 4.31Å; Q214-E216 PolarHBondContact O-N 2.73Å
215	N	89.5	Confident	95.1	Very high	112 Å²	112	44.4 Å²	44.4	60%	0.599	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	23.8	-176.1	-162.4	41	0	0	0	114.4	F211 N212 A213 I217	F211-N215 PolarHBondContact O-N 3.24Å; N212-N215 WeakPolarHBondContact O-CA 3.48Å; N212-N215 PolarHBondContact O-N 2.9Å; A213-N215 VanDerWaalsContact C-N 3.3Å; N215-I217 VanDerWaalsContact C-N 3.32Å; N215-I217 PolarHBondContact O-N 2.82Å
216	E	93.3	Very high	95.2	Very high	100 Å²	100	48.1 Å²	48.1	47%	0.467	24%	0.238	S	C	.	.			trans	-90.5	66	176.2	-70.7	-77.4	-171.2	0	0	109.9	F211 Q214 W218 L219 A220	F211-E216 HydrophobicContact CB-CB 4.06Å; F211-E216 HydrophobicContact CD1-CB 3.79Å; F211-E216 HydrophobicContact CD1-CG 4.16Å; F211-E216 HydrophobicContact CG-CB 4.38Å; F211-E216 WeakPolarHBondContact O-CB 3.41Å; F211-E216 PolarHBondContact O-N 2.86Å; Q214-E216 HydrophobicContact CB-CG 4.31Å; Q214-E216 PolarHBondContact O-N 2.73Å; E216-W218 VanDerWaalsContact C-N 3.34Å; E216-W218 PolarHBondContact O-N 3.09Å; E216-L219 HydrophobicContact CB-CB 4.27Å; E216-L219 HydrophobicContact CB-CD1 4.21Å; E216-L219 HydrophobicContact CG-CD1 4.47Å; E216-L219 PolarHBondContact O-N 2.87Å; E216-L219 VanDerWaalsContact O-N 3.15Å; E216-A220 PolarHBondContact O-N 2.91Å
217	I	92.2	Very high	95.2	Very high	38 Å²	38	46.9 Å²	46.9	20%	0.195	23%	0.231	C	C	.	.	H	α-helix	trans	-53.5	-45.4	-168.1	-64.9	172.1	0	0	0	112.7	N215 A220 I221 V244 A248	N215-I217 VanDerWaalsContact C-N 3.32Å; N215-I217 PolarHBondContact O-N 2.82Å; I217-A220 WeakPolarHBondContact O-CB 3.24Å; I217-A220 PolarHBondContact O-N 3.3Å; I217-I221 HydrophobicContact CG2-CD1 4.01Å; I217-I221 WeakPolarHBondContact O-CG1 3.18Å; I217-I221 PolarHBondContact O-N 2.87Å; I217-V244 HydrophobicContact CG2-CG1 3.8Å; I217-A248 HydrophobicContact CG2-CB 3.85Å
218	W	94.2	Very high	95.2	Very high	183 Å²	183	47.5 Å²	47.5	69%	0.693	24%	0.235	S	C	*	.	H	α-helix	trans	-68.9	-36.5	-177.1	-64.3	109.7	0	0	0	113	E216 I221 H222 I250	E216-W218 VanDerWaalsContact C-N 3.34Å; E216-W218 PolarHBondContact O-N 3.09Å; W218-I221 HydrophobicContact CE3-CD1 4.09Å; W218-I221 HydrophobicContact CZ3-CD1 4.33Å; W218-H222 WeakPolarHBondContact O-CB 3.39Å; W218-H222 PolarHBondContact O-N 3.2Å; W218-I250 HydrophobicContact CH2-CD1 3.76Å; W218-I250 HydrophobicContact CZ3-CD1 3.78Å
219	L	95	Very high	95.2	Very high	68 Å²	68	52.2 Å²	52.2	36%	0.356	26%	0.264	S	S	.	.	H	α-helix	trans	-70	-38.7	175.2	-70.2	173	0	0	0	110.9	F211 E216 H222 H223	F211-L219 HydrophobicContact CB-CB 4.14Å; F211-L219 HydrophobicContact CD1-CB 3.84Å; F211-L219 HydrophobicContact CD1-CD1 3.79Å; F211-L219 HydrophobicContact CD1-CG 4.47Å; F211-L219 HydrophobicContact CD2-CB 4.18Å; F211-L219 HydrophobicContact CE1-CB 4.22Å; F211-L219 HydrophobicContact CE1-CD1 3.56Å; F211-L219 HydrophobicContact CE1-CG 4.47Å; F211-L219 HydrophobicContact CG-CB 3.8Å; F211-L219 HydrophobicContact CZ-CD1 4.18Å; E216-L219 HydrophobicContact CB-CB 4.27Å; E216-L219 HydrophobicContact CB-CD1 4.21Å; E216-L219 HydrophobicContact CG-CD1 4.47Å; E216-L219 PolarHBondContact O-N 2.87Å; E216-L219 VanDerWaalsContact O-N 3.15Å; L219-H222 PolarHBondContact O-N 3.38Å; L219-H223 PolarHBondContact O-N 3.31Å
220	A	97.3	Very high	95.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59	-49.4	173.4	0	0	0	0	0	111.5	G208 F211 N212 E216 I217 H222 H223 F224 V244	G208-A220 WeakPolarHBondContact O-CB 3.38Å; F211-A220 HydrophobicContact CB-CB 4.08Å; N212-A220 HydrophobicContact CB-CB 3.93Å; E216-A220 PolarHBondContact O-N 2.91Å; I217-A220 WeakPolarHBondContact O-CB 3.24Å; I217-A220 PolarHBondContact O-N 3.3Å; A220-H222 PolarHBondContact O-N 2.89Å; A220-H223 PolarHBondContact O-N 3.34Å; A220-F224 HydrophobicContact CB-CD2 4.48Å; A220-F224 HydrophobicContact CB-CE2 4.23Å; A220-F224 WeakPolarHBondContact O-CD2 3.27Å; A220-F224 WeakPolarHBondContact O-CG 3.3Å; A220-F224 PolarHBondContact O-N 3.23Å; A220-V244 HydrophobicContact CB-CG1 4.13Å; A220-V244 HydrophobicContact CB-CG2 4.45Å
221	I	97	Very high	95.3	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.021	28%	0.284	C	S	.	.	H	α-helix	trans	-55.6	-52	175.6	-68	165.5	0	0	0	110.4	I217 W218 H223 F224 E225 L241 V244 L245 A248 I250	I217-I221 HydrophobicContact CG2-CD1 4.01Å; I217-I221 WeakPolarHBondContact O-CG1 3.18Å; I217-I221 PolarHBondContact O-N 2.87Å; W218-I221 HydrophobicContact CE3-CD1 4.09Å; W218-I221 HydrophobicContact CZ3-CD1 4.33Å; I221-H223 VanDerWaalsContact C-N 3.29Å; I221-H223 PolarHBondContact O-N 3Å; I221-F224 PolarHBondContact O-N 3.27Å; I221-E225 HydrophobicContact CG2-CG 4.28Å; I221-E225 WeakPolarHBondContact O-CB 3.48Å; I221-E225 WeakPolarHBondContact O-CG 3.18Å; I221-E225 PolarHBondContact O-N 3.5Å; I221-L241 HydrophobicContact CG2-CD1 4.11Å; I221-V244 HydrophobicContact CD1-CG1 4.22Å; I221-V244 HydrophobicContact CG1-CB 4.37Å; I221-V244 HydrophobicContact CG1-CG1 3.62Å; I221-L245 HydrophobicContact CD1-CD2 3.89Å; I221-L245 HydrophobicContact CG1-CD2 4.16Å; I221-L245 HydrophobicContact CG1-CG 4.48Å; I221-L245 HydrophobicContact CG2-CD2 4.22Å; I221-A248 HydrophobicContact CD1-CB 4.34Å; I221-I250 HydrophobicContact CD1-CD1 4.49Å
222	H	96.7	Very high	95.3	Very high	98 Å²	98	59.9 Å²	59.9	45%	0.454	31%	0.308	S	S	.	.	H	α-helix	trans	-55.5	-43.5	-177.9	172.8	59.6	0	0	0	112.5	W218 L219 A220 K226	W218-H222 WeakPolarHBondContact O-CB 3.39Å; W218-H222 PolarHBondContact O-N 3.2Å; L219-H222 PolarHBondContact O-N 3.38Å; A220-H222 PolarHBondContact O-N 2.89Å; H222-K226 PolarHBondContact O-N 3.02Å
223	H	97.5	Very high	95.4	Very high	17 Å²	17	62.2 Å²	62.2	8%	0.079	32%	0.324	C	S	.	.	H	α-helix	trans	-76.2	-35	-178.5	-69.3	-10.3	0	0	0	113.7	W204 L207 F211 L219 A220 I221 E225 K226 A227	W204-H223 HydrophobicContact CE3-CB 4.36Å; W204-H223 AromaticContact CE3-ND1 3.72Å; W204-H223 AromaticContact CZ3-CE1 3.83Å; W204-H223 AromaticContact CZ3-ND1 3.57Å; L207-H223 WeakPolarHBondContact CD2-NE2 3.19Å; F211-H223 AromaticContact CD2-CD2 3.41Å; F211-H223 VanDerWaalsContact CD2-CD2 3.41Å; F211-H223 WeakPolarHBondContact CD2-CD2 3.36Å; F211-H223 AromaticContact CD2-NE2 3.8Å; F211-H223 AromaticContact CE2-CD2 3.35Å; F211-H223 WeakPolarHBondContact CE2-CD2 3.41Å; F211-H223 AromaticContact CE2-NE2 3.23Å; F211-H223 WeakPolarHBondContact CE2-NE2 3.42Å; L219-H223 PolarHBondContact O-N 3.31Å; A220-H223 PolarHBondContact O-N 3.34Å; I221-H223 VanDerWaalsContact C-N 3.29Å; I221-H223 PolarHBondContact O-N 3Å; H223-E225 VanDerWaalsContact C-N 3.35Å; H223-K226 PolarHBondContact O-N 2.76Å; H223-A227 WeakPolarHBondContact O-CB 3.43Å; H223-A227 PolarHBondContact O-N 3.4Å
224	F	98.1	Very high	95.6	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.009	30%	0.304	C	S	.	.	H	α-helix	trans	-65	-40	170.7	-70.4	-52.2	0	0	0	111.9	S205 C209 A220 I221 K226 A227 V228 N240 L241 V244	S205-F224 WeakPolarHBondContact O-CE1 3.25Å; C209-F224 HydrophobicContact CB-CZ 4.4Å; A220-F224 HydrophobicContact CB-CD2 4.48Å; A220-F224 HydrophobicContact CB-CE2 4.23Å; A220-F224 WeakPolarHBondContact O-CD2 3.27Å; A220-F224 WeakPolarHBondContact O-CG 3.3Å; A220-F224 PolarHBondContact O-N 3.23Å; I221-F224 PolarHBondContact O-N 3.27Å; F224-K226 VanDerWaalsContact C-N 3.31Å; F224-K226 PolarHBondContact O-N 2.9Å; F224-A227 WeakPolarHBondContact O-CB 3.24Å; F224-A227 PolarHBondContact O-N 2.94Å; F224-V228 PolarHBondContact O-N 3.39Å; F224-N240 HydrophobicContact CD1-CB 3.97Å; F224-N240 HydrophobicContact CD2-CB 4.34Å; F224-N240 HydrophobicContact CE1-CB 3.46Å; F224-N240 VanDerWaalsContact CE1-CB 3.46Å; F224-N240 HydrophobicContact CE2-CB 3.89Å; F224-N240 HydrophobicContact CG-CB 4.4Å; F224-N240 HydrophobicContact CZ-CB 3.43Å; F224-N240 VanDerWaalsContact CZ-CB 3.43Å; F224-L241 HydrophobicContact CB-CB 3.88Å; F224-L241 HydrophobicContact CB-CD1 3.96Å; F224-L241 HydrophobicContact CB-CG 4.4Å; F224-L241 HydrophobicContact CG-CB 4.5Å; F224-V244 HydrophobicContact CD2-CG2 4.28Å; F224-V244 HydrophobicContact CE2-CG2 3.82Å
225	E	97.5	Very high	95.8	Very high	71 Å²	71	59.6 Å²	59.6	33%	0.332	30%	0.302	S	S	.	.	H	α-helix	trans	-60.9	-41.1	173.9	-74	-168.5	125.1	0	0	112.2	I221 H223 A227 V228 T229 L241 R253	I221-E225 HydrophobicContact CG2-CG 4.28Å; I221-E225 WeakPolarHBondContact O-CB 3.48Å; I221-E225 WeakPolarHBondContact O-CG 3.18Å; I221-E225 PolarHBondContact O-N 3.5Å; H223-E225 VanDerWaalsContact C-N 3.35Å; E225-A227 VanDerWaalsContact C-N 3.35Å; E225-V228 VanDerWaalsContact O-CG2 3.27Å; E225-V228 WeakPolarHBondContact O-CG2 3.44Å; E225-T229 WeakPolarHBondContact O-CB 3.25Å; E225-T229 PolarHBondContact O-N 3.11Å; E225-T229 PolarHBondContact O-OG1 2.77Å; E225-L241 HydrophobicContact CG-CD1 3.92Å; E225-L241 HydrophobicContact CG-CD2 4.1Å; E225-R253 IonicContact OE1-CZ 3.5Å; E225-R253 IonicContact OE1-NH2 3.46Å; E225-R253 PolarHBondContact OE1-NH2 3.37Å; E225-R253 IonicContact OE2-NH2 3.21Å; E225-R253 PolarHBondContact OE2-NH2 3.19Å
226	K	97.6	Very high	96	Very high	81 Å²	81	59 Å²	59	35%	0.352	30%	0.299	S	S	.	.	H	α-helix	trans	-64.2	-41.9	175.2	-170.1	59	172.4	-179.5	0	111.5	W204 H222 H223 F224 T229 L230	W204-K226 HydrophobicContact CD2-CB 4.04Å; W204-K226 HydrophobicContact CD2-CG 3.54Å; W204-K226 HydrophobicContact CE3-CB 3.78Å; W204-K226 HydrophobicContact CE3-CG 3.62Å; W204-K226 HydrophobicContact CG-CB 4.5Å; W204-K226 HydrophobicContact CG-CG 4.13Å; W204-K226 HydrophobicContact CH2-CG 3.99Å; W204-K226 HydrophobicContact CZ2-CG 3.91Å; W204-K226 HydrophobicContact CZ3-CB 4.18Å; W204-K226 HydrophobicContact CZ3-CG 3.84Å; H222-K226 PolarHBondContact O-N 3.02Å; H223-K226 PolarHBondContact O-N 2.76Å; F224-K226 VanDerWaalsContact C-N 3.31Å; F224-K226 PolarHBondContact O-N 2.9Å; K226-T229 PolarHBondContact O-N 2.93Å; K226-L230 HydrophobicContact CG-CD1 4.16Å; K226-L230 VanDerWaalsContact O-CG 3.31Å; K226-L230 WeakPolarHBondContact O-CG 3.19Å; K226-L230 PolarHBondContact O-N 2.75Å
227	A	97.9	Very high	96.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-49.1	177.3	0	0	0	0	0	112	W204 H223 F224 E225 T229 L230 D231 F234 A237	W204-A227 HydrophobicContact CB-CB 3.91Å; H223-A227 WeakPolarHBondContact O-CB 3.43Å; H223-A227 PolarHBondContact O-N 3.4Å; F224-A227 WeakPolarHBondContact O-CB 3.24Å; F224-A227 PolarHBondContact O-N 2.94Å; E225-A227 VanDerWaalsContact C-N 3.35Å; A227-T229 VanDerWaalsContact C-N 3.29Å; A227-T229 PolarHBondContact O-N 2.79Å; A227-L230 PolarHBondContact O-N 3.27Å; A227-D231 PolarHBondContact O-N 3.34Å; A227-F234 HydrophobicContact CB-CD1 4.29Å; A227-F234 HydrophobicContact CB-CE1 4.46Å; A227-A237 HydrophobicContact CB-CB 3.99Å
228	V	96.7	Very high	96.4	Very high	13 Å²	13	54 Å²	54	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-70.6	-23.6	178.6	-59.3	0	0	0	0	113.4	F224 E225 D231 P232 A237 Y238 L241	F224-V228 PolarHBondContact O-N 3.39Å; E225-V228 VanDerWaalsContact O-CG2 3.27Å; E225-V228 WeakPolarHBondContact O-CG2 3.44Å; V228-D231 CarbonylContact O-C 3.58Å; V228-D231 VanDerWaalsContact O-C 3.29Å; V228-P232 VanDerWaalsContact O-CA 3.31Å; V228-P232 WeakPolarHBondContact O-CA 3.38Å; V228-A237 HydrophobicContact CG1-CB 3.58Å; V228-Y238 HydrophobicContact CB-CD1 4.36Å; V228-Y238 HydrophobicContact CB-CD2 4.41Å; V228-Y238 HydrophobicContact CB-CE1 3.89Å; V228-Y238 HydrophobicContact CB-CE2 3.94Å; V228-Y238 HydrophobicContact CG1-CD1 3.83Å; V228-Y238 HydrophobicContact CG1-CD2 3.78Å; V228-Y238 HydrophobicContact CG1-CE1 3.88Å; V228-Y238 HydrophobicContact CG1-CE2 3.83Å; V228-Y238 HydrophobicContact CG1-CG 3.79Å; V228-Y238 HydrophobicContact CG2-CE1 4.15Å; V228-L241 HydrophobicContact CG2-CD2 4.3Å
229	T	97	Very high	96.6	Very high	99 Å²	99	46.3 Å²	46.3	61%	0.607	25%	0.246	S	C	*	.	H	α-helix	trans	-72.1	-39.5	173	-59	0	0	0	0	111.2	E225 K226 A227	E225-T229 WeakPolarHBondContact O-CB 3.25Å; E225-T229 PolarHBondContact O-N 3.11Å; E225-T229 PolarHBondContact O-OG1 2.77Å; K226-T229 PolarHBondContact O-N 2.93Å; A227-T229 VanDerWaalsContact C-N 3.29Å; A227-T229 PolarHBondContact O-N 2.79Å
230	L	97	Very high	96.7	Very high	55 Å²	55	45.3 Å²	45.3	29%	0.288	24%	0.241	S	C	.	.	H	α-helix	trans	-74.6	-38.3	178.7	-71.2	172	0	0	0	112.1	P198 T199 A201 W204 K226 A227	P198-L230 WeakPolarHBondContact O-CD1 3.35Å; T199-L230 HydrophobicContact CG2-CD2 4.37Å; A201-L230 HydrophobicContact CB-CB 3.91Å; W204-L230 VanDerWaalsContact CD1-CD1 3.41Å; W204-L230 HydrophobicContact CG-CD1 4.21Å; K226-L230 HydrophobicContact CG-CD1 4.16Å; K226-L230 VanDerWaalsContact O-CG 3.31Å; K226-L230 WeakPolarHBondContact O-CG 3.19Å; K226-L230 PolarHBondContact O-N 2.75Å; A227-L230 PolarHBondContact O-N 3.27Å
231	D	96.2	Very high	96.7	Very high	55 Å²	55	45.9 Å²	45.9	29%	0.294	24%	0.244	S	C	.	.			trans	-129.5	95.2	173.5	179.8	2.7	0	0	0	110.4	A201 A227 V228 T233 F234	A201-D231 HydrophobicContact CB-CB 3.77Å; A227-D231 PolarHBondContact O-N 3.34Å; V228-D231 CarbonylContact O-C 3.58Å; V228-D231 VanDerWaalsContact O-C 3.29Å; D231-T233 PolarHBondContact O-N 2.93Å; D231-T233 WeakPolarHBondContact OD1-CA 3.48Å; D231-T233 PolarHBondContact OD1-N 2.88Å; D231-T233 PolarHBondContact OD1-OG1 2.69Å; D231-F234 HydrophobicContact CB-CB 3.98Å; D231-F234 VanDerWaalsContact O-CB 3.28Å; D231-F234 WeakPolarHBondContact O-CB 3.49Å; D231-F234 PolarHBondContact O-N 3.13Å; D231-F234 VanDerWaalsContact O-N 3.09Å; D231-F234 PolarHBondContact OD1-N 3.34Å
232	P	95.1	Very high	96.7	Very high	85 Å²	85	45.7 Å²	45.7	55%	0.552	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-9.6	177.2	-25.2	35.9	0	0	0	115	V228 Y238	V228-P232 VanDerWaalsContact O-CA 3.31Å; V228-P232 WeakPolarHBondContact O-CA 3.38Å; P232-Y238 WeakPolarHBondContact O-CE2 3.43Å
233	T	95.5	Very high	96.7	Very high	98 Å²	98	43.4 Å²	43.4	60%	0.601	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.5	4.4	177.4	65.3	0	0	0	0	113.3	D231 L235 L264	D231-T233 PolarHBondContact O-N 2.93Å; D231-T233 WeakPolarHBondContact OD1-CA 3.48Å; D231-T233 PolarHBondContact OD1-N 2.88Å; D231-T233 PolarHBondContact OD1-OG1 2.69Å; T233-L235 PolarHBondContact O-N 3.44Å; T233-L264 HydrophobicContact CG2-CD2 4.48Å
234	F	95.8	Very high	96.7	Very high	30 Å²	30	42.7 Å²	42.7	13%	0.132	23%	0.231	C	C	.	.			trans	-77.4	88.6	-175.4	-162.5	178.9	0	0	0	112.8	A201 V202 S205 A227 D231 D236 A237 Y238	A201-F234 HydrophobicContact CB-CD1 4.14Å; A201-F234 HydrophobicContact CB-CE1 4.41Å; V202-F234 HydrophobicContact CG2-CE1 4.43Å; V202-F234 HydrophobicContact CG2-CZ 4.26Å; S205-F234 VanDerWaalsContact CB-CE1 3.42Å; A227-F234 HydrophobicContact CB-CD1 4.29Å; A227-F234 HydrophobicContact CB-CE1 4.46Å; D231-F234 HydrophobicContact CB-CB 3.98Å; D231-F234 VanDerWaalsContact O-CB 3.28Å; D231-F234 WeakPolarHBondContact O-CB 3.49Å; D231-F234 PolarHBondContact O-N 3.13Å; D231-F234 VanDerWaalsContact O-N 3.09Å; D231-F234 PolarHBondContact OD1-N 3.34Å; F234-D236 HydrophobicContact CD2-CB 4.4Å; F234-D236 HydrophobicContact CE2-CB 3.99Å; F234-D236 PolarHBondContact O-N 2.94Å; F234-A237 HydrophobicContact CB-CB 4.11Å; F234-A237 HydrophobicContact CD1-CB 3.59Å; F234-A237 HydrophobicContact CD2-CB 4.3Å; F234-A237 HydrophobicContact CE1-CB 4.06Å; F234-A237 HydrophobicContact CG-CB 3.72Å; F234-A237 PolarHBondContact O-N 2.94Å; F234-Y238 WeakPolarHBondContact O-CD2 3.27Å; F234-Y238 PolarHBondContact O-N 2.92Å
235	L	95	Very high	96.6	Very high	43 Å²	43	42.7 Å²	42.7	23%	0.225	23%	0.231	C	C	.	.	H	α-helix	trans	-52.1	-53.6	-177.5	177.2	62.2	0	0	0	113.4	T233 A237 Y238 V239 A261 L264	T233-L235 PolarHBondContact O-N 3.44Å; L235-A237 VanDerWaalsContact C-N 3.27Å; L235-A237 PolarHBondContact O-N 3.24Å; L235-Y238 PolarHBondContact O-N 3.01Å; L235-Y238 VanDerWaalsContact O-N 3.08Å; L235-V239 HydrophobicContact CD1-CG2 4.2Å; L235-V239 HydrophobicContact CG-CG2 4.47Å; L235-V239 WeakPolarHBondContact O-CG2 3.5Å; L235-V239 PolarHBondContact O-N 2.8Å; L235-A261 HydrophobicContact CD1-CB 3.74Å; L235-A261 VanDerWaalsContact CD1-O 3.3Å; L235-A261 WeakPolarHBondContact CD1-O 3.22Å; L235-L264 HydrophobicContact CB-CD1 4.44Å; L235-L264 HydrophobicContact CD1-CB 4.21Å
236	D	93.9	Very high	96.5	Very high	100 Å²	100	42.1 Å²	42.1	54%	0.535	23%	0.228	S	C	.	.	H	α-helix	trans	-61.7	-35.6	-174.6	-65.6	-23	0	0	0	112.4	F234 V239 N240	F234-D236 HydrophobicContact CD2-CB 4.4Å; F234-D236 HydrophobicContact CE2-CB 3.99Å; F234-D236 PolarHBondContact O-N 2.94Å; D236-V239 PolarHBondContact O-N 3.12Å; D236-N240 WeakPolarHBondContact O-CB 3.25Å; D236-N240 VanDerWaalsContact O-CG 3.32Å; D236-N240 PolarHBondContact O-N 3.2Å; D236-N240 PolarHBondContact O-ND2 2.82Å
237	A	95.8	Very high	96.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.2	-39.3	176.3	0	0	0	0	0	111.7	A227 V228 F234 L235 L241	A227-A237 HydrophobicContact CB-CB 3.99Å; V228-A237 HydrophobicContact CG1-CB 3.58Å; F234-A237 HydrophobicContact CB-CB 4.11Å; F234-A237 HydrophobicContact CD1-CB 3.59Å; F234-A237 HydrophobicContact CD2-CB 4.3Å; F234-A237 HydrophobicContact CE1-CB 4.06Å; F234-A237 HydrophobicContact CG-CB 3.72Å; F234-A237 PolarHBondContact O-N 2.94Å; L235-A237 VanDerWaalsContact C-N 3.27Å; L235-A237 PolarHBondContact O-N 3.24Å; A237-L241 WeakPolarHBondContact O-CB 3.42Å; A237-L241 PolarHBondContact O-N 3.08Å
238	Y	98	Very high	96	Very high	33 Å²	33	45 Å²	45	13%	0.129	25%	0.247	C	C	.	.	H	α-helix	trans	-66.8	-40.9	173.6	-79	-71.3	0	0	0	112.9	V228 P232 F234 L235 L241 G242 R260 L264	V228-Y238 HydrophobicContact CB-CD1 4.36Å; V228-Y238 HydrophobicContact CB-CD2 4.41Å; V228-Y238 HydrophobicContact CB-CE1 3.89Å; V228-Y238 HydrophobicContact CB-CE2 3.94Å; V228-Y238 HydrophobicContact CG1-CD1 3.83Å; V228-Y238 HydrophobicContact CG1-CD2 3.78Å; V228-Y238 HydrophobicContact CG1-CE1 3.88Å; V228-Y238 HydrophobicContact CG1-CE2 3.83Å; V228-Y238 HydrophobicContact CG1-CG 3.79Å; V228-Y238 HydrophobicContact CG2-CE1 4.15Å; P232-Y238 WeakPolarHBondContact O-CE2 3.43Å; F234-Y238 WeakPolarHBondContact O-CD2 3.27Å; F234-Y238 PolarHBondContact O-N 2.92Å; L235-Y238 PolarHBondContact O-N 3.01Å; L235-Y238 VanDerWaalsContact O-N 3.08Å; Y238-L241 PolarHBondContact O-N 2.95Å; Y238-G242 PolarHBondContact O-N 3.34Å; Y238-R260 HydrophobicContact CD1-CB 3.73Å; Y238-R260 HydrophobicContact CE1-CB 3.67Å; Y238-R260 HydrophobicContact CE1-CG 4.08Å; Y238-R260 HydrophobicContact CE2-CB 4.49Å; Y238-R260 HydrophobicContact CG-CB 4.18Å; Y238-L264 HydrophobicContact CD2-CD1 3.84Å; Y238-L264 HydrophobicContact CE2-CD1 4.07Å
239	V	97.7	Very high	95.8	Very high	20 Å²	20	52.8 Å²	52.8	12%	0.121	28%	0.275	C	S	.	.	H	α-helix	trans	-62.9	-48	178	177.8	0	0	0	0	110.5	L235 D236 G242 N243 A261 V271	L235-V239 HydrophobicContact CD1-CG2 4.2Å; L235-V239 HydrophobicContact CG-CG2 4.47Å; L235-V239 WeakPolarHBondContact O-CG2 3.5Å; L235-V239 PolarHBondContact O-N 2.8Å; D236-V239 PolarHBondContact O-N 3.12Å; V239-G242 PolarHBondContact O-N 2.95Å; V239-N243 PolarHBondContact O-N 2.91Å; V239-N243 PolarHBondContact O-ND2 2.83Å; V239-N243 PolarHBondContact O-OD1 3.21Å; V239-A261 HydrophobicContact CG2-CB 3.88Å; V239-V271 HydrophobicContact CG1-CG2 4.25Å; V239-V271 HydrophobicContact CG2-CG2 3.52Å
240	N	97.2	Very high	95.7	Very high	48 Å²	48	50.1 Å²	50.1	26%	0.257	26%	0.257	S	S	.	.	H	α-helix	trans	-66.2	-41	178.4	-69.9	-31.9	0	0	0	112	F224 D236 G242 N243 V244	F224-N240 HydrophobicContact CD1-CB 3.97Å; F224-N240 HydrophobicContact CD2-CB 4.34Å; F224-N240 HydrophobicContact CE1-CB 3.46Å; F224-N240 VanDerWaalsContact CE1-CB 3.46Å; F224-N240 HydrophobicContact CE2-CB 3.89Å; F224-N240 HydrophobicContact CG-CB 4.4Å; F224-N240 HydrophobicContact CZ-CB 3.43Å; F224-N240 VanDerWaalsContact CZ-CB 3.43Å; D236-N240 WeakPolarHBondContact O-CB 3.25Å; D236-N240 VanDerWaalsContact O-CG 3.32Å; D236-N240 PolarHBondContact O-N 3.2Å; D236-N240 PolarHBondContact O-ND2 2.82Å; N240-G242 VanDerWaalsContact C-N 3.32Å; N240-G242 PolarHBondContact O-N 2.58Å; N240-N243 PolarHBondContact O-N 2.91Å; N240-V244 WeakPolarHBondContact O-CG2 3.09Å; N240-V244 PolarHBondContact O-N 3.05Å
241	L	98	Very high	95.7	Very high	11 Å²	11	49.3 Å²	49.3	6%	0.058	25%	0.251	C	S	.	.	H	α-helix	trans	-55.9	-47.9	172.7	-178.9	56.1	0	0	0	111.2	I221 F224 E225 V228 A237 Y238 N243 V244 L245 A257	I221-L241 HydrophobicContact CG2-CD1 4.11Å; F224-L241 HydrophobicContact CB-CB 3.88Å; F224-L241 HydrophobicContact CB-CD1 3.96Å; F224-L241 HydrophobicContact CB-CG 4.4Å; F224-L241 HydrophobicContact CG-CB 4.5Å; E225-L241 HydrophobicContact CG-CD1 3.92Å; E225-L241 HydrophobicContact CG-CD2 4.1Å; V228-L241 HydrophobicContact CG2-CD2 4.3Å; A237-L241 WeakPolarHBondContact O-CB 3.42Å; A237-L241 PolarHBondContact O-N 3.08Å; Y238-L241 PolarHBondContact O-N 2.95Å; L241-N243 VanDerWaalsContact C-N 3.35Å; L241-N243 PolarHBondContact O-N 2.87Å; L241-V244 PolarHBondContact O-N 3.13Å; L241-L245 HydrophobicContact CD1-CD1 3.73Å; L241-L245 HydrophobicContact CD1-CG 4.05Å; L241-L245 HydrophobicContact CG-CD1 3.69Å; L241-L245 HydrophobicContact CG-CG 4.44Å; L241-L245 WeakPolarHBondContact O-CB 3.23Å; L241-L245 WeakPolarHBondContact O-CD1 3.46Å; L241-L245 WeakPolarHBondContact O-CG 3.43Å; L241-L245 PolarHBondContact O-N 3.21Å; L241-A257 HydrophobicContact CB-CB 4.4Å; L241-A257 HydrophobicContact CD2-CB 4.28Å; L241-A257 HydrophobicContact CG-CB 4.16Å
242	G	97.5	Very high	95.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.4	-43.4	176.7	0	0	0	0	0	112.7	Y238 V239 N240 L245 K246 Y258	Y238-G242 PolarHBondContact O-N 3.34Å; V239-G242 PolarHBondContact O-N 2.95Å; N240-G242 VanDerWaalsContact C-N 3.32Å; N240-G242 PolarHBondContact O-N 2.58Å; G242-L245 PolarHBondContact O-N 2.85Å; G242-K246 VanDerWaalsContact O-CB 3.32Å; G242-K246 WeakPolarHBondContact O-CB 3.36Å; G242-K246 PolarHBondContact O-N 2.8Å; G242-Y258 VanDerWaalsContact C-OH 3.23Å; G242-Y258 PolarHBondContact O-OH 3.28Å
243	N	96.1	Very high	95.7	Very high	51 Å²	51	53.3 Å²	53.3	27%	0.273	26%	0.261	S	S	.	.	H	α-helix	trans	-62.3	-47.4	178.9	-66.8	-15.4	0	0	0	112.1	V239 N240 L241 K246 E247 Y258 N274	V239-N243 PolarHBondContact O-N 2.91Å; V239-N243 PolarHBondContact O-ND2 2.83Å; V239-N243 PolarHBondContact O-OD1 3.21Å; N240-N243 PolarHBondContact O-N 2.91Å; L241-N243 VanDerWaalsContact C-N 3.35Å; L241-N243 PolarHBondContact O-N 2.87Å; N243-K246 WeakPolarHBondContact O-CB 3.46Å; N243-K246 PolarHBondContact O-N 2.94Å; N243-E247 PolarHBondContact O-N 2.73Å; N243-Y258 VanDerWaalsContact CA-OH 3.26Å; N243-Y258 WeakPolarHBondContact CA-OH 3.19Å; N243-Y258 PolarHBondContact N-OH 2.86Å; N243-Y258 WeakPolarHBondContact OD1-CE1 3.32Å; N243-Y258 PolarHBondContact OD1-OH 3.45Å; N243-N274 PolarHBondContact OD1-ND2 3.24Å
244	V	96.4	Very high	95.8	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-68.7	-37.2	179.5	-179.2	0	0	0	0	111.4	N212 I217 A220 I221 F224 N240 L241 E247 A248	N212-V244 HydrophobicContact CB-CG2 4.21Å; N212-V244 VanDerWaalsContact CG-CG2 3.5Å; N212-V244 VanDerWaalsContact OD1-CG2 3.29Å; N212-V244 WeakPolarHBondContact OD1-CG2 3.37Å; I217-V244 HydrophobicContact CG2-CG1 3.8Å; A220-V244 HydrophobicContact CB-CG1 4.13Å; A220-V244 HydrophobicContact CB-CG2 4.45Å; I221-V244 HydrophobicContact CD1-CG1 4.22Å; I221-V244 HydrophobicContact CG1-CB 4.37Å; I221-V244 HydrophobicContact CG1-CG1 3.62Å; F224-V244 HydrophobicContact CD2-CG2 4.28Å; F224-V244 HydrophobicContact CE2-CG2 3.82Å; N240-V244 WeakPolarHBondContact O-CG2 3.09Å; N240-V244 PolarHBondContact O-N 3.05Å; L241-V244 PolarHBondContact O-N 3.13Å; V244-E247 PolarHBondContact O-N 2.79Å; V244-A248 WeakPolarHBondContact O-CB 3.43Å; V244-A248 PolarHBondContact O-N 3.44Å
245	L	97.5	Very high	95.9	Very high	2 Å²	2	48 Å²	48	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-66.2	-37.6	174.6	-72.6	166.7	0	0	0	112.4	I221 L241 G242 A248 R249 I250 R253 A254 A257	I221-L245 HydrophobicContact CD1-CD2 3.89Å; I221-L245 HydrophobicContact CG1-CD2 4.16Å; I221-L245 HydrophobicContact CG1-CG 4.48Å; I221-L245 HydrophobicContact CG2-CD2 4.22Å; L241-L245 HydrophobicContact CD1-CD1 3.73Å; L241-L245 HydrophobicContact CD1-CG 4.05Å; L241-L245 HydrophobicContact CG-CD1 3.69Å; L241-L245 HydrophobicContact CG-CG 4.44Å; L241-L245 WeakPolarHBondContact O-CB 3.23Å; L241-L245 WeakPolarHBondContact O-CD1 3.46Å; L241-L245 WeakPolarHBondContact O-CG 3.43Å; L241-L245 PolarHBondContact O-N 3.21Å; G242-L245 PolarHBondContact O-N 2.85Å; L245-A248 CarbonylContact O-C 3.57Å; L245-A248 PolarHBondContact O-N 2.69Å; L245-R249 PolarHBondContact O-N 3.32Å; L245-R249 VanDerWaalsContact O-N 3.16Å; L245-I250 HydrophobicContact CD2-CB 4.13Å; L245-I250 HydrophobicContact CD2-CD1 4.15Å; L245-I250 HydrophobicContact CD2-CG2 4.41Å; L245-I250 PolarHBondContact O-N 3.25Å; L245-R253 HydrophobicContact CD1-CB 3.78Å; L245-R253 HydrophobicContact CD2-CB 4.11Å; L245-R253 HydrophobicContact CG-CB 4.5Å; L245-A254 HydrophobicContact CB-CB 3.76Å; L245-A257 HydrophobicContact CD1-CB 4.41Å
246	K	95.3	Very high	96	Very high	60 Å²	60	48.6 Å²	48.6	26%	0.261	24%	0.242	S	C	.	.	H	α-helix	trans	-61.7	-46.2	172.6	171.8	-171.6	169.7	-166.5	0	110.5	G242 N243 A248 R249 A254 V278	G242-K246 VanDerWaalsContact O-CB 3.32Å; G242-K246 WeakPolarHBondContact O-CB 3.36Å; G242-K246 PolarHBondContact O-N 2.8Å; N243-K246 WeakPolarHBondContact O-CB 3.46Å; N243-K246 PolarHBondContact O-N 2.94Å; K246-A248 VanDerWaalsContact C-N 3.32Å; K246-A248 PolarHBondContact O-N 3.35Å; K246-R249 WeakPolarHBondContact O-CA 3.41Å; K246-R249 PolarHBondContact O-N 2.72Å; K246-A254 HydrophobicContact CB-CB 4.33Å; K246-V278 HydrophobicContact CB-CG2 4.13Å; K246-V278 HydrophobicContact CD-CG2 4.09Å; K246-V278 HydrophobicContact CG-CG2 3.94Å
247	E	91.2	Very high	96.2	Very high	110 Å²	110	44.1 Å²	44.1	51%	0.514	22%	0.218	S	C	.	.	H	α-helix	trans	-61.8	-40.1	176.8	-173.9	170	-173.7	0	0	112	N243 V244 R249	N243-E247 PolarHBondContact O-N 2.73Å; V244-E247 PolarHBondContact O-N 2.79Å; E247-R249 PolarHBondContact O-N 3.1Å
248	A	93.1	Very high	96.3	Very high	30 Å²	30	44.1 Å²	44.1	25%	0.248	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-2.1	172.4	0	0	0	0	0	114.4	I217 I221 V244 L245 K246 I250	I217-A248 HydrophobicContact CG2-CB 3.85Å; I221-A248 HydrophobicContact CD1-CB 4.34Å; V244-A248 WeakPolarHBondContact O-CB 3.43Å; V244-A248 PolarHBondContact O-N 3.44Å; L245-A248 CarbonylContact O-C 3.57Å; L245-A248 PolarHBondContact O-N 2.69Å; K246-A248 VanDerWaalsContact C-N 3.32Å; K246-A248 PolarHBondContact O-N 3.35Å; A248-I250 HydrophobicContact CB-CD1 3.98Å; A248-I250 HydrophobicContact CB-CG1 3.92Å; A248-I250 PolarHBondContact O-N 3.35Å
249	R	93.2	Very high	96.2	Very high	177 Å²	177	46.2 Å²	46.2	67%	0.668	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	29.6	-174.3	-59.8	-173.7	170.6	-139	-6.8	114.6	L245 K246 E247 F251	L245-R249 PolarHBondContact O-N 3.32Å; L245-R249 VanDerWaalsContact O-N 3.16Å; K246-R249 WeakPolarHBondContact O-CA 3.41Å; K246-R249 PolarHBondContact O-N 2.72Å; E247-R249 PolarHBondContact O-N 3.1Å; R249-F251 VanDerWaalsContact C-N 3.35Å; R249-F251 HydrophobicContact CB-CE1 4.37Å; R249-F251 HydrophobicContact CB-CE2 4.46Å; R249-F251 HydrophobicContact CB-CZ 4.08Å; R249-F251 HydrophobicContact CG-CZ 4.15Å; R249-F251 PolarHBondContact O-N 3.08Å
250	I	95.1	Very high	96.2	Very high	44 Å²	44	52.4 Å²	52.4	23%	0.226	25%	0.253	C	S	.	.			trans	-94.9	68.4	175.4	-48.7	176.1	0	0	0	108.6	W218 I221 L245 A248 D252 R253 A254	W218-I250 HydrophobicContact CH2-CD1 3.76Å; W218-I250 HydrophobicContact CZ3-CD1 3.78Å; I221-I250 HydrophobicContact CD1-CD1 4.49Å; L245-I250 HydrophobicContact CD2-CB 4.13Å; L245-I250 HydrophobicContact CD2-CD1 4.15Å; L245-I250 HydrophobicContact CD2-CG2 4.41Å; L245-I250 PolarHBondContact O-N 3.25Å; A248-I250 HydrophobicContact CB-CD1 3.98Å; A248-I250 HydrophobicContact CB-CG1 3.92Å; A248-I250 PolarHBondContact O-N 3.35Å; I250-D252 PolarHBondContact O-N 3.11Å; I250-R253 HydrophobicContact CG2-CB 4.07Å; I250-R253 HydrophobicContact CG2-CG 4.2Å; I250-R253 PolarHBondContact O-N 3.18Å; I250-A254 PolarHBondContact O-N 2.91Å
251	F	95.9	Very high	96.2	Very high	38 Å²	38	50.1 Å²	50.1	17%	0.167	24%	0.24	C	C	.	.	H	α-helix	trans	-62	-40.5	-165	-62.2	-45.2	0	0	0	114.6	R249 R253 A254 V255 V278 E281 Q282	R249-F251 VanDerWaalsContact C-N 3.35Å; R249-F251 HydrophobicContact CB-CE1 4.37Å; R249-F251 HydrophobicContact CB-CE2 4.46Å; R249-F251 HydrophobicContact CB-CZ 4.08Å; R249-F251 HydrophobicContact CG-CZ 4.15Å; R249-F251 PolarHBondContact O-N 3.08Å; F251-R253 VanDerWaalsContact C-N 3.29Å; F251-R253 PolarHBondContact O-N 3.09Å; F251-A254 WeakPolarHBondContact O-CB 3.11Å; F251-A254 PolarHBondContact O-N 2.96Å; F251-A254 VanDerWaalsContact O-N 3.11Å; F251-V255 WeakPolarHBondContact O-CG2 3.4Å; F251-V255 PolarHBondContact O-N 3.29Å; F251-V278 HydrophobicContact CB-CG1 3.66Å; F251-V278 HydrophobicContact CD1-CG1 3.67Å; F251-V278 HydrophobicContact CD1-CG2 4.49Å; F251-V278 HydrophobicContact CG-CG1 3.92Å; F251-E281 HydrophobicContact CE1-CB 4Å; F251-E281 HydrophobicContact CE1-CG 4.47Å; F251-E281 HydrophobicContact CE2-CB 4.06Å; F251-E281 HydrophobicContact CZ-CB 3.58Å; F251-E281 HydrophobicContact CZ-CG 4.24Å; F251-Q282 HydrophobicContact CB-CG 3.79Å; F251-Q282 VanDerWaalsContact CB-NE2 3.31Å; F251-Q282 HydrophobicContact CD2-CG 3.71Å; F251-Q282 HydrophobicContact CG-CG 3.91Å
252	D	94.8	Very high	96.2	Very high	127 Å²	127	50.5 Å²	50.5	68%	0.679	24%	0.242	S	C	*	.	H	α-helix	trans	-60.4	-40.4	-178.2	-58.5	-33	0	0	0	112.1	I250 A256 Q282	I250-D252 PolarHBondContact O-N 3.11Å; D252-A256 PolarHBondContact O-N 3.29Å; D252-A256 VanDerWaalsContact O-N 3.16Å; D252-Q282 PolarHBondContact OD1-NE2 3.28Å
253	R	96.6	Very high	96.1	Very high	96 Å²	96	54.9 Å²	54.9	36%	0.362	27%	0.269	S	S	.	.	H	α-helix	trans	-75.5	-35.3	176.5	-70.2	175.2	61.6	-163.7	0.2	111.7	E225 L245 I250 F251 A256 A257	E225-R253 IonicContact OE1-CZ 3.5Å; E225-R253 IonicContact OE1-NH2 3.46Å; E225-R253 PolarHBondContact OE1-NH2 3.37Å; E225-R253 IonicContact OE2-NH2 3.21Å; E225-R253 PolarHBondContact OE2-NH2 3.19Å; L245-R253 HydrophobicContact CD1-CB 3.78Å; L245-R253 HydrophobicContact CD2-CB 4.11Å; L245-R253 HydrophobicContact CG-CB 4.5Å; I250-R253 HydrophobicContact CG2-CB 4.07Å; I250-R253 HydrophobicContact CG2-CG 4.2Å; I250-R253 PolarHBondContact O-N 3.18Å; F251-R253 VanDerWaalsContact C-N 3.29Å; F251-R253 PolarHBondContact O-N 3.09Å; R253-A256 PolarHBondContact O-N 3.32Å; R253-A257 PolarHBondContact O-N 2.87Å
254	A	97.8	Very high	96.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.7	-46.1	174.6	0	0	0	0	0	111.2	L245 K246 I250 F251 A256 A257 Y258 V278	L245-A254 HydrophobicContact CB-CB 3.76Å; K246-A254 HydrophobicContact CB-CB 4.33Å; I250-A254 PolarHBondContact O-N 2.91Å; F251-A254 WeakPolarHBondContact O-CB 3.11Å; F251-A254 PolarHBondContact O-N 2.96Å; F251-A254 VanDerWaalsContact O-N 3.11Å; A254-A256 PolarHBondContact O-N 3.15Å; A254-A257 PolarHBondContact O-N 3.21Å; A254-Y258 HydrophobicContact CB-CE2 4.39Å; A254-Y258 WeakPolarHBondContact O-CD2 3.39Å; A254-Y258 PolarHBondContact O-N 3.33Å; A254-V278 HydrophobicContact CB-CG2 4.29Å
255	V	97.8	Very high	96.1	Very high	18 Å²	18	57.6 Å²	57.6	11%	0.109	29%	0.286	C	S	.	.	H	α-helix	trans	-58	-47.8	174.4	171.1	0	0	0	0	110.7	F251 A257 Y258 L259 L275 V278 Y279	F251-V255 WeakPolarHBondContact O-CG2 3.4Å; F251-V255 PolarHBondContact O-N 3.29Å; V255-A257 VanDerWaalsContact C-N 3.34Å; V255-A257 PolarHBondContact O-N 3.15Å; V255-Y258 PolarHBondContact O-N 3.41Å; V255-L259 HydrophobicContact CG1-CD1 3.73Å; V255-L259 HydrophobicContact CG1-CG 4.17Å; V255-L259 WeakPolarHBondContact O-CB 3.25Å; V255-L259 VanDerWaalsContact O-CG 3.31Å; V255-L259 WeakPolarHBondContact O-CG 3.2Å; V255-L259 PolarHBondContact O-N 3.3Å; V255-L275 HydrophobicContact CB-CD1 4.21Å; V255-L275 HydrophobicContact CG1-CD1 4.02Å; V255-L275 HydrophobicContact CG2-CD1 3.92Å; V255-V278 HydrophobicContact CG2-CB 4.33Å; V255-V278 HydrophobicContact CG2-CG1 3.61Å; V255-Y279 HydrophobicContact CG1-CE1 4.32Å; V255-Y279 HydrophobicContact CG2-CE1 4.1Å
256	A	96.9	Very high	96	Very high	55 Å²	55	61.1 Å²	61.1	46%	0.455	31%	0.31	S	S	.	.	H	α-helix	trans	-59.7	-42.3	178.6	0	0	0	0	0	112.6	D252 R253 A254 R260	D252-A256 PolarHBondContact O-N 3.29Å; D252-A256 VanDerWaalsContact O-N 3.16Å; R253-A256 PolarHBondContact O-N 3.32Å; A254-A256 PolarHBondContact O-N 3.15Å; A256-R260 PolarHBondContact O-N 2.95Å
257	A	97.5	Very high	96	Very high	5 Å²	5	63.3 Å²	63.3	4%	0.041	32%	0.324	C	S	.	.	H	α-helix	trans	-64.4	-45.8	176.7	0	0	0	0	0	111.9	L241 L245 R253 A254 V255 R260 A261	L241-A257 HydrophobicContact CB-CB 4.4Å; L241-A257 HydrophobicContact CD2-CB 4.28Å; L241-A257 HydrophobicContact CG-CB 4.16Å; L245-A257 HydrophobicContact CD1-CB 4.41Å; R253-A257 PolarHBondContact O-N 2.87Å; A254-A257 PolarHBondContact O-N 3.21Å; V255-A257 VanDerWaalsContact C-N 3.34Å; V255-A257 PolarHBondContact O-N 3.15Å; A257-R260 PolarHBondContact O-N 2.84Å; A257-A261 PolarHBondContact O-N 3.15Å
258	Y	98.2	Very high	96.2	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.4	-40.5	176.9	-68.7	-45.2	0	0	0	113	G242 N243 A254 V255 R260 A261 L262 V271 N274 L275 V278	G242-Y258 VanDerWaalsContact C-OH 3.23Å; G242-Y258 PolarHBondContact O-OH 3.28Å; N243-Y258 VanDerWaalsContact CA-OH 3.26Å; N243-Y258 WeakPolarHBondContact CA-OH 3.19Å; N243-Y258 PolarHBondContact N-OH 2.86Å; N243-Y258 WeakPolarHBondContact OD1-CE1 3.32Å; N243-Y258 PolarHBondContact OD1-OH 3.45Å; A254-Y258 HydrophobicContact CB-CE2 4.39Å; A254-Y258 WeakPolarHBondContact O-CD2 3.39Å; A254-Y258 PolarHBondContact O-N 3.33Å; V255-Y258 PolarHBondContact O-N 3.41Å; Y258-R260 VanDerWaalsContact C-N 3.29Å; Y258-R260 PolarHBondContact O-N 3.15Å; Y258-A261 WeakPolarHBondContact O-CB 3.47Å; Y258-A261 PolarHBondContact O-N 3.21Å; Y258-L262 WeakPolarHBondContact O-CG 3.47Å; Y258-L262 PolarHBondContact O-N 3.32Å; Y258-V271 HydrophobicContact CD1-CG1 3.88Å; Y258-V271 HydrophobicContact CG-CG1 4.23Å; Y258-N274 HydrophobicContact CE1-CB 3.92Å; Y258-N274 HydrophobicContact CE2-CB 4.08Å; Y258-L275 HydrophobicContact CD2-CB 4.28Å; Y258-L275 HydrophobicContact CD2-CD1 4.35Å; Y258-L275 HydrophobicContact CG-CB 4.47Å; Y258-V278 HydrophobicContact CD2-CG2 4.42Å; Y258-V278 HydrophobicContact CE2-CG2 3.91Å
259	L	97.6	Very high	96.4	Very high	78 Å²	78	58.9 Å²	58.9	41%	0.408	30%	0.3	S	S	.	.	H	α-helix	trans	-63.9	-35.2	175.8	-72.1	175.5	0	0	0	112	V255 L262 T263 L275	V255-L259 HydrophobicContact CG1-CD1 3.73Å; V255-L259 HydrophobicContact CG1-CG 4.17Å; V255-L259 WeakPolarHBondContact O-CB 3.25Å; V255-L259 VanDerWaalsContact O-CG 3.31Å; V255-L259 WeakPolarHBondContact O-CG 3.2Å; V255-L259 PolarHBondContact O-N 3.3Å; L259-L262 PolarHBondContact O-N 3.46Å; L259-T263 PolarHBondContact O-N 2.84Å; L259-T263 PolarHBondContact O-OG1 3.44Å; L259-L275 HydrophobicContact CD2-CD2 4.03Å
260	R	96.9	Very high	96.5	Very high	149 Å²	149	53.4 Å²	53.4	56%	0.562	29%	0.287	S	S	*	.	H	α-helix	trans	-66.5	-43.8	171	-77.7	-54.7	-168.5	-171.6	2.6	112.4	Y238 A256 A257 Y258 L262 T263 L264	Y238-R260 HydrophobicContact CD1-CB 3.73Å; Y238-R260 HydrophobicContact CE1-CB 3.67Å; Y238-R260 HydrophobicContact CE1-CG 4.08Å; Y238-R260 HydrophobicContact CE2-CB 4.49Å; Y238-R260 HydrophobicContact CG-CB 4.18Å; A256-R260 PolarHBondContact O-N 2.95Å; A257-R260 PolarHBondContact O-N 2.84Å; Y258-R260 VanDerWaalsContact C-N 3.29Å; Y258-R260 PolarHBondContact O-N 3.15Å; R260-L262 VanDerWaalsContact C-N 3.27Å; R260-L262 PolarHBondContact O-N 3.49Å; R260-T263 WeakPolarHBondContact O-CB 3.33Å; R260-T263 PolarHBondContact O-N 3.16Å; R260-T263 VanDerWaalsContact O-N 3.12Å; R260-L264 PolarHBondContact O-N 3.46Å
261	A	97.3	Very high	96.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-57.3	-40.2	171.4	0	0	0	0	0	112.1	L235 V239 A257 Y258 L264 S265 V271	L235-A261 HydrophobicContact CD1-CB 3.74Å; L235-A261 VanDerWaalsContact CD1-O 3.3Å; L235-A261 WeakPolarHBondContact CD1-O 3.22Å; V239-A261 HydrophobicContact CG2-CB 3.88Å; A257-A261 PolarHBondContact O-N 3.15Å; Y258-A261 WeakPolarHBondContact O-CB 3.47Å; Y258-A261 PolarHBondContact O-N 3.21Å; A261-L264 PolarHBondContact O-N 2.84Å; A261-S265 PolarHBondContact O-N 2.98Å; A261-V271 HydrophobicContact CB-CG1 4.09Å; A261-V271 HydrophobicContact CB-CG2 4.33Å
262	L	96.9	Very high	96.7	Very high	19 Å²	19	50.8 Å²	50.8	10%	0.099	27%	0.274	C	S	.	.	H	α-helix	trans	-72.1	-26.2	176.6	-69.5	176.2	0	0	0	113.7	Y258 L259 R260 L264 S265 P266 N268 V271 H272 L275	Y258-L262 WeakPolarHBondContact O-CG 3.47Å; Y258-L262 PolarHBondContact O-N 3.32Å; L259-L262 PolarHBondContact O-N 3.46Å; R260-L262 VanDerWaalsContact C-N 3.27Å; R260-L262 PolarHBondContact O-N 3.49Å; L262-L264 VanDerWaalsContact C-N 3.29Å; L262-S265 CarbonylContact O-C 3.6Å; L262-S265 VanDerWaalsContact O-C 3.28Å; L262-P266 WeakPolarHBondContact O-CA 3.44Å; L262-P266 WeakPolarHBondContact O-CD 3.37Å; L262-P266 WeakPolarHBondContact O-CG 3.24Å; L262-N268 HydrophobicContact CD2-CB 4.42Å; L262-V271 HydrophobicContact CD1-CG1 4.22Å; L262-V271 HydrophobicContact CD2-CB 3.87Å; L262-V271 HydrophobicContact CD2-CG1 3.71Å; L262-V271 HydrophobicContact CG-CB 4.33Å; L262-V271 HydrophobicContact CG-CG1 3.6Å; L262-H272 WeakPolarHBondContact CD2-NE2 3.24Å; L262-L275 HydrophobicContact CD1-CD2 3.89Å
263	T	96.9	Very high	96.8	Very high	93 Å²	93	44.9 Å²	44.9	57%	0.571	24%	0.243	S	C	*	.	H	α-helix	trans	-66.7	-37.3	171	-55.4	0	0	0	0	110.7	L259 R260	L259-T263 PolarHBondContact O-N 2.84Å; L259-T263 PolarHBondContact O-OG1 3.44Å; R260-T263 WeakPolarHBondContact O-CB 3.33Å; R260-T263 PolarHBondContact O-N 3.16Å; R260-T263 VanDerWaalsContact O-N 3.12Å
264	L	95.7	Very high	96.8	Very high	71 Å²	71	41.9 Å²	41.9	37%	0.372	23%	0.234	S	C	.	.	H	α-helix	trans	-76.3	-37.6	177.1	-62.9	171.5	0	0	0	112.2	T233 L235 Y238 R260 A261 L262	T233-L264 HydrophobicContact CG2-CD2 4.48Å; L235-L264 HydrophobicContact CB-CD1 4.44Å; L235-L264 HydrophobicContact CD1-CB 4.21Å; Y238-L264 HydrophobicContact CD2-CD1 3.84Å; Y238-L264 HydrophobicContact CE2-CD1 4.07Å; R260-L264 PolarHBondContact O-N 3.46Å; A261-L264 PolarHBondContact O-N 2.84Å; L262-L264 VanDerWaalsContact C-N 3.29Å
265	S	96.3	Very high	96.8	Very high	37 Å²	37	42 Å²	42	26%	0.259	24%	0.235	S	C	.	.			trans	-137.9	85.4	178.5	-171.6	0	0	0	0	111.3	A261 L262 N267 N268	A261-S265 PolarHBondContact O-N 2.98Å; L262-S265 CarbonylContact O-C 3.6Å; L262-S265 VanDerWaalsContact O-C 3.28Å; S265-N267 PolarHBondContact O-N 3.12Å; S265-N267 VanDerWaalsContact O-N 3.12Å; S265-N268 WeakPolarHBondContact O-CB 3.44Å; S265-N268 PolarHBondContact O-N 2.91Å
266	P	95.5	Very high	96.8	Very high	77 Å²	77	41.2 Å²	41.2	50%	0.5	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-24.2	-174.1	-26.4	34.6	0	0	0	115.1	L262 H272	L262-P266 WeakPolarHBondContact O-CA 3.44Å; L262-P266 WeakPolarHBondContact O-CD 3.37Å; L262-P266 WeakPolarHBondContact O-CG 3.24Å; P266-H272 PolarHBondContact O-NE2 2.91Å
267	N	95.2	Very high	96.8	Very high	106 Å²	106	39.4 Å²	39.4	57%	0.567	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.9	18	-175.9	-67.4	-22.1	0	0	0	112.9	S265 A269 L298	S265-N267 PolarHBondContact O-N 3.12Å; S265-N267 VanDerWaalsContact O-N 3.12Å; N267-A269 PolarHBondContact O-N 2.97Å; N267-A269 VanDerWaalsContact O-N 3.17Å; N267-L298 HydrophobicContact CB-CD2 3.8Å
268	N	96.1	Very high	96.8	Very high	40 Å²	40	39.1 Å²	39.1	21%	0.214	21%	0.212	C	C	.	.			trans	-78.7	97.8	177.6	-169.6	-35.6	0	0	0	111.6	L262 S265 V270 V271 H272	L262-N268 HydrophobicContact CD2-CB 4.42Å; S265-N268 WeakPolarHBondContact O-CB 3.44Å; S265-N268 PolarHBondContact O-N 2.91Å; N268-V270 VanDerWaalsContact C-N 3.34Å; N268-V270 PolarHBondContact O-N 3.37Å; N268-V270 PolarHBondContact OD1-N 3.14Å; N268-V271 HydrophobicContact CB-CB 4.18Å; N268-V271 HydrophobicContact CB-CG2 4.09Å; N268-V271 VanDerWaalsContact CG-CG2 3.47Å; N268-V271 PolarHBondContact O-N 3.04Å; N268-V271 PolarHBondContact OD1-N 2.95Å; N268-H272 PolarHBondContact O-CD2 3.14Å; N268-H272 VanDerWaalsContact O-CD2 3.22Å; N268-H272 PolarHBondContact O-N 3.31Å; N268-H272 VanDerWaalsContact O-N 3.16Å
269	A	95.7	Very high	96.7	Very high	6 Å²	6	40.8 Å²	40.8	5%	0.05	22%	0.218	C	C	.	.	H	α-helix	trans	-58	-40	-178.2	0	0	0	0	0	113.7	N267 V271 H272 G273 A295 L298 Q299	N267-A269 PolarHBondContact O-N 2.97Å; N267-A269 VanDerWaalsContact O-N 3.17Å; A269-V271 VanDerWaalsContact C-N 3.34Å; A269-V271 PolarHBondContact O-N 2.65Å; A269-H272 PolarHBondContact O-N 2.65Å; A269-G273 PolarHBondContact O-N 3.3Å; A269-A295 WeakPolarHBondContact CB-O 3.5Å; A269-A295 WeakPolarHBondContact O-CB 3.34Å; A269-L298 HydrophobicContact CB-CB 3.81Å; A269-Q299 HydrophobicContact CB-CB 3.45Å; A269-Q299 VanDerWaalsContact CB-CB 3.45Å
270	V	95.5	Very high	96.7	Very high	63 Å²	63	39.9 Å²	39.9	38%	0.382	21%	0.21	S	C	.	.	H	α-helix	trans	-64.7	-40.5	-179.1	177.7	0	0	0	0	110.9	N268 G273 N274	N268-V270 VanDerWaalsContact C-N 3.34Å; N268-V270 PolarHBondContact O-N 3.37Å; N268-V270 PolarHBondContact OD1-N 3.14Å; V270-G273 PolarHBondContact O-N 3.08Å; V270-N274 WeakPolarHBondContact O-CB 3.39Å; V270-N274 PolarHBondContact O-N 3.36Å
271	V	97	Very high	96.5	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-67.3	-41.7	177	178.7	0	0	0	0	111.3	V239 Y258 A261 L262 N268 A269 G273 N274 L275	V239-V271 HydrophobicContact CG1-CG2 4.25Å; V239-V271 HydrophobicContact CG2-CG2 3.52Å; Y258-V271 HydrophobicContact CD1-CG1 3.88Å; Y258-V271 HydrophobicContact CG-CG1 4.23Å; A261-V271 HydrophobicContact CB-CG1 4.09Å; A261-V271 HydrophobicContact CB-CG2 4.33Å; L262-V271 HydrophobicContact CD1-CG1 4.22Å; L262-V271 HydrophobicContact CD2-CB 3.87Å; L262-V271 HydrophobicContact CD2-CG1 3.71Å; L262-V271 HydrophobicContact CG-CB 4.33Å; L262-V271 HydrophobicContact CG-CG1 3.6Å; N268-V271 HydrophobicContact CB-CB 4.18Å; N268-V271 HydrophobicContact CB-CG2 4.09Å; N268-V271 VanDerWaalsContact CG-CG2 3.47Å; N268-V271 PolarHBondContact O-N 3.04Å; N268-V271 PolarHBondContact OD1-N 2.95Å; A269-V271 VanDerWaalsContact C-N 3.34Å; A269-V271 PolarHBondContact O-N 2.65Å; V271-G273 VanDerWaalsContact C-N 3.34Å; V271-G273 PolarHBondContact O-N 2.95Å; V271-N274 PolarHBondContact O-N 3.17Å; V271-L275 VanDerWaalsContact O-CB 3.26Å; V271-L275 WeakPolarHBondContact O-CB 3.45Å; V271-L275 PolarHBondContact O-N 2.87Å
272	H	98.1	Very high	96.4	Very high	25 Å²	25	40.4 Å²	40.4	12%	0.116	22%	0.219	C	C	.	.	H	α-helix	trans	-58.4	-46.1	171.4	-78	-72.6	0	0	0	111.3	L262 P266 N268 A269 N274 L275 A276 T291 A295 L298	L262-H272 WeakPolarHBondContact CD2-NE2 3.24Å; P266-H272 PolarHBondContact O-NE2 2.91Å; N268-H272 PolarHBondContact O-CD2 3.14Å; N268-H272 VanDerWaalsContact O-CD2 3.22Å; N268-H272 PolarHBondContact O-N 3.31Å; N268-H272 VanDerWaalsContact O-N 3.16Å; A269-H272 PolarHBondContact O-N 2.65Å; H272-N274 PolarHBondContact O-N 2.97Å; H272-L275 PolarHBondContact O-N 2.96Å; H272-A276 WeakPolarHBondContact O-CB 3.3Å; H272-A276 PolarHBondContact O-N 3.39Å; H272-T291 HydrophobicContact CB-CG2 4.3Å; H272-T291 VanDerWaalsContact O-CG2 3.26Å; H272-T291 WeakPolarHBondContact O-CG2 3.11Å; H272-A295 HydrophobicContact CB-CB 3.8Å; H272-L298 WeakPolarHBondContact CD2-CD1 3.49Å
273	G	97	Very high	96.2	Very high	3 Å²	3	45.4 Å²	45.4	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-60.4	-44.4	177.7	0	0	0	0	0	113	A269 V270 V271 A276 C277	A269-G273 PolarHBondContact O-N 3.3Å; V270-G273 PolarHBondContact O-N 3.08Å; V271-G273 VanDerWaalsContact C-N 3.34Å; V271-G273 PolarHBondContact O-N 2.95Å; G273-A276 WeakPolarHBondContact O-CB 3.47Å; G273-A276 PolarHBondContact O-N 3.24Å; G273-C277 PolarHBondContact O-N 3.28Å; G273-C277 VanDerWaalsContact O-N 3.08Å; G273-C277 PolarHBondContact O-SG 2.94Å
274	N	96.8	Very high	96.1	Very high	33 Å²	33	44.5 Å²	44.5	18%	0.176	24%	0.237	C	C	.	.	H	α-helix	trans	-68.1	-39	177.6	-78.5	-21.2	0	0	0	113	N243 Y258 V270 V271 H272 A276 C277 V278	N243-N274 PolarHBondContact OD1-ND2 3.24Å; Y258-N274 HydrophobicContact CE1-CB 3.92Å; Y258-N274 HydrophobicContact CE2-CB 4.08Å; V270-N274 WeakPolarHBondContact O-CB 3.39Å; V270-N274 PolarHBondContact O-N 3.36Å; V271-N274 PolarHBondContact O-N 3.17Å; H272-N274 PolarHBondContact O-N 2.97Å; N274-A276 VanDerWaalsContact C-N 3.34Å; N274-C277 WeakPolarHBondContact O-CB 3.39Å; N274-C277 PolarHBondContact O-N 2.97Å; N274-V278 PolarHBondContact O-N 2.96Å
275	L	97.8	Very high	96.1	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-62	-43.4	173.7	177.3	60.5	0	0	0	111.1	V255 Y258 L259 L262 V271 H272 C277 V278 Y279 T291	V255-L275 HydrophobicContact CB-CD1 4.21Å; V255-L275 HydrophobicContact CG1-CD1 4.02Å; V255-L275 HydrophobicContact CG2-CD1 3.92Å; Y258-L275 HydrophobicContact CD2-CB 4.28Å; Y258-L275 HydrophobicContact CD2-CD1 4.35Å; Y258-L275 HydrophobicContact CG-CB 4.47Å; L259-L275 HydrophobicContact CD2-CD2 4.03Å; L262-L275 HydrophobicContact CD1-CD2 3.89Å; V271-L275 VanDerWaalsContact O-CB 3.26Å; V271-L275 WeakPolarHBondContact O-CB 3.45Å; V271-L275 PolarHBondContact O-N 2.87Å; H272-L275 PolarHBondContact O-N 2.96Å; L275-C277 VanDerWaalsContact C-N 3.3Å; L275-C277 PolarHBondContact O-N 3.19Å; L275-V278 WeakPolarHBondContact O-CB 3.32Å; L275-V278 PolarHBondContact O-N 3.24Å; L275-Y279 HydrophobicContact CD1-CE1 4.19Å; L275-Y279 HydrophobicContact CD1-CE2 3.92Å; L275-Y279 HydrophobicContact CD2-CE2 3.98Å; L275-Y279 HydrophobicContact CG-CD2 4.18Å; L275-Y279 HydrophobicContact CG-CE2 3.61Å; L275-Y279 PolarHBondContact O-N 2.87Å; L275-T291 HydrophobicContact CB-CG2 4.37Å; L275-T291 HydrophobicContact CD2-CG2 4.27Å; L275-T291 HydrophobicContact CG-CG2 4.29Å
276	A	97.7	Very high	96.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.3	-38.6	175.6	0	0	0	0	0	112.2	H272 G273 N274 V278 Y279 Y280 T291 Y292	H272-A276 WeakPolarHBondContact O-CB 3.3Å; H272-A276 PolarHBondContact O-N 3.39Å; G273-A276 WeakPolarHBondContact O-CB 3.47Å; G273-A276 PolarHBondContact O-N 3.24Å; N274-A276 VanDerWaalsContact C-N 3.34Å; A276-V278 VanDerWaalsContact C-N 3.3Å; A276-V278 PolarHBondContact O-N 3.35Å; A276-Y279 PolarHBondContact O-N 3.15Å; A276-Y280 WeakPolarHBondContact O-CB 3.45Å; A276-Y280 PolarHBondContact O-N 3.01Å; A276-T291 HydrophobicContact CB-CG2 3.86Å; A276-Y292 HydrophobicContact CB-CD1 3.39Å; A276-Y292 HydrophobicContact CB-CD2 3.82Å; A276-Y292 HydrophobicContact CB-CE1 3.37Å; A276-Y292 HydrophobicContact CB-CE2 3.81Å; A276-Y292 HydrophobicContact CB-CG 3.59Å
277	C	96.8	Very high	96.1	Very high	17 Å²	17	45.4 Å²	45.4	12%	0.115	23%	0.234	C	C	.	.	H	α-helix	trans	-60.2	-39.3	172.2	-64.2	0	0	0	0	112.2	G273 N274 L275 Y280 E281 Y292	G273-C277 PolarHBondContact O-N 3.28Å; G273-C277 VanDerWaalsContact O-N 3.08Å; G273-C277 PolarHBondContact O-SG 2.94Å; N274-C277 WeakPolarHBondContact O-CB 3.39Å; N274-C277 PolarHBondContact O-N 2.97Å; L275-C277 VanDerWaalsContact C-N 3.3Å; L275-C277 PolarHBondContact O-N 3.19Å; C277-Y280 PolarHBondContact O-N 3.05Å; C277-E281 WeakPolarHBondContact O-CG 3.4Å; C277-E281 PolarHBondContact O-N 2.83Å; C277-Y292 WeakPolarHBondContact CA-OH 3.45Å; C277-Y292 PolarHBondContact N-OH 3.08Å; C277-Y292 PolarHBondContact SG-OH 3.48Å
278	V	97.3	Very high	96.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.9	-42.7	176.1	179.1	0	0	0	0	111.1	K246 F251 A254 V255 Y258 N274 L275 A276 Y280 E281 Q282	K246-V278 HydrophobicContact CB-CG2 4.13Å; K246-V278 HydrophobicContact CD-CG2 4.09Å; K246-V278 HydrophobicContact CG-CG2 3.94Å; F251-V278 HydrophobicContact CB-CG1 3.66Å; F251-V278 HydrophobicContact CD1-CG1 3.67Å; F251-V278 HydrophobicContact CD1-CG2 4.49Å; F251-V278 HydrophobicContact CG-CG1 3.92Å; A254-V278 HydrophobicContact CB-CG2 4.29Å; V255-V278 HydrophobicContact CG2-CB 4.33Å; V255-V278 HydrophobicContact CG2-CG1 3.61Å; Y258-V278 HydrophobicContact CD2-CG2 4.42Å; Y258-V278 HydrophobicContact CE2-CG2 3.91Å; N274-V278 PolarHBondContact O-N 2.96Å; L275-V278 WeakPolarHBondContact O-CB 3.32Å; L275-V278 PolarHBondContact O-N 3.24Å; A276-V278 VanDerWaalsContact C-N 3.3Å; A276-V278 PolarHBondContact O-N 3.35Å; V278-Y280 VanDerWaalsContact C-N 3.3Å; V278-Y280 PolarHBondContact O-N 3.11Å; V278-E281 PolarHBondContact O-N 3.31Å; V278-Q282 HydrophobicContact CG1-CG 4.48Å; V278-Q282 WeakPolarHBondContact O-CG 3.31Å; V278-Q282 PolarHBondContact O-N 3.14Å
279	Y	97.6	Very high	96.3	Very high	34 Å²	34	38.8 Å²	38.8	13%	0.133	20%	0.199	C	C	.	.	H	α-helix	trans	-61.4	-39	174.7	-68.3	-35.1	0	0	0	112.6	V255 L275 A276 Q282 N283 L284 L287	V255-Y279 HydrophobicContact CG1-CE1 4.32Å; V255-Y279 HydrophobicContact CG2-CE1 4.1Å; L275-Y279 HydrophobicContact CD1-CE1 4.19Å; L275-Y279 HydrophobicContact CD1-CE2 3.92Å; L275-Y279 HydrophobicContact CD2-CE2 3.98Å; L275-Y279 HydrophobicContact CG-CD2 4.18Å; L275-Y279 HydrophobicContact CG-CE2 3.61Å; L275-Y279 PolarHBondContact O-N 2.87Å; A276-Y279 PolarHBondContact O-N 3.15Å; Y279-Q282 PolarHBondContact O-N 2.77Å; Y279-N283 PolarHBondContact O-N 2.54Å; Y279-L284 HydrophobicContact CD1-CD1 4.02Å; Y279-L284 WeakPolarHBondContact O-CA 3.14Å; Y279-L284 WeakPolarHBondContact O-CB 3.37Å; Y279-L284 PolarHBondContact O-N 3.12Å; Y279-L287 HydrophobicContact CD2-CB 3.94Å; Y279-L287 HydrophobicContact CE2-CB 4.38Å; Y279-L287 HydrophobicContact CG-CB 4.08Å
280	Y	96.2	Very high	96.4	Very high	59 Å²	59	43.3 Å²	43.3	23%	0.231	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-48.5	175.2	-179.7	-94.5	0	0	0	111.5	A276 C277 V278 Q282 N283 I285 N311 A312 E315	A276-Y280 WeakPolarHBondContact O-CB 3.45Å; A276-Y280 PolarHBondContact O-N 3.01Å; C277-Y280 PolarHBondContact O-N 3.05Å; V278-Y280 VanDerWaalsContact C-N 3.3Å; V278-Y280 PolarHBondContact O-N 3.11Å; Y280-Q282 VanDerWaalsContact C-N 3.29Å; Y280-Q282 PolarHBondContact O-N 2.81Å; Y280-N283 WeakPolarHBondContact O-CA 3.31Å; Y280-N283 PolarHBondContact O-N 2.84Å; Y280-I285 HydrophobicContact CD2-CD1 3.96Å; Y280-I285 HydrophobicContact CE2-CD1 4.16Å; Y280-N311 HydrophobicContact CE2-CB 4.42Å; Y280-A312 HydrophobicContact CD2-CB 3.84Å; Y280-A312 HydrophobicContact CE2-CB 4.07Å; Y280-E315 HydrophobicContact CE2-CG 4.11Å; Y280-E315 WeakPolarHBondContact OH-CG 3.38Å
281	E	93.7	Very high	96.6	Very high	103 Å²	103	41.1 Å²	41.1	48%	0.481	21%	0.209	S	C	.	.	H	α-helix	trans	-64.8	-29.8	178.3	-69.3	-74.5	171.4	0	0	113.3	F251 C277 V278 N283	F251-E281 HydrophobicContact CE1-CB 4Å; F251-E281 HydrophobicContact CE1-CG 4.47Å; F251-E281 HydrophobicContact CE2-CB 4.06Å; F251-E281 HydrophobicContact CZ-CB 3.58Å; F251-E281 HydrophobicContact CZ-CG 4.24Å; C277-E281 WeakPolarHBondContact O-CG 3.4Å; C277-E281 PolarHBondContact O-N 2.83Å; V278-E281 PolarHBondContact O-N 3.31Å; E281-N283 PolarHBondContact O-N 3.05Å
282	Q	94.2	Very high	96.6	Very high	58 Å²	58	41.3 Å²	41.3	27%	0.271	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	4.2	171.8	-69.3	-176.2	-53.5	0	0	113.4	F251 D252 V278 Y279 Y280 L284	F251-Q282 HydrophobicContact CB-CG 3.79Å; F251-Q282 VanDerWaalsContact CB-NE2 3.31Å; F251-Q282 HydrophobicContact CD2-CG 3.71Å; F251-Q282 HydrophobicContact CG-CG 3.91Å; D252-Q282 PolarHBondContact OD1-NE2 3.28Å; V278-Q282 HydrophobicContact CG1-CG 4.48Å; V278-Q282 WeakPolarHBondContact O-CG 3.31Å; V278-Q282 PolarHBondContact O-N 3.14Å; Y279-Q282 PolarHBondContact O-N 2.77Å; Y280-Q282 VanDerWaalsContact C-N 3.29Å; Y280-Q282 PolarHBondContact O-N 2.81Å; Q282-L284 HydrophobicContact CB-CD1 4.14Å; Q282-L284 HydrophobicContact CB-CG 4.17Å; Q282-L284 PolarHBondContact O-N 3.07Å
283	N	93.2	Very high	96.6	Very high	123 Å²	123	44 Å²	44	66%	0.658	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	24.2	-176.1	-163.9	41.1	0	0	0	114	Y279 Y280 E281 I285	Y279-N283 PolarHBondContact O-N 2.54Å; Y280-N283 WeakPolarHBondContact O-CA 3.31Å; Y280-N283 PolarHBondContact O-N 2.84Å; E281-N283 PolarHBondContact O-N 3.05Å; N283-I285 VanDerWaalsContact C-N 3.28Å; N283-I285 PolarHBondContact O-N 3.39Å
284	L	95	Very high	96.6	Very high	75 Å²	75	48.4 Å²	48.4	39%	0.393	24%	0.237	S	C	.	.			trans	-89.8	63.9	174.1	-62.3	172.9	0	0	0	109.6	Y279 Q282 D286 L287 A288	Y279-L284 HydrophobicContact CD1-CD1 4.02Å; Y279-L284 WeakPolarHBondContact O-CA 3.14Å; Y279-L284 WeakPolarHBondContact O-CB 3.37Å; Y279-L284 PolarHBondContact O-N 3.12Å; Q282-L284 HydrophobicContact CB-CD1 4.14Å; Q282-L284 HydrophobicContact CB-CG 4.17Å; Q282-L284 PolarHBondContact O-N 3.07Å; L284-D286 PolarHBondContact O-N 2.82Å; L284-L287 HydrophobicContact CB-CB 4.33Å; L284-L287 HydrophobicContact CB-CD1 4.23Å; L284-L287 HydrophobicContact CD1-CD1 4.19Å; L284-L287 PolarHBondContact O-N 3.24Å; L284-A288 PolarHBondContact O-N 3.33Å
285	I	95.2	Very high	96.7	Very high	26 Å²	26	46.8 Å²	46.8	13%	0.133	23%	0.228	C	C	.	.	H	α-helix	trans	-59.8	-40.1	-166.5	-54.5	-55.7	0	0	0	113.2	Y280 N283 A288 I289 A312 K316	Y280-I285 HydrophobicContact CD2-CD1 3.96Å; Y280-I285 HydrophobicContact CE2-CD1 4.16Å; N283-I285 VanDerWaalsContact C-N 3.28Å; N283-I285 PolarHBondContact O-N 3.39Å; I285-A288 WeakPolarHBondContact O-CB 3.48Å; I285-A288 PolarHBondContact O-N 3.07Å; I285-I289 HydrophobicContact CG2-CD1 3.93Å; I285-I289 HydrophobicContact CG2-CG1 4.47Å; I285-I289 VanDerWaalsContact O-CG1 3.31Å; I285-I289 WeakPolarHBondContact O-CG1 3.32Å; I285-I289 PolarHBondContact O-N 2.89Å; I285-A312 HydrophobicContact CG2-CB 4.38Å; I285-A312 WeakPolarHBondContact CG2-O 3.43Å; I285-K316 HydrophobicContact CG2-CB 4.31Å
286	D	96.6	Very high	96.6	Very high	94 Å²	94	47.6 Å²	47.6	50%	0.503	23%	0.232	S	C	.	.	H	α-helix	trans	-65.2	-44.7	179.3	-70.6	-39.1	0	0	0	112.1	L284 A288 I289 D290 K316	L284-D286 PolarHBondContact O-N 2.82Å; D286-A288 VanDerWaalsContact C-N 3.32Å; D286-A288 PolarHBondContact O-N 3.34Å; D286-I289 PolarHBondContact O-N 3.38Å; D286-D290 PolarHBondContact O-N 3.46Å; D286-K316 WeakPolarHBondContact OD1-CE 3.4Å; D286-K316 IonicContact OD1-NZ 3.94Å; D286-K316 PolarHBondContact OD1-NZ 2.97Å
287	L	96	Very high	96.6	Very high	84 Å²	84	53.7 Å²	53.7	44%	0.44	26%	0.261	S	S	.	.	H	α-helix	trans	-64.1	-39.4	175.5	-71.9	172.5	0	0	0	111.4	Y279 L284 T291	Y279-L287 HydrophobicContact CD2-CB 3.94Å; Y279-L287 HydrophobicContact CE2-CB 4.38Å; Y279-L287 HydrophobicContact CG-CB 4.08Å; L284-L287 HydrophobicContact CB-CB 4.33Å; L284-L287 HydrophobicContact CB-CD1 4.23Å; L284-L287 HydrophobicContact CD1-CD1 4.19Å; L284-L287 PolarHBondContact O-N 3.24Å; L287-T291 VanDerWaalsContact O-CB 3.25Å; L287-T291 WeakPolarHBondContact O-CB 3.49Å; L287-T291 PolarHBondContact O-N 2.76Å; L287-T291 PolarHBondContact O-OG1 3.01Å
288	A	97.8	Very high	96.6	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.8	-48.4	175.2	0	0	0	0	0	111.2	L284 I285 D286 D290 T291 Y292	L284-A288 PolarHBondContact O-N 3.33Å; I285-A288 WeakPolarHBondContact O-CB 3.48Å; I285-A288 PolarHBondContact O-N 3.07Å; D286-A288 VanDerWaalsContact C-N 3.32Å; D286-A288 PolarHBondContact O-N 3.34Å; A288-D290 PolarHBondContact O-N 2.82Å; A288-T291 PolarHBondContact O-N 2.89Å; A288-Y292 HydrophobicContact CB-CD2 4.43Å; A288-Y292 HydrophobicContact CB-CE2 4.18Å; A288-Y292 WeakPolarHBondContact O-CB 3.45Å; A288-Y292 WeakPolarHBondContact O-CD2 3.39Å; A288-Y292 PolarHBondContact O-N 3.44Å
289	I	97.9	Very high	96.6	Very high	7 Å²	7	58.9 Å²	58.9	4%	0.036	29%	0.285	C	S	.	.	H	α-helix	trans	-58.1	-50.7	179	-72.9	167	0	0	0	111.4	I285 D286 T291 Y292 K293 L309 A312 L313 K316	I285-I289 HydrophobicContact CG2-CD1 3.93Å; I285-I289 HydrophobicContact CG2-CG1 4.47Å; I285-I289 VanDerWaalsContact O-CG1 3.31Å; I285-I289 WeakPolarHBondContact O-CG1 3.32Å; I285-I289 PolarHBondContact O-N 2.89Å; D286-I289 PolarHBondContact O-N 3.38Å; I289-T291 VanDerWaalsContact C-N 3.33Å; I289-T291 PolarHBondContact O-N 2.83Å; I289-Y292 PolarHBondContact O-N 2.98Å; I289-K293 HydrophobicContact CG2-CD 4.36Å; I289-K293 WeakPolarHBondContact O-CG 3.39Å; I289-K293 PolarHBondContact O-N 3.26Å; I289-L309 HydrophobicContact CB-CD1 4.16Å; I289-L309 HydrophobicContact CG1-CD1 4.09Å; I289-L309 HydrophobicContact CG2-CD1 3.89Å; I289-A312 HydrophobicContact CD1-CB 4.45Å; I289-A312 HydrophobicContact CG1-CB 3.75Å; I289-L313 HydrophobicContact CD1-CD2 4.03Å; I289-L313 HydrophobicContact CG1-CD2 4.46Å; I289-K316 HydrophobicContact CD1-CB 4.5Å; I289-K316 HydrophobicContact CD1-CD 3.74Å
290	D	97.7	Very high	96.5	Very high	100 Å²	100	61.2 Å²	61.2	54%	0.535	30%	0.304	S	S	.	.	H	α-helix	trans	-66.2	-37.9	-177.6	-70.9	-19.6	0	0	0	111.6	D286 A288 K293 R294	D286-D290 PolarHBondContact O-N 3.46Å; A288-D290 PolarHBondContact O-N 2.82Å; D290-K293 PolarHBondContact O-N 2.92Å; D290-R294 PolarHBondContact O-N 3.36Å
291	T	98	Very high	96.4	Very high	18 Å²	18	63.2 Å²	63.2	11%	0.11	32%	0.318	C	S	.	.	H	α-helix	trans	-70.8	-37.8	178.3	-49.4	0	0	0	0	111.7	H272 L275 A276 L287 A288 I289 R294 A295	H272-T291 HydrophobicContact CB-CG2 4.3Å; H272-T291 VanDerWaalsContact O-CG2 3.26Å; H272-T291 WeakPolarHBondContact O-CG2 3.11Å; L275-T291 HydrophobicContact CB-CG2 4.37Å; L275-T291 HydrophobicContact CD2-CG2 4.27Å; L275-T291 HydrophobicContact CG-CG2 4.29Å; A276-T291 HydrophobicContact CB-CG2 3.86Å; L287-T291 VanDerWaalsContact O-CB 3.25Å; L287-T291 WeakPolarHBondContact O-CB 3.49Å; L287-T291 PolarHBondContact O-N 2.76Å; L287-T291 PolarHBondContact O-OG1 3.01Å; A288-T291 PolarHBondContact O-N 2.89Å; I289-T291 VanDerWaalsContact C-N 3.33Å; I289-T291 PolarHBondContact O-N 2.83Å; T291-R294 WeakPolarHBondContact O-CB 3.46Å; T291-R294 PolarHBondContact O-N 3.44Å; T291-A295 PolarHBondContact O-N 2.95Å
292	Y	98.2	Very high	96.5	Very high	4 Å²	4	59.6 Å²	59.6	2%	0.016	30%	0.301	C	S	.	.	H	α-helix	trans	-64	-42.3	172.2	-77.5	-54.1	0	0	0	112.2	A276 C277 A288 I289 R294 A295 I296 N308 L309	A276-Y292 HydrophobicContact CB-CD1 3.39Å; A276-Y292 HydrophobicContact CB-CD2 3.82Å; A276-Y292 HydrophobicContact CB-CE1 3.37Å; A276-Y292 HydrophobicContact CB-CE2 3.81Å; A276-Y292 HydrophobicContact CB-CG 3.59Å; C277-Y292 WeakPolarHBondContact CA-OH 3.45Å; C277-Y292 PolarHBondContact N-OH 3.08Å; C277-Y292 PolarHBondContact SG-OH 3.48Å; A288-Y292 HydrophobicContact CB-CD2 4.43Å; A288-Y292 HydrophobicContact CB-CE2 4.18Å; A288-Y292 WeakPolarHBondContact O-CB 3.45Å; A288-Y292 WeakPolarHBondContact O-CD2 3.39Å; A288-Y292 PolarHBondContact O-N 3.44Å; I289-Y292 PolarHBondContact O-N 2.98Å; Y292-R294 VanDerWaalsContact C-N 3.27Å; Y292-R294 PolarHBondContact O-N 2.87Å; Y292-A295 WeakPolarHBondContact O-CB 3.47Å; Y292-A295 PolarHBondContact O-N 3.25Å; Y292-A295 VanDerWaalsContact O-N 3.15Å; Y292-I296 WeakPolarHBondContact O-CG1 3.01Å; Y292-I296 PolarHBondContact O-N 2.9Å; Y292-N308 HydrophobicContact CD1-CB 4.31Å; Y292-N308 HydrophobicContact CE1-CB 3.55Å; Y292-N308 HydrophobicContact CE2-CB 3.99Å; Y292-N308 WeakPolarHBondContact OH-CB 3.32Å; Y292-L309 HydrophobicContact CD2-CB 4.31Å; Y292-L309 HydrophobicContact CG-CB 4.21Å
293	K	97.9	Very high	96.5	Very high	81 Å²	81	57.8 Å²	57.8	35%	0.352	30%	0.295	S	S	.	.	H	α-helix	trans	-58.5	-42.9	174.5	-75.6	175.9	176.4	178.1	0	111.1	I289 D290 A295 I296 E297 L309	I289-K293 HydrophobicContact CG2-CD 4.36Å; I289-K293 WeakPolarHBondContact O-CG 3.39Å; I289-K293 PolarHBondContact O-N 3.26Å; D290-K293 PolarHBondContact O-N 2.92Å; K293-A295 VanDerWaalsContact C-N 3.33Å; K293-A295 PolarHBondContact O-N 2.87Å; K293-I296 PolarHBondContact O-N 2.79Å; K293-I296 VanDerWaalsContact O-N 3.16Å; K293-E297 WeakPolarHBondContact O-CG 2.98Å; K293-E297 PolarHBondContact O-N 2.74Å; K293-L309 HydrophobicContact CG-CD2 4.06Å
294	R	97.6	Very high	96.6	Very high	96 Å²	96	55.8 Å²	55.8	36%	0.362	28%	0.284	S	S	.	.	H	α-helix	trans	-60.7	-42	175.2	-175.2	57.1	177.6	176	2.6	112.4	D290 T291 Y292 I296 E297 L298	D290-R294 PolarHBondContact O-N 3.36Å; T291-R294 WeakPolarHBondContact O-CB 3.46Å; T291-R294 PolarHBondContact O-N 3.44Å; Y292-R294 VanDerWaalsContact C-N 3.27Å; Y292-R294 PolarHBondContact O-N 2.87Å; R294-I296 VanDerWaalsContact C-N 3.31Å; R294-I296 PolarHBondContact O-N 3.16Å; R294-E297 IonicContact NH1-OE2 3.76Å; R294-E297 PolarHBondContact NH1-OE2 2.83Å; R294-E297 VanDerWaalsContact NH1-OE2 3.11Å; R294-E297 PolarHBondContact O-N 3.42Å; R294-L298 HydrophobicContact CG-CD1 4.14Å; R294-L298 VanDerWaalsContact O-CG 3.26Å; R294-L298 WeakPolarHBondContact O-CG 3.28Å; R294-L298 PolarHBondContact O-N 2.82Å; R294-L298 VanDerWaalsContact O-N 3.13Å
295	A	97.5	Very high	96.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.6	-42.7	174.6	0	0	0	0	0	111.9	A269 H272 T291 Y292 K293 L298 Q299 F302	A269-A295 WeakPolarHBondContact CB-O 3.5Å; A269-A295 WeakPolarHBondContact O-CB 3.34Å; H272-A295 HydrophobicContact CB-CB 3.8Å; T291-A295 PolarHBondContact O-N 2.95Å; Y292-A295 WeakPolarHBondContact O-CB 3.47Å; Y292-A295 PolarHBondContact O-N 3.25Å; Y292-A295 VanDerWaalsContact O-N 3.15Å; K293-A295 VanDerWaalsContact C-N 3.33Å; K293-A295 PolarHBondContact O-N 2.87Å; A295-L298 PolarHBondContact O-N 2.82Å; A295-Q299 PolarHBondContact O-N 3.34Å; A295-F302 HydrophobicContact CB-CD1 4.38Å; A295-F302 HydrophobicContact CB-CE1 4.3Å
296	I	97.1	Very high	96.8	Very high	20 Å²	20	52.5 Å²	52.5	10%	0.103	27%	0.265	C	S	.	.	H	α-helix	trans	-68.9	-40.3	178.9	-68.2	165.9	0	0	0	112.1	Y292 K293 R294 L298 Q299 P300 A305 Y306 L309	Y292-I296 WeakPolarHBondContact O-CG1 3.01Å; Y292-I296 PolarHBondContact O-N 2.9Å; K293-I296 PolarHBondContact O-N 2.79Å; K293-I296 VanDerWaalsContact O-N 3.16Å; R294-I296 VanDerWaalsContact C-N 3.31Å; R294-I296 PolarHBondContact O-N 3.16Å; I296-L298 VanDerWaalsContact C-N 3.28Å; I296-L298 PolarHBondContact O-N 3.32Å; I296-Q299 CarbonylContact O-C 3.29Å; I296-Q299 PolarHBondContact O-N 3.33Å; I296-P300 WeakPolarHBondContact O-CA 3.35Å; I296-P300 VanDerWaalsContact O-N 3.1Å; I296-A305 HydrophobicContact CD1-CB 4.34Å; I296-A305 HydrophobicContact CG1-CB 3.82Å; I296-Y306 HydrophobicContact CD1-CD1 4.08Å; I296-Y306 HydrophobicContact CD1-CD2 4.19Å; I296-Y306 HydrophobicContact CD1-CE1 4.17Å; I296-Y306 HydrophobicContact CD1-CE2 4.3Å; I296-Y306 HydrophobicContact CD1-CG 4.06Å; I296-Y306 HydrophobicContact CG1-CD2 4.18Å; I296-Y306 HydrophobicContact CG1-CE2 4.02Å; I296-Y306 HydrophobicContact CG2-CE1 3.97Å; I296-Y306 HydrophobicContact CG2-CE2 3.82Å; I296-Y306 VanDerWaalsContact CG2-OH 3.24Å; I296-Y306 WeakPolarHBondContact CG2-OH 3.38Å; I296-L309 HydrophobicContact CD1-CD2 3.67Å
297	E	97.4	Very high	96.8	Very high	129 Å²	129	48.1 Å²	48.1	60%	0.603	24%	0.242	S	C	*	.	H	α-helix	trans	-59.2	-41.6	174.7	-76.2	173.3	-174.2	0	0	111.8	K293 R294	K293-E297 WeakPolarHBondContact O-CG 2.98Å; K293-E297 PolarHBondContact O-N 2.74Å; R294-E297 IonicContact NH1-OE2 3.76Å; R294-E297 PolarHBondContact NH1-OE2 2.83Å; R294-E297 VanDerWaalsContact NH1-OE2 3.11Å; R294-E297 PolarHBondContact O-N 3.42Å
298	L	96.8	Very high	96.9	Very high	49 Å²	49	46.4 Å²	46.4	26%	0.257	23%	0.233	S	C	.	.	H	α-helix	trans	-73.7	-34.6	179	-68.4	169.9	0	0	0	112	N267 A269 H272 R294 A295 I296	N267-L298 HydrophobicContact CB-CD2 3.8Å; A269-L298 HydrophobicContact CB-CB 3.81Å; H272-L298 WeakPolarHBondContact CD2-CD1 3.49Å; R294-L298 HydrophobicContact CG-CD1 4.14Å; R294-L298 VanDerWaalsContact O-CG 3.26Å; R294-L298 WeakPolarHBondContact O-CG 3.28Å; R294-L298 PolarHBondContact O-N 2.82Å; R294-L298 VanDerWaalsContact O-N 3.13Å; A295-L298 PolarHBondContact O-N 2.82Å; I296-L298 VanDerWaalsContact C-N 3.28Å; I296-L298 PolarHBondContact O-N 3.32Å
299	Q	96.4	Very high	96.9	Very high	77 Å²	77	46.4 Å²	46.4	36%	0.36	23%	0.233	S	C	.	.			trans	-138.4	92.7	178.3	-173.6	175.2	-15.1	0	0	111	A269 A295 I296 N301 F302	A269-Q299 HydrophobicContact CB-CB 3.45Å; A269-Q299 VanDerWaalsContact CB-CB 3.45Å; A295-Q299 PolarHBondContact O-N 3.34Å; I296-Q299 CarbonylContact O-C 3.29Å; I296-Q299 PolarHBondContact O-N 3.33Å; Q299-N301 PolarHBondContact NE2-O 2.92Å; Q299-N301 PolarHBondContact O-N 2.91Å; Q299-F302 HydrophobicContact CB-CB 4.45Å; Q299-F302 HydrophobicContact CG-CB 4.21Å; Q299-F302 VanDerWaalsContact O-CB 3.3Å; Q299-F302 WeakPolarHBondContact O-CB 3.37Å
300	P	95.6	Very high	96.9	Very high	82 Å²	82	46.1 Å²	46.1	53%	0.532	23%	0.232	S	C	.	.	S	Bend	trans	-64.1	-25	-177.7	-27.9	36.5	0	0	0	114.8	I296 F302 Y306	I296-P300 WeakPolarHBondContact O-CA 3.35Å; I296-P300 VanDerWaalsContact O-N 3.1Å; P300-F302 PolarHBondContact O-N 2.8Å; P300-Y306 VanDerWaalsContact O-CE2 3.26Å; P300-Y306 WeakPolarHBondContact O-CE2 3.44Å; P300-Y306 PolarHBondContact O-OH 2.53Å
301	N	95.1	Very high	96.8	Very high	101 Å²	101	42.9 Å²	42.9	54%	0.54	21%	0.214	S	C	.	.			trans	-95.4	70	175	-170.4	21	0	0	0	110.5	Q299	Q299-N301 PolarHBondContact NE2-O 2.92Å; Q299-N301 PolarHBondContact O-N 2.91Å
302	F	95.3	Very high	96.8	Very high	27 Å²	27	42 Å²	42	12%	0.118	21%	0.209	C	C	.	.			trans	-136.1	74.6	-177.4	-166.7	179.9	0	0	0	112.4	A295 Q299 P300 D304 A305 Y306	A295-F302 HydrophobicContact CB-CD1 4.38Å; A295-F302 HydrophobicContact CB-CE1 4.3Å; Q299-F302 HydrophobicContact CB-CB 4.45Å; Q299-F302 HydrophobicContact CG-CB 4.21Å; Q299-F302 VanDerWaalsContact O-CB 3.3Å; Q299-F302 WeakPolarHBondContact O-CB 3.37Å; P300-F302 PolarHBondContact O-N 2.8Å; F302-D304 VanDerWaalsContact C-N 3.33Å; F302-D304 HydrophobicContact CD2-CB 4.33Å; F302-D304 HydrophobicContact CE2-CB 3.98Å; F302-D304 PolarHBondContact O-N 3.17Å; F302-A305 HydrophobicContact CB-CB 4.19Å; F302-A305 HydrophobicContact CD1-CB 3.56Å; F302-A305 HydrophobicContact CD2-CB 4.14Å; F302-A305 HydrophobicContact CE1-CB 3.92Å; F302-A305 HydrophobicContact CE2-CB 4.45Å; F302-A305 HydrophobicContact CG-CB 3.68Å; F302-A305 HydrophobicContact CZ-CB 4.35Å; F302-A305 WeakPolarHBondContact O-CB 2.99Å; F302-A305 PolarHBondContact O-N 3.14Å; F302-Y306 VanDerWaalsContact O-CD2 3.28Å; F302-Y306 WeakPolarHBondContact O-CD2 3.28Å; F302-Y306 PolarHBondContact O-N 3.01Å
303	P	95	Very high	96.7	Very high	21 Å²	21	42 Å²	42	14%	0.136	21%	0.209	C	C	.	.	H	α-helix	trans	-50.4	-44.2	-172.3	-26.3	32.5	0	0	0	115.1	A305 Y306 C307 L332 C333	P303-A305 VanDerWaalsContact C-N 3.29Å; P303-A305 PolarHBondContact O-N 3.02Å; P303-Y306 WeakPolarHBondContact O-CB 3.27Å; P303-Y306 PolarHBondContact O-N 3.21Å; P303-Y306 VanDerWaalsContact O-N 3.15Å; P303-C307 PolarHBondContact O-N 2.84Å; P303-L332 HydrophobicContact CG-CB 3.88Å; P303-C333 HydrophobicContact CB-CB 3.99Å; P303-C333 HydrophobicContact CG-CB 3.71Å
304	D	94.7	Very high	96.5	Very high	81 Å²	81	40.5 Å²	40.5	43%	0.433	20%	0.203	S	C	.	.	H	α-helix	trans	-60.8	-38.4	-179.2	-55.7	-9.1	0	0	0	112	F302 C307 N308 H336	F302-D304 VanDerWaalsContact C-N 3.33Å; F302-D304 HydrophobicContact CD2-CB 4.33Å; F302-D304 HydrophobicContact CE2-CB 3.98Å; F302-D304 PolarHBondContact O-N 3.17Å; D304-C307 PolarHBondContact O-N 3.02Å; D304-N308 WeakPolarHBondContact O-CB 3.46Å; D304-N308 VanDerWaalsContact O-CG 3.28Å; D304-N308 PolarHBondContact O-N 3.43Å; D304-N308 PolarHBondContact O-ND2 3.5Å; D304-N308 VanDerWaalsContact O-ND2 3.12Å; D304-H336 IonicContact OD1-CD2 3.08Å; D304-H336 IonicContact OD1-NE2 2.91Å; D304-H336 PolarHBondContact OD1-NE2 2.76Å; D304-H336 VanDerWaalsContact OD1-NE2 3.12Å
305	A	96	Very high	96.2	Very high	2 Å²	2	41.9 Å²	41.9	2%	0.017	21%	0.213	C	C	.	.	H	α-helix	trans	-67.1	-39	177.4	0	0	0	0	0	111.6	I296 F302 P303 L309	I296-A305 HydrophobicContact CD1-CB 4.34Å; I296-A305 HydrophobicContact CG1-CB 3.82Å; F302-A305 HydrophobicContact CB-CB 4.19Å; F302-A305 HydrophobicContact CD1-CB 3.56Å; F302-A305 HydrophobicContact CD2-CB 4.14Å; F302-A305 HydrophobicContact CE1-CB 3.92Å; F302-A305 HydrophobicContact CE2-CB 4.45Å; F302-A305 HydrophobicContact CG-CB 3.68Å; F302-A305 HydrophobicContact CZ-CB 4.35Å; F302-A305 WeakPolarHBondContact O-CB 2.99Å; F302-A305 PolarHBondContact O-N 3.14Å; P303-A305 VanDerWaalsContact C-N 3.29Å; P303-A305 PolarHBondContact O-N 3.02Å; A305-L309 WeakPolarHBondContact O-CB 3.42Å; A305-L309 PolarHBondContact O-N 3.26Å
306	Y	98	Very high	95.9	Very high	30 Å²	30	46.8 Å²	46.8	12%	0.118	23%	0.234	C	C	.	.	H	α-helix	trans	-63.9	-44.3	172.6	-74.8	-93.2	0	0	0	111.5	I296 P300 F302 P303 A310 Y325 T328 L332	I296-Y306 HydrophobicContact CD1-CD1 4.08Å; I296-Y306 HydrophobicContact CD1-CD2 4.19Å; I296-Y306 HydrophobicContact CD1-CE1 4.17Å; I296-Y306 HydrophobicContact CD1-CE2 4.3Å; I296-Y306 HydrophobicContact CD1-CG 4.06Å; I296-Y306 HydrophobicContact CG1-CD2 4.18Å; I296-Y306 HydrophobicContact CG1-CE2 4.02Å; I296-Y306 HydrophobicContact CG2-CE1 3.97Å; I296-Y306 HydrophobicContact CG2-CE2 3.82Å; I296-Y306 VanDerWaalsContact CG2-OH 3.24Å; I296-Y306 WeakPolarHBondContact CG2-OH 3.38Å; P300-Y306 VanDerWaalsContact O-CE2 3.26Å; P300-Y306 WeakPolarHBondContact O-CE2 3.44Å; P300-Y306 PolarHBondContact O-OH 2.53Å; F302-Y306 VanDerWaalsContact O-CD2 3.28Å; F302-Y306 WeakPolarHBondContact O-CD2 3.28Å; F302-Y306 PolarHBondContact O-N 3.01Å; P303-Y306 WeakPolarHBondContact O-CB 3.27Å; P303-Y306 PolarHBondContact O-N 3.21Å; P303-Y306 VanDerWaalsContact O-N 3.15Å; Y306-A310 WeakPolarHBondContact O-CB 3.19Å; Y306-A310 PolarHBondContact O-N 3.25Å; Y306-Y325 AromaticContact CD1-CD1 3.68Å; Y306-Y325 HydrophobicContact CD1-CD1 3.68Å; Y306-Y325 HydrophobicContact CD1-CE1 4.33Å; Y306-Y325 HydrophobicContact CE1-CD1 4.25Å; Y306-Y325 HydrophobicContact CE1-CE1 4.48Å; Y306-T328 HydrophobicContact CD1-CG2 3.53Å; Y306-T328 HydrophobicContact CE1-CG2 3.34Å; Y306-T328 HydrophobicContact CG-CG2 4.26Å; Y306-L332 HydrophobicContact CD2-CD1 3.72Å; Y306-L332 HydrophobicContact CE2-CD1 3.51Å
307	C	97.7	Very high	95.6	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.014	26%	0.258	C	S	.	.	H	α-helix	trans	-62.6	-45.9	178.6	-173.9	0	0	0	0	112	P303 D304 A310 N311 A329 S339	P303-C307 PolarHBondContact O-N 2.84Å; D304-C307 PolarHBondContact O-N 3.02Å; C307-A310 WeakPolarHBondContact O-CB 3.46Å; C307-A310 PolarHBondContact O-N 2.83Å; C307-N311 PolarHBondContact O-N 3.01Å; C307-A329 HydrophobicContact CB-CB 4.46Å; C307-S339 VanDerWaalsContact CB-OG 3.26Å; C307-S339 WeakPolarHBondContact CB-OG 3.41Å; C307-S339 PolarHBondContact SG-OG 2.83Å
308	N	97.2	Very high	95.4	Very high	48 Å²	48	46 Å²	46	26%	0.257	25%	0.245	S	C	.	.	H	α-helix	trans	-73.2	-33.7	-179.4	-68.4	-34.4	0	0	0	112.8	Y292 D304 A310 N311 A312	Y292-N308 HydrophobicContact CD1-CB 4.31Å; Y292-N308 HydrophobicContact CE1-CB 3.55Å; Y292-N308 HydrophobicContact CE2-CB 3.99Å; Y292-N308 WeakPolarHBondContact OH-CB 3.32Å; D304-N308 WeakPolarHBondContact O-CB 3.46Å; D304-N308 VanDerWaalsContact O-CG 3.28Å; D304-N308 PolarHBondContact O-N 3.43Å; D304-N308 PolarHBondContact O-ND2 3.5Å; D304-N308 VanDerWaalsContact O-ND2 3.12Å; N308-A310 VanDerWaalsContact C-N 3.3Å; N308-A310 PolarHBondContact O-N 3.3Å; N308-N311 WeakPolarHBondContact O-CB 3.21Å; N308-N311 PolarHBondContact O-N 3.33Å; N308-N311 PolarHBondContact OD1-ND2 3.13Å; N308-A312 PolarHBondContact O-N 3.26Å
309	L	97.8	Very high	95.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.3	-42.8	168.2	176.4	55.1	0	0	0	111.1	I289 Y292 K293 I296 A305 N311 A312 L313 Y325	I289-L309 HydrophobicContact CB-CD1 4.16Å; I289-L309 HydrophobicContact CG1-CD1 4.09Å; I289-L309 HydrophobicContact CG2-CD1 3.89Å; Y292-L309 HydrophobicContact CD2-CB 4.31Å; Y292-L309 HydrophobicContact CG-CB 4.21Å; K293-L309 HydrophobicContact CG-CD2 4.06Å; I296-L309 HydrophobicContact CD1-CD2 3.67Å; A305-L309 WeakPolarHBondContact O-CB 3.42Å; A305-L309 PolarHBondContact O-N 3.26Å; L309-N311 VanDerWaalsContact C-N 3.34Å; L309-N311 PolarHBondContact O-N 3.01Å; L309-A312 PolarHBondContact O-N 2.86Å; L309-L313 HydrophobicContact CD1-CD1 4.06Å; L309-L313 HydrophobicContact CD1-CG 4.08Å; L309-L313 HydrophobicContact CG-CD1 3.93Å; L309-L313 HydrophobicContact CG-CG 4.42Å; L309-L313 WeakPolarHBondContact O-CB 3.26Å; L309-L313 VanDerWaalsContact O-CG 3.3Å; L309-L313 WeakPolarHBondContact O-CG 3.4Å; L309-L313 PolarHBondContact O-N 3.03Å; L309-Y325 HydrophobicContact CD2-CD1 3.62Å; L309-Y325 HydrophobicContact CD2-CE1 3.43Å; L309-Y325 VanDerWaalsContact CD2-CE1 3.43Å; L309-Y325 HydrophobicContact CD2-CE2 4.42Å; L309-Y325 HydrophobicContact CD2-CG 4.25Å; L309-Y325 HydrophobicContact CG-CD1 4.23Å; L309-Y325 HydrophobicContact CG-CE1 4.39Å; L309-Y325 HydrophobicContact CG-CG 4.41Å
310	A	97.6	Very high	95.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-39.9	175.9	0	0	0	0	0	112.2	Y306 C307 N308 L313 K314 A322 Y326	Y306-A310 WeakPolarHBondContact O-CB 3.19Å; Y306-A310 PolarHBondContact O-N 3.25Å; C307-A310 WeakPolarHBondContact O-CB 3.46Å; C307-A310 PolarHBondContact O-N 2.83Å; N308-A310 VanDerWaalsContact C-N 3.3Å; N308-A310 PolarHBondContact O-N 3.3Å; A310-L313 PolarHBondContact O-N 2.95Å; A310-K314 WeakPolarHBondContact O-CB 3.49Å; A310-K314 PolarHBondContact O-N 3.47Å; A310-A322 HydrophobicContact CB-CB 4.27Å; A310-A322 WeakPolarHBondContact CB-O 3.45Å; A310-A322 VanDerWaalsContact O-CB 3.27Å; A310-A322 WeakPolarHBondContact O-CB 3.31Å; A310-Y326 HydrophobicContact CB-CD1 3.64Å; A310-Y326 HydrophobicContact CB-CD2 3.87Å; A310-Y326 HydrophobicContact CB-CE1 3.43Å; A310-Y326 VanDerWaalsContact CB-CE1 3.43Å; A310-Y326 HydrophobicContact CB-CE2 3.66Å; A310-Y326 HydrophobicContact CB-CG 3.83Å; A310-Y326 VanDerWaalsContact CB-CZ 3.41Å
311	N	96.3	Very high	95.1	Very high	33 Å²	33	47.9 Å²	47.9	18%	0.176	25%	0.252	C	S	.	.	H	α-helix	trans	-57.2	-50	172.1	-67.4	-28.6	0	0	0	110.9	Y280 C307 N308 L309 L313 K314 E315 Y326 N342	Y280-N311 HydrophobicContact CE2-CB 4.42Å; C307-N311 PolarHBondContact O-N 3.01Å; N308-N311 WeakPolarHBondContact O-CB 3.21Å; N308-N311 PolarHBondContact O-N 3.33Å; N308-N311 PolarHBondContact OD1-ND2 3.13Å; L309-N311 VanDerWaalsContact C-N 3.34Å; L309-N311 PolarHBondContact O-N 3.01Å; N311-L313 PolarHBondContact O-N 3.07Å; N311-K314 WeakPolarHBondContact O-CB 3.2Å; N311-K314 PolarHBondContact O-N 3.36Å; N311-E315 PolarHBondContact O-N 3.42Å; N311-Y326 PolarHBondContact N-OH 3.16Å; N311-Y326 PolarHBondContact OD1-OH 3.16Å; N311-N342 PolarHBondContact OD1-ND2 3.19Å
312	A	97	Very high	95.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.6	-39.5	178.6	0	0	0	0	0	113.3	Y280 I285 I289 N308 L309 E315 K316	Y280-A312 HydrophobicContact CD2-CB 3.84Å; Y280-A312 HydrophobicContact CE2-CB 4.07Å; I285-A312 HydrophobicContact CG2-CB 4.38Å; I285-A312 WeakPolarHBondContact CG2-O 3.43Å; I289-A312 HydrophobicContact CD1-CB 4.45Å; I289-A312 HydrophobicContact CG1-CB 3.75Å; N308-A312 PolarHBondContact O-N 3.26Å; L309-A312 PolarHBondContact O-N 2.86Å; A312-E315 PolarHBondContact O-N 2.84Å; A312-K316 PolarHBondContact O-N 3.48Å; A312-K316 VanDerWaalsContact O-N 3.11Å
313	L	96.8	Very high	95.2	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-66.2	-38.6	175.2	-72	168.2	0	0	0	111.9	I289 L309 A310 N311 K316 G317 K318 E321 A322 Y325	I289-L313 HydrophobicContact CD1-CD2 4.03Å; I289-L313 HydrophobicContact CG1-CD2 4.46Å; L309-L313 HydrophobicContact CD1-CD1 4.06Å; L309-L313 HydrophobicContact CD1-CG 4.08Å; L309-L313 HydrophobicContact CG-CD1 3.93Å; L309-L313 HydrophobicContact CG-CG 4.42Å; L309-L313 WeakPolarHBondContact O-CB 3.26Å; L309-L313 VanDerWaalsContact O-CG 3.3Å; L309-L313 WeakPolarHBondContact O-CG 3.4Å; L309-L313 PolarHBondContact O-N 3.03Å; A310-L313 PolarHBondContact O-N 2.95Å; N311-L313 PolarHBondContact O-N 3.07Å; L313-K316 PolarHBondContact O-N 3.2Å; L313-G317 PolarHBondContact O-N 3.16Å; L313-K318 HydrophobicContact CB-CB 4.26Å; L313-K318 HydrophobicContact CD2-CB 4.29Å; L313-K318 HydrophobicContact CD2-CD 3.65Å; L313-K318 WeakPolarHBondContact O-CA 3.36Å; L313-K318 WeakPolarHBondContact O-CB 3.38Å; L313-K318 PolarHBondContact O-N 2.7Å; L313-E321 HydrophobicContact CD1-CB 4.17Å; L313-A322 HydrophobicContact CB-CB 4.07Å; L313-Y325 HydrophobicContact CD1-CD2 3.28Å; L313-Y325 HydrophobicContact CD1-CE2 3.47Å; L313-Y325 VanDerWaalsContact CD1-CE2 3.47Å; L313-Y325 HydrophobicContact CD1-CG 4.19Å
314	K	93.6	Very high	95.3	Very high	50 Å²	50	48.4 Å²	48.4	22%	0.217	25%	0.249	C	C	.	.	H	α-helix	trans	-62.3	-46.6	175.2	-175.5	-178.2	-175.4	-75.7	0	111.2	A310 N311 K316 G317 A322 I346 E349	A310-K314 WeakPolarHBondContact O-CB 3.49Å; A310-K314 PolarHBondContact O-N 3.47Å; N311-K314 WeakPolarHBondContact O-CB 3.2Å; N311-K314 PolarHBondContact O-N 3.36Å; K314-K316 PolarHBondContact O-N 3.18Å; K314-G317 WeakPolarHBondContact O-CA 3.27Å; K314-G317 PolarHBondContact O-N 3.4Å; K314-A322 HydrophobicContact CB-CB 4.12Å; K314-I346 HydrophobicContact CD-CG1 4.19Å; K314-E349 WeakPolarHBondContact CE-OE1 3.32Å; K314-E349 VanDerWaalsContact CE-OE2 3.24Å; K314-E349 WeakPolarHBondContact CE-OE2 3.46Å; K314-E349 IonicContact NZ-OE1 2.7Å; K314-E349 PolarHBondContact NZ-OE1 2.69Å; K314-E349 IonicContact NZ-OE2 3.92Å; K314-E349 PolarHBondContact NZ-OE2 2.84Å
315	E	90.9	Very high	95.4	Very high	125 Å²	125	47.3 Å²	47.3	58%	0.584	24%	0.239	S	C	*	.	H	α-helix	trans	-59.4	-34.5	175.2	-75.5	-60.4	145.4	0	0	112.3	Y280 N311 A312 G317	Y280-E315 HydrophobicContact CE2-CG 4.11Å; Y280-E315 WeakPolarHBondContact OH-CG 3.38Å; N311-E315 PolarHBondContact O-N 3.42Å; A312-E315 PolarHBondContact O-N 2.84Å; E315-G317 PolarHBondContact O-N 2.61Å
316	K	92.6	Very high	95.5	Very high	103 Å²	103	47.2 Å²	47.2	45%	0.448	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-3.1	173.6	-164.5	167.5	178.6	173.6	0	114	I285 D286 I289 A312 L313 K314 K318	I285-K316 HydrophobicContact CG2-CB 4.31Å; D286-K316 WeakPolarHBondContact OD1-CE 3.4Å; D286-K316 IonicContact OD1-NZ 3.94Å; D286-K316 PolarHBondContact OD1-NZ 2.97Å; I289-K316 HydrophobicContact CD1-CB 4.5Å; I289-K316 HydrophobicContact CD1-CD 3.74Å; A312-K316 PolarHBondContact O-N 3.48Å; A312-K316 VanDerWaalsContact O-N 3.11Å; L313-K316 PolarHBondContact O-N 3.2Å; K314-K316 PolarHBondContact O-N 3.18Å; K316-K318 HydrophobicContact CD-CD 4.41Å
317	G	90.3	Very high	95.5	Very high	57 Å²	57	48.6 Å²	48.6	59%	0.588	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.8	6.2	-177.1	0	0	0	0	0	114.9	L313 K314 E315 V319	L313-G317 PolarHBondContact O-N 3.16Å; K314-G317 WeakPolarHBondContact O-CA 3.27Å; K314-G317 PolarHBondContact O-N 3.4Å; E315-G317 PolarHBondContact O-N 2.61Å; G317-V319 VanDerWaalsContact C-N 3.28Å; G317-V319 PolarHBondContact O-N 3.45Å; G317-V319 VanDerWaalsContact O-N 3.07Å
318	K	93.6	Very high	95.5	Very high	76 Å²	76	49.9 Å²	49.9	33%	0.33	26%	0.256	S	S	.	.			trans	-86.4	63.8	178.4	-67.5	175.3	155.3	-123.7	0	111.3	L313 K316 L320 E321 A322	L313-K318 HydrophobicContact CB-CB 4.26Å; L313-K318 HydrophobicContact CD2-CB 4.29Å; L313-K318 HydrophobicContact CD2-CD 3.65Å; L313-K318 WeakPolarHBondContact O-CA 3.36Å; L313-K318 WeakPolarHBondContact O-CB 3.38Å; L313-K318 PolarHBondContact O-N 2.7Å; K316-K318 HydrophobicContact CD-CD 4.41Å; K318-L320 PolarHBondContact O-N 3.25Å; K318-E321 HydrophobicContact CB-CB 4.27Å; K318-E321 WeakPolarHBondContact CD-OE1 3.22Å; K318-E321 WeakPolarHBondContact CE-OE1 3.32Å; K318-E321 VanDerWaalsContact NZ-CD 3.33Å; K318-E321 IonicContact NZ-OE1 3.9Å; K318-E321 PolarHBondContact NZ-OE1 3.47Å; K318-E321 IonicContact NZ-OE2 2.72Å; K318-E321 PolarHBondContact NZ-OE2 3.05Å; K318-E321 VanDerWaalsContact NZ-OE2 3.08Å; K318-E321 PolarHBondContact O-N 3.02Å; K318-A322 PolarHBondContact O-N 3.23Å
319	V	92.8	Very high	95.5	Very high	47 Å²	47	47.6 Å²	47.6	29%	0.285	24%	0.244	S	C	.	.	H	α-helix	trans	-62.8	-41.1	-171.4	-177.7	0	0	0	0	113	G317 A322 E323 I346	G317-V319 VanDerWaalsContact C-N 3.28Å; G317-V319 PolarHBondContact O-N 3.45Å; G317-V319 VanDerWaalsContact O-N 3.07Å; V319-A322 PolarHBondContact O-N 3.2Å; V319-E323 PolarHBondContact O-N 3.21Å; V319-I346 HydrophobicContact CG1-CD1 4.18Å; V319-I346 HydrophobicContact CG1-CG1 4.31Å; V319-I346 HydrophobicContact CG1-CG2 3.9Å
320	L	93.6	Very high	95.4	Very high	132 Å²	132	48.5 Å²	48.5	69%	0.691	25%	0.249	S	C	*	.	H	α-helix	trans	-65.7	-43.8	179.7	-66.4	177.1	0	0	0	111.8	K318 E323 E324	K318-L320 PolarHBondContact O-N 3.25Å; L320-E323 WeakPolarHBondContact O-CB 3.17Å; L320-E323 PolarHBondContact O-N 3.25Å; L320-E324 PolarHBondContact O-N 3.31Å
321	E	94.9	Very high	95.4	Very high	69 Å²	69	57.3 Å²	57.3	32%	0.322	28%	0.282	S	S	.	.	H	α-helix	trans	-62.5	-46.2	175	-66.4	176	-126.5	0	0	110.1	L313 K318 E323 E324 Y325	L313-E321 HydrophobicContact CD1-CB 4.17Å; K318-E321 HydrophobicContact CB-CB 4.27Å; K318-E321 WeakPolarHBondContact CD-OE1 3.22Å; K318-E321 WeakPolarHBondContact CE-OE1 3.32Å; K318-E321 VanDerWaalsContact NZ-CD 3.33Å; K318-E321 IonicContact NZ-OE1 3.9Å; K318-E321 PolarHBondContact NZ-OE1 3.47Å; K318-E321 IonicContact NZ-OE2 2.72Å; K318-E321 PolarHBondContact NZ-OE2 3.05Å; K318-E321 VanDerWaalsContact NZ-OE2 3.08Å; K318-E321 PolarHBondContact O-N 3.02Å; E321-E323 VanDerWaalsContact C-N 3.26Å; E321-E323 PolarHBondContact O-N 2.94Å; E321-E324 WeakPolarHBondContact O-CB 3.4Å; E321-E324 PolarHBondContact O-N 3.32Å; E321-Y325 WeakPolarHBondContact O-CD2 3.47Å; E321-Y325 PolarHBondContact O-N 3.07Å; E321-Y325 VanDerWaalsContact O-N 3.09Å
322	A	96.7	Very high	95.4	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-54.8	-42.1	177.4	0	0	0	0	0	112.4	A310 L313 K314 K318 V319 E324 Y325 Y326 I346	A310-A322 HydrophobicContact CB-CB 4.27Å; A310-A322 WeakPolarHBondContact CB-O 3.45Å; A310-A322 VanDerWaalsContact O-CB 3.27Å; A310-A322 WeakPolarHBondContact O-CB 3.31Å; L313-A322 HydrophobicContact CB-CB 4.07Å; K314-A322 HydrophobicContact CB-CB 4.12Å; K318-A322 PolarHBondContact O-N 3.23Å; V319-A322 PolarHBondContact O-N 3.2Å; A322-E324 PolarHBondContact O-N 2.9Å; A322-Y325 PolarHBondContact O-N 2.8Å; A322-Y326 HydrophobicContact CB-CE2 4.29Å; A322-Y326 WeakPolarHBondContact O-CD2 3.22Å; A322-Y326 PolarHBondContact O-N 3.3Å; A322-I346 HydrophobicContact CB-CD1 3.95Å
323	E	96.5	Very high	95.4	Very high	32 Å²	32	60.4 Å²	60.4	15%	0.15	30%	0.3	C	S	.	.	H	α-helix	trans	-59.1	-43.6	175	-176.9	173.9	166.1	0	0	112.6	V319 L320 E321 Y325 Y326 N327 L343 I346 K347 Q350	V319-E323 PolarHBondContact O-N 3.21Å; L320-E323 WeakPolarHBondContact O-CB 3.17Å; L320-E323 PolarHBondContact O-N 3.25Å; E321-E323 VanDerWaalsContact C-N 3.26Å; E321-E323 PolarHBondContact O-N 2.94Å; E323-Y325 VanDerWaalsContact C-N 3.35Å; E323-Y325 PolarHBondContact O-N 3.25Å; E323-Y326 PolarHBondContact O-N 3.47Å; E323-N327 WeakPolarHBondContact O-CB 3.39Å; E323-N327 PolarHBondContact O-N 2.9Å; E323-N327 PolarHBondContact O-ND2 3.5Å; E323-L343 HydrophobicContact CG-CD1 3.78Å; E323-I346 HydrophobicContact CB-CD1 4.48Å; E323-K347 WeakPolarHBondContact OE1-CE 3.2Å; E323-K347 IonicContact OE1-NZ 3.96Å; E323-K347 PolarHBondContact OE1-NZ 3.43Å; E323-K347 IonicContact OE2-NZ 3.44Å; E323-Q350 PolarHBondContact OE2-NE2 3.36Å
324	E	96.9	Very high	95.3	Very high	127 Å²	127	63.6 Å²	63.6	59%	0.593	32%	0.321	S	S	*	.	H	α-helix	trans	-63.1	-39.7	177.1	-67.3	-178.6	172.4	0	0	112.4	L320 E321 A322 N327 T328	L320-E324 PolarHBondContact O-N 3.31Å; E321-E324 WeakPolarHBondContact O-CB 3.4Å; E321-E324 PolarHBondContact O-N 3.32Å; A322-E324 PolarHBondContact O-N 2.9Å; E324-N327 PolarHBondContact O-N 3.45Å; E324-T328 PolarHBondContact O-N 3.38Å; E324-T328 PolarHBondContact O-OG1 3.08Å
325	Y	97.3	Very high	95.4	Very high	58 Å²	58	65.5 Å²	65.5	23%	0.227	34%	0.337	C	S	.	.	H	α-helix	trans	-69.9	-39.4	177.4	-76.1	-80.5	0	0	0	112.1	Y306 L309 L313 E321 A322 E323 N327 T328 A329	Y306-Y325 AromaticContact CD1-CD1 3.68Å; Y306-Y325 HydrophobicContact CD1-CD1 3.68Å; Y306-Y325 HydrophobicContact CD1-CE1 4.33Å; Y306-Y325 HydrophobicContact CE1-CD1 4.25Å; Y306-Y325 HydrophobicContact CE1-CE1 4.48Å; L309-Y325 HydrophobicContact CD2-CD1 3.62Å; L309-Y325 HydrophobicContact CD2-CE1 3.43Å; L309-Y325 VanDerWaalsContact CD2-CE1 3.43Å; L309-Y325 HydrophobicContact CD2-CE2 4.42Å; L309-Y325 HydrophobicContact CD2-CG 4.25Å; L309-Y325 HydrophobicContact CG-CD1 4.23Å; L309-Y325 HydrophobicContact CG-CE1 4.39Å; L309-Y325 HydrophobicContact CG-CG 4.41Å; L313-Y325 HydrophobicContact CD1-CD2 3.28Å; L313-Y325 HydrophobicContact CD1-CE2 3.47Å; L313-Y325 VanDerWaalsContact CD1-CE2 3.47Å; L313-Y325 HydrophobicContact CD1-CG 4.19Å; E321-Y325 WeakPolarHBondContact O-CD2 3.47Å; E321-Y325 PolarHBondContact O-N 3.07Å; E321-Y325 VanDerWaalsContact O-N 3.09Å; A322-Y325 PolarHBondContact O-N 2.8Å; E323-Y325 VanDerWaalsContact C-N 3.35Å; E323-Y325 PolarHBondContact O-N 3.25Å; Y325-N327 PolarHBondContact O-N 3.4Å; Y325-T328 PolarHBondContact O-N 2.73Å; Y325-A329 PolarHBondContact O-N 2.97Å
326	Y	97.5	Very high	95.7	Very high	1 Å²	1	60.6 Å²	60.6	0%	0.004	31%	0.314	C	S	.	.	H	α-helix	trans	-61.2	-44.3	170.7	-70.1	-54.2	0	0	0	112.2	A310 N311 A322 E323 T328 A329 L330 N342 L343 I346	A310-Y326 HydrophobicContact CB-CD1 3.64Å; A310-Y326 HydrophobicContact CB-CD2 3.87Å; A310-Y326 HydrophobicContact CB-CE1 3.43Å; A310-Y326 VanDerWaalsContact CB-CE1 3.43Å; A310-Y326 HydrophobicContact CB-CE2 3.66Å; A310-Y326 HydrophobicContact CB-CG 3.83Å; A310-Y326 VanDerWaalsContact CB-CZ 3.41Å; N311-Y326 PolarHBondContact N-OH 3.16Å; N311-Y326 PolarHBondContact OD1-OH 3.16Å; A322-Y326 HydrophobicContact CB-CE2 4.29Å; A322-Y326 WeakPolarHBondContact O-CD2 3.22Å; A322-Y326 PolarHBondContact O-N 3.3Å; E323-Y326 PolarHBondContact O-N 3.47Å; Y326-T328 PolarHBondContact O-N 3.27Å; Y326-A329 WeakPolarHBondContact O-CB 3Å; Y326-A329 PolarHBondContact O-N 2.98Å; Y326-L330 WeakPolarHBondContact O-CG 3.47Å; Y326-L330 PolarHBondContact O-N 2.75Å; Y326-N342 HydrophobicContact CD1-CB 4.27Å; Y326-N342 HydrophobicContact CE1-CB 3.49Å; Y326-N342 VanDerWaalsContact CE1-CB 3.49Å; Y326-N342 HydrophobicContact CE2-CB 4.18Å; Y326-N342 VanDerWaalsContact CZ-CB 3.46Å; Y326-N342 WeakPolarHBondContact OH-CB 3.44Å; Y326-L343 HydrophobicContact CG-CB 4.45Å; Y326-I346 HydrophobicContact CD2-CD1 3.88Å; Y326-I346 HydrophobicContact CE2-CD1 3.56Å; Y326-I346 HydrophobicContact CE2-CG1 4.37Å
327	N	97.4	Very high	95.8	Very high	59 Å²	59	56.1 Å²	56.1	32%	0.316	30%	0.297	S	S	.	.	H	α-helix	trans	-62	-34.6	176.3	-77	-50.6	0	0	0	111.6	E323 E324 Y325 L330 R331	E323-N327 WeakPolarHBondContact O-CB 3.39Å; E323-N327 PolarHBondContact O-N 2.9Å; E323-N327 PolarHBondContact O-ND2 3.5Å; E324-N327 PolarHBondContact O-N 3.45Å; Y325-N327 PolarHBondContact O-N 3.4Å; N327-L330 PolarHBondContact O-N 2.68Å; N327-R331 WeakPolarHBondContact O-CG 3.38Å; N327-R331 PolarHBondContact O-N 3.41Å
328	T	97.2	Very high	96.1	Very high	28 Å²	28	57.2 Å²	57.2	17%	0.172	29%	0.289	C	S	.	.	H	α-helix	trans	-68.2	-44.6	174.8	-54.6	0	0	0	0	111.7	Y306 E324 Y325 Y326 L330 R331 L332	Y306-T328 HydrophobicContact CD1-CG2 3.53Å; Y306-T328 HydrophobicContact CE1-CG2 3.34Å; Y306-T328 HydrophobicContact CG-CG2 4.26Å; E324-T328 PolarHBondContact O-N 3.38Å; E324-T328 PolarHBondContact O-OG1 3.08Å; Y325-T328 PolarHBondContact O-N 2.73Å; Y326-T328 PolarHBondContact O-N 3.27Å; T328-L330 VanDerWaalsContact C-N 3.27Å; T328-L330 PolarHBondContact O-N 3.05Å; T328-R331 PolarHBondContact O-N 3.41Å; T328-R331 VanDerWaalsContact O-N 3.16Å; T328-R331 PolarHBondContact OG1-NH2 2.82Å; T328-L332 WeakPolarHBondContact O-CG 3.28Å; T328-L332 PolarHBondContact O-N 2.94Å; T328-L332 VanDerWaalsContact O-N 3.08Å
329	A	97.1	Very high	96.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-55.4	-43.7	172.3	0	0	0	0	0	111.6	C307 Y325 Y326 L332 C333 S339	C307-A329 HydrophobicContact CB-CB 4.46Å; Y325-A329 PolarHBondContact O-N 2.97Å; Y326-A329 WeakPolarHBondContact O-CB 3Å; Y326-A329 PolarHBondContact O-N 2.98Å; A329-L332 PolarHBondContact O-N 2.94Å; A329-C333 PolarHBondContact O-N 3.42Å; A329-S339 WeakPolarHBondContact CB-OG 3.42Å
330	L	96.8	Very high	96.5	Very high	20 Å²	20	51.4 Å²	51.4	11%	0.105	26%	0.26	C	S	.	.	H	α-helix	trans	-72.2	-26	179	-67.1	172	0	0	0	114.1	Y326 N327 T328 C333 P334 H336 L340 L343	Y326-L330 WeakPolarHBondContact O-CG 3.47Å; Y326-L330 PolarHBondContact O-N 2.75Å; N327-L330 PolarHBondContact O-N 2.68Å; T328-L330 VanDerWaalsContact C-N 3.27Å; T328-L330 PolarHBondContact O-N 3.05Å; L330-C333 CarbonylContact O-C 3.52Å; L330-P334 VanDerWaalsContact O-CA 3.22Å; L330-P334 WeakPolarHBondContact O-CA 3.45Å; L330-P334 WeakPolarHBondContact O-CG 3.5Å; L330-P334 VanDerWaalsContact O-N 3.13Å; L330-H336 HydrophobicContact CD2-CB 4.31Å; L330-L340 HydrophobicContact CD1-CD2 3.9Å; L330-L340 HydrophobicContact CD2-CD2 3.7Å; L330-L340 HydrophobicContact CD2-CG 3.68Å; L330-L340 HydrophobicContact CG-CD2 4.48Å; L330-L343 HydrophobicContact CD1-CD2 3.73Å
331	R	97.4	Very high	96.7	Very high	184 Å²	184	45.2 Å²	45.2	69%	0.694	23%	0.227	S	C	*	.	H	α-helix	trans	-69.7	-39.1	169.9	-78.9	-173	-65.1	-129.2	1	111.7	N327 T328	N327-R331 WeakPolarHBondContact O-CG 3.38Å; N327-R331 PolarHBondContact O-N 3.41Å; T328-R331 PolarHBondContact O-N 3.41Å; T328-R331 VanDerWaalsContact O-N 3.16Å; T328-R331 PolarHBondContact OG1-NH2 2.82Å
332	L	96.3	Very high	96.8	Very high	64 Å²	64	43.2 Å²	43.2	34%	0.335	22%	0.219	S	C	.	.	H	α-helix	trans	-73.7	-40.6	177.8	-63.8	173.8	0	0	0	111.5	P303 Y306 T328 A329	P303-L332 HydrophobicContact CG-CB 3.88Å; Y306-L332 HydrophobicContact CD2-CD1 3.72Å; Y306-L332 HydrophobicContact CE2-CD1 3.51Å; T328-L332 WeakPolarHBondContact O-CG 3.28Å; T328-L332 PolarHBondContact O-N 2.94Å; T328-L332 VanDerWaalsContact O-N 3.08Å; A329-L332 PolarHBondContact O-N 2.94Å
333	C	96.9	Very high	96.8	Very high	35 Å²	35	43.5 Å²	43.5	24%	0.236	22%	0.22	C	C	.	.			trans	-138	93.5	178.4	-176.4	0	0	0	0	110.4	P303 A329 L330 T335 H336	P303-C333 HydrophobicContact CB-CB 3.99Å; P303-C333 HydrophobicContact CG-CB 3.71Å; A329-C333 PolarHBondContact O-N 3.42Å; L330-C333 CarbonylContact O-C 3.52Å; C333-T335 PolarHBondContact O-N 3.22Å; C333-T335 PolarHBondContact SG-OG1 3.14Å; C333-H336 HydrophobicContact CB-CB 4.08Å; C333-H336 VanDerWaalsContact O-CB 3.28Å; C333-H336 WeakPolarHBondContact O-CB 3.46Å; C333-H336 PolarHBondContact O-N 2.85Å
334	P	95.5	Very high	96.8	Very high	69 Å²	69	42 Å²	42	45%	0.448	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-13.7	178.7	-26.1	35.5	0	0	0	114.9	L330 R362	L330-P334 VanDerWaalsContact O-CA 3.22Å; L330-P334 WeakPolarHBondContact O-CA 3.45Å; L330-P334 WeakPolarHBondContact O-CG 3.5Å; L330-P334 VanDerWaalsContact O-N 3.13Å; P334-R362 PolarHBondContact O-NH2 2.91Å
335	T	95.2	Very high	96.8	Very high	89 Å²	89	37.1 Å²	37.1	55%	0.546	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	17.4	177.5	54.5	0	0	0	0	112.7	C333 A337 I366	C333-T335 PolarHBondContact O-N 3.22Å; C333-T335 PolarHBondContact SG-OG1 3.14Å; T335-A337 PolarHBondContact O-N 2.99Å; T335-A337 VanDerWaalsContact O-N 3.1Å; T335-I366 HydrophobicContact CG2-CD1 4.46Å; T335-I366 HydrophobicContact CG2-CG1 4.49Å; T335-I366 WeakPolarHBondContact O-CG2 3.35Å
336	H	96.4	Very high	96.6	Very high	22 Å²	22	34.4 Å²	34.4	10%	0.102	18%	0.181	C	C	.	.			trans	-79.1	93.8	179.7	-166.8	-109.9	0	0	0	111.5	D304 L330 C333 D338 S339 L340	D304-H336 IonicContact OD1-CD2 3.08Å; D304-H336 IonicContact OD1-NE2 2.91Å; D304-H336 PolarHBondContact OD1-NE2 2.76Å; D304-H336 VanDerWaalsContact OD1-NE2 3.12Å; L330-H336 HydrophobicContact CD2-CB 4.31Å; C333-H336 HydrophobicContact CB-CB 4.08Å; C333-H336 VanDerWaalsContact O-CB 3.28Å; C333-H336 WeakPolarHBondContact O-CB 3.46Å; C333-H336 PolarHBondContact O-N 2.85Å; H336-D338 PolarHBondContact O-N 3.42Å; H336-S339 PolarHBondContact CE1-OG 3.07Å; H336-S339 VanDerWaalsContact ND1-CB 3.3Å; H336-S339 WeakPolarHBondContact ND1-CB 3.42Å; H336-S339 PolarHBondContact ND1-N 2.88Å; H336-S339 PolarHBondContact ND1-OG 2.97Å; H336-S339 PolarHBondContact O-N 2.85Å; H336-L340 PolarHBondContact O-N 3.12Å
337	A	95.4	Very high	96.5	Very high	10 Å²	10	35 Å²	35	8%	0.083	18%	0.183	C	C	.	.	H	α-helix	trans	-59.4	-41.6	-171.4	0	0	0	0	0	113.6	T335 S339 L340 N341 I366 F370	T335-A337 PolarHBondContact O-N 2.99Å; T335-A337 VanDerWaalsContact O-N 3.1Å; A337-S339 PolarHBondContact O-N 2.79Å; A337-L340 WeakPolarHBondContact O-CB 3.37Å; A337-L340 PolarHBondContact O-N 3.13Å; A337-N341 PolarHBondContact O-N 2.76Å; A337-I366 HydrophobicContact CB-CG2 4.5Å; A337-F370 HydrophobicContact CB-CD1 4.28Å; A337-F370 HydrophobicContact CB-CE1 4.28Å
338	D	95.8	Very high	96.1	Very high	80 Å²	80	36.5 Å²	36.5	43%	0.428	19%	0.185	S	C	.	.	H	α-helix	trans	-61.4	-43.1	178.8	-68.5	-67.1	0	0	0	112.3	H336 L340 N341 N342 F370	H336-D338 PolarHBondContact O-N 3.42Å; D338-L340 VanDerWaalsContact C-N 3.33Å; D338-L340 PolarHBondContact O-N 2.83Å; D338-N341 PolarHBondContact O-N 2.81Å; D338-N342 WeakPolarHBondContact O-CB 3.27Å; D338-N342 VanDerWaalsContact O-CG 3.25Å; D338-N342 PolarHBondContact O-N 2.98Å; D338-F370 WeakPolarHBondContact OD1-CZ 3.26Å
339	S	97.4	Very high	95.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.4	-34.7	175.9	-69.8	0	0	0	0	112.6	C307 A329 H336 A337 L343	C307-S339 VanDerWaalsContact CB-OG 3.26Å; C307-S339 WeakPolarHBondContact CB-OG 3.41Å; C307-S339 PolarHBondContact SG-OG 2.83Å; A329-S339 WeakPolarHBondContact CB-OG 3.42Å; H336-S339 PolarHBondContact CE1-OG 3.07Å; H336-S339 VanDerWaalsContact ND1-CB 3.3Å; H336-S339 WeakPolarHBondContact ND1-CB 3.42Å; H336-S339 PolarHBondContact ND1-N 2.88Å; H336-S339 PolarHBondContact ND1-OG 2.97Å; H336-S339 PolarHBondContact O-N 2.85Å; A337-S339 PolarHBondContact O-N 2.79Å; S339-L343 WeakPolarHBondContact O-CB 3.38Å; S339-L343 PolarHBondContact O-N 2.76Å
340	L	98.2	Very high	95.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.6	-48.7	174.4	-70.7	171.2	0	0	0	111.2	L330 H336 A337 D338 A344 L359 R362 A363 I366	L330-L340 HydrophobicContact CD1-CD2 3.9Å; L330-L340 HydrophobicContact CD2-CD2 3.7Å; L330-L340 HydrophobicContact CD2-CG 3.68Å; L330-L340 HydrophobicContact CG-CD2 4.48Å; H336-L340 PolarHBondContact O-N 3.12Å; A337-L340 WeakPolarHBondContact O-CB 3.37Å; A337-L340 PolarHBondContact O-N 3.13Å; D338-L340 VanDerWaalsContact C-N 3.33Å; D338-L340 PolarHBondContact O-N 2.83Å; L340-A344 WeakPolarHBondContact O-CB 3.24Å; L340-A344 PolarHBondContact O-N 3.16Å; L340-L359 HydrophobicContact CD2-CD2 3.84Å; L340-R362 HydrophobicContact CD1-CB 4.28Å; L340-R362 HydrophobicContact CD1-CG 3.81Å; L340-R362 HydrophobicContact CD2-CG 4.49Å; L340-A363 HydrophobicContact CB-CB 3.8Å; L340-A363 HydrophobicContact CD1-CB 4.42Å; L340-I366 HydrophobicContact CD1-CD1 3.39Å
341	N	97.3	Very high	94.5	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-63.5	-43.3	178.3	173.8	79.4	0	0	0	112.2	A337 D338 A344 N345 Y360 A363 F370 A373 N376	A337-N341 PolarHBondContact O-N 2.76Å; D338-N341 PolarHBondContact O-N 2.81Å; N341-A344 WeakPolarHBondContact O-CB 3.46Å; N341-A344 PolarHBondContact O-N 3.42Å; N341-N345 PolarHBondContact O-N 2.98Å; N341-N345 PolarHBondContact O-ND2 3.4Å; N341-Y360 WeakPolarHBondContact OD1-CD1 3.45Å; N341-Y360 WeakPolarHBondContact OD1-CE1 3.38Å; N341-A363 HydrophobicContact CB-CB 4.49Å; N341-F370 HydrophobicContact CB-CE1 3.64Å; N341-F370 HydrophobicContact CB-CZ 4.04Å; N341-A373 HydrophobicContact CB-CB 4.49Å; N341-A373 WeakPolarHBondContact OD1-CA 3.48Å; N341-N376 PolarHBondContact OD1-ND2 2.95Å
342	N	97	Very high	94.1	Very high	27 Å²	27	41.1 Å²	41.1	14%	0.144	23%	0.227	C	C	.	.	H	α-helix	trans	-74	-34.4	-178.2	-65.9	-11.3	0	0	0	112.3	N311 Y326 D338 A344 N345 I346	N311-N342 PolarHBondContact OD1-ND2 3.19Å; Y326-N342 HydrophobicContact CD1-CB 4.27Å; Y326-N342 HydrophobicContact CE1-CB 3.49Å; Y326-N342 VanDerWaalsContact CE1-CB 3.49Å; Y326-N342 HydrophobicContact CE2-CB 4.18Å; Y326-N342 VanDerWaalsContact CZ-CB 3.46Å; Y326-N342 WeakPolarHBondContact OH-CB 3.44Å; D338-N342 WeakPolarHBondContact O-CB 3.27Å; D338-N342 VanDerWaalsContact O-CG 3.25Å; D338-N342 PolarHBondContact O-N 2.98Å; N342-A344 VanDerWaalsContact C-N 3.32Å; N342-N345 WeakPolarHBondContact O-CB 3.47Å; N342-N345 PolarHBondContact O-N 3.37Å; N342-I346 PolarHBondContact O-N 3.18Å; N342-I346 VanDerWaalsContact O-N 3.16Å
343	L	97.3	Very high	93.6	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.031	22%	0.218	C	C	.	.	H	α-helix	trans	-62.9	-41.5	168.9	-177.1	61.9	0	0	0	110.8	E323 Y326 L330 S339 N345 I346 K347 L359	E323-L343 HydrophobicContact CG-CD1 3.78Å; Y326-L343 HydrophobicContact CG-CB 4.45Å; L330-L343 HydrophobicContact CD1-CD2 3.73Å; S339-L343 WeakPolarHBondContact O-CB 3.38Å; S339-L343 PolarHBondContact O-N 2.76Å; L343-N345 VanDerWaalsContact C-N 3.31Å; L343-N345 PolarHBondContact O-N 3.47Å; L343-I346 WeakPolarHBondContact O-CB 3.4Å; L343-I346 PolarHBondContact O-N 3.01Å; L343-I346 VanDerWaalsContact O-N 3.13Å; L343-K347 WeakPolarHBondContact O-CG 3.45Å; L343-K347 PolarHBondContact O-N 2.95Å; L343-L359 HydrophobicContact CB-CD1 4.25Å; L343-L359 HydrophobicContact CD2-CD1 3.92Å; L343-L359 HydrophobicContact CD2-CD2 4.17Å; L343-L359 HydrophobicContact CG-CD1 3.73Å
344	A	97.1	Very high	93.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.1	-41.6	174.9	0	0	0	0	0	112.1	L340 N341 N342 I346 K347 R348 A356 L359 Y360	L340-A344 WeakPolarHBondContact O-CB 3.24Å; L340-A344 PolarHBondContact O-N 3.16Å; N341-A344 WeakPolarHBondContact O-CB 3.46Å; N341-A344 PolarHBondContact O-N 3.42Å; N342-A344 VanDerWaalsContact C-N 3.32Å; A344-I346 VanDerWaalsContact C-N 3.32Å; A344-I346 PolarHBondContact O-N 3.4Å; A344-K347 PolarHBondContact O-N 3.36Å; A344-K347 VanDerWaalsContact O-N 3.17Å; A344-R348 WeakPolarHBondContact O-CB 3.41Å; A344-R348 PolarHBondContact O-N 3Å; A344-A356 HydrophobicContact CB-CB 4.45Å; A344-A356 WeakPolarHBondContact CB-O 3.44Å; A344-A356 VanDerWaalsContact O-CB 3.32Å; A344-A356 WeakPolarHBondContact O-CB 3.48Å; A344-L359 HydrophobicContact CB-CB 3.59Å; A344-L359 HydrophobicContact CB-CD1 4.32Å; A344-Y360 HydrophobicContact CB-CD1 3.54Å; A344-Y360 HydrophobicContact CB-CD2 3.96Å; A344-Y360 HydrophobicContact CB-CE1 3.35Å; A344-Y360 HydrophobicContact CB-CE2 3.79Å; A344-Y360 HydrophobicContact CB-CG 3.83Å; A344-Y360 VanDerWaalsContact CB-CZ 3.47Å
345	N	95.6	Very high	92.9	Very high	25 Å²	25	42.1 Å²	42.1	13%	0.134	22%	0.223	C	C	.	.	H	α-helix	trans	-57.9	-43.2	174	-67	-27.4	0	0	0	111.7	N341 N342 L343 R348 E349 Y360 N376	N341-N345 PolarHBondContact O-N 2.98Å; N341-N345 PolarHBondContact O-ND2 3.4Å; N342-N345 WeakPolarHBondContact O-CB 3.47Å; N342-N345 PolarHBondContact O-N 3.37Å; L343-N345 VanDerWaalsContact C-N 3.31Å; L343-N345 PolarHBondContact O-N 3.47Å; N345-R348 WeakPolarHBondContact O-CB 3.2Å; N345-R348 PolarHBondContact O-N 3.35Å; N345-E349 WeakPolarHBondContact O-CG 3.36Å; N345-E349 PolarHBondContact O-N 3.17Å; N345-Y360 WeakPolarHBondContact CA-OH 3.26Å; N345-Y360 PolarHBondContact N-OH 2.89Å; N345-Y360 PolarHBondContact OD1-OH 3.32Å; N345-N376 PolarHBondContact OD1-ND2 2.99Å
346	I	94.1	Very high	92.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.9	-46.9	174	-73.3	-173.9	0	0	0	111	K314 V319 A322 E323 Y326 N342 L343 A344 R348 E349 Q350	K314-I346 HydrophobicContact CD-CG1 4.19Å; V319-I346 HydrophobicContact CG1-CD1 4.18Å; V319-I346 HydrophobicContact CG1-CG1 4.31Å; V319-I346 HydrophobicContact CG1-CG2 3.9Å; A322-I346 HydrophobicContact CB-CD1 3.95Å; E323-I346 HydrophobicContact CB-CD1 4.48Å; Y326-I346 HydrophobicContact CD2-CD1 3.88Å; Y326-I346 HydrophobicContact CE2-CD1 3.56Å; Y326-I346 HydrophobicContact CE2-CG1 4.37Å; N342-I346 PolarHBondContact O-N 3.18Å; N342-I346 VanDerWaalsContact O-N 3.16Å; L343-I346 WeakPolarHBondContact O-CB 3.4Å; L343-I346 PolarHBondContact O-N 3.01Å; L343-I346 VanDerWaalsContact O-N 3.13Å; A344-I346 VanDerWaalsContact C-N 3.32Å; A344-I346 PolarHBondContact O-N 3.4Å; I346-R348 VanDerWaalsContact C-N 3.26Å; I346-R348 PolarHBondContact O-N 2.7Å; I346-E349 PolarHBondContact O-N 3.25Å; I346-E349 VanDerWaalsContact O-N 3.13Å; I346-Q350 HydrophobicContact CG2-CG 4.24Å; I346-Q350 VanDerWaalsContact CG2-NE2 3.29Å; I346-Q350 VanDerWaalsContact O-CG 3.32Å; I346-Q350 WeakPolarHBondContact O-CG 3.38Å; I346-Q350 PolarHBondContact O-N 2.85Å
347	K	94.5	Very high	92.8	Very high	13 Å²	13	38 Å²	38	6%	0.057	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-39.1	179.1	-64.5	-45.9	-175.7	166.7	0	112	E323 L343 A344 Q350 G351 K352 E355 A356 L359	E323-K347 WeakPolarHBondContact OE1-CE 3.2Å; E323-K347 IonicContact OE1-NZ 3.96Å; E323-K347 PolarHBondContact OE1-NZ 3.43Å; E323-K347 IonicContact OE2-NZ 3.44Å; L343-K347 WeakPolarHBondContact O-CG 3.45Å; L343-K347 PolarHBondContact O-N 2.95Å; A344-K347 PolarHBondContact O-N 3.36Å; A344-K347 VanDerWaalsContact O-N 3.17Å; K347-Q350 PolarHBondContact O-N 3.27Å; K347-G351 PolarHBondContact O-N 2.77Å; K347-K352 HydrophobicContact CB-CB 4.24Å; K347-K352 HydrophobicContact CD-CD 4.19Å; K347-K352 WeakPolarHBondContact O-CA 3.31Å; K347-K352 WeakPolarHBondContact O-CB 3.49Å; K347-K352 PolarHBondContact O-N 2.75Å; K347-E355 HydrophobicContact CB-CB 4.4Å; K347-E355 WeakPolarHBondContact CD-OE2 3.31Å; K347-E355 WeakPolarHBondContact CE-OE2 3.28Å; K347-E355 HydrophobicContact CG-CB 4.34Å; K347-E355 HydrophobicContact CG-CG 4.28Å; K347-E355 IonicContact NZ-OE2 3.26Å; K347-E355 PolarHBondContact NZ-OE2 3.17Å; K347-A356 HydrophobicContact CB-CB 3.96Å; K347-L359 HydrophobicContact CG-CD1 3.77Å
348	R	90.3	Very high	92.9	Very high	92 Å²	92	45.5 Å²	45.5	35%	0.347	23%	0.225	S	C	.	.	H	α-helix	trans	-61.1	-49.4	173.1	-179.4	-175.9	74.1	136.3	4.2	111.5	A344 N345 I346 Q350 G351 A356 M380	A344-R348 WeakPolarHBondContact O-CB 3.41Å; A344-R348 PolarHBondContact O-N 3Å; N345-R348 WeakPolarHBondContact O-CB 3.2Å; N345-R348 PolarHBondContact O-N 3.35Å; I346-R348 VanDerWaalsContact C-N 3.26Å; I346-R348 PolarHBondContact O-N 2.7Å; R348-Q350 PolarHBondContact O-N 2.89Å; R348-G351 PolarHBondContact O-N 3.07Å; R348-A356 HydrophobicContact CB-CB 3.99Å; R348-M380 HydrophobicContact CB-SD 4.26Å; R348-M380 WeakPolarHBondContact CD-SD 3.24Å; R348-M380 HydrophobicContact CG-CE 4.34Å; R348-M380 HydrophobicContact CG-SD 3.46Å; R348-M380 WeakPolarHBondContact CG-SD 3.45Å
349	E	86.3	Confident	93	Very high	105 Å²	105	42.8 Å²	42.8	49%	0.491	21%	0.21	S	C	.	.	H	α-helix	trans	-62	-29.6	177.3	-71.7	170.7	-170.2	0	0	112.4	K314 N345 I346 G351	K314-E349 WeakPolarHBondContact CE-OE1 3.32Å; K314-E349 VanDerWaalsContact CE-OE2 3.24Å; K314-E349 WeakPolarHBondContact CE-OE2 3.46Å; K314-E349 IonicContact NZ-OE1 2.7Å; K314-E349 PolarHBondContact NZ-OE1 2.69Å; K314-E349 IonicContact NZ-OE2 3.92Å; K314-E349 PolarHBondContact NZ-OE2 2.84Å; N345-E349 WeakPolarHBondContact O-CG 3.36Å; N345-E349 PolarHBondContact O-N 3.17Å; I346-E349 PolarHBondContact O-N 3.25Å; I346-E349 VanDerWaalsContact O-N 3.13Å; E349-G351 VanDerWaalsContact C-N 3.25Å; E349-G351 PolarHBondContact O-N 3.13Å
350	Q	88.7	Confident	93	Very high	63 Å²	63	42.8 Å²	42.8	29%	0.294	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-0.8	172.6	-68.6	175.8	2.7	0	0	114	E323 I346 K347 R348 K352	E323-Q350 PolarHBondContact OE2-NE2 3.36Å; I346-Q350 HydrophobicContact CG2-CG 4.24Å; I346-Q350 VanDerWaalsContact CG2-NE2 3.29Å; I346-Q350 VanDerWaalsContact O-CG 3.32Å; I346-Q350 WeakPolarHBondContact O-CG 3.38Å; I346-Q350 PolarHBondContact O-N 2.85Å; K347-Q350 PolarHBondContact O-N 3.27Å; R348-Q350 PolarHBondContact O-N 2.89Å; Q350-K352 VanDerWaalsContact C-N 3.26Å; Q350-K352 HydrophobicContact CB-CD 4.49Å; Q350-K352 HydrophobicContact CB-CG 4.38Å; Q350-K352 PolarHBondContact O-N 2.84Å
351	G	82	Confident	93	Very high	63 Å²	63	45.4 Å²	45.4	65%	0.649	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.7	5.9	-175.6	0	0	0	0	0	114.8	K347 R348 E349 A353	K347-G351 PolarHBondContact O-N 2.77Å; R348-G351 PolarHBondContact O-N 3.07Å; E349-G351 VanDerWaalsContact C-N 3.25Å; E349-G351 PolarHBondContact O-N 3.13Å; G351-A353 VanDerWaalsContact C-N 3.26Å; G351-A353 PolarHBondContact O-N 3.36Å
352	K	88	Confident	93	Very high	97 Å²	97	50.1 Å²	50.1	42%	0.422	24%	0.244	S	C	.	.			trans	-85.4	65	177.8	-62.7	177.2	-177.8	167.9	0	110.6	K347 Q350 E354 E355 A356	K347-K352 HydrophobicContact CB-CB 4.24Å; K347-K352 HydrophobicContact CD-CD 4.19Å; K347-K352 WeakPolarHBondContact O-CA 3.31Å; K347-K352 WeakPolarHBondContact O-CB 3.49Å; K347-K352 PolarHBondContact O-N 2.75Å; Q350-K352 VanDerWaalsContact C-N 3.26Å; Q350-K352 HydrophobicContact CB-CD 4.49Å; Q350-K352 HydrophobicContact CB-CG 4.38Å; Q350-K352 PolarHBondContact O-N 2.84Å; K352-E354 PolarHBondContact O-N 3.1Å; K352-E355 HydrophobicContact CB-CB 4.11Å; K352-E355 WeakPolarHBondContact CD-OE2 3.23Å; K352-E355 PolarHBondContact O-N 3.46Å; K352-A356 PolarHBondContact O-N 2.81Å
353	A	85.9	Confident	93.1	Very high	17 Å²	17	48.9 Å²	48.9	14%	0.14	24%	0.237	C	C	.	.	H	α-helix	trans	-55.6	-43.9	-172.7	0	0	0	0	0	114	G351 A356 I357 M380 L547	G351-A353 VanDerWaalsContact C-N 3.26Å; G351-A353 PolarHBondContact O-N 3.36Å; A353-A356 WeakPolarHBondContact O-CB 3.38Å; A353-A356 PolarHBondContact O-N 2.65Å; A353-I357 WeakPolarHBondContact O-CG1 3.24Å; A353-I357 PolarHBondContact O-N 3.11Å; A353-M380 HydrophobicContact CB-CE 3.45Å; A353-M380 VanDerWaalsContact CB-CE 3.45Å; A353-L547 HydrophobicContact CB-CD2 4.31Å
354	E	86.8	Confident	93.1	Very high	107 Å²	107	49.4 Å²	49.4	50%	0.5	24%	0.24	S	C	.	.	H	α-helix	trans	-67.5	-38	-179.6	-62.4	-169.2	145.2	0	0	113.1	K352 A356 I357 R358 H549	K352-E354 PolarHBondContact O-N 3.1Å; E354-A356 VanDerWaalsContact C-N 3.33Å; E354-I357 PolarHBondContact O-N 3.05Å; E354-R358 WeakPolarHBondContact O-CG 3.5Å; E354-R358 PolarHBondContact O-N 2.89Å; E354-H549 IonicContact OE1-CE1 2.88Å; E354-H549 PolarHBondContact OE1-CE1 3.45Å; E354-H549 IonicContact OE1-ND1 3.36Å; E354-H549 IonicContact OE1-NE2 3.69Å
355	E	92.7	Very high	93.1	Very high	66 Å²	66	56.3 Å²	56.3	31%	0.308	27%	0.272	S	S	.	.	H	α-helix	trans	-67	-40.5	177.3	-154.3	172.8	-129.2	0	0	110	K347 K352 R358 L359	K347-E355 HydrophobicContact CB-CB 4.4Å; K347-E355 WeakPolarHBondContact CD-OE2 3.31Å; K347-E355 WeakPolarHBondContact CE-OE2 3.28Å; K347-E355 HydrophobicContact CG-CB 4.34Å; K347-E355 HydrophobicContact CG-CG 4.28Å; K347-E355 IonicContact NZ-OE2 3.26Å; K347-E355 PolarHBondContact NZ-OE2 3.17Å; K352-E355 HydrophobicContact CB-CB 4.11Å; K352-E355 WeakPolarHBondContact CD-OE2 3.23Å; K352-E355 PolarHBondContact O-N 3.46Å; E355-R358 PolarHBondContact O-N 3.19Å; E355-L359 VanDerWaalsContact O-CG 3.28Å; E355-L359 WeakPolarHBondContact O-CG 3.36Å; E355-L359 PolarHBondContact O-N 2.91Å; E355-L359 VanDerWaalsContact O-N 3.12Å
356	A	95.2	Very high	93.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.7	-48.6	172.9	0	0	0	0	0	112.2	A344 K347 R348 K352 A353 E354 R358 L359 Y360	A344-A356 HydrophobicContact CB-CB 4.45Å; A344-A356 WeakPolarHBondContact CB-O 3.44Å; A344-A356 VanDerWaalsContact O-CB 3.32Å; A344-A356 WeakPolarHBondContact O-CB 3.48Å; K347-A356 HydrophobicContact CB-CB 3.96Å; R348-A356 HydrophobicContact CB-CB 3.99Å; K352-A356 PolarHBondContact O-N 2.81Å; A353-A356 WeakPolarHBondContact O-CB 3.38Å; A353-A356 PolarHBondContact O-N 2.65Å; E354-A356 VanDerWaalsContact C-N 3.33Å; A356-R358 PolarHBondContact O-N 2.99Å; A356-L359 PolarHBondContact O-N 3.35Å; A356-Y360 HydrophobicContact CB-CE2 4.06Å; A356-Y360 WeakPolarHBondContact O-CD2 3.45Å; A356-Y360 PolarHBondContact O-N 2.97Å
357	I	94.2	Very high	93.3	Very high	25 Å²	25	63.9 Å²	63.9	13%	0.128	30%	0.303	C	S	.	.	H	α-helix	trans	-59.6	-47	179.6	-70.3	166.6	0	0	0	111.4	A353 E354 L359 Y360 V361 L377 M380 Q384	A353-I357 WeakPolarHBondContact O-CG1 3.24Å; A353-I357 PolarHBondContact O-N 3.11Å; E354-I357 PolarHBondContact O-N 3.05Å; I357-L359 VanDerWaalsContact C-N 3.26Å; I357-L359 PolarHBondContact O-N 2.83Å; I357-Y360 PolarHBondContact O-N 2.95Å; I357-V361 HydrophobicContact CG2-CG2 4.4Å; I357-V361 WeakPolarHBondContact O-CG2 3.25Å; I357-V361 PolarHBondContact O-N 3.4Å; I357-L377 HydrophobicContact CG1-CD1 4.39Å; I357-L377 HydrophobicContact CG2-CD1 3.97Å; I357-M380 HydrophobicContact CD1-CB 4.06Å; I357-M380 HydrophobicContact CD1-CE 4.47Å; I357-M380 HydrophobicContact CG1-CB 3.71Å; I357-M380 HydrophobicContact CG1-CE 4.43Å; I357-M380 HydrophobicContact CG1-CG 4.22Å; I357-Q384 VanDerWaalsContact CD1-CD 3.44Å; I357-Q384 HydrophobicContact CD1-CG 4.39Å
358	R	96.5	Very high	93.5	Very high	166 Å²	166	66.9 Å²	66.9	63%	0.626	32%	0.324	S	S	*	.	H	α-helix	trans	-59	-39	177.4	-74.7	-172.1	-66.5	163.8	0.6	112.3	E354 E355 A356 R362	E354-R358 WeakPolarHBondContact O-CG 3.5Å; E354-R358 PolarHBondContact O-N 2.89Å; E355-R358 PolarHBondContact O-N 3.19Å; A356-R358 PolarHBondContact O-N 2.99Å; R358-R362 WeakPolarHBondContact O-CB 3.27Å; R358-R362 PolarHBondContact O-N 3.18Å
359	L	97.7	Very high	93.8	Very high	23 Å²	23	66.2 Å²	66.2	12%	0.12	33%	0.325	C	S	.	.	H	α-helix	trans	-69.9	-40.7	178.1	-71.6	169.3	0	0	0	112.5	L340 L343 A344 K347 E355 A356 I357 R362 A363	L340-L359 HydrophobicContact CD2-CD2 3.84Å; L343-L359 HydrophobicContact CB-CD1 4.25Å; L343-L359 HydrophobicContact CD2-CD1 3.92Å; L343-L359 HydrophobicContact CD2-CD2 4.17Å; L343-L359 HydrophobicContact CG-CD1 3.73Å; A344-L359 HydrophobicContact CB-CB 3.59Å; A344-L359 HydrophobicContact CB-CD1 4.32Å; K347-L359 HydrophobicContact CG-CD1 3.77Å; E355-L359 VanDerWaalsContact O-CG 3.28Å; E355-L359 WeakPolarHBondContact O-CG 3.36Å; E355-L359 PolarHBondContact O-N 2.91Å; E355-L359 VanDerWaalsContact O-N 3.12Å; A356-L359 PolarHBondContact O-N 3.35Å; I357-L359 VanDerWaalsContact C-N 3.26Å; I357-L359 PolarHBondContact O-N 2.83Å; L359-R362 PolarHBondContact O-N 3.31Å; L359-A363 PolarHBondContact O-N 2.76Å
360	Y	98.1	Very high	94.3	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.5	-43.6	173.8	-67.1	-56.3	0	0	0	112.1	N341 A344 N345 A356 I357 R362 A363 L364 N376 L377 M380	N341-Y360 WeakPolarHBondContact OD1-CD1 3.45Å; N341-Y360 WeakPolarHBondContact OD1-CE1 3.38Å; A344-Y360 HydrophobicContact CB-CD1 3.54Å; A344-Y360 HydrophobicContact CB-CD2 3.96Å; A344-Y360 HydrophobicContact CB-CE1 3.35Å; A344-Y360 HydrophobicContact CB-CE2 3.79Å; A344-Y360 HydrophobicContact CB-CG 3.83Å; A344-Y360 VanDerWaalsContact CB-CZ 3.47Å; N345-Y360 WeakPolarHBondContact CA-OH 3.26Å; N345-Y360 PolarHBondContact N-OH 2.89Å; N345-Y360 PolarHBondContact OD1-OH 3.32Å; A356-Y360 HydrophobicContact CB-CE2 4.06Å; A356-Y360 WeakPolarHBondContact O-CD2 3.45Å; A356-Y360 PolarHBondContact O-N 2.97Å; I357-Y360 PolarHBondContact O-N 2.95Å; Y360-R362 PolarHBondContact O-N 2.97Å; Y360-A363 WeakPolarHBondContact O-CB 3.46Å; Y360-A363 PolarHBondContact O-N 2.9Å; Y360-L364 WeakPolarHBondContact O-CG 3.42Å; Y360-L364 PolarHBondContact O-N 2.93Å; Y360-N376 HydrophobicContact CD1-CB 3.96Å; Y360-N376 HydrophobicContact CE1-CB 3.37Å; Y360-N376 HydrophobicContact CE2-CB 4.21Å; Y360-L377 HydrophobicContact CG-CB 4.4Å; Y360-M380 HydrophobicContact CD2-CG 4.37Å; Y360-M380 HydrophobicContact CE2-CG 3.89Å
361	V	97.9	Very high	94.7	Very high	56 Å²	56	59.9 Å²	59.9	34%	0.339	30%	0.297	S	S	.	.	H	α-helix	trans	-59.9	-47.6	176.9	170.7	0	0	0	0	110.2	I357 A363 L364 E365 L377	I357-V361 HydrophobicContact CG2-CG2 4.4Å; I357-V361 WeakPolarHBondContact O-CG2 3.25Å; I357-V361 PolarHBondContact O-N 3.4Å; V361-A363 VanDerWaalsContact C-N 3.3Å; V361-A363 PolarHBondContact O-N 3.43Å; V361-L364 CarbonylContact O-C 3.56Å; V361-L364 PolarHBondContact O-N 2.8Å; V361-L364 VanDerWaalsContact O-N 3.09Å; V361-E365 HydrophobicContact CG1-CG 4.41Å; V361-E365 WeakPolarHBondContact O-CG 3.3Å; V361-E365 PolarHBondContact O-N 3.13Å; V361-L377 HydrophobicContact CG2-CD1 4.38Å; V361-L377 HydrophobicContact CG2-CD2 4.08Å
362	R	97.7	Very high	95.4	Very high	102 Å²	102	59.7 Å²	59.7	39%	0.385	28%	0.284	S	S	.	.	H	α-helix	trans	-60.4	-39	176.6	-171.3	-178.3	167.4	-174.4	-3.8	112.4	P334 L340 R358 L359 Y360 L364 E365 I366	P334-R362 PolarHBondContact O-NH2 2.91Å; L340-R362 HydrophobicContact CD1-CB 4.28Å; L340-R362 HydrophobicContact CD1-CG 3.81Å; L340-R362 HydrophobicContact CD2-CG 4.49Å; R358-R362 WeakPolarHBondContact O-CB 3.27Å; R358-R362 PolarHBondContact O-N 3.18Å; L359-R362 PolarHBondContact O-N 3.31Å; Y360-R362 PolarHBondContact O-N 2.97Å; R362-L364 VanDerWaalsContact C-N 3.3Å; R362-L364 PolarHBondContact O-N 3.31Å; R362-E365 PolarHBondContact O-N 3.12Å; R362-I366 HydrophobicContact CG-CD1 4.21Å; R362-I366 WeakPolarHBondContact O-CD1 3.41Å; R362-I366 WeakPolarHBondContact O-CG1 3.4Å; R362-I366 PolarHBondContact O-N 3.48Å
363	A	98	Very high	95.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.5	-41.3	175.4	0	0	0	0	0	111.6	L340 N341 L359 Y360 V361 I366 Y367 F370 A373	L340-A363 HydrophobicContact CB-CB 3.8Å; L340-A363 HydrophobicContact CD1-CB 4.42Å; N341-A363 HydrophobicContact CB-CB 4.49Å; L359-A363 PolarHBondContact O-N 2.76Å; Y360-A363 WeakPolarHBondContact O-CB 3.46Å; Y360-A363 PolarHBondContact O-N 2.9Å; V361-A363 VanDerWaalsContact C-N 3.3Å; V361-A363 PolarHBondContact O-N 3.43Å; A363-I366 PolarHBondContact O-N 2.85Å; A363-Y367 PolarHBondContact O-N 3.06Å; A363-F370 HydrophobicContact CB-CD1 4.5Å; A363-A373 HydrophobicContact CB-CB 4.49Å
364	L	97.8	Very high	96.4	Very high	18 Å²	18	55.1 Å²	55.1	9%	0.094	26%	0.261	C	S	.	.	H	α-helix	trans	-75	-29.7	178.5	-69	170.9	0	0	0	113.7	Y360 V361 R362 I366 Y367 P368 F370 A373 H374 L377	Y360-L364 WeakPolarHBondContact O-CG 3.42Å; Y360-L364 PolarHBondContact O-N 2.93Å; V361-L364 CarbonylContact O-C 3.56Å; V361-L364 PolarHBondContact O-N 2.8Å; V361-L364 VanDerWaalsContact O-N 3.09Å; R362-L364 VanDerWaalsContact C-N 3.3Å; R362-L364 PolarHBondContact O-N 3.31Å; L364-I366 VanDerWaalsContact C-N 3.27Å; L364-I366 PolarHBondContact O-N 3.02Å; L364-Y367 CarbonylContact O-C 3.28Å; L364-P368 VanDerWaalsContact O-CA 3.31Å; L364-P368 WeakPolarHBondContact O-CA 3.36Å; L364-P368 WeakPolarHBondContact O-CD 3.14Å; L364-P368 WeakPolarHBondContact O-CG 3.34Å; L364-F370 HydrophobicContact CD2-CB 4.08Å; L364-A373 HydrophobicContact CD2-CB 3.82Å; L364-A373 HydrophobicContact CG-CB 4Å; L364-H374 WeakPolarHBondContact CD1-ND1 3.26Å; L364-L377 HydrophobicContact CD1-CD2 3.69Å
365	E	97.6	Very high	97	Very high	144 Å²	144	50.3 Å²	50.3	67%	0.673	24%	0.239	S	C	*	.	H	α-helix	trans	-63	-36.9	171.1	-74.1	172.3	172.3	0	0	111.5	V361 R362	V361-E365 HydrophobicContact CG1-CG 4.41Å; V361-E365 WeakPolarHBondContact O-CG 3.3Å; V361-E365 PolarHBondContact O-N 3.13Å; R362-E365 PolarHBondContact O-N 3.12Å
366	I	97	Very high	97.2	Very high	63 Å²	63	48.5 Å²	48.5	32%	0.323	23%	0.231	S	C	.	.	H	α-helix	trans	-80.4	-43.7	178.5	-67.1	156.9	0	0	0	111.2	T335 A337 L340 R362 A363 L364	T335-I366 HydrophobicContact CG2-CD1 4.46Å; T335-I366 HydrophobicContact CG2-CG1 4.49Å; T335-I366 WeakPolarHBondContact O-CG2 3.35Å; A337-I366 HydrophobicContact CB-CG2 4.5Å; L340-I366 HydrophobicContact CD1-CD1 3.39Å; R362-I366 HydrophobicContact CG-CD1 4.21Å; R362-I366 WeakPolarHBondContact O-CD1 3.41Å; R362-I366 WeakPolarHBondContact O-CG1 3.4Å; R362-I366 PolarHBondContact O-N 3.48Å; A363-I366 PolarHBondContact O-N 2.85Å; L364-I366 VanDerWaalsContact C-N 3.27Å; L364-I366 PolarHBondContact O-N 3.02Å
367	Y	97.2	Very high	97.3	Very high	121 Å²	121	48.7 Å²	48.7	48%	0.475	23%	0.232	S	C	.	.			trans	-132.1	88.4	-178.1	-176	-140	0	0	0	110.8	A363 L364 E369 F370	A363-Y367 PolarHBondContact O-N 3.06Å; L364-Y367 CarbonylContact O-C 3.28Å; Y367-E369 VanDerWaalsContact C-N 3.32Å; Y367-E369 HydrophobicContact CE2-CB 3.88Å; Y367-E369 PolarHBondContact O-N 2.79Å; Y367-F370 HydrophobicContact CD1-CB 3.44Å; Y367-F370 VanDerWaalsContact CD1-CB 3.44Å; Y367-F370 HydrophobicContact CD1-CD1 4.07Å; Y367-F370 HydrophobicContact CD1-CD2 4.34Å; Y367-F370 AromaticContact CD1-CG 3.73Å; Y367-F370 HydrophobicContact CD1-CG 3.73Å; Y367-F370 HydrophobicContact CE1-CB 3.87Å; Y367-F370 HydrophobicContact CE1-CD2 4.32Å; Y367-F370 HydrophobicContact CE1-CG 4.13Å; Y367-F370 HydrophobicContact CG-CB 4.15Å; Y367-F370 VanDerWaalsContact O-CB 3.26Å; Y367-F370 WeakPolarHBondContact O-CB 3.47Å; Y367-F370 PolarHBondContact O-N 2.97Å
368	P	97.3	Very high	97.4	Very high	76 Å²	76	47.5 Å²	47.5	49%	0.494	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-31.7	-177.8	-26.8	35.5	0	0	0	114.5	L364 F370 H374	L364-P368 VanDerWaalsContact O-CA 3.31Å; L364-P368 WeakPolarHBondContact O-CA 3.36Å; L364-P368 WeakPolarHBondContact O-CD 3.14Å; L364-P368 WeakPolarHBondContact O-CG 3.34Å; P368-F370 PolarHBondContact O-N 3.27Å; P368-F370 VanDerWaalsContact O-N 3.08Å; P368-H374 PolarHBondContact O-NE2 3.31Å; P368-H374 VanDerWaalsContact O-NE2 3.17Å
369	E	96.4	Very high	97.3	Very high	78 Å²	78	40.6 Å²	40.6	36%	0.364	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	26.9	178.5	-62.1	-65.3	109.3	0	0	112.6	Y367 A371 R399 I400	Y367-E369 VanDerWaalsContact C-N 3.32Å; Y367-E369 HydrophobicContact CE2-CB 3.88Å; Y367-E369 PolarHBondContact O-N 2.79Å; E369-A371 PolarHBondContact O-N 3.28Å; E369-R399 IonicContact OE1-CZ 3.61Å; E369-R399 IonicContact OE1-NH1 3.08Å; E369-R399 IonicContact OE1-NH2 2.69Å; E369-R399 PolarHBondContact OE1-NH2 3.37Å; E369-R399 IonicContact OE2-CZ 3.18Å; E369-R399 IonicContact OE2-NH1 2.82Å; E369-R399 PolarHBondContact OE2-NH1 2.87Å; E369-R399 VanDerWaalsContact OE2-NH1 3.12Å; E369-R399 IonicContact OE2-NH2 2.72Å; E369-I400 HydrophobicContact CB-CG2 4.43Å; E369-I400 WeakPolarHBondContact O-CG2 3.21Å
370	F	97.3	Very high	97	Very high	22 Å²	22	39.9 Å²	39.9	10%	0.096	20%	0.2	C	C	.	.			trans	-88.8	83.3	179.2	-160.1	177.8	0	0	0	112.2	A337 D338 N341 A363 L364 Y367 P368 V372 A373 H374	A337-F370 HydrophobicContact CB-CD1 4.28Å; A337-F370 HydrophobicContact CB-CE1 4.28Å; D338-F370 WeakPolarHBondContact OD1-CZ 3.26Å; N341-F370 HydrophobicContact CB-CE1 3.64Å; N341-F370 HydrophobicContact CB-CZ 4.04Å; A363-F370 HydrophobicContact CB-CD1 4.5Å; L364-F370 HydrophobicContact CD2-CB 4.08Å; Y367-F370 HydrophobicContact CD1-CB 3.44Å; Y367-F370 VanDerWaalsContact CD1-CB 3.44Å; Y367-F370 HydrophobicContact CD1-CD1 4.07Å; Y367-F370 HydrophobicContact CD1-CD2 4.34Å; Y367-F370 AromaticContact CD1-CG 3.73Å; Y367-F370 HydrophobicContact CD1-CG 3.73Å; Y367-F370 HydrophobicContact CE1-CB 3.87Å; Y367-F370 HydrophobicContact CE1-CD2 4.32Å; Y367-F370 HydrophobicContact CE1-CG 4.13Å; Y367-F370 HydrophobicContact CG-CB 4.15Å; Y367-F370 VanDerWaalsContact O-CB 3.26Å; Y367-F370 WeakPolarHBondContact O-CB 3.47Å; Y367-F370 PolarHBondContact O-N 2.97Å; P368-F370 PolarHBondContact O-N 3.27Å; P368-F370 VanDerWaalsContact O-N 3.08Å; F370-V372 VanDerWaalsContact C-N 3.28Å; F370-V372 HydrophobicContact CD2-CB 4.23Å; F370-V372 HydrophobicContact CE2-CB 3.92Å; F370-V372 HydrophobicContact CE2-CG2 4.49Å; F370-V372 PolarHBondContact O-N 3.08Å; F370-V372 VanDerWaalsContact O-N 3.15Å; F370-A373 HydrophobicContact CB-CB 4.01Å; F370-A373 HydrophobicContact CD1-CB 3.56Å; F370-A373 HydrophobicContact CD2-CB 4.41Å; F370-A373 HydrophobicContact CE1-CB 4.14Å; F370-A373 HydrophobicContact CG-CB 3.72Å; F370-A373 PolarHBondContact O-N 3.01Å; F370-A373 VanDerWaalsContact O-N 3.09Å; F370-H374 PolarHBondContact O-N 2.91Å; F370-H374 VanDerWaalsContact O-N 3.12Å
371	A	97.1	Very high	96.6	Very high	13 Å²	13	40.3 Å²	40.3	11%	0.107	20%	0.202	C	C	.	.	H	α-helix	trans	-52.1	-40.5	-175.9	0	0	0	0	0	114.4	E369 H374 S375 A397 I400 F404	E369-A371 PolarHBondContact O-N 3.28Å; A371-H374 PolarHBondContact O-N 3.02Å; A371-S375 PolarHBondContact O-N 2.86Å; A371-A397 HydrophobicContact CB-CB 4.5Å; A371-A397 WeakPolarHBondContact O-CB 3.31Å; A371-I400 HydrophobicContact CB-CB 4.01Å; A371-I400 HydrophobicContact CB-CG2 3.83Å; A371-F404 HydrophobicContact CB-CD1 4.28Å; A371-F404 HydrophobicContact CB-CE1 4.46Å
372	V	96.8	Very high	96.2	Very high	60 Å²	60	39.1 Å²	39.1	36%	0.364	19%	0.193	S	C	.	.	H	α-helix	trans	-66.3	-43.7	180	177.3	0	0	0	0	111.4	F370 H374 S375 N376 F404	F370-V372 VanDerWaalsContact C-N 3.28Å; F370-V372 HydrophobicContact CD2-CB 4.23Å; F370-V372 HydrophobicContact CE2-CB 3.92Å; F370-V372 HydrophobicContact CE2-CG2 4.49Å; F370-V372 PolarHBondContact O-N 3.08Å; F370-V372 VanDerWaalsContact O-N 3.15Å; V372-H374 VanDerWaalsContact C-N 3.32Å; V372-H374 PolarHBondContact O-N 2.88Å; V372-S375 PolarHBondContact O-N 3.31Å; V372-N376 WeakPolarHBondContact O-CB 3.5Å; V372-N376 VanDerWaalsContact O-CG 3.3Å; V372-N376 PolarHBondContact O-N 2.83Å; V372-N376 PolarHBondContact O-ND2 2.94Å; V372-F404 HydrophobicContact CG2-CE1 4.3Å; V372-F404 HydrophobicContact CG2-CZ 4.17Å
373	A	97.5	Very high	95.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.4	-38.3	177.8	0	0	0	0	0	111.7	N341 A363 L364 F370 N376 L377	N341-A373 HydrophobicContact CB-CB 4.49Å; N341-A373 WeakPolarHBondContact OD1-CA 3.48Å; A363-A373 HydrophobicContact CB-CB 4.49Å; L364-A373 HydrophobicContact CD2-CB 3.82Å; L364-A373 HydrophobicContact CG-CB 4Å; F370-A373 HydrophobicContact CB-CB 4.01Å; F370-A373 HydrophobicContact CD1-CB 3.56Å; F370-A373 HydrophobicContact CD2-CB 4.41Å; F370-A373 HydrophobicContact CE1-CB 4.14Å; F370-A373 HydrophobicContact CG-CB 3.72Å; F370-A373 PolarHBondContact O-N 3.01Å; F370-A373 VanDerWaalsContact O-N 3.09Å; A373-N376 PolarHBondContact O-N 3.39Å; A373-L377 VanDerWaalsContact O-CB 3.28Å; A373-L377 WeakPolarHBondContact O-CB 3.46Å; A373-L377 PolarHBondContact O-N 3.37Å
374	H	98.4	Very high	94.7	Very high	18 Å²	18	41.5 Å²	41.5	8%	0.083	21%	0.211	C	C	.	.	H	α-helix	trans	-59	-49	171.1	-86.2	-52.6	0	0	0	112.5	L364 P368 F370 A371 V372 N376 L377 A378 H393 A397	L364-H374 WeakPolarHBondContact CD1-ND1 3.26Å; P368-H374 PolarHBondContact O-NE2 3.31Å; P368-H374 VanDerWaalsContact O-NE2 3.17Å; F370-H374 PolarHBondContact O-N 2.91Å; F370-H374 VanDerWaalsContact O-N 3.12Å; A371-H374 PolarHBondContact O-N 3.02Å; V372-H374 VanDerWaalsContact C-N 3.32Å; V372-H374 PolarHBondContact O-N 2.88Å; H374-N376 PolarHBondContact O-N 3.46Å; H374-L377 PolarHBondContact O-N 2.86Å; H374-A378 VanDerWaalsContact O-CB 3.32Å; H374-A378 WeakPolarHBondContact O-CB 3.17Å; H374-A378 PolarHBondContact O-N 3.34Å; H374-H393 AromaticContact CE1-ND1 3.47Å; H374-H393 PolarHBondContact CE1-ND1 3.17Å; H374-H393 AromaticContact ND1-CE1 3.81Å; H374-H393 AromaticContact ND1-CG 3.85Å; H374-H393 AromaticContact ND1-ND1 2.94Å; H374-H393 PolarHBondContact ND1-ND1 3.04Å; H374-A397 HydrophobicContact CB-CB 3.92Å
375	S	98.1	Very high	93.7	Very high	5 Å²	5	43 Å²	43	4%	0.035	23%	0.23	C	C	.	.	H	α-helix	trans	-62	-41.4	178.9	-173.7	0	0	0	0	112.6	A371 V372 A378 S379	A371-S375 PolarHBondContact O-N 2.86Å; V372-S375 PolarHBondContact O-N 3.31Å; S375-A378 PolarHBondContact O-N 3.14Å; S375-S379 PolarHBondContact O-N 3.47Å; S375-S379 VanDerWaalsContact O-N 3.08Å
376	N	97.2	Very high	93.1	Very high	28 Å²	28	40.4 Å²	40.4	15%	0.15	22%	0.217	C	C	.	.	H	α-helix	trans	-67.5	-43.8	177.8	-70.3	-24.6	0	0	0	112.2	N341 N345 Y360 V372 A373 H374 A378 S379 M380	N341-N376 PolarHBondContact OD1-ND2 2.95Å; N345-N376 PolarHBondContact OD1-ND2 2.99Å; Y360-N376 HydrophobicContact CD1-CB 3.96Å; Y360-N376 HydrophobicContact CE1-CB 3.37Å; Y360-N376 HydrophobicContact CE2-CB 4.21Å; V372-N376 WeakPolarHBondContact O-CB 3.5Å; V372-N376 VanDerWaalsContact O-CG 3.3Å; V372-N376 PolarHBondContact O-N 2.83Å; V372-N376 PolarHBondContact O-ND2 2.94Å; A373-N376 PolarHBondContact O-N 3.39Å; H374-N376 PolarHBondContact O-N 3.46Å; N376-A378 VanDerWaalsContact C-N 3.35Å; N376-S379 WeakPolarHBondContact O-CB 3.37Å; N376-S379 PolarHBondContact O-N 3.11Å; N376-M380 PolarHBondContact O-N 3.01Å
377	L	97.5	Very high	92.7	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-61.8	-44	175	178.4	56.7	0	0	0	111.2	I357 Y360 V361 L364 A373 H374 S379 M380 L381 H393	I357-L377 HydrophobicContact CG1-CD1 4.39Å; I357-L377 HydrophobicContact CG2-CD1 3.97Å; Y360-L377 HydrophobicContact CG-CB 4.4Å; V361-L377 HydrophobicContact CG2-CD1 4.38Å; V361-L377 HydrophobicContact CG2-CD2 4.08Å; L364-L377 HydrophobicContact CD1-CD2 3.69Å; A373-L377 VanDerWaalsContact O-CB 3.28Å; A373-L377 WeakPolarHBondContact O-CB 3.46Å; A373-L377 PolarHBondContact O-N 3.37Å; H374-L377 PolarHBondContact O-N 2.86Å; L377-S379 VanDerWaalsContact C-N 3.28Å; L377-S379 PolarHBondContact O-N 3.16Å; L377-M380 WeakPolarHBondContact O-CB 3.45Å; L377-M380 PolarHBondContact O-N 2.68Å; L377-M380 VanDerWaalsContact O-N 3.1Å; L377-L381 HydrophobicContact CD1-CD1 4.2Å; L377-L381 HydrophobicContact CD1-CG 4.21Å; L377-L381 HydrophobicContact CG-CD1 3.93Å; L377-L381 HydrophobicContact CG-CG 4.42Å; L377-L381 WeakPolarHBondContact O-CG 3.16Å; L377-L381 PolarHBondContact O-N 2.73Å; L377-H393 WeakPolarHBondContact CD2-NE2 3.29Å
378	A	97.3	Very high	92.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57.1	-42.5	176.3	0	0	0	0	0	111.9	H374 S375 N376 M380 L381 Q382 A390 H393 Y394	H374-A378 VanDerWaalsContact O-CB 3.32Å; H374-A378 WeakPolarHBondContact O-CB 3.17Å; H374-A378 PolarHBondContact O-N 3.34Å; S375-A378 PolarHBondContact O-N 3.14Å; N376-A378 VanDerWaalsContact C-N 3.35Å; A378-M380 VanDerWaalsContact C-N 3.33Å; A378-M380 PolarHBondContact O-N 2.92Å; A378-L381 PolarHBondContact O-N 2.95Å; A378-Q382 WeakPolarHBondContact O-CB 3.21Å; A378-Q382 PolarHBondContact O-N 2.89Å; A378-A390 HydrophobicContact CB-CB 4.39Å; A378-A390 WeakPolarHBondContact CB-O 3.43Å; A378-A390 VanDerWaalsContact O-CB 3.29Å; A378-A390 WeakPolarHBondContact O-CB 3.35Å; A378-H393 HydrophobicContact CB-CB 3.77Å; A378-Y394 HydrophobicContact CB-CD1 3.8Å; A378-Y394 HydrophobicContact CB-CD2 3.68Å; A378-Y394 HydrophobicContact CB-CE1 3.6Å; A378-Y394 HydrophobicContact CB-CE2 3.49Å; A378-Y394 VanDerWaalsContact CB-CE2 3.49Å; A378-Y394 HydrophobicContact CB-CG 3.8Å; A378-Y394 VanDerWaalsContact CB-CZ 3.41Å
379	S	93.7	Very high	92.3	Very high	22 Å²	22	39.1 Å²	39.1	15%	0.154	21%	0.208	C	C	.	.	H	α-helix	trans	-61.2	-40.2	176.1	-177.8	0	0	0	0	112.1	S375 N376 L377 Q382 L383 Y394	S375-S379 PolarHBondContact O-N 3.47Å; S375-S379 VanDerWaalsContact O-N 3.08Å; N376-S379 WeakPolarHBondContact O-CB 3.37Å; N376-S379 PolarHBondContact O-N 3.11Å; L377-S379 VanDerWaalsContact C-N 3.28Å; L377-S379 PolarHBondContact O-N 3.16Å; S379-Q382 WeakPolarHBondContact O-CB 3.28Å; S379-Q382 PolarHBondContact O-N 3.04Å; S379-L383 WeakPolarHBondContact O-CG 3.37Å; S379-L383 PolarHBondContact O-N 2.85Å; S379-L383 VanDerWaalsContact O-N 3.16Å; S379-Y394 VanDerWaalsContact CA-OH 3.31Å; S379-Y394 WeakPolarHBondContact CA-OH 3.13Å; S379-Y394 PolarHBondContact N-OH 3.09Å
380	M	90.5	Very high	92.3	Very high	7 Å²	7	35.4 Å²	35.4	3%	0.034	19%	0.191	C	C	.	.	H	α-helix	trans	-67.8	-40.6	175.7	-68.4	-55.3	-60.8	0	0	112.8	R348 A353 I357 Y360 N376 L377 A378 Q382 L383 Q384	R348-M380 HydrophobicContact CB-SD 4.26Å; R348-M380 WeakPolarHBondContact CD-SD 3.24Å; R348-M380 HydrophobicContact CG-CE 4.34Å; R348-M380 HydrophobicContact CG-SD 3.46Å; R348-M380 WeakPolarHBondContact CG-SD 3.45Å; A353-M380 HydrophobicContact CB-CE 3.45Å; A353-M380 VanDerWaalsContact CB-CE 3.45Å; I357-M380 HydrophobicContact CD1-CB 4.06Å; I357-M380 HydrophobicContact CD1-CE 4.47Å; I357-M380 HydrophobicContact CG1-CB 3.71Å; I357-M380 HydrophobicContact CG1-CE 4.43Å; I357-M380 HydrophobicContact CG1-CG 4.22Å; Y360-M380 HydrophobicContact CD2-CG 4.37Å; Y360-M380 HydrophobicContact CE2-CG 3.89Å; N376-M380 PolarHBondContact O-N 3.01Å; L377-M380 WeakPolarHBondContact O-CB 3.45Å; L377-M380 PolarHBondContact O-N 2.68Å; L377-M380 VanDerWaalsContact O-N 3.1Å; A378-M380 VanDerWaalsContact C-N 3.33Å; A378-M380 PolarHBondContact O-N 2.92Å; M380-Q382 VanDerWaalsContact C-N 3.31Å; M380-L383 PolarHBondContact O-N 3.13Å; M380-L383 HydrophobicContact SD-CD1 4.28Å; M380-Q384 PolarHBondContact O-N 2.92Å; M380-Q384 VanDerWaalsContact O-N 3.1Å
381	L	90.7	Very high	92.3	Very high	9 Å²	9	34.6 Å²	34.6	5%	0.047	19%	0.187	C	C	.	.	H	α-helix	trans	-65.8	-36.6	176.6	-69.5	167.1	0	0	0	111.6	L377 A378 Q384 G385 K386 E389 A390 H393	L377-L381 HydrophobicContact CD1-CD1 4.2Å; L377-L381 HydrophobicContact CD1-CG 4.21Å; L377-L381 HydrophobicContact CG-CD1 3.93Å; L377-L381 HydrophobicContact CG-CG 4.42Å; L377-L381 WeakPolarHBondContact O-CG 3.16Å; L377-L381 PolarHBondContact O-N 2.73Å; A378-L381 PolarHBondContact O-N 2.95Å; L381-Q384 CarbonylContact O-C 3.04Å; L381-Q384 PolarHBondContact O-N 3.39Å; L381-G385 PolarHBondContact O-N 3.42Å; L381-K386 HydrophobicContact CB-CB 4.27Å; L381-K386 HydrophobicContact CD2-CB 4.28Å; L381-K386 HydrophobicContact CD2-CD 3.69Å; L381-K386 PolarHBondContact O-N 3.18Å; L381-E389 HydrophobicContact CD1-CB 4.04Å; L381-A390 HydrophobicContact CB-CB 4.02Å; L381-H393 VanDerWaalsContact CD1-CD2 3.41Å; L381-H393 WeakPolarHBondContact CD1-CD2 3.48Å
382	Q	89	Confident	92.3	Very high	31 Å²	31	38.9 Å²	38.9	15%	0.145	21%	0.208	C	C	.	.	H	α-helix	trans	-59.3	-47.5	172.2	-172.8	-172.8	12.2	0	0	110.9	A378 S379 M380 Q384 G385 L387 A390 E417	A378-Q382 WeakPolarHBondContact O-CB 3.21Å; A378-Q382 PolarHBondContact O-N 2.89Å; S379-Q382 WeakPolarHBondContact O-CB 3.28Å; S379-Q382 PolarHBondContact O-N 3.04Å; M380-Q382 VanDerWaalsContact C-N 3.31Å; Q382-Q384 PolarHBondContact O-N 3.4Å; Q382-G385 WeakPolarHBondContact O-CA 3.36Å; Q382-G385 PolarHBondContact O-N 3.45Å; Q382-L387 HydrophobicContact CG-CD2 3.88Å; Q382-A390 HydrophobicContact CB-CB 4.21Å; Q382-E417 PolarHBondContact NE2-OE2 3.1Å
383	L	83	Confident	92.4	Very high	102 Å²	102	38.3 Å²	38.3	53%	0.534	20%	0.201	S	C	.	.	H	α-helix	trans	-61.2	-30.9	176.7	-69.6	174.1	0	0	0	113.1	S379 M380 G385	S379-L383 WeakPolarHBondContact O-CG 3.37Å; S379-L383 PolarHBondContact O-N 2.85Å; S379-L383 VanDerWaalsContact O-N 3.16Å; M380-L383 PolarHBondContact O-N 3.13Å; M380-L383 HydrophobicContact SD-CD1 4.28Å; L383-G385 PolarHBondContact O-N 3.28Å
384	Q	81.3	Confident	92.4	Very high	51 Å²	51	38.3 Å²	38.3	24%	0.238	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-3.5	172.9	-69.3	-174.3	-28.9	0	0	113.8	I357 M380 L381 Q382 K386 L547	I357-Q384 VanDerWaalsContact CD1-CD 3.44Å; I357-Q384 HydrophobicContact CD1-CG 4.39Å; M380-Q384 PolarHBondContact O-N 2.92Å; M380-Q384 VanDerWaalsContact O-N 3.1Å; L381-Q384 CarbonylContact O-C 3.04Å; L381-Q384 PolarHBondContact O-N 3.39Å; Q382-Q384 PolarHBondContact O-N 3.4Å; Q384-K386 VanDerWaalsContact C-N 3.26Å; Q384-K386 HydrophobicContact CB-CD 4.47Å; Q384-K386 HydrophobicContact CB-CG 4.33Å; Q384-K386 PolarHBondContact O-N 3Å; Q384-L547 HydrophobicContact CG-CD1 4.49Å
385	G	77.1	Confident	92.4	Very high	48 Å²	48	43.9 Å²	43.9	50%	0.495	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	8.9	-175.1	0	0	0	0	0	114.3	L381 Q382 L383 L387	L381-G385 PolarHBondContact O-N 3.42Å; Q382-G385 WeakPolarHBondContact O-CA 3.36Å; Q382-G385 PolarHBondContact O-N 3.45Å; L383-G385 PolarHBondContact O-N 3.28Å; G385-L387 PolarHBondContact O-N 3.2Å
386	K	85.4	Confident	92.4	Very high	91 Å²	91	47.1 Å²	47.1	40%	0.396	24%	0.236	S	C	.	.			trans	-83.4	59.7	176.3	-65.4	177.8	167.1	-165.1	0	110.8	L381 Q384 Q388 E389 A390	L381-K386 HydrophobicContact CB-CB 4.27Å; L381-K386 HydrophobicContact CD2-CB 4.28Å; L381-K386 HydrophobicContact CD2-CD 3.69Å; L381-K386 PolarHBondContact O-N 3.18Å; Q384-K386 VanDerWaalsContact C-N 3.26Å; Q384-K386 HydrophobicContact CB-CD 4.47Å; Q384-K386 HydrophobicContact CB-CG 4.33Å; Q384-K386 PolarHBondContact O-N 3Å; K386-Q388 VanDerWaalsContact C-N 3.33Å; K386-Q388 PolarHBondContact O-N 3.48Å; K386-E389 HydrophobicContact CB-CB 4.26Å; K386-E389 HydrophobicContact CB-CG 4.49Å; K386-E389 IonicContact NZ-OE2 3.34Å; K386-E389 PolarHBondContact O-N 2.65Å; K386-A390 PolarHBondContact O-N 2.87Å
387	L	88.9	Confident	92.5	Very high	25 Å²	25	45.8 Å²	45.8	13%	0.131	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-37	-167.5	-54.2	-179.2	0	0	0	113.2	Q382 G385 A390 L391 T414 E417 L418	Q382-L387 HydrophobicContact CG-CD2 3.88Å; G385-L387 PolarHBondContact O-N 3.2Å; L387-A390 WeakPolarHBondContact O-CB 3.48Å; L387-A390 PolarHBondContact O-N 3.08Å; L387-L391 WeakPolarHBondContact O-CG 3.29Å; L387-L391 PolarHBondContact O-N 2.87Å; L387-T414 HydrophobicContact CB-CG2 4.11Å; L387-T414 HydrophobicContact CD2-CG2 4.28Å; L387-E417 HydrophobicContact CD1-CB 4.13Å; L387-E417 HydrophobicContact CD1-CG 3.75Å; L387-E417 HydrophobicContact CD2-CG 4.31Å; L387-L418 HydrophobicContact CB-CD1 3.97Å; L387-L418 HydrophobicContact CB-CD2 3.85Å; L387-L418 HydrophobicContact CB-CG 3.83Å; L387-L418 HydrophobicContact CD1-CD2 3.78Å; L387-L418 HydrophobicContact CD1-CG 3.8Å; L387-L418 HydrophobicContact CG-CD2 4.46Å; L387-L418 HydrophobicContact CG-CG 4.46Å
388	Q	91.9	Very high	92.4	Very high	120 Å²	120	46.6 Å²	46.6	56%	0.561	23%	0.233	S	C	*	.	H	α-helix	trans	-68	-40.4	178	-66.4	-63.4	-19.8	0	0	112.2	K386 A390 L391 L392	K386-Q388 VanDerWaalsContact C-N 3.33Å; K386-Q388 PolarHBondContact O-N 3.48Å; Q388-A390 VanDerWaalsContact C-N 3.34Å; Q388-L391 PolarHBondContact O-N 3.12Å; Q388-L392 PolarHBondContact O-N 3.39Å
389	E	93.4	Very high	92.5	Very high	88 Å²	88	52.6 Å²	52.6	41%	0.411	26%	0.256	S	S	.	.	H	α-helix	trans	-66	-39.5	174.9	-64.3	172.5	-132.4	0	0	110.8	L381 K386 L391 L392 H393	L381-E389 HydrophobicContact CD1-CB 4.04Å; K386-E389 HydrophobicContact CB-CB 4.26Å; K386-E389 HydrophobicContact CB-CG 4.49Å; K386-E389 IonicContact NZ-OE2 3.34Å; K386-E389 PolarHBondContact O-N 2.65Å; E389-L391 PolarHBondContact O-N 3.34Å; E389-L392 PolarHBondContact O-N 3.42Å; E389-H393 PolarHBondContact O-CD2 2.93Å; E389-H393 PolarHBondContact O-N 3.46Å
390	A	96.4	Very high	92.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.3	-44.3	174.2	0	0	0	0	0	112.1	A378 L381 Q382 K386 L387 Q388 L392 H393 Y394 T414	A378-A390 HydrophobicContact CB-CB 4.39Å; A378-A390 WeakPolarHBondContact CB-O 3.43Å; A378-A390 VanDerWaalsContact O-CB 3.29Å; A378-A390 WeakPolarHBondContact O-CB 3.35Å; L381-A390 HydrophobicContact CB-CB 4.02Å; Q382-A390 HydrophobicContact CB-CB 4.21Å; K386-A390 PolarHBondContact O-N 2.87Å; L387-A390 WeakPolarHBondContact O-CB 3.48Å; L387-A390 PolarHBondContact O-N 3.08Å; Q388-A390 VanDerWaalsContact C-N 3.34Å; A390-L392 VanDerWaalsContact C-N 3.33Å; A390-L392 PolarHBondContact O-N 3.28Å; A390-H393 PolarHBondContact O-N 2.98Å; A390-Y394 HydrophobicContact CB-CE2 4.46Å; A390-Y394 VanDerWaalsContact O-CD2 3.24Å; A390-Y394 WeakPolarHBondContact O-CD2 3.12Å; A390-Y394 PolarHBondContact O-N 3.45Å; A390-T414 HydrophobicContact CB-CG2 4.19Å
391	L	97.3	Very high	93	Very high	5 Å²	5	55 Å²	55	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-38.7	176.7	-72.2	-176.7	0	0	0	113.1	L387 Q388 E389 Y394 R395 M411 T414 L415 L418	L387-L391 WeakPolarHBondContact O-CG 3.29Å; L387-L391 PolarHBondContact O-N 2.87Å; Q388-L391 PolarHBondContact O-N 3.12Å; E389-L391 PolarHBondContact O-N 3.34Å; L391-Y394 PolarHBondContact O-N 3.46Å; L391-R395 VanDerWaalsContact O-CG 3.3Å; L391-R395 WeakPolarHBondContact O-CG 3.41Å; L391-R395 PolarHBondContact O-N 3.11Å; L391-M411 HydrophobicContact CD2-CG 3.75Å; L391-T414 HydrophobicContact CD2-CG2 3.73Å; L391-T414 HydrophobicContact CG-CG2 3.91Å; L391-L415 HydrophobicContact CD1-CD2 3.78Å; L391-L415 HydrophobicContact CD2-CD2 3.79Å; L391-L415 HydrophobicContact CD2-CG 3.86Å; L391-L415 HydrophobicContact CG-CD2 4.46Å; L391-L418 HydrophobicContact CD1-CD1 3.43Å; L391-L418 VanDerWaalsContact CD1-CD1 3.43Å; L391-L418 HydrophobicContact CG-CD1 4.12Å
392	L	97.6	Very high	93.3	Very high	102 Å²	102	57.9 Å²	57.9	53%	0.534	29%	0.289	S	S	.	.	H	α-helix	trans	-60.6	-47.3	177.2	-70	172.1	0	0	0	110.8	Q388 E389 A390 R395 E396	Q388-L392 PolarHBondContact O-N 3.39Å; E389-L392 PolarHBondContact O-N 3.42Å; A390-L392 VanDerWaalsContact C-N 3.33Å; A390-L392 PolarHBondContact O-N 3.28Å; L392-R395 PolarHBondContact O-N 2.93Å; L392-E396 PolarHBondContact O-N 3.4Å
393	H	98.2	Very high	93.6	Very high	48 Å²	48	61.4 Å²	61.4	22%	0.222	31%	0.312	C	S	.	.	H	α-helix	trans	-68.7	-35.4	178.5	-74.8	-57.1	0	0	0	113.4	H374 L377 A378 L381 E389 A390 R395 E396 A397	H374-H393 AromaticContact CE1-ND1 3.47Å; H374-H393 PolarHBondContact CE1-ND1 3.17Å; H374-H393 AromaticContact ND1-CE1 3.81Å; H374-H393 AromaticContact ND1-CG 3.85Å; H374-H393 AromaticContact ND1-ND1 2.94Å; H374-H393 PolarHBondContact ND1-ND1 3.04Å; L377-H393 WeakPolarHBondContact CD2-NE2 3.29Å; A378-H393 HydrophobicContact CB-CB 3.77Å; L381-H393 VanDerWaalsContact CD1-CD2 3.41Å; L381-H393 WeakPolarHBondContact CD1-CD2 3.48Å; E389-H393 PolarHBondContact O-CD2 2.93Å; E389-H393 PolarHBondContact O-N 3.46Å; A390-H393 PolarHBondContact O-N 2.98Å; H393-R395 VanDerWaalsContact C-N 3.33Å; H393-R395 PolarHBondContact O-N 3.29Å; H393-E396 PolarHBondContact O-N 3.43Å; H393-A397 PolarHBondContact O-N 3.41Å
394	Y	98.4	Very high	94.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-39.6	171.8	-77.5	-52.2	0	0	0	112.5	A378 S379 A390 L391 A397 I398 A407 N410 M411 T414	A378-Y394 HydrophobicContact CB-CD1 3.8Å; A378-Y394 HydrophobicContact CB-CD2 3.68Å; A378-Y394 HydrophobicContact CB-CE1 3.6Å; A378-Y394 HydrophobicContact CB-CE2 3.49Å; A378-Y394 VanDerWaalsContact CB-CE2 3.49Å; A378-Y394 HydrophobicContact CB-CG 3.8Å; A378-Y394 VanDerWaalsContact CB-CZ 3.41Å; S379-Y394 VanDerWaalsContact CA-OH 3.31Å; S379-Y394 WeakPolarHBondContact CA-OH 3.13Å; S379-Y394 PolarHBondContact N-OH 3.09Å; A390-Y394 HydrophobicContact CB-CE2 4.46Å; A390-Y394 VanDerWaalsContact O-CD2 3.24Å; A390-Y394 WeakPolarHBondContact O-CD2 3.12Å; A390-Y394 PolarHBondContact O-N 3.45Å; L391-Y394 PolarHBondContact O-N 3.46Å; Y394-A397 PolarHBondContact O-N 2.86Å; Y394-I398 WeakPolarHBondContact O-CD1 3.27Å; Y394-I398 VanDerWaalsContact O-CG1 3.3Å; Y394-I398 WeakPolarHBondContact O-CG1 3.37Å; Y394-I398 PolarHBondContact O-N 2.84Å; Y394-A407 HydrophobicContact CD1-CB 4.38Å; Y394-N410 HydrophobicContact CD1-CB 4.46Å; Y394-N410 HydrophobicContact CE1-CB 3.57Å; Y394-N410 HydrophobicContact CE2-CB 4.27Å; Y394-N410 VanDerWaalsContact CZ-CB 3.47Å; Y394-N410 WeakPolarHBondContact OH-CB 3.43Å; Y394-M411 HydrophobicContact CD2-CB 4.06Å; Y394-M411 HydrophobicContact CD2-CG 4.4Å; Y394-M411 HydrophobicContact CG-CB 3.91Å; Y394-M411 HydrophobicContact CG-CG 4.37Å; Y394-T414 WeakPolarHBondContact CE2-OG1 3.37Å
395	R	98	Very high	95	Very high	136 Å²	136	56.4 Å²	56.4	51%	0.513	29%	0.287	S	S	.	.	H	α-helix	trans	-63.7	-41.5	175.7	-74	172.2	-179	162.4	1.8	111.9	L391 L392 H393 I398 R399 M411	L391-R395 VanDerWaalsContact O-CG 3.3Å; L391-R395 WeakPolarHBondContact O-CG 3.41Å; L391-R395 PolarHBondContact O-N 3.11Å; L392-R395 PolarHBondContact O-N 2.93Å; H393-R395 VanDerWaalsContact C-N 3.33Å; H393-R395 PolarHBondContact O-N 3.29Å; R395-I398 PolarHBondContact O-N 3.47Å; R395-R399 WeakPolarHBondContact O-CB 3.27Å; R395-R399 PolarHBondContact O-N 3.23Å; R395-M411 HydrophobicContact CG-SD 4.19Å
396	E	98.2	Very high	95.8	Very high	72 Å²	72	57.9 Å²	57.9	34%	0.336	28%	0.283	S	S	.	.	H	α-helix	trans	-63.1	-45.8	174	-72.7	-54.4	128.1	0	0	111.7	L392 H393 I398 R399 I400	L392-E396 PolarHBondContact O-N 3.4Å; H393-E396 PolarHBondContact O-N 3.43Å; E396-I398 VanDerWaalsContact C-N 3.26Å; E396-I398 PolarHBondContact O-N 2.7Å; E396-R399 WeakPolarHBondContact O-CB 3.02Å; E396-R399 PolarHBondContact O-N 3.4Å; E396-R399 VanDerWaalsContact O-N 3.12Å; E396-R399 IonicContact OE1-NE 3.58Å; E396-R399 IonicContact OE2-CZ 3.45Å; E396-R399 VanDerWaalsContact OE2-CZ 3.28Å; E396-R399 IonicContact OE2-NE 3.93Å; E396-R399 PolarHBondContact OE2-NE 3.35Å; E396-R399 IonicContact OE2-NH2 3.52Å; E396-R399 PolarHBondContact OE2-NH2 3.07Å; E396-I400 WeakPolarHBondContact O-CD1 3.44Å; E396-I400 VanDerWaalsContact O-CG1 3.23Å; E396-I400 WeakPolarHBondContact O-CG1 3.32Å; E396-I400 PolarHBondContact O-N 3.45Å
397	A	98.3	Very high	96.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-56.3	-41.5	175.9	0	0	0	0	0	112.4	A371 H374 H393 Y394 S401 F404 A407	A371-A397 HydrophobicContact CB-CB 4.5Å; A371-A397 WeakPolarHBondContact O-CB 3.31Å; H374-A397 HydrophobicContact CB-CB 3.92Å; H393-A397 PolarHBondContact O-N 3.41Å; Y394-A397 PolarHBondContact O-N 2.86Å; A397-S401 PolarHBondContact O-N 3.43Å; A397-F404 HydrophobicContact CB-CD1 4.38Å; A397-A407 HydrophobicContact CB-CB 4.25Å
398	I	97.2	Very high	96.9	Very high	22 Å²	22	53.8 Å²	53.8	11%	0.113	26%	0.264	C	S	.	.	H	α-helix	trans	-72.7	-36.3	177.6	-68.8	164.3	0	0	0	111.9	Y394 R395 E396 I400 S401 P402 A407 Y408 M411	Y394-I398 WeakPolarHBondContact O-CD1 3.27Å; Y394-I398 VanDerWaalsContact O-CG1 3.3Å; Y394-I398 WeakPolarHBondContact O-CG1 3.37Å; Y394-I398 PolarHBondContact O-N 2.84Å; R395-I398 PolarHBondContact O-N 3.47Å; E396-I398 VanDerWaalsContact C-N 3.26Å; E396-I398 PolarHBondContact O-N 2.7Å; I398-I400 VanDerWaalsContact C-N 3.33Å; I398-S401 CarbonylContact O-C 3.56Å; I398-S401 PolarHBondContact O-N 3.4Å; I398-P402 VanDerWaalsContact O-CA 3.24Å; I398-P402 WeakPolarHBondContact O-CA 3.27Å; I398-P402 VanDerWaalsContact O-N 3.09Å; I398-A407 HydrophobicContact CD1-CB 4.48Å; I398-A407 HydrophobicContact CG1-CB 3.94Å; I398-Y408 HydrophobicContact CD1-CD1 3.79Å; I398-Y408 HydrophobicContact CD1-CD2 4.34Å; I398-Y408 HydrophobicContact CD1-CE1 3.9Å; I398-Y408 HydrophobicContact CD1-CE2 4.41Å; I398-Y408 HydrophobicContact CD1-CG 4.04Å; I398-Y408 HydrophobicContact CG1-CD1 4.49Å; I398-Y408 HydrophobicContact CG1-CD2 4.26Å; I398-Y408 HydrophobicContact CG1-CE1 4.36Å; I398-Y408 HydrophobicContact CG1-CE2 4.1Å; I398-Y408 HydrophobicContact CG1-CG 4.46Å; I398-Y408 HydrophobicContact CG2-CE1 3.92Å; I398-Y408 HydrophobicContact CG2-CE2 4.01Å; I398-Y408 VanDerWaalsContact CG2-CZ 3.46Å; I398-Y408 VanDerWaalsContact CG2-OH 3.27Å; I398-Y408 WeakPolarHBondContact CG2-OH 3.37Å; I398-M411 HydrophobicContact CD1-CE 3.72Å; I398-M411 HydrophobicContact CD1-SD 3.83Å
399	R	98	Very high	97.1	Very high	126 Å²	126	48.1 Å²	48.1	48%	0.475	24%	0.238	S	C	.	.	H	α-helix	trans	-61	-45.2	174.9	-177	-168.8	62.6	73.1	-3.8	110.6	E369 R395 E396	E369-R399 IonicContact OE1-CZ 3.61Å; E369-R399 IonicContact OE1-NH1 3.08Å; E369-R399 IonicContact OE1-NH2 2.69Å; E369-R399 PolarHBondContact OE1-NH2 3.37Å; E369-R399 IonicContact OE2-CZ 3.18Å; E369-R399 IonicContact OE2-NH1 2.82Å; E369-R399 PolarHBondContact OE2-NH1 2.87Å; E369-R399 VanDerWaalsContact OE2-NH1 3.12Å; E369-R399 IonicContact OE2-NH2 2.72Å; R395-R399 WeakPolarHBondContact O-CB 3.27Å; R395-R399 PolarHBondContact O-N 3.23Å; E396-R399 WeakPolarHBondContact O-CB 3.02Å; E396-R399 PolarHBondContact O-N 3.4Å; E396-R399 VanDerWaalsContact O-N 3.12Å; E396-R399 IonicContact OE1-NE 3.58Å; E396-R399 IonicContact OE2-CZ 3.45Å; E396-R399 VanDerWaalsContact OE2-CZ 3.28Å; E396-R399 IonicContact OE2-NE 3.93Å; E396-R399 PolarHBondContact OE2-NE 3.35Å; E396-R399 IonicContact OE2-NH2 3.52Å; E396-R399 PolarHBondContact OE2-NH2 3.07Å
400	I	97.8	Very high	97.3	Very high	42 Å²	42	46.2 Å²	46.2	22%	0.215	23%	0.23	C	C	.	.	H	α-helix	trans	-69.6	-44.9	179.5	-62.1	158.9	0	0	0	110.4	E369 A371 E396 I398	E369-I400 HydrophobicContact CB-CG2 4.43Å; E369-I400 WeakPolarHBondContact O-CG2 3.21Å; A371-I400 HydrophobicContact CB-CB 4.01Å; A371-I400 HydrophobicContact CB-CG2 3.83Å; E396-I400 WeakPolarHBondContact O-CD1 3.44Å; E396-I400 VanDerWaalsContact O-CG1 3.23Å; E396-I400 WeakPolarHBondContact O-CG1 3.32Å; E396-I400 PolarHBondContact O-N 3.45Å; I398-I400 VanDerWaalsContact C-N 3.33Å
401	S	96.6	Very high	97.4	Very high	37 Å²	37	47.2 Å²	47.2	26%	0.259	24%	0.235	S	C	.	.			trans	-129.8	89.5	-179.2	-170.8	0	0	0	0	111.5	A397 I398 T403 F404	A397-S401 PolarHBondContact O-N 3.43Å; I398-S401 CarbonylContact O-C 3.56Å; I398-S401 PolarHBondContact O-N 3.4Å; S401-T403 PolarHBondContact O-N 2.84Å; S401-F404 VanDerWaalsContact O-CB 3.26Å; S401-F404 WeakPolarHBondContact O-CB 3.33Å; S401-F404 PolarHBondContact O-N 3.5Å
402	P	97.1	Very high	97.4	Very high	70 Å²	70	47 Å²	47	46%	0.455	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-12.8	-177.2	-26.2	35.9	0	0	0	115.3	I398 Y408	I398-P402 VanDerWaalsContact O-CA 3.24Å; I398-P402 WeakPolarHBondContact O-CA 3.27Å; I398-P402 VanDerWaalsContact O-N 3.09Å; P402-Y408 WeakPolarHBondContact O-CE2 3.28Å; P402-Y408 PolarHBondContact O-OH 3.17Å
403	T	96	Very high	97.3	Very high	104 Å²	104	44.2 Å²	44.2	64%	0.638	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.4	10.4	177.4	53	0	0	0	0	112.8	S401 A405 I434	S401-T403 PolarHBondContact O-N 2.84Å; T403-A405 PolarHBondContact O-N 3.22Å; T403-I434 VanDerWaalsContact O-CG2 3.28Å; T403-I434 WeakPolarHBondContact O-CG2 3.38Å
404	F	96.6	Very high	97.2	Very high	40 Å²	40	41.9 Å²	41.9	18%	0.175	21%	0.209	C	C	.	.			trans	-79.2	83.7	-179.2	-164.6	-177.3	0	0	0	112.1	A371 V372 A397 S401 D406 A407 Y408	A371-F404 HydrophobicContact CB-CD1 4.28Å; A371-F404 HydrophobicContact CB-CE1 4.46Å; V372-F404 HydrophobicContact CG2-CE1 4.3Å; V372-F404 HydrophobicContact CG2-CZ 4.17Å; A397-F404 HydrophobicContact CB-CD1 4.38Å; S401-F404 VanDerWaalsContact O-CB 3.26Å; S401-F404 WeakPolarHBondContact O-CB 3.33Å; S401-F404 PolarHBondContact O-N 3.5Å; F404-D406 VanDerWaalsContact C-N 3.34Å; F404-D406 HydrophobicContact CD2-CB 4.2Å; F404-D406 HydrophobicContact CE2-CB 3.84Å; F404-D406 PolarHBondContact O-N 3.2Å; F404-A407 HydrophobicContact CB-CB 4.19Å; F404-A407 HydrophobicContact CD1-CB 3.74Å; F404-A407 HydrophobicContact CE1-CB 4.26Å; F404-A407 HydrophobicContact CG-CB 3.87Å; F404-A407 WeakPolarHBondContact O-CB 3.13Å; F404-A407 PolarHBondContact O-N 3.15Å; F404-A407 VanDerWaalsContact O-N 3.14Å; F404-Y408 WeakPolarHBondContact O-CD2 3.16Å; F404-Y408 PolarHBondContact O-N 2.8Å
405	A	96.5	Very high	97.1	Very high	8 Å²	8	42.6 Å²	42.6	7%	0.066	21%	0.213	C	C	.	.	H	α-helix	trans	-55.2	-42	-174	0	0	0	0	0	114	T403 A407 Y408 S409 I434 N435 F438	T403-A405 PolarHBondContact O-N 3.22Å; A405-A407 VanDerWaalsContact C-N 3.32Å; A405-A407 PolarHBondContact O-N 2.94Å; A405-Y408 PolarHBondContact O-N 3.46Å; A405-S409 PolarHBondContact O-N 3.4Å; A405-I434 HydrophobicContact CB-CB 4.28Å; A405-I434 HydrophobicContact CB-CG2 3.96Å; A405-N435 HydrophobicContact CB-CB 4.13Å; A405-F438 HydrophobicContact CB-CD1 4.05Å; A405-F438 HydrophobicContact CB-CE1 4.11Å
406	D	95.4	Very high	96.8	Very high	79 Å²	79	39.7 Å²	39.7	42%	0.422	20%	0.204	S	C	.	.	H	α-helix	trans	-60.3	-39.6	178.8	-63.3	-87.4	0	0	0	112.6	F404 Y408 S409 N410 F438	F404-D406 VanDerWaalsContact C-N 3.34Å; F404-D406 HydrophobicContact CD2-CB 4.2Å; F404-D406 HydrophobicContact CE2-CB 3.84Å; F404-D406 PolarHBondContact O-N 3.2Å; D406-Y408 VanDerWaalsContact C-N 3.35Å; D406-Y408 PolarHBondContact O-N 3.43Å; D406-S409 PolarHBondContact O-N 2.98Å; D406-N410 WeakPolarHBondContact O-CB 3.37Å; D406-N410 VanDerWaalsContact O-CG 3.3Å; D406-N410 PolarHBondContact O-N 2.57Å; D406-N410 PolarHBondContact O-ND2 3.23Å; D406-F438 WeakPolarHBondContact OD1-CZ 3.44Å
407	A	97.2	Very high	96.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.2	-41	177.4	0	0	0	0	0	111.4	Y394 A397 I398 F404 A405 M411	Y394-A407 HydrophobicContact CD1-CB 4.38Å; A397-A407 HydrophobicContact CB-CB 4.25Å; I398-A407 HydrophobicContact CD1-CB 4.48Å; I398-A407 HydrophobicContact CG1-CB 3.94Å; F404-A407 HydrophobicContact CB-CB 4.19Å; F404-A407 HydrophobicContact CD1-CB 3.74Å; F404-A407 HydrophobicContact CE1-CB 4.26Å; F404-A407 HydrophobicContact CG-CB 3.87Å; F404-A407 WeakPolarHBondContact O-CB 3.13Å; F404-A407 PolarHBondContact O-N 3.15Å; F404-A407 VanDerWaalsContact O-N 3.14Å; A405-A407 VanDerWaalsContact C-N 3.32Å; A405-A407 PolarHBondContact O-N 2.94Å; A407-M411 WeakPolarHBondContact O-CB 3.33Å; A407-M411 PolarHBondContact O-N 3.43Å
408	Y	98.3	Very high	95.9	Very high	30 Å²	30	43.3 Å²	43.3	12%	0.118	22%	0.222	C	C	.	.	H	α-helix	trans	-62.6	-48.2	173.1	-74.3	-82.9	0	0	0	111.8	I398 P402 F404 A405 D406 N410 M411 G412 C427 R430 I434	I398-Y408 HydrophobicContact CD1-CD1 3.79Å; I398-Y408 HydrophobicContact CD1-CD2 4.34Å; I398-Y408 HydrophobicContact CD1-CE1 3.9Å; I398-Y408 HydrophobicContact CD1-CE2 4.41Å; I398-Y408 HydrophobicContact CD1-CG 4.04Å; I398-Y408 HydrophobicContact CG1-CD1 4.49Å; I398-Y408 HydrophobicContact CG1-CD2 4.26Å; I398-Y408 HydrophobicContact CG1-CE1 4.36Å; I398-Y408 HydrophobicContact CG1-CE2 4.1Å; I398-Y408 HydrophobicContact CG1-CG 4.46Å; I398-Y408 HydrophobicContact CG2-CE1 3.92Å; I398-Y408 HydrophobicContact CG2-CE2 4.01Å; I398-Y408 VanDerWaalsContact CG2-CZ 3.46Å; I398-Y408 VanDerWaalsContact CG2-OH 3.27Å; I398-Y408 WeakPolarHBondContact CG2-OH 3.37Å; P402-Y408 WeakPolarHBondContact O-CE2 3.28Å; P402-Y408 PolarHBondContact O-OH 3.17Å; F404-Y408 WeakPolarHBondContact O-CD2 3.16Å; F404-Y408 PolarHBondContact O-N 2.8Å; A405-Y408 PolarHBondContact O-N 3.46Å; D406-Y408 VanDerWaalsContact C-N 3.35Å; D406-Y408 PolarHBondContact O-N 3.43Å; Y408-N410 VanDerWaalsContact C-N 3.35Å; Y408-N410 PolarHBondContact O-N 2.81Å; Y408-M411 HydrophobicContact CD1-CE 4.49Å; Y408-M411 PolarHBondContact O-N 3.3Å; Y408-G412 PolarHBondContact O-N 3.42Å; Y408-C427 WeakPolarHBondContact O-CB 3.47Å; Y408-R430 HydrophobicContact CD1-CB 4.03Å; Y408-R430 HydrophobicContact CD1-CG 3.76Å; Y408-R430 HydrophobicContact CD2-CG 4.34Å; Y408-R430 HydrophobicContact CE1-CB 4.25Å; Y408-R430 HydrophobicContact CE1-CG 3.54Å; Y408-R430 HydrophobicContact CE2-CG 4.17Å; Y408-R430 HydrophobicContact CG-CB 4.43Å; Y408-R430 HydrophobicContact CG-CG 4.14Å; Y408-I434 HydrophobicContact CD2-CD1 3.72Å; Y408-I434 HydrophobicContact CE2-CD1 3.5Å
409	S	97.6	Very high	95.4	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.014	26%	0.255	C	S	.	.	H	α-helix	trans	-59.9	-45.8	-179.7	-170.6	0	0	0	0	111.5	A405 D406 G412 N413 Y428	A405-S409 PolarHBondContact O-N 3.4Å; D406-S409 PolarHBondContact O-N 2.98Å; S409-G412 WeakPolarHBondContact O-CA 3.15Å; S409-G412 PolarHBondContact O-N 3.12Å; S409-G412 VanDerWaalsContact O-N 3.17Å; S409-N413 PolarHBondContact O-N 3.36Å; S409-Y428 VanDerWaalsContact O-CE1 3.3Å; S409-Y428 WeakPolarHBondContact O-CE1 3.31Å
410	N	96.9	Very high	95.1	Very high	47 Å²	47	47.8 Å²	47.8	25%	0.251	25%	0.25	S	S	.	.	H	α-helix	trans	-70.6	-35.2	179.8	-66.4	-27.8	0	0	0	113.1	Y394 D406 Y408 G412 N413 T414	Y394-N410 HydrophobicContact CD1-CB 4.46Å; Y394-N410 HydrophobicContact CE1-CB 3.57Å; Y394-N410 HydrophobicContact CE2-CB 4.27Å; Y394-N410 VanDerWaalsContact CZ-CB 3.47Å; Y394-N410 WeakPolarHBondContact OH-CB 3.43Å; D406-N410 WeakPolarHBondContact O-CB 3.37Å; D406-N410 VanDerWaalsContact O-CG 3.3Å; D406-N410 PolarHBondContact O-N 2.57Å; D406-N410 PolarHBondContact O-ND2 3.23Å; Y408-N410 VanDerWaalsContact C-N 3.35Å; Y408-N410 PolarHBondContact O-N 2.81Å; N410-G412 VanDerWaalsContact C-N 3.28Å; N410-G412 PolarHBondContact O-N 3.01Å; N410-N413 WeakPolarHBondContact O-CB 3.5Å; N410-N413 PolarHBondContact O-N 3.14Å; N410-T414 PolarHBondContact O-N 2.9Å; N410-T414 VanDerWaalsContact O-N 3.09Å; N410-T414 PolarHBondContact O-OG1 3.44Å; N410-T414 VanDerWaalsContact O-OG1 3.13Å
411	M	98.1	Very high	94.9	Very high	22 Å²	22	48.5 Å²	48.5	11%	0.108	26%	0.256	C	S	.	.	H	α-helix	trans	-60.6	-41.1	169.5	-170.1	172	74.2	0	0	111	L391 Y394 R395 I398 A407 Y408 N413 T414 L415 C427	L391-M411 HydrophobicContact CD2-CG 3.75Å; Y394-M411 HydrophobicContact CD2-CB 4.06Å; Y394-M411 HydrophobicContact CD2-CG 4.4Å; Y394-M411 HydrophobicContact CG-CB 3.91Å; Y394-M411 HydrophobicContact CG-CG 4.37Å; R395-M411 HydrophobicContact CG-SD 4.19Å; I398-M411 HydrophobicContact CD1-CE 3.72Å; I398-M411 HydrophobicContact CD1-SD 3.83Å; A407-M411 WeakPolarHBondContact O-CB 3.33Å; A407-M411 PolarHBondContact O-N 3.43Å; Y408-M411 HydrophobicContact CD1-CE 4.49Å; Y408-M411 PolarHBondContact O-N 3.3Å; M411-N413 VanDerWaalsContact C-N 3.33Å; M411-N413 PolarHBondContact O-N 2.91Å; M411-T414 WeakPolarHBondContact O-CB 3.36Å; M411-T414 PolarHBondContact O-N 3.48Å; M411-T414 VanDerWaalsContact O-N 3.17Å; M411-L415 HydrophobicContact CG-CD1 4.28Å; M411-L415 WeakPolarHBondContact O-CG 3.31Å; M411-L415 PolarHBondContact O-N 3.03Å; M411-C427 WeakPolarHBondContact CE-SG 3.33Å
412	G	97.7	Very high	94.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.6	-41.1	174.5	0	0	0	0	0	112.8	Y408 S409 N410 T414 L415 K416 A424 Y428	Y408-G412 PolarHBondContact O-N 3.42Å; S409-G412 WeakPolarHBondContact O-CA 3.15Å; S409-G412 PolarHBondContact O-N 3.12Å; S409-G412 VanDerWaalsContact O-N 3.17Å; N410-G412 VanDerWaalsContact C-N 3.28Å; N410-G412 PolarHBondContact O-N 3.01Å; G412-T414 VanDerWaalsContact C-N 3.32Å; G412-T414 PolarHBondContact O-N 2.65Å; G412-L415 PolarHBondContact O-N 3.17Å; G412-K416 WeakPolarHBondContact O-CB 3.33Å; G412-K416 PolarHBondContact O-N 2.83Å; G412-A424 WeakPolarHBondContact O-CB 3.14Å; G412-Y428 PolarHBondContact O-OH 3.26Å
413	N	95.5	Very high	94.8	Very high	43 Å²	43	49.5 Å²	49.5	23%	0.23	25%	0.254	C	S	.	.	H	α-helix	trans	-61.2	-42.8	174.9	-66.9	-30.9	0	0	0	111.4	S409 N410 M411 K416 E417 Y428 N444	S409-N413 PolarHBondContact O-N 3.36Å; N410-N413 WeakPolarHBondContact O-CB 3.5Å; N410-N413 PolarHBondContact O-N 3.14Å; M411-N413 VanDerWaalsContact C-N 3.33Å; M411-N413 PolarHBondContact O-N 2.91Å; N413-K416 PolarHBondContact O-N 3.29Å; N413-E417 PolarHBondContact O-N 3.09Å; N413-E417 VanDerWaalsContact O-N 3.11Å; N413-Y428 VanDerWaalsContact CA-OH 3.31Å; N413-Y428 WeakPolarHBondContact CA-OH 3.34Å; N413-Y428 PolarHBondContact N-OH 3.02Å; N413-Y428 VanDerWaalsContact N-OH 3.13Å; N413-Y428 PolarHBondContact OD1-OH 3.29Å; N413-N444 PolarHBondContact OD1-ND2 3.13Å; N413-N444 VanDerWaalsContact OD1-ND2 3.16Å
414	T	95.7	Very high	94.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.6	-42.6	178.2	-54.7	0	0	0	0	111.6	L387 A390 L391 Y394 N410 M411 G412 K416 E417 L418	L387-T414 HydrophobicContact CB-CG2 4.11Å; L387-T414 HydrophobicContact CD2-CG2 4.28Å; A390-T414 HydrophobicContact CB-CG2 4.19Å; L391-T414 HydrophobicContact CD2-CG2 3.73Å; L391-T414 HydrophobicContact CG-CG2 3.91Å; Y394-T414 WeakPolarHBondContact CE2-OG1 3.37Å; N410-T414 PolarHBondContact O-N 2.9Å; N410-T414 VanDerWaalsContact O-N 3.09Å; N410-T414 PolarHBondContact O-OG1 3.44Å; N410-T414 VanDerWaalsContact O-OG1 3.13Å; M411-T414 WeakPolarHBondContact O-CB 3.36Å; M411-T414 PolarHBondContact O-N 3.48Å; M411-T414 VanDerWaalsContact O-N 3.17Å; G412-T414 VanDerWaalsContact C-N 3.32Å; G412-T414 PolarHBondContact O-N 2.65Å; T414-K416 VanDerWaalsContact C-N 3.34Å; T414-K416 PolarHBondContact O-N 3.39Å; T414-E417 WeakPolarHBondContact O-CB 3.35Å; T414-E417 PolarHBondContact O-N 2.83Å; T414-L418 HydrophobicContact CG2-CD1 4.49Å; T414-L418 PolarHBondContact O-N 2.8Å
415	L	96.5	Very high	94.9	Very high	14 Å²	14	44.6 Å²	44.6	7%	0.073	23%	0.225	C	C	.	.	H	α-helix	trans	-63.7	-39.7	176	-71.2	170.5	0	0	0	111.9	L391 M411 G412 E417 L418 Q419 D420 A424 C427	L391-L415 HydrophobicContact CD1-CD2 3.78Å; L391-L415 HydrophobicContact CD2-CD2 3.79Å; L391-L415 HydrophobicContact CD2-CG 3.86Å; L391-L415 HydrophobicContact CG-CD2 4.46Å; M411-L415 HydrophobicContact CG-CD1 4.28Å; M411-L415 WeakPolarHBondContact O-CG 3.31Å; M411-L415 PolarHBondContact O-N 3.03Å; G412-L415 PolarHBondContact O-N 3.17Å; L415-E417 VanDerWaalsContact C-N 3.3Å; L415-E417 PolarHBondContact O-N 3.4Å; L415-L418 CarbonylContact O-C 3.56Å; L415-L418 WeakPolarHBondContact O-CA 3.28Å; L415-L418 WeakPolarHBondContact O-CB 3.29Å; L415-L418 PolarHBondContact O-N 3.43Å; L415-L418 VanDerWaalsContact O-N 3.17Å; L415-Q419 PolarHBondContact O-N 2.61Å; L415-Q419 VanDerWaalsContact O-N 3.14Å; L415-D420 HydrophobicContact CB-CB 4.28Å; L415-D420 HydrophobicContact CD2-CB 4.2Å; L415-D420 PolarHBondContact O-N 3.46Å; L415-A424 HydrophobicContact CB-CB 3.97Å; L415-C427 VanDerWaalsContact CD1-SG 3.59Å
416	K	92.1	Very high	94.9	Very high	75 Å²	75	50.2 Å²	50.2	33%	0.326	25%	0.25	S	C	.	.	H	α-helix	trans	-61	-40.4	175	-173	-173.5	174.9	-167.1	0	111.5	G412 N413 T414 L418 Q419 A424 S447	G412-K416 WeakPolarHBondContact O-CB 3.33Å; G412-K416 PolarHBondContact O-N 2.83Å; N413-K416 PolarHBondContact O-N 3.29Å; T414-K416 VanDerWaalsContact C-N 3.34Å; T414-K416 PolarHBondContact O-N 3.39Å; K416-L418 VanDerWaalsContact C-N 3.33Å; K416-Q419 WeakPolarHBondContact O-CA 3.48Å; K416-Q419 PolarHBondContact O-N 3.42Å; K416-A424 HydrophobicContact CB-CB 4.03Å; K416-S447 PolarHBondContact NZ-OG 3.23Å
417	E	88	Confident	95	Very high	88 Å²	88	46.9 Å²	46.9	41%	0.411	23%	0.232	S	C	.	.	H	α-helix	trans	-66.3	-35.3	176	-166.4	172.2	178.9	0	0	112.3	Q382 L387 N413 T414 L415 Q419	Q382-E417 PolarHBondContact NE2-OE2 3.1Å; L387-E417 HydrophobicContact CD1-CB 4.13Å; L387-E417 HydrophobicContact CD1-CG 3.75Å; L387-E417 HydrophobicContact CD2-CG 4.31Å; N413-E417 PolarHBondContact O-N 3.09Å; N413-E417 VanDerWaalsContact O-N 3.11Å; T414-E417 WeakPolarHBondContact O-CB 3.35Å; T414-E417 PolarHBondContact O-N 2.83Å; L415-E417 VanDerWaalsContact C-N 3.3Å; L415-E417 PolarHBondContact O-N 3.4Å; E417-Q419 PolarHBondContact O-N 3.31Å
418	L	89.1	Confident	95.1	Very high	60 Å²	60	47 Å²	47	31%	0.314	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	2.7	169.4	-75.1	167.1	0	0	0	114.2	L387 L391 T414 L415 K416 D420	L387-L418 HydrophobicContact CB-CD1 3.97Å; L387-L418 HydrophobicContact CB-CD2 3.85Å; L387-L418 HydrophobicContact CB-CG 3.83Å; L387-L418 HydrophobicContact CD1-CD2 3.78Å; L387-L418 HydrophobicContact CD1-CG 3.8Å; L387-L418 HydrophobicContact CG-CD2 4.46Å; L387-L418 HydrophobicContact CG-CG 4.46Å; L391-L418 HydrophobicContact CD1-CD1 3.43Å; L391-L418 VanDerWaalsContact CD1-CD1 3.43Å; L391-L418 HydrophobicContact CG-CD1 4.12Å; T414-L418 HydrophobicContact CG2-CD1 4.49Å; T414-L418 PolarHBondContact O-N 2.8Å; L415-L418 CarbonylContact O-C 3.56Å; L415-L418 WeakPolarHBondContact O-CA 3.28Å; L415-L418 WeakPolarHBondContact O-CB 3.29Å; L415-L418 PolarHBondContact O-N 3.43Å; L415-L418 VanDerWaalsContact O-N 3.17Å; K416-L418 VanDerWaalsContact C-N 3.33Å; L418-D420 PolarHBondContact O-N 3.02Å
419	Q	86.3	Confident	95.1	Very high	170 Å²	170	50 Å²	50	79%	0.794	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.8	13.6	-175.6	-51.2	-177.1	-3.2	0	0	114.9	L415 K416 E417 V421	L415-Q419 PolarHBondContact O-N 2.61Å; L415-Q419 VanDerWaalsContact O-N 3.14Å; K416-Q419 WeakPolarHBondContact O-CA 3.48Å; K416-Q419 PolarHBondContact O-N 3.42Å; E417-Q419 PolarHBondContact O-N 3.31Å; Q419-V421 VanDerWaalsContact C-N 3.29Å; Q419-V421 PolarHBondContact O-N 3.18Å
420	D	92.9	Very high	95.1	Very high	72 Å²	72	54.5 Å²	54.5	39%	0.385	26%	0.264	S	S	.	.			trans	-81.5	77.2	168.6	-177.1	6.4	0	0	0	110.2	L415 L418 Q422 G423 A424	L415-D420 HydrophobicContact CB-CB 4.28Å; L415-D420 HydrophobicContact CD2-CB 4.2Å; L415-D420 PolarHBondContact O-N 3.46Å; L418-D420 PolarHBondContact O-N 3.02Å; D420-Q422 VanDerWaalsContact C-N 3.31Å; D420-Q422 PolarHBondContact O-N 3.15Å; D420-G423 PolarHBondContact OD1-N 3.31Å; D420-A424 WeakPolarHBondContact O-CB 3.41Å; D420-A424 PolarHBondContact O-N 3.19Å
421	V	93.5	Very high	95.2	Very high	57 Å²	57	52.2 Å²	52.2	35%	0.345	25%	0.253	S	S	.	.	H	α-helix	trans	-64.5	-36.7	-177.2	-179.9	0	0	0	0	111.7	Q419 A424 M425 I448	Q419-V421 VanDerWaalsContact C-N 3.29Å; Q419-V421 PolarHBondContact O-N 3.18Å; V421-A424 PolarHBondContact O-N 3.18Å; V421-M425 WeakPolarHBondContact O-CB 3.49Å; V421-M425 PolarHBondContact O-N 3.16Å; V421-I448 HydrophobicContact CG1-CD1 4.27Å; V421-I448 HydrophobicContact CG1-CG1 4.41Å; V421-I448 HydrophobicContact CG1-CG2 3.64Å
422	Q	95.2	Very high	95.2	Very high	119 Å²	119	52.5 Å²	52.5	56%	0.556	25%	0.254	S	S	*	.	H	α-helix	trans	-70.5	-46.2	-178.8	-67.5	-60.3	-38.5	0	0	111	D420 A424 M425 Q426	D420-Q422 VanDerWaalsContact C-N 3.31Å; D420-Q422 PolarHBondContact O-N 3.15Å; Q422-A424 VanDerWaalsContact C-N 3.32Å; Q422-A424 PolarHBondContact O-N 2.91Å; Q422-M425 PolarHBondContact O-N 3.32Å; Q422-M425 VanDerWaalsContact OE1-CE 3.29Å; Q422-Q426 WeakPolarHBondContact O-CG 3.14Å; Q422-Q426 PolarHBondContact O-N 3.17Å; Q422-Q426 VanDerWaalsContact O-N 3.12Å
423	G	95.9	Very high	95.2	Very high	10 Å²	10	58.9 Å²	58.9	10%	0.103	28%	0.284	C	S	.	.	H	α-helix	trans	-59.6	-43.7	173.6	0	0	0	0	0	111.8	D420 M425 Q426 C427	D420-G423 PolarHBondContact OD1-N 3.31Å; G423-M425 PolarHBondContact O-N 2.94Å; G423-Q426 PolarHBondContact O-N 3.23Å; G423-C427 PolarHBondContact O-N 3.16Å; G423-C427 VanDerWaalsContact O-N 3.1Å; G423-C427 PolarHBondContact O-SG 3.47Å
424	A	97.8	Very high	95.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.7	-44.6	176.7	0	0	0	0	0	112.7	G412 L415 K416 D420 V421 Q422 Q426 C427 Y428 I448	G412-A424 WeakPolarHBondContact O-CB 3.14Å; L415-A424 HydrophobicContact CB-CB 3.97Å; K416-A424 HydrophobicContact CB-CB 4.03Å; D420-A424 WeakPolarHBondContact O-CB 3.41Å; D420-A424 PolarHBondContact O-N 3.19Å; V421-A424 PolarHBondContact O-N 3.18Å; Q422-A424 VanDerWaalsContact C-N 3.32Å; Q422-A424 PolarHBondContact O-N 2.91Å; A424-Q426 PolarHBondContact O-N 3.45Å; A424-C427 WeakPolarHBondContact O-CB 3.2Å; A424-C427 PolarHBondContact O-N 2.96Å; A424-Y428 HydrophobicContact CB-CE2 4.15Å; A424-Y428 WeakPolarHBondContact O-CD2 3.3Å; A424-Y428 PolarHBondContact O-N 2.91Å; A424-Y428 VanDerWaalsContact O-N 3.07Å; A424-I448 HydrophobicContact CB-CD1 3.67Å
425	M	96.4	Very high	95.4	Very high	40 Å²	40	62.3 Å²	62.3	20%	0.197	30%	0.302	C	S	.	.	H	α-helix	trans	-60.8	-45	178.5	-174.7	173.9	64.1	0	0	112.3	V421 Q422 G423 C427 Y428 Q429 L445 I448	V421-M425 WeakPolarHBondContact O-CB 3.49Å; V421-M425 PolarHBondContact O-N 3.16Å; Q422-M425 PolarHBondContact O-N 3.32Å; Q422-M425 VanDerWaalsContact OE1-CE 3.29Å; G423-M425 PolarHBondContact O-N 2.94Å; M425-C427 VanDerWaalsContact C-N 3.29Å; M425-C427 PolarHBondContact O-N 3.37Å; M425-Y428 PolarHBondContact O-N 2.97Å; M425-Q429 VanDerWaalsContact O-CG 3.32Å; M425-Q429 WeakPolarHBondContact O-CG 3.38Å; M425-Q429 PolarHBondContact O-N 3.29Å; M425-L445 HydrophobicContact CG-CD1 3.72Å; M425-I448 HydrophobicContact CB-CD1 4.22Å; M425-I448 HydrophobicContact CB-CG2 4.49Å
426	Q	97.2	Very high	95.4	Very high	127 Å²	127	65.9 Å²	65.9	59%	0.593	33%	0.326	S	S	*	.	H	α-helix	trans	-61.2	-39.8	176.9	-69.2	176	10	0	0	111.7	Q422 G423 A424 Q429 R430	Q422-Q426 WeakPolarHBondContact O-CG 3.14Å; Q422-Q426 PolarHBondContact O-N 3.17Å; Q422-Q426 VanDerWaalsContact O-N 3.12Å; G423-Q426 PolarHBondContact O-N 3.23Å; A424-Q426 PolarHBondContact O-N 3.45Å; Q426-Q429 PolarHBondContact O-N 3.33Å; Q426-R430 WeakPolarHBondContact O-CB 3.38Å; Q426-R430 PolarHBondContact O-N 3.09Å
427	C	98	Very high	95.6	Very high	9 Å²	9	65.2 Å²	65.2	6%	0.061	33%	0.334	C	S	.	.	H	α-helix	trans	-63	-46.7	177.5	-66.5	0	0	0	0	112.2	Y408 M411 L415 G423 A424 M425 R430 A431	Y408-C427 WeakPolarHBondContact O-CB 3.47Å; M411-C427 WeakPolarHBondContact CE-SG 3.33Å; L415-C427 VanDerWaalsContact CD1-SG 3.59Å; G423-C427 PolarHBondContact O-N 3.16Å; G423-C427 VanDerWaalsContact O-N 3.1Å; G423-C427 PolarHBondContact O-SG 3.47Å; A424-C427 WeakPolarHBondContact O-CB 3.2Å; A424-C427 PolarHBondContact O-N 2.96Å; M425-C427 VanDerWaalsContact C-N 3.29Å; M425-C427 PolarHBondContact O-N 3.37Å; C427-R430 PolarHBondContact O-N 2.93Å; C427-A431 WeakPolarHBondContact O-CB 3.27Å; C427-A431 PolarHBondContact O-N 3.19Å
428	Y	98.2	Very high	96.1	Very high	1 Å²	1	62 Å²	62	0%	0.004	32%	0.319	C	S	.	.	H	α-helix	trans	-64.8	-41.9	177.3	-57.4	-44.2	0	0	0	112.2	S409 G412 N413 A424 M425 R430 A431 I432 N444 L445 I448	S409-Y428 VanDerWaalsContact O-CE1 3.3Å; S409-Y428 WeakPolarHBondContact O-CE1 3.31Å; G412-Y428 PolarHBondContact O-OH 3.26Å; N413-Y428 VanDerWaalsContact CA-OH 3.31Å; N413-Y428 WeakPolarHBondContact CA-OH 3.34Å; N413-Y428 PolarHBondContact N-OH 3.02Å; N413-Y428 VanDerWaalsContact N-OH 3.13Å; N413-Y428 PolarHBondContact OD1-OH 3.29Å; A424-Y428 HydrophobicContact CB-CE2 4.15Å; A424-Y428 WeakPolarHBondContact O-CD2 3.3Å; A424-Y428 PolarHBondContact O-N 2.91Å; A424-Y428 VanDerWaalsContact O-N 3.07Å; M425-Y428 PolarHBondContact O-N 2.97Å; Y428-R430 VanDerWaalsContact C-N 3.31Å; Y428-R430 PolarHBondContact O-N 3Å; Y428-A431 PolarHBondContact O-N 3.44Å; Y428-I432 VanDerWaalsContact O-CG1 3.3Å; Y428-I432 WeakPolarHBondContact O-CG1 3.4Å; Y428-I432 PolarHBondContact O-N 3.4Å; Y428-N444 HydrophobicContact CD1-CB 3.8Å; Y428-N444 HydrophobicContact CD2-CB 4.12Å; Y428-N444 HydrophobicContact CE1-CB 3.5Å; Y428-N444 VanDerWaalsContact CE1-CB 3.5Å; Y428-N444 HydrophobicContact CE2-CB 3.84Å; Y428-N444 HydrophobicContact CG-CB 4.13Å; Y428-L445 HydrophobicContact CD2-CB 4.46Å; Y428-I448 HydrophobicContact CD2-CD1 3.91Å; Y428-I448 HydrophobicContact CE2-CD1 3.52Å; Y428-I448 HydrophobicContact CE2-CG1 4.22Å
429	Q	98.1	Very high	96.5	Very high	93 Å²	93	59.5 Å²	59.5	44%	0.435	31%	0.306	S	S	.	.	H	α-helix	trans	-60.2	-42.3	175.9	-74	173.7	-16.7	0	0	111.5	M425 Q426 I432 Q433 L445	M425-Q429 VanDerWaalsContact O-CG 3.32Å; M425-Q429 WeakPolarHBondContact O-CG 3.38Å; M425-Q429 PolarHBondContact O-N 3.29Å; Q426-Q429 PolarHBondContact O-N 3.33Å; Q429-I432 PolarHBondContact O-N 3.29Å; Q429-Q433 WeakPolarHBondContact O-CB 3.42Å; Q429-Q433 PolarHBondContact O-N 3.31Å; Q429-L445 HydrophobicContact CG-CD1 4.41Å; Q429-L445 HydrophobicContact CG-CD2 4.28Å
430	R	98	Very high	96.9	Very high	97 Å²	97	54 Å²	54	37%	0.366	28%	0.283	S	S	.	.	H	α-helix	trans	-65.7	-41.8	176.4	-173.9	56.5	175.4	179.4	1.3	112.1	Y408 Q426 C427 Y428 I432 Q433 I434	Y408-R430 HydrophobicContact CD1-CB 4.03Å; Y408-R430 HydrophobicContact CD1-CG 3.76Å; Y408-R430 HydrophobicContact CD2-CG 4.34Å; Y408-R430 HydrophobicContact CE1-CB 4.25Å; Y408-R430 HydrophobicContact CE1-CG 3.54Å; Y408-R430 HydrophobicContact CE2-CG 4.17Å; Y408-R430 HydrophobicContact CG-CB 4.43Å; Y408-R430 HydrophobicContact CG-CG 4.14Å; Q426-R430 WeakPolarHBondContact O-CB 3.38Å; Q426-R430 PolarHBondContact O-N 3.09Å; C427-R430 PolarHBondContact O-N 2.93Å; Y428-R430 VanDerWaalsContact C-N 3.31Å; Y428-R430 PolarHBondContact O-N 3Å; R430-I432 VanDerWaalsContact C-N 3.32Å; R430-I432 PolarHBondContact O-N 2.95Å; R430-Q433 PolarHBondContact O-N 3.06Å; R430-I434 HydrophobicContact CG-CD1 4.03Å; R430-I434 VanDerWaalsContact O-CG1 3.31Å; R430-I434 WeakPolarHBondContact O-CG1 3.36Å; R430-I434 PolarHBondContact O-N 2.94Å
431	A	98.4	Very high	97.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.9	-42.8	174.6	0	0	0	0	0	111.8	C427 Y428 I434 N435 F438 A441	C427-A431 WeakPolarHBondContact O-CB 3.27Å; C427-A431 PolarHBondContact O-N 3.19Å; Y428-A431 PolarHBondContact O-N 3.44Å; A431-I434 PolarHBondContact O-N 3.41Å; A431-N435 PolarHBondContact O-N 2.91Å; A431-F438 HydrophobicContact CB-CD1 4.02Å; A431-F438 HydrophobicContact CB-CE1 4.23Å; A431-A441 HydrophobicContact CB-CB 4.03Å
432	I	98.1	Very high	97.4	Very high	28 Å²	28	49 Å²	49	14%	0.144	25%	0.253	C	S	.	.	H	α-helix	trans	-67.7	-38.6	176	-66.5	163.1	0	0	0	111.6	Y428 Q429 R430 I434 N435 P436 A441 L445	Y428-I432 VanDerWaalsContact O-CG1 3.3Å; Y428-I432 WeakPolarHBondContact O-CG1 3.4Å; Y428-I432 PolarHBondContact O-N 3.4Å; Q429-I432 PolarHBondContact O-N 3.29Å; R430-I432 VanDerWaalsContact C-N 3.32Å; R430-I432 PolarHBondContact O-N 2.95Å; I432-I434 VanDerWaalsContact C-N 3.31Å; I432-I434 PolarHBondContact O-N 3.45Å; I432-N435 CarbonylContact O-C 3.42Å; I432-N435 PolarHBondContact O-N 2.97Å; I432-P436 WeakPolarHBondContact O-CA 3.21Å; I432-P436 WeakPolarHBondContact O-CD 3.37Å; I432-A441 HydrophobicContact CD1-CB 4.35Å; I432-A441 HydrophobicContact CG1-CB 3.75Å; I432-L445 HydrophobicContact CD1-CB 4.47Å; I432-L445 HydrophobicContact CD1-CD2 3.87Å
433	Q	98.1	Very high	97.5	Very high	134 Å²	134	43.7 Å²	43.7	63%	0.626	23%	0.229	S	C	*	.	H	α-helix	trans	-63	-40.6	177.2	-174	-175.8	16.1	0	0	111.6	Q429 R430	Q429-Q433 WeakPolarHBondContact O-CB 3.42Å; Q429-Q433 PolarHBondContact O-N 3.31Å; R430-Q433 PolarHBondContact O-N 3.06Å
434	I	97.7	Very high	97.6	Very high	50 Å²	50	45 Å²	45	26%	0.256	23%	0.234	S	C	.	.	H	α-helix	trans	-71	-45	177.4	-66.2	164.7	0	0	0	110.4	T403 A405 Y408 R430 A431 I432	T403-I434 VanDerWaalsContact O-CG2 3.28Å; T403-I434 WeakPolarHBondContact O-CG2 3.38Å; A405-I434 HydrophobicContact CB-CB 4.28Å; A405-I434 HydrophobicContact CB-CG2 3.96Å; Y408-I434 HydrophobicContact CD2-CD1 3.72Å; Y408-I434 HydrophobicContact CE2-CD1 3.5Å; R430-I434 HydrophobicContact CG-CD1 4.03Å; R430-I434 VanDerWaalsContact O-CG1 3.31Å; R430-I434 WeakPolarHBondContact O-CG1 3.36Å; R430-I434 PolarHBondContact O-N 2.94Å; A431-I434 PolarHBondContact O-N 3.41Å; I432-I434 VanDerWaalsContact C-N 3.31Å; I432-I434 PolarHBondContact O-N 3.45Å
435	N	97.3	Very high	97.6	Very high	65 Å²	65	46 Å²	46	35%	0.348	24%	0.239	S	C	.	.			trans	-130.3	93.5	178.6	-179.3	4.1	0	0	0	110.9	A405 A431 I432 A437 F438	A405-N435 HydrophobicContact CB-CB 4.13Å; A431-N435 PolarHBondContact O-N 2.91Å; I432-N435 CarbonylContact O-C 3.42Å; I432-N435 PolarHBondContact O-N 2.97Å; N435-A437 PolarHBondContact O-N 3.17Å; N435-A437 VanDerWaalsContact O-N 3.13Å; N435-A437 PolarHBondContact OD1-N 3.47Å; N435-A437 VanDerWaalsContact OD1-N 3.12Å; N435-F438 HydrophobicContact CB-CB 4.08Å; N435-F438 WeakPolarHBondContact O-CB 3.4Å; N435-F438 PolarHBondContact O-N 2.93Å
436	P	97.6	Very high	97.7	Very high	88 Å²	88	44 Å²	44	57%	0.571	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.8	179.7	-27.9	36.5	0	0	0	114.5	I432 F438 H442	I432-P436 WeakPolarHBondContact O-CA 3.21Å; I432-P436 WeakPolarHBondContact O-CD 3.37Å; P436-F438 VanDerWaalsContact C-N 3.28Å; P436-F438 PolarHBondContact O-N 2.87Å; P436-H442 PolarHBondContact O-NE2 2.88Å
437	A	96.1	Very high	97.6	Very high	61 Å²	61	38.9 Å²	38.9	50%	0.504	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	5.4	177.5	0	0	0	0	0	113.4	N435 A439 L468	N435-A437 PolarHBondContact O-N 3.17Å; N435-A437 VanDerWaalsContact O-N 3.13Å; N435-A437 PolarHBondContact OD1-N 3.47Å; N435-A437 VanDerWaalsContact OD1-N 3.12Å; A437-A439 PolarHBondContact O-N 3.28Å; A437-L468 HydrophobicContact CB-CD2 4.29Å
438	F	97.3	Very high	97.4	Very high	22 Å²	22	38.7 Å²	38.7	10%	0.096	21%	0.205	C	C	.	.			trans	-76.1	84.4	-176.6	-162.4	178.5	0	0	0	112.6	A405 D406 A431 N435 P436 D440 A441 H442	A405-F438 HydrophobicContact CB-CD1 4.05Å; A405-F438 HydrophobicContact CB-CE1 4.11Å; D406-F438 WeakPolarHBondContact OD1-CZ 3.44Å; A431-F438 HydrophobicContact CB-CD1 4.02Å; A431-F438 HydrophobicContact CB-CE1 4.23Å; N435-F438 HydrophobicContact CB-CB 4.08Å; N435-F438 WeakPolarHBondContact O-CB 3.4Å; N435-F438 PolarHBondContact O-N 2.93Å; P436-F438 VanDerWaalsContact C-N 3.28Å; P436-F438 PolarHBondContact O-N 2.87Å; F438-D440 VanDerWaalsContact C-N 3.32Å; F438-D440 HydrophobicContact CD2-CB 4.25Å; F438-D440 HydrophobicContact CE2-CB 3.92Å; F438-D440 PolarHBondContact O-N 2.96Å; F438-A441 HydrophobicContact CB-CB 4.18Å; F438-A441 HydrophobicContact CD1-CB 3.75Å; F438-A441 HydrophobicContact CD2-CB 4.47Å; F438-A441 HydrophobicContact CE1-CB 4.3Å; F438-A441 HydrophobicContact CG-CB 3.86Å; F438-A441 PolarHBondContact O-N 2.93Å; F438-H442 PolarHBondContact O-CD2 3.08Å; F438-H442 VanDerWaalsContact O-CD2 3.25Å; F438-H442 PolarHBondContact O-N 2.87Å
439	A	97.6	Very high	97.3	Very high	6 Å²	6	39.9 Å²	39.9	5%	0.05	21%	0.212	C	C	.	.	H	α-helix	trans	-55.1	-41.8	-175	0	0	0	0	0	113.9	A437 A441 H442 S443 L468 K469 F472	A437-A439 PolarHBondContact O-N 3.28Å; A439-A441 PolarHBondContact O-N 3.11Å; A439-H442 PolarHBondContact O-N 3.37Å; A439-S443 PolarHBondContact O-N 2.61Å; A439-L468 HydrophobicContact CB-CB 4.01Å; A439-K469 HydrophobicContact CB-CB 3.67Å; A439-K469 HydrophobicContact CB-CD 4.16Å; A439-F472 HydrophobicContact CB-CD1 4.37Å; A439-F472 HydrophobicContact CB-CE1 4.23Å
440	D	96.4	Very high	97.1	Very high	56 Å²	56	36.8 Å²	36.8	30%	0.299	20%	0.197	S	C	.	.	H	α-helix	trans	-64.1	-38.9	-178.9	-58.2	-86.5	0	0	0	111.7	F438 S443 N444 K469 F472	F438-D440 VanDerWaalsContact C-N 3.32Å; F438-D440 HydrophobicContact CD2-CB 4.25Å; F438-D440 HydrophobicContact CE2-CB 3.92Å; F438-D440 PolarHBondContact O-N 2.96Å; D440-S443 PolarHBondContact O-N 2.87Å; D440-N444 WeakPolarHBondContact O-CB 3.49Å; D440-N444 PolarHBondContact O-N 3.1Å; D440-N444 PolarHBondContact O-ND2 3.32Å; D440-K469 IonicContact OD1-NZ 3.13Å; D440-K469 PolarHBondContact OD1-NZ 3.18Å; D440-K469 IonicContact OD2-NZ 2.69Å; D440-K469 PolarHBondContact OD2-NZ 3.42Å; D440-F472 HydrophobicContact CB-CZ 4.38Å; D440-F472 WeakPolarHBondContact OD1-CZ 3.42Å
441	A	97.6	Very high	96.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.7	-39	175.1	0	0	0	0	0	112.6	A431 I432 F438 A439 N444 L445	A431-A441 HydrophobicContact CB-CB 4.03Å; I432-A441 HydrophobicContact CD1-CB 4.35Å; I432-A441 HydrophobicContact CG1-CB 3.75Å; F438-A441 HydrophobicContact CB-CB 4.18Å; F438-A441 HydrophobicContact CD1-CB 3.75Å; F438-A441 HydrophobicContact CD2-CB 4.47Å; F438-A441 HydrophobicContact CE1-CB 4.3Å; F438-A441 HydrophobicContact CG-CB 3.86Å; F438-A441 PolarHBondContact O-N 2.93Å; A439-A441 PolarHBondContact O-N 3.11Å; A441-N444 PolarHBondContact O-N 2.73Å; A441-L445 WeakPolarHBondContact O-CB 3.44Å; A441-L445 PolarHBondContact O-N 3.34Å
442	H	98.4	Very high	96.4	Very high	24 Å²	24	40.9 Å²	40.9	11%	0.111	23%	0.232	C	C	.	.	H	α-helix	trans	-61.5	-42.9	172.7	-75.5	-78.5	0	0	0	111.9	P436 F438 A439 A446 A465	P436-H442 PolarHBondContact O-NE2 2.88Å; F438-H442 PolarHBondContact O-CD2 3.08Å; F438-H442 VanDerWaalsContact O-CD2 3.25Å; F438-H442 PolarHBondContact O-N 2.87Å; A439-H442 PolarHBondContact O-N 3.37Å; H442-A446 WeakPolarHBondContact O-CB 3.44Å; H442-A446 PolarHBondContact O-N 3.36Å; H442-A465 HydrophobicContact CB-CB 3.97Å
443	S	98.3	Very high	95.9	Very high	6 Å²	6	42.1 Å²	42.1	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-64.8	-43.1	177.3	-177	0	0	0	0	111.9	A439 D440 A446 S447	A439-S443 PolarHBondContact O-N 2.61Å; D440-S443 PolarHBondContact O-N 2.87Å; S443-A446 WeakPolarHBondContact O-CB 3.09Å; S443-A446 PolarHBondContact O-N 2.68Å; S443-S447 PolarHBondContact O-N 3.31Å
444	N	97	Very high	95.7	Very high	39 Å²	39	38.6 Å²	38.6	21%	0.209	24%	0.237	C	C	.	.	H	α-helix	trans	-66.5	-40.2	178.8	-68.2	-18.7	0	0	0	112.1	N413 Y428 D440 A441 S447 I448	N413-N444 PolarHBondContact OD1-ND2 3.13Å; N413-N444 VanDerWaalsContact OD1-ND2 3.16Å; Y428-N444 HydrophobicContact CD1-CB 3.8Å; Y428-N444 HydrophobicContact CD2-CB 4.12Å; Y428-N444 HydrophobicContact CE1-CB 3.5Å; Y428-N444 VanDerWaalsContact CE1-CB 3.5Å; Y428-N444 HydrophobicContact CE2-CB 3.84Å; Y428-N444 HydrophobicContact CG-CB 4.13Å; D440-N444 WeakPolarHBondContact O-CB 3.49Å; D440-N444 PolarHBondContact O-N 3.1Å; D440-N444 PolarHBondContact O-ND2 3.32Å; A441-N444 PolarHBondContact O-N 2.73Å; N444-S447 WeakPolarHBondContact O-CB 3.42Å; N444-S447 PolarHBondContact O-N 3.15Å; N444-I448 PolarHBondContact O-N 3.01Å
445	L	97.5	Very high	95.6	Very high	19 Å²	19	36.9 Å²	36.9	10%	0.099	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-43.7	172.1	-179.2	60.5	0	0	0	111.5	M425 Y428 Q429 I432 A441 S447 I448 L449	M425-L445 HydrophobicContact CG-CD1 3.72Å; Y428-L445 HydrophobicContact CD2-CB 4.46Å; Q429-L445 HydrophobicContact CG-CD1 4.41Å; Q429-L445 HydrophobicContact CG-CD2 4.28Å; I432-L445 HydrophobicContact CD1-CB 4.47Å; I432-L445 HydrophobicContact CD1-CD2 3.87Å; A441-L445 WeakPolarHBondContact O-CB 3.44Å; A441-L445 PolarHBondContact O-N 3.34Å; L445-S447 VanDerWaalsContact C-N 3.25Å; L445-S447 PolarHBondContact O-N 3.49Å; L445-I448 PolarHBondContact O-N 3.42Å; L445-I448 VanDerWaalsContact O-N 3.09Å; L445-L449 HydrophobicContact CG-CD1 4.13Å; L445-L449 WeakPolarHBondContact O-CG 3.33Å; L445-L449 PolarHBondContact O-N 3.22Å
446	A	98.1	Very high	95.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.3	-34.5	176.8	0	0	0	0	0	112.6	H442 S443 L449 K450 A458 Y462	H442-A446 WeakPolarHBondContact O-CB 3.44Å; H442-A446 PolarHBondContact O-N 3.36Å; S443-A446 WeakPolarHBondContact O-CB 3.09Å; S443-A446 PolarHBondContact O-N 2.68Å; A446-L449 PolarHBondContact O-N 2.95Å; A446-K450 WeakPolarHBondContact O-CB 3.49Å; A446-K450 PolarHBondContact O-N 3.39Å; A446-A458 WeakPolarHBondContact O-CB 3.36Å; A446-Y462 HydrophobicContact CB-CD1 3.68Å; A446-Y462 HydrophobicContact CB-CD2 3.67Å; A446-Y462 HydrophobicContact CB-CE1 3.58Å; A446-Y462 HydrophobicContact CB-CE2 3.55Å; A446-Y462 HydrophobicContact CB-CG 3.7Å; A446-Y462 VanDerWaalsContact CB-CZ 3.49Å
447	S	95.6	Very high	95.4	Very high	19 Å²	19	36.5 Å²	36.5	13%	0.133	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-43.9	172.9	178.8	0	0	0	0	111.9	K416 S443 N444 L445 K450 D451 Y462	K416-S447 PolarHBondContact NZ-OG 3.23Å; S443-S447 PolarHBondContact O-N 3.31Å; N444-S447 WeakPolarHBondContact O-CB 3.42Å; N444-S447 PolarHBondContact O-N 3.15Å; L445-S447 VanDerWaalsContact C-N 3.25Å; L445-S447 PolarHBondContact O-N 3.49Å; S447-K450 PolarHBondContact O-N 3.04Å; S447-D451 WeakPolarHBondContact O-CB 3.27Å; S447-D451 PolarHBondContact O-N 3.44Å; S447-Y462 VanDerWaalsContact CA-OH 3.26Å; S447-Y462 WeakPolarHBondContact CA-OH 3.3Å; S447-Y462 PolarHBondContact N-OH 2.74Å
448	I	95	Very high	95.5	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-63.8	-44.9	176.1	-72.4	-176	0	0	0	110.9	V421 A424 M425 Y428 N444 L445 K450 D451 S452	V421-I448 HydrophobicContact CG1-CD1 4.27Å; V421-I448 HydrophobicContact CG1-CG1 4.41Å; V421-I448 HydrophobicContact CG1-CG2 3.64Å; A424-I448 HydrophobicContact CB-CD1 3.67Å; M425-I448 HydrophobicContact CB-CD1 4.22Å; M425-I448 HydrophobicContact CB-CG2 4.49Å; Y428-I448 HydrophobicContact CD2-CD1 3.91Å; Y428-I448 HydrophobicContact CE2-CD1 3.52Å; Y428-I448 HydrophobicContact CE2-CG1 4.22Å; N444-I448 PolarHBondContact O-N 3.01Å; L445-I448 PolarHBondContact O-N 3.42Å; L445-I448 VanDerWaalsContact O-N 3.09Å; I448-K450 VanDerWaalsContact C-N 3.33Å; I448-K450 PolarHBondContact O-N 3.02Å; I448-D451 PolarHBondContact O-N 3.27Å; I448-S452 WeakPolarHBondContact O-CB 3.48Å; I448-S452 PolarHBondContact O-N 2.92Å; I448-S452 PolarHBondContact O-OG 3.4Å
449	L	96.1	Very high	95.5	Very high	26 Å²	26	33.4 Å²	33.4	14%	0.136	21%	0.206	C	C	.	.	H	α-helix	trans	-60.1	-43.6	178.8	-69.2	168.9	0	0	0	111.7	L445 A446 S452 G453 N454 D457 A458	L445-L449 HydrophobicContact CG-CD1 4.13Å; L445-L449 WeakPolarHBondContact O-CG 3.33Å; L445-L449 PolarHBondContact O-N 3.22Å; A446-L449 PolarHBondContact O-N 2.95Å; L449-S452 CarbonylContact O-C 3.17Å; L449-S452 PolarHBondContact O-N 3.01Å; L449-G453 PolarHBondContact O-N 3.4Å; L449-N454 HydrophobicContact CD2-CB 4.35Å; L449-N454 PolarHBondContact O-N 3.35Å; L449-D457 HydrophobicContact CD1-CB 3.95Å; L449-D457 HydrophobicContact CD2-CB 4.48Å; L449-A458 HydrophobicContact CB-CB 3.88Å
450	K	94.1	Very high	95.6	Very high	29 Å²	29	37 Å²	37	13%	0.126	23%	0.228	C	C	.	.	H	α-helix	trans	-58.4	-51.7	173.8	174.9	-164.1	164.2	-173.5	0	111	A446 S447 I448 S452 G453 L455 A458 H481	A446-K450 WeakPolarHBondContact O-CB 3.49Å; A446-K450 PolarHBondContact O-N 3.39Å; S447-K450 PolarHBondContact O-N 3.04Å; I448-K450 VanDerWaalsContact C-N 3.33Å; I448-K450 PolarHBondContact O-N 3.02Å; K450-S452 PolarHBondContact O-N 3.06Å; K450-G453 PolarHBondContact O-N 3.02Å; K450-L455 HydrophobicContact CG-CD2 4.29Å; K450-A458 HydrophobicContact CB-CB 4.01Å; K450-H481 VanDerWaalsContact CE-CD2 3.45Å; K450-H481 WeakPolarHBondContact CE-CD2 3.36Å; K450-H481 PolarHBondContact NZ-CD2 3.39Å
451	D	89.5	Confident	95.7	Very high	105 Å²	105	35.2 Å²	35.2	56%	0.561	22%	0.22	S	C	*	.	H	α-helix	trans	-66.2	-23.1	-177.4	-65.3	-19.7	0	0	0	112	S447 I448 G453	S447-D451 WeakPolarHBondContact O-CB 3.27Å; S447-D451 PolarHBondContact O-N 3.44Å; I448-D451 PolarHBondContact O-N 3.27Å; D451-G453 VanDerWaalsContact C-N 3.34Å
452	S	91.2	Very high	95.7	Very high	78 Å²	78	35.2 Å²	35.2	55%	0.545	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-1.1	174.1	-51.7	0	0	0	0	113.4	I448 L449 K450 N454	I448-S452 WeakPolarHBondContact O-CB 3.48Å; I448-S452 PolarHBondContact O-N 2.92Å; I448-S452 PolarHBondContact O-OG 3.4Å; L449-S452 CarbonylContact O-C 3.17Å; L449-S452 PolarHBondContact O-N 3.01Å; K450-S452 PolarHBondContact O-N 3.06Å; S452-N454 VanDerWaalsContact C-N 3.32Å; S452-N454 PolarHBondContact O-N 2.87Å
453	G	88.3	Confident	95.7	Very high	53 Å²	53	39.5 Å²	39.5	55%	0.546	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	-1.1	-179.1	0	0	0	0	0	115.3	L449 K450 D451 L455	L449-G453 PolarHBondContact O-N 3.4Å; K450-G453 PolarHBondContact O-N 3.02Å; D451-G453 VanDerWaalsContact C-N 3.34Å; G453-L455 VanDerWaalsContact C-N 3.26Å; G453-L455 PolarHBondContact O-N 3.24Å
454	N	94.1	Very high	95.7	Very high	60 Å²	60	41.8 Å²	41.8	32%	0.321	25%	0.252	S	S	.	.			trans	-82.3	72.2	176.2	-169.6	-8.1	0	0	0	110.9	L449 S452 D457 A458	L449-N454 HydrophobicContact CD2-CB 4.35Å; L449-N454 PolarHBondContact O-N 3.35Å; S452-N454 VanDerWaalsContact C-N 3.32Å; S452-N454 PolarHBondContact O-N 2.87Å; N454-D457 PolarHBondContact ND2-OD2 3.08Å; N454-D457 WeakPolarHBondContact OD1-CB 3.21Å; N454-D457 PolarHBondContact OD1-N 3.21Å; N454-D457 PolarHBondContact OD1-OD2 3.4Å; N454-A458 WeakPolarHBondContact O-CB 3.34Å; N454-A458 PolarHBondContact O-N 3Å; N454-A458 VanDerWaalsContact O-N 3.09Å
455	L	94.6	Very high	95.8	Very high	14 Å²	14	39.9 Å²	39.9	7%	0.073	24%	0.242	C	C	.	.	H	α-helix	trans	-69.4	-34.3	-172.1	-67.8	164.1	0	0	0	113.2	K450 G453 A458 I459 I485 V486 P893 A895	K450-L455 HydrophobicContact CG-CD2 4.29Å; G453-L455 VanDerWaalsContact C-N 3.26Å; G453-L455 PolarHBondContact O-N 3.24Å; L455-A458 PolarHBondContact O-N 3.06Å; L455-I459 WeakPolarHBondContact O-CB 3.46Å; L455-I459 WeakPolarHBondContact O-CD1 3.26Å; L455-I459 WeakPolarHBondContact O-CG1 3.39Å; L455-I459 PolarHBondContact O-N 2.87Å; L455-I485 HydrophobicContact CD1-CG2 3.47Å; L455-I485 VanDerWaalsContact CD1-CG2 3.47Å; L455-I485 HydrophobicContact CD2-CD1 4.1Å; L455-I485 HydrophobicContact CD2-CG2 4.14Å; L455-I485 HydrophobicContact CG-CG2 4.46Å; L455-V486 HydrophobicContact CB-CG1 4.09Å; L455-V486 HydrophobicContact CD1-CG1 4.07Å; L455-P893 HydrophobicContact CD1-CB 4.35Å; L455-P893 HydrophobicContact CD1-CG 4.16Å; L455-A895 HydrophobicContact CD1-CB 3.77Å
456	A	94.9	Very high	95.8	Very high	65 Å²	65	40.3 Å²	40.3	54%	0.537	24%	0.244	S	C	.	.	H	α-helix	trans	-64.3	-46.1	-179.6	0	0	0	0	0	111.4	I459 T460	A456-I459 PolarHBondContact O-N 3.01Å; A456-T460 PolarHBondContact O-N 2.98Å; A456-T460 VanDerWaalsContact O-N 3.1Å; A456-T460 PolarHBondContact O-OG1 3.35Å
457	D	96.2	Very high	95.8	Very high	80 Å²	80	49.1 Å²	49.1	43%	0.428	28%	0.282	S	S	.	.	H	α-helix	trans	-70.7	-39.5	177.8	-66.1	-15.4	0	0	0	110.9	L449 N454 I459 T460 S461	L449-D457 HydrophobicContact CD1-CB 3.95Å; L449-D457 HydrophobicContact CD2-CB 4.48Å; N454-D457 PolarHBondContact ND2-OD2 3.08Å; N454-D457 WeakPolarHBondContact OD1-CB 3.21Å; N454-D457 PolarHBondContact OD1-N 3.21Å; N454-D457 PolarHBondContact OD1-OD2 3.4Å; D457-I459 VanDerWaalsContact C-N 3.34Å; D457-I459 PolarHBondContact O-N 3.26Å; D457-T460 PolarHBondContact O-N 3.23Å; D457-T460 VanDerWaalsContact O-N 3.15Å; D457-S461 PolarHBondContact O-N 2.55Å; D457-S461 PolarHBondContact O-OG 3.19Å
458	A	98	Very high	95.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-57.2	-45.9	173.9	0	0	0	0	0	112.2	A446 L449 K450 N454 L455 T460 S461 Y462	A446-A458 WeakPolarHBondContact O-CB 3.36Å; L449-A458 HydrophobicContact CB-CB 3.88Å; K450-A458 HydrophobicContact CB-CB 4.01Å; N454-A458 WeakPolarHBondContact O-CB 3.34Å; N454-A458 PolarHBondContact O-N 3Å; N454-A458 VanDerWaalsContact O-N 3.09Å; L455-A458 PolarHBondContact O-N 3.06Å; A458-T460 VanDerWaalsContact C-N 3.32Å; A458-T460 PolarHBondContact O-N 3.48Å; A458-S461 PolarHBondContact O-N 3.25Å; A458-Y462 HydrophobicContact CB-CE2 4.48Å; A458-Y462 WeakPolarHBondContact O-CD2 3.44Å; A458-Y462 PolarHBondContact O-N 3.26Å
459	I	98.2	Very high	96	Very high	19 Å²	19	55.2 Å²	55.2	10%	0.097	31%	0.309	C	S	.	.	H	α-helix	trans	-60.3	-44	176.6	-73.1	164.5	0	0	0	110.6	L455 A456 D457 K463 L479 C482 L483 V486	L455-I459 WeakPolarHBondContact O-CB 3.46Å; L455-I459 WeakPolarHBondContact O-CD1 3.26Å; L455-I459 WeakPolarHBondContact O-CG1 3.39Å; L455-I459 PolarHBondContact O-N 2.87Å; A456-I459 PolarHBondContact O-N 3.01Å; D457-I459 VanDerWaalsContact C-N 3.34Å; D457-I459 PolarHBondContact O-N 3.26Å; I459-K463 HydrophobicContact CG2-CD 4.15Å; I459-K463 WeakPolarHBondContact O-CB 3.26Å; I459-K463 WeakPolarHBondContact O-CG 3.41Å; I459-K463 PolarHBondContact O-N 2.94Å; I459-L479 HydrophobicContact CB-CD1 4.33Å; I459-L479 HydrophobicContact CG1-CD1 4.25Å; I459-L479 HydrophobicContact CG2-CD1 3.96Å; I459-C482 HydrophobicContact CD1-CB 4.22Å; I459-C482 HydrophobicContact CG1-CB 3.64Å; I459-L483 HydrophobicContact CD1-CD2 4.13Å; I459-L483 HydrophobicContact CG1-CD2 4.43Å; I459-L483 HydrophobicContact CG2-CD2 4.31Å; I459-V486 HydrophobicContact CD1-CG1 4.1Å; I459-V486 HydrophobicContact CD1-CG2 3.9Å
460	T	98.3	Very high	96	Very high	81 Å²	81	58.6 Å²	58.6	50%	0.497	33%	0.333	S	S	.	.	H	α-helix	trans	-63.1	-47.3	178.8	-58.3	0	0	0	0	111.3	A456 D457 A458 K463 T464	A456-T460 PolarHBondContact O-N 2.98Å; A456-T460 VanDerWaalsContact O-N 3.1Å; A456-T460 PolarHBondContact O-OG1 3.35Å; D457-T460 PolarHBondContact O-N 3.23Å; D457-T460 VanDerWaalsContact O-N 3.15Å; A458-T460 VanDerWaalsContact C-N 3.32Å; A458-T460 PolarHBondContact O-N 3.48Å; T460-K463 WeakPolarHBondContact O-CB 3.41Å; T460-K463 PolarHBondContact O-N 3.06Å; T460-T464 PolarHBondContact O-N 2.73Å; T460-T464 PolarHBondContact O-OG1 2.95Å
461	S	98.2	Very high	96	Very high	19 Å²	19	63.3 Å²	63.3	13%	0.133	36%	0.359	C	S	.	.	H	α-helix	trans	-63.5	-41.9	177.9	-65.7	0	0	0	0	112.8	D457 A458 K463 T464 A465	D457-S461 PolarHBondContact O-N 2.55Å; D457-S461 PolarHBondContact O-OG 3.19Å; A458-S461 PolarHBondContact O-N 3.25Å; S461-K463 PolarHBondContact O-N 3.26Å; S461-T464 WeakPolarHBondContact O-CB 3.36Å; S461-T464 PolarHBondContact O-N 2.81Å; S461-A465 PolarHBondContact O-N 3.4Å
462	Y	98.6	Very high	96.3	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-63.9	-39.4	173.7	-76.1	-56	0	0	0	112.5	A446 S447 A458 T464 A465 L466 A475 N478 L479	A446-Y462 HydrophobicContact CB-CD1 3.68Å; A446-Y462 HydrophobicContact CB-CD2 3.67Å; A446-Y462 HydrophobicContact CB-CE1 3.58Å; A446-Y462 HydrophobicContact CB-CE2 3.55Å; A446-Y462 HydrophobicContact CB-CG 3.7Å; A446-Y462 VanDerWaalsContact CB-CZ 3.49Å; S447-Y462 VanDerWaalsContact CA-OH 3.26Å; S447-Y462 WeakPolarHBondContact CA-OH 3.3Å; S447-Y462 PolarHBondContact N-OH 2.74Å; A458-Y462 HydrophobicContact CB-CE2 4.48Å; A458-Y462 WeakPolarHBondContact O-CD2 3.44Å; A458-Y462 PolarHBondContact O-N 3.26Å; Y462-T464 VanDerWaalsContact C-N 3.32Å; Y462-T464 PolarHBondContact O-N 3.25Å; Y462-A465 PolarHBondContact O-N 2.87Å; Y462-L466 WeakPolarHBondContact O-CG 3.43Å; Y462-L466 PolarHBondContact O-N 3.45Å; Y462-A475 HydrophobicContact CD1-CB 4.09Å; Y462-N478 HydrophobicContact CD1-CB 4.38Å; Y462-N478 HydrophobicContact CE1-CB 3.64Å; Y462-N478 HydrophobicContact CE2-CB 3.91Å; Y462-N478 WeakPolarHBondContact OH-CB 3.44Å; Y462-L479 HydrophobicContact CG-CB 4.31Å
463	K	98.4	Very high	96.5	Very high	114 Å²	114	56 Å²	56	50%	0.496	31%	0.314	S	S	.	.	H	α-helix	trans	-61.8	-40.9	174.3	-77	177.6	176.9	179.9	0	111.4	I459 T460 S461 L466 K467 L479	I459-K463 HydrophobicContact CG2-CD 4.15Å; I459-K463 WeakPolarHBondContact O-CB 3.26Å; I459-K463 WeakPolarHBondContact O-CG 3.41Å; I459-K463 PolarHBondContact O-N 2.94Å; T460-K463 WeakPolarHBondContact O-CB 3.41Å; T460-K463 PolarHBondContact O-N 3.06Å; S461-K463 PolarHBondContact O-N 3.26Å; K463-L466 PolarHBondContact O-N 2.88Å; K463-K467 WeakPolarHBondContact O-CB 3.11Å; K463-K467 PolarHBondContact O-N 2.9Å; K463-L479 HydrophobicContact CG-CD1 4.45Å; K463-L479 HydrophobicContact CG-CD2 4.09Å
464	T	98.5	Very high	96.8	Very high	53 Å²	53	57 Å²	57	33%	0.325	31%	0.307	S	S	.	.	H	α-helix	trans	-62.3	-46.9	173.8	-60.5	0	0	0	0	111.6	T460 S461 Y462 L466 K467 L468	T460-T464 PolarHBondContact O-N 2.73Å; T460-T464 PolarHBondContact O-OG1 2.95Å; S461-T464 WeakPolarHBondContact O-CB 3.36Å; S461-T464 PolarHBondContact O-N 2.81Å; Y462-T464 VanDerWaalsContact C-N 3.32Å; Y462-T464 PolarHBondContact O-N 3.25Å; T464-L466 VanDerWaalsContact C-N 3.31Å; T464-L466 PolarHBondContact O-N 3.37Å; T464-K467 WeakPolarHBondContact O-CB 3.44Å; T464-K467 PolarHBondContact O-N 3.45Å; T464-K467 VanDerWaalsContact O-N 3.14Å; T464-L468 HydrophobicContact CG2-CD1 4.09Å; T464-L468 WeakPolarHBondContact O-CG 3.17Å; T464-L468 PolarHBondContact O-N 2.92Å
465	A	98.5	Very high	96.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-57.1	-43.7	176.6	0	0	0	0	0	112	H442 S461 Y462 L468 K469 F472 A475	H442-A465 HydrophobicContact CB-CB 3.97Å; S461-A465 PolarHBondContact O-N 3.4Å; Y462-A465 PolarHBondContact O-N 2.87Å; A465-L468 PolarHBondContact O-N 2.97Å; A465-K469 PolarHBondContact O-N 3.01Å; A465-F472 HydrophobicContact CB-CD1 4.34Å; A465-F472 HydrophobicContact CB-CE1 4.34Å; A465-A475 HydrophobicContact CB-CB 4.32Å
466	L	98.1	Very high	97.1	Very high	28 Å²	28	54.4 Å²	54.4	15%	0.147	29%	0.293	C	S	.	.	H	α-helix	trans	-71.1	-29.4	177.5	-72.4	165.4	0	0	0	113.5	Y462 K463 T464 K469 P470 F472 A475 F476 L479	Y462-L466 WeakPolarHBondContact O-CG 3.43Å; Y462-L466 PolarHBondContact O-N 3.45Å; K463-L466 PolarHBondContact O-N 2.88Å; T464-L466 VanDerWaalsContact C-N 3.31Å; T464-L466 PolarHBondContact O-N 3.37Å; L466-K469 CarbonylContact O-C 3.46Å; L466-K469 VanDerWaalsContact O-C 3.25Å; L466-P470 VanDerWaalsContact O-CA 3.24Å; L466-P470 WeakPolarHBondContact O-CA 3.24Å; L466-F472 HydrophobicContact CD2-CB 4.06Å; L466-A475 HydrophobicContact CD2-CB 4.15Å; L466-A475 HydrophobicContact CG-CB 4.09Å; L466-F476 HydrophobicContact CD1-CD2 4.38Å; L466-F476 HydrophobicContact CD2-CB 4.08Å; L466-L479 HydrophobicContact CD1-CB 4.46Å; L466-L479 HydrophobicContact CD1-CD2 3.56Å
467	K	98.3	Very high	97.2	Very high	184 Å²	184	51.6 Å²	51.6	80%	0.8	27%	0.269	S	S	*	.	H	α-helix	trans	-67.1	-40.6	172.3	-178.3	179.1	177	-177.3	0	111.3	K463 T464	K463-K467 WeakPolarHBondContact O-CB 3.11Å; K463-K467 PolarHBondContact O-N 2.9Å; T464-K467 WeakPolarHBondContact O-CB 3.44Å; T464-K467 PolarHBondContact O-N 3.45Å; T464-K467 VanDerWaalsContact O-N 3.14Å
468	L	97.7	Very high	97.2	Very high	75 Å²	75	49.6 Å²	49.6	39%	0.393	26%	0.258	S	S	.	.	H	α-helix	trans	-72.8	-39.2	177.5	-66.5	169.8	0	0	0	111.8	A437 A439 T464 A465	A437-L468 HydrophobicContact CB-CD2 4.29Å; A439-L468 HydrophobicContact CB-CB 4.01Å; T464-L468 HydrophobicContact CG2-CD1 4.09Å; T464-L468 WeakPolarHBondContact O-CG 3.17Å; T464-L468 PolarHBondContact O-N 2.92Å; A465-L468 PolarHBondContact O-N 2.97Å
469	K	97.2	Very high	97.1	Very high	77 Å²	77	50.4 Å²	50.4	34%	0.335	26%	0.262	S	S	.	.			trans	-132.8	89.7	-178.7	-172.1	178.9	176.2	178.8	0	109.8	A439 D440 A465 L466 N471 F472	A439-K469 HydrophobicContact CB-CB 3.67Å; A439-K469 HydrophobicContact CB-CD 4.16Å; D440-K469 IonicContact OD1-NZ 3.13Å; D440-K469 PolarHBondContact OD1-NZ 3.18Å; D440-K469 IonicContact OD2-NZ 2.69Å; D440-K469 PolarHBondContact OD2-NZ 3.42Å; A465-K469 PolarHBondContact O-N 3.01Å; L466-K469 CarbonylContact O-C 3.46Å; L466-K469 VanDerWaalsContact O-C 3.25Å; K469-N471 VanDerWaalsContact C-N 3.29Å; K469-N471 PolarHBondContact O-N 3.13Å; K469-F472 HydrophobicContact CB-CB 4.31Å; K469-F472 HydrophobicContact CB-CD1 4.27Å; K469-F472 HydrophobicContact CD-CB 4.14Å; K469-F472 HydrophobicContact CD-CD1 3.9Å; K469-F472 HydrophobicContact CD-CE1 4.39Å; K469-F472 HydrophobicContact CD-CG 3.97Å; K469-F472 HydrophobicContact CG-CB 4.03Å; K469-F472 HydrophobicContact CG-CD1 4.41Å; K469-F472 HydrophobicContact CG-CG 4.39Å; K469-F472 VanDerWaalsContact O-CB 3.27Å; K469-F472 WeakPolarHBondContact O-CB 3.41Å
470	P	95.8	Very high	97	Very high	96 Å²	96	49.5 Å²	49.5	62%	0.623	26%	0.258	S	S	*	.	S	Bend	trans	-61.6	-32	-177.2	-27.8	36.3	0	0	0	114.7	L466 F472	L466-P470 VanDerWaalsContact O-CA 3.24Å; L466-P470 WeakPolarHBondContact O-CA 3.24Å; P470-F472 PolarHBondContact O-N 3.43Å
471	N	93.3	Very high	96.9	Very high	129 Å²	129	46.3 Å²	46.3	69%	0.69	24%	0.237	S	C	*	.	S	Bend	trans	-92.9	74	173.4	-171	17.1	0	0	0	110.5	K469	K469-N471 VanDerWaalsContact C-N 3.29Å; K469-N471 PolarHBondContact O-N 3.13Å
472	F	96	Very high	96.8	Very high	10 Å²	10	45.4 Å²	45.4	4%	0.044	23%	0.231	C	C	.	.			trans	-133.6	84.1	180	-162.4	177.8	0	0	0	111.7	A439 D440 A465 L466 K469 P470 D474 A475 F476	A439-F472 HydrophobicContact CB-CD1 4.37Å; A439-F472 HydrophobicContact CB-CE1 4.23Å; D440-F472 HydrophobicContact CB-CZ 4.38Å; D440-F472 WeakPolarHBondContact OD1-CZ 3.42Å; A465-F472 HydrophobicContact CB-CD1 4.34Å; A465-F472 HydrophobicContact CB-CE1 4.34Å; L466-F472 HydrophobicContact CD2-CB 4.06Å; K469-F472 HydrophobicContact CB-CB 4.31Å; K469-F472 HydrophobicContact CB-CD1 4.27Å; K469-F472 HydrophobicContact CD-CB 4.14Å; K469-F472 HydrophobicContact CD-CD1 3.9Å; K469-F472 HydrophobicContact CD-CE1 4.39Å; K469-F472 HydrophobicContact CD-CG 3.97Å; K469-F472 HydrophobicContact CG-CB 4.03Å; K469-F472 HydrophobicContact CG-CD1 4.41Å; K469-F472 HydrophobicContact CG-CG 4.39Å; K469-F472 VanDerWaalsContact O-CB 3.27Å; K469-F472 WeakPolarHBondContact O-CB 3.41Å; P470-F472 PolarHBondContact O-N 3.43Å; F472-D474 VanDerWaalsContact C-N 3.35Å; F472-D474 HydrophobicContact CD2-CB 4.3Å; F472-D474 HydrophobicContact CE2-CB 3.98Å; F472-D474 PolarHBondContact O-N 3.24Å; F472-A475 HydrophobicContact CB-CB 4.19Å; F472-A475 HydrophobicContact CD1-CB 3.56Å; F472-A475 HydrophobicContact CD2-CB 4.23Å; F472-A475 HydrophobicContact CE1-CB 3.96Å; F472-A475 HydrophobicContact CG-CB 3.71Å; F472-A475 HydrophobicContact CZ-CB 4.45Å; F472-A475 PolarHBondContact O-N 3.09Å; F472-F476 PolarHBondContact O-N 3.3Å
473	P	95.7	Very high	96.8	Very high	18 Å²	18	46 Å²	46	12%	0.117	23%	0.234	C	C	.	.	H	α-helix	trans	-57.5	-39.7	-174.7	-28.6	37.1	0	0	0	114.7	F476 C477 M502 S514	P473-F476 PolarHBondContact O-N 3.44Å; P473-C477 WeakPolarHBondContact O-CB 3.48Å; P473-C477 PolarHBondContact O-N 3.46Å; P473-C477 PolarHBondContact O-SG 3.27Å; P473-M502 HydrophobicContact CB-SD 4.22Å; P473-S514 WeakPolarHBondContact CB-OG 3.39Å
474	D	94	Very high	96.6	Very high	75 Å²	75	40.8 Å²	40.8	40%	0.401	21%	0.212	S	C	.	.	H	α-helix	trans	-63.9	-47.9	-179.5	-60.3	-53.8	0	0	0	111.9	F472 F476 N478 S514	F472-D474 VanDerWaalsContact C-N 3.35Å; F472-D474 HydrophobicContact CD2-CB 4.3Å; F472-D474 HydrophobicContact CE2-CB 3.98Å; F472-D474 PolarHBondContact O-N 3.24Å; D474-F476 VanDerWaalsContact C-N 3.31Å; D474-F476 PolarHBondContact O-N 2.64Å; D474-N478 WeakPolarHBondContact O-CB 3.48Å; D474-N478 PolarHBondContact O-N 3.26Å; D474-N478 PolarHBondContact O-ND2 3.04Å; D474-S514 PolarHBondContact N-OG 3.17Å; D474-S514 VanDerWaalsContact OD1-CB 3.24Å; D474-S514 WeakPolarHBondContact OD1-CB 3.35Å; D474-S514 PolarHBondContact OD1-OG 2.87Å
475	A	97.2	Very high	96.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.7	-39.3	175.2	0	0	0	0	0	111.5	Y462 A465 L466 F472 L479	Y462-A475 HydrophobicContact CD1-CB 4.09Å; A465-A475 HydrophobicContact CB-CB 4.32Å; L466-A475 HydrophobicContact CD2-CB 4.15Å; L466-A475 HydrophobicContact CG-CB 4.09Å; F472-A475 HydrophobicContact CB-CB 4.19Å; F472-A475 HydrophobicContact CD1-CB 3.56Å; F472-A475 HydrophobicContact CD2-CB 4.23Å; F472-A475 HydrophobicContact CE1-CB 3.96Å; F472-A475 HydrophobicContact CG-CB 3.71Å; F472-A475 HydrophobicContact CZ-CB 4.45Å; F472-A475 PolarHBondContact O-N 3.09Å; A475-L479 VanDerWaalsContact O-CB 3.23Å; A475-L479 WeakPolarHBondContact O-CB 3.43Å; A475-L479 PolarHBondContact O-N 3.02Å
476	F	97.9	Very high	96.4	Very high	20 Å²	20	40 Å²	40	9%	0.088	21%	0.206	C	C	.	.	H	α-helix	trans	-65.3	-48	178.6	-174.3	-91.5	0	0	0	112.7	L466 F472 P473 D474 L479 A480 R495 K498 L499 M502	L466-F476 HydrophobicContact CD1-CD2 4.38Å; L466-F476 HydrophobicContact CD2-CB 4.08Å; F472-F476 PolarHBondContact O-N 3.3Å; P473-F476 PolarHBondContact O-N 3.44Å; D474-F476 VanDerWaalsContact C-N 3.31Å; D474-F476 PolarHBondContact O-N 2.64Å; F476-L479 PolarHBondContact O-N 2.74Å; F476-A480 WeakPolarHBondContact O-CB 3.24Å; F476-A480 PolarHBondContact O-N 3.28Å; F476-R495 HydrophobicContact CE1-CG 4.45Å; F476-R495 HydrophobicContact CZ-CG 4.01Å; F476-K498 HydrophobicContact CD2-CD 4.38Å; F476-K498 HydrophobicContact CE1-CB 4.07Å; F476-K498 HydrophobicContact CE1-CD 4.19Å; F476-K498 HydrophobicContact CE1-CG 3.87Å; F476-K498 HydrophobicContact CE2-CD 3.67Å; F476-K498 HydrophobicContact CE2-CG 4.27Å; F476-K498 HydrophobicContact CZ-CB 3.87Å; F476-K498 HydrophobicContact CZ-CD 3.56Å; F476-K498 HydrophobicContact CZ-CG 3.71Å; F476-L499 HydrophobicContact CE1-CB 4.21Å; F476-M502 HydrophobicContact CB-CE 4.07Å; F476-M502 HydrophobicContact CB-SD 3.96Å; F476-M502 HydrophobicContact CD1-CE 4.13Å; F476-M502 HydrophobicContact CD1-SD 3.45Å; F476-M502 WeakPolarHBondContact CD1-SD 3.42Å; F476-M502 HydrophobicContact CD2-CE 4.48Å; F476-M502 HydrophobicContact CE1-SD 4.18Å; F476-M502 HydrophobicContact CG-CE 3.96Å; F476-M502 HydrophobicContact CG-SD 3.82Å
477	C	96.5	Very high	96.4	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.034	20%	0.2	C	C	.	.	H	α-helix	trans	-66.3	-40.1	-179.4	-65.8	0	0	0	0	111.4	P473 A480 H481 V515	P473-C477 WeakPolarHBondContact O-CB 3.48Å; P473-C477 PolarHBondContact O-N 3.46Å; P473-C477 PolarHBondContact O-SG 3.27Å; C477-A480 PolarHBondContact O-N 3.31Å; C477-H481 PolarHBondContact O-N 2.89Å; C477-V515 HydrophobicContact CB-CG2 4.15Å
478	N	96.1	Very high	96.3	Very high	39 Å²	39	32.5 Å²	32.5	21%	0.209	18%	0.175	C	C	.	.	H	α-helix	trans	-68.4	-38.7	175.9	-75.3	-49.9	0	0	0	112.6	Y462 D474 H481 C482	Y462-N478 HydrophobicContact CD1-CB 4.38Å; Y462-N478 HydrophobicContact CE1-CB 3.64Å; Y462-N478 HydrophobicContact CE2-CB 3.91Å; Y462-N478 WeakPolarHBondContact OH-CB 3.44Å; D474-N478 WeakPolarHBondContact O-CB 3.48Å; D474-N478 PolarHBondContact O-N 3.26Å; D474-N478 PolarHBondContact O-ND2 3.04Å; N478-H481 PolarHBondContact O-N 2.98Å; N478-C482 PolarHBondContact O-N 3.26Å; N478-C482 PolarHBondContact O-SG 3.21Å; N478-C482 VanDerWaalsContact O-SG 3.4Å
479	L	97.2	Very high	96.2	Very high	16 Å²	16	30.2 Å²	30.2	8%	0.084	16%	0.161	C	C	.	.	H	α-helix	trans	-60.1	-46.4	170.6	176.6	58.7	0	0	0	111.1	I459 Y462 K463 L466 A475 F476 H481 C482 L483	I459-L479 HydrophobicContact CB-CD1 4.33Å; I459-L479 HydrophobicContact CG1-CD1 4.25Å; I459-L479 HydrophobicContact CG2-CD1 3.96Å; Y462-L479 HydrophobicContact CG-CB 4.31Å; K463-L479 HydrophobicContact CG-CD1 4.45Å; K463-L479 HydrophobicContact CG-CD2 4.09Å; L466-L479 HydrophobicContact CD1-CB 4.46Å; L466-L479 HydrophobicContact CD1-CD2 3.56Å; A475-L479 VanDerWaalsContact O-CB 3.23Å; A475-L479 WeakPolarHBondContact O-CB 3.43Å; A475-L479 PolarHBondContact O-N 3.02Å; F476-L479 PolarHBondContact O-N 2.74Å; L479-H481 PolarHBondContact O-N 3.44Å; L479-C482 PolarHBondContact O-N 2.92Å; L479-C482 VanDerWaalsContact O-N 3.09Å; L479-L483 HydrophobicContact CD1-CD1 3.98Å; L479-L483 HydrophobicContact CD1-CD2 4.39Å; L479-L483 HydrophobicContact CD1-CG 3.94Å; L479-L483 HydrophobicContact CG-CD1 3.87Å; L479-L483 HydrophobicContact CG-CG 4.28Å; L479-L483 VanDerWaalsContact O-CG 3.32Å; L479-L483 WeakPolarHBondContact O-CG 3.38Å; L479-L483 PolarHBondContact O-N 3.36Å
480	A	96.5	Very high	96.1	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.008	18%	0.179	C	C	.	.	H	α-helix	trans	-58.7	-37.9	178.6	0	0	0	0	0	112	F476 C477 Q484 R495 L499	F476-A480 WeakPolarHBondContact O-CB 3.24Å; F476-A480 PolarHBondContact O-N 3.28Å; C477-A480 PolarHBondContact O-N 3.31Å; A480-Q484 WeakPolarHBondContact O-CB 3.5Å; A480-Q484 PolarHBondContact O-N 2.9Å; A480-R495 HydrophobicContact CB-CG 4.03Å; A480-L499 HydrophobicContact CB-CD1 4.08Å
481	H	95.1	Very high	96	Very high	13 Å²	13	30.1 Å²	30.1	6%	0.06	17%	0.167	C	C	.	.	H	α-helix	trans	-67.8	-43.9	173.1	-171.3	82.4	0	0	0	112.7	K450 C477 N478 L479 L483 Q484 I485 H519 Y523	K450-H481 VanDerWaalsContact CE-CD2 3.45Å; K450-H481 WeakPolarHBondContact CE-CD2 3.36Å; K450-H481 PolarHBondContact NZ-CD2 3.39Å; C477-H481 PolarHBondContact O-N 2.89Å; N478-H481 PolarHBondContact O-N 2.98Å; L479-H481 PolarHBondContact O-N 3.44Å; H481-L483 VanDerWaalsContact C-N 3.31Å; H481-L483 PolarHBondContact O-N 3.44Å; H481-Q484 WeakPolarHBondContact O-CB 3.45Å; H481-Q484 PolarHBondContact O-N 3.37Å; H481-I485 VanDerWaalsContact CD2-CD1 3.47Å; H481-I485 WeakPolarHBondContact CD2-CD1 3.3Å; H481-I485 WeakPolarHBondContact O-CG1 3.42Å; H481-I485 PolarHBondContact O-N 3.33Å; H481-H519 AromaticContact CE1-CD2 3.47Å; H481-H519 PolarHBondContact CE1-CD2 3.41Å; H481-H519 VanDerWaalsContact CE1-CD2 3.47Å; H481-H519 AromaticContact CE1-CG 3.89Å; H481-H519 AromaticContact CE1-NE2 3.63Å; H481-H519 AromaticContact ND1-CD2 3.91Å; H481-H519 AromaticContact ND1-CG 3.86Å; H481-H519 AromaticContact NE2-NE2 3.88Å; H481-Y523 WeakPolarHBondContact CB-OH 3.38Å; H481-Y523 PolarHBondContact ND1-OH 3.47Å
482	C	96.6	Very high	96.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-41.8	174.2	-69	0	0	0	0	112	I459 N478 L479 Q484 I485 V486	I459-C482 HydrophobicContact CD1-CB 4.22Å; I459-C482 HydrophobicContact CG1-CB 3.64Å; N478-C482 PolarHBondContact O-N 3.26Å; N478-C482 PolarHBondContact O-SG 3.21Å; N478-C482 VanDerWaalsContact O-SG 3.4Å; L479-C482 PolarHBondContact O-N 2.92Å; L479-C482 VanDerWaalsContact O-N 3.09Å; C482-Q484 VanDerWaalsContact C-N 3.33Å; C482-I485 WeakPolarHBondContact O-CB 3.42Å; C482-I485 PolarHBondContact O-N 3.49Å; C482-V486 PolarHBondContact O-N 3.09Å; C482-V486 VanDerWaalsContact O-N 3.08Å
483	L	97.2	Very high	96.2	Very high	13 Å²	13	33.8 Å²	33.8	7%	0.068	18%	0.176	C	C	.	.	H	α-helix	trans	-66.9	-35.3	176.9	-64.7	172.3	0	0	0	112.1	I459 L479 H481 I485 V486 C487 D488 R495	I459-L483 HydrophobicContact CD1-CD2 4.13Å; I459-L483 HydrophobicContact CG1-CD2 4.43Å; I459-L483 HydrophobicContact CG2-CD2 4.31Å; L479-L483 HydrophobicContact CD1-CD1 3.98Å; L479-L483 HydrophobicContact CD1-CD2 4.39Å; L479-L483 HydrophobicContact CD1-CG 3.94Å; L479-L483 HydrophobicContact CG-CD1 3.87Å; L479-L483 HydrophobicContact CG-CG 4.28Å; L479-L483 VanDerWaalsContact O-CG 3.32Å; L479-L483 WeakPolarHBondContact O-CG 3.38Å; L479-L483 PolarHBondContact O-N 3.36Å; H481-L483 VanDerWaalsContact C-N 3.31Å; H481-L483 PolarHBondContact O-N 3.44Å; L483-I485 VanDerWaalsContact C-N 3.33Å; L483-V486 PolarHBondContact O-N 3.43Å; L483-C487 PolarHBondContact O-N 2.99Å; L483-D488 HydrophobicContact CB-CB 4.35Å; L483-D488 HydrophobicContact CD2-CB 3.99Å; L483-D488 PolarHBondContact O-N 2.69Å; L483-R495 VanDerWaalsContact CD1-CZ 3.47Å
484	Q	95.7	Very high	96.3	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.019	20%	0.198	C	C	.	.	H	α-helix	trans	-63.2	-39.3	171	-176	59.4	49	0	0	111.7	A480 H481 C482 C487 Y865 V867	A480-Q484 WeakPolarHBondContact O-CB 3.5Å; A480-Q484 PolarHBondContact O-N 2.9Å; H481-Q484 WeakPolarHBondContact O-CB 3.45Å; H481-Q484 PolarHBondContact O-N 3.37Å; C482-Q484 VanDerWaalsContact C-N 3.33Å; Q484-C487 PolarHBondContact O-N 3.35Å; Q484-Y865 WeakPolarHBondContact CG-O 3.45Å; Q484-Y865 PolarHBondContact NE2-O 2.91Å; Q484-V867 PolarHBondContact NE2-O 3.44Å
485	I	95.3	Very high	96.4	Very high	16 Å²	16	35.5 Å²	35.5	8%	0.082	18%	0.18	C	C	.	.	H	α-helix	trans	-64.4	-42.3	177.5	-69.8	168.4	0	0	0	112	L455 H481 C482 L483 C487 P893	L455-I485 HydrophobicContact CD1-CG2 3.47Å; L455-I485 VanDerWaalsContact CD1-CG2 3.47Å; L455-I485 HydrophobicContact CD2-CD1 4.1Å; L455-I485 HydrophobicContact CD2-CG2 4.14Å; L455-I485 HydrophobicContact CG-CG2 4.46Å; H481-I485 VanDerWaalsContact CD2-CD1 3.47Å; H481-I485 WeakPolarHBondContact CD2-CD1 3.3Å; H481-I485 WeakPolarHBondContact O-CG1 3.42Å; H481-I485 PolarHBondContact O-N 3.33Å; C482-I485 WeakPolarHBondContact O-CB 3.42Å; C482-I485 PolarHBondContact O-N 3.49Å; L483-I485 VanDerWaalsContact C-N 3.33Å; I485-C487 VanDerWaalsContact C-N 3.26Å; I485-C487 PolarHBondContact O-N 2.97Å; I485-P893 HydrophobicContact CG2-CB 4.43Å; I485-P893 HydrophobicContact CG2-CG 3.15Å
486	V	96.8	Very high	96.5	Very high	22 Å²	22	35.8 Å²	35.8	13%	0.133	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	8	-179	-55.3	0	0	0	0	113.6	L455 I459 C482 L483 D488 A895	L455-V486 HydrophobicContact CB-CG1 4.09Å; L455-V486 HydrophobicContact CD1-CG1 4.07Å; I459-V486 HydrophobicContact CD1-CG1 4.1Å; I459-V486 HydrophobicContact CD1-CG2 3.9Å; C482-V486 PolarHBondContact O-N 3.09Å; C482-V486 VanDerWaalsContact O-N 3.08Å; L483-V486 PolarHBondContact O-N 3.43Å; V486-D488 HydrophobicContact CG2-CB 4.04Å; V486-D488 PolarHBondContact O-N 3.25Å; V486-A895 HydrophobicContact CG1-CB 3.88Å
487	C	97.6	Very high	96.5	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.014	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	32.5	-178	-55	0	0	0	0	113.8	L483 Q484 I485 W489 G896 A900	L483-C487 PolarHBondContact O-N 2.99Å; Q484-C487 PolarHBondContact O-N 3.35Å; I485-C487 VanDerWaalsContact C-N 3.26Å; I485-C487 PolarHBondContact O-N 2.97Å; C487-W489 HydrophobicContact CB-CH2 4.35Å; C487-W489 HydrophobicContact CB-CZ2 3.92Å; C487-W489 PolarHBondContact O-N 3.46Å; C487-G896 PolarHBondContact SG-O 3.31Å; C487-A900 HydrophobicContact CB-CB 4.31Å
488	D	97.1	Very high	96.5	Very high	52 Å²	52	46.1 Å²	46.1	28%	0.278	23%	0.226	S	C	.	.			trans	-84.5	105.8	171.1	-179.1	-10.9	0	0	0	109.4	L483 V486 S490 R495	L483-D488 HydrophobicContact CB-CB 4.35Å; L483-D488 HydrophobicContact CD2-CB 3.99Å; L483-D488 PolarHBondContact O-N 2.69Å; V486-D488 HydrophobicContact CG2-CB 4.04Å; V486-D488 PolarHBondContact O-N 3.25Å; D488-S490 WeakPolarHBondContact OD1-CB 3.31Å; D488-S490 PolarHBondContact OD1-N 3.49Å; D488-S490 VanDerWaalsContact OD1-N 3.1Å; D488-S490 PolarHBondContact OD1-OG 2.93Å; D488-R495 PolarHBondContact O-NH1 3.45Å; D488-R495 PolarHBondContact O-NH2 2.9Å; D488-R495 IonicContact OD1-NH2 2.78Å
489	W	96.3	Very high	96.6	Very high	27 Å²	27	44.3 Å²	44.3	10%	0.102	22%	0.216	C	C	.	.			trans	-112	12.1	-178	-56.2	-35.6	0	0	0	114.3	C487 D491 Y492 V867 P869 M872 A903	C487-W489 HydrophobicContact CB-CH2 4.35Å; C487-W489 HydrophobicContact CB-CZ2 3.92Å; C487-W489 PolarHBondContact O-N 3.46Å; W489-D491 VanDerWaalsContact C-N 3.28Å; W489-D491 PolarHBondContact O-N 3.15Å; W489-D491 VanDerWaalsContact O-N 3.17Å; W489-Y492 AromaticContact CD1-CD2 3.89Å; W489-Y492 HydrophobicContact CG-CD2 4.5Å; W489-Y492 WeakPolarHBondContact O-CB 3.47Å; W489-Y492 PolarHBondContact O-N 3.39Å; W489-Y492 VanDerWaalsContact O-N 3.11Å; W489-V867 HydrophobicContact CH2-CB 4.38Å; W489-V867 HydrophobicContact CH2-CG1 3.8Å; W489-V867 HydrophobicContact CZ2-CB 4.26Å; W489-V867 HydrophobicContact CZ2-CG1 4.12Å; W489-V867 WeakPolarHBondContact CZ2-O 3.5Å; W489-P869 HydrophobicContact CB-CG 3.82Å; W489-P869 HydrophobicContact CD2-CG 3.85Å; W489-P869 HydrophobicContact CE3-CG 4.23Å; W489-P869 HydrophobicContact CG-CG 3.65Å; W489-M872 HydrophobicContact CH2-CB 3.86Å; W489-M872 HydrophobicContact CH2-CE 3.97Å; W489-M872 HydrophobicContact CH2-CG 4.32Å; W489-M872 HydrophobicContact CZ3-CB 3.59Å; W489-M872 HydrophobicContact CZ3-CE 4.26Å; W489-M872 HydrophobicContact CZ3-CG 3.86Å; W489-A903 HydrophobicContact CE3-CB 3.4Å; W489-A903 HydrophobicContact CZ3-CB 3.39Å
490	S	93.2	Very high	96.6	Very high	102 Å²	102	45 Å²	45	71%	0.713	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-40	-175.7	54.5	0	0	0	0	114.1	D488	D488-S490 WeakPolarHBondContact OD1-CB 3.31Å; D488-S490 PolarHBondContact OD1-N 3.49Å; D488-S490 VanDerWaalsContact OD1-N 3.1Å; D488-S490 PolarHBondContact OD1-OG 2.93Å
491	D	94.6	Very high	96.6	Very high	68 Å²	68	47.9 Å²	47.9	36%	0.364	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118	21.1	177.5	75.9	-28.2	0	0	0	113.7	W489 K493 H494 R495	W489-D491 VanDerWaalsContact C-N 3.28Å; W489-D491 PolarHBondContact O-N 3.15Å; W489-D491 VanDerWaalsContact O-N 3.17Å; D491-K493 PolarHBondContact O-N 3.25Å; D491-K493 VanDerWaalsContact O-N 3.12Å; D491-H494 PolarHBondContact O-N 2.85Å; D491-R495 WeakPolarHBondContact O-CB 3.41Å; D491-R495 PolarHBondContact O-N 3.01Å; D491-R495 IonicContact OD1-CZ 2.69Å; D491-R495 IonicContact OD1-NE 3.63Å; D491-R495 PolarHBondContact OD1-NE 3.05Å; D491-R495 IonicContact OD1-NH2 3.89Å; D491-R495 PolarHBondContact OD1-NH2 3.1Å; D491-R495 IonicContact OD2-NE 3.67Å
492	Y	96.8	Very high	96.7	Very high	31 Å²	31	48.2 Å²	48.2	12%	0.122	24%	0.243	C	C	.	.	H	α-helix	trans	-48.1	-48.8	-167.9	-178.6	-91.8	0	0	0	114.3	W489 H494 R495 M496 P869	W489-Y492 AromaticContact CD1-CD2 3.89Å; W489-Y492 HydrophobicContact CG-CD2 4.5Å; W489-Y492 WeakPolarHBondContact O-CB 3.47Å; W489-Y492 PolarHBondContact O-N 3.39Å; W489-Y492 VanDerWaalsContact O-N 3.11Å; Y492-H494 PolarHBondContact O-N 3.44Å; Y492-R495 PolarHBondContact O-N 3.39Å; Y492-M496 HydrophobicContact CD1-CG 4.05Å; Y492-M496 HydrophobicContact CD2-CE 4.28Å; Y492-M496 HydrophobicContact CD2-CG 4.32Å; Y492-M496 HydrophobicContact CE1-CG 3.68Å; Y492-M496 HydrophobicContact CE2-CE 4.01Å; Y492-M496 HydrophobicContact CE2-CG 3.98Å; Y492-M496 HydrophobicContact CE2-SD 4.25Å; Y492-M496 HydrophobicContact CG-CG 4.36Å; Y492-M496 WeakPolarHBondContact O-CB 3.37Å; Y492-M496 VanDerWaalsContact O-CG 3.31Å; Y492-M496 WeakPolarHBondContact O-CG 3.45Å; Y492-M496 PolarHBondContact O-N 2.99Å; Y492-P869 HydrophobicContact CD1-CG 3.74Å; Y492-P869 HydrophobicContact CD2-CG 3.96Å; Y492-P869 HydrophobicContact CE1-CG 4.12Å; Y492-P869 HydrophobicContact CE2-CG 4.32Å; Y492-P869 HydrophobicContact CG-CG 3.65Å
493	K	96.8	Very high	96.7	Very high	185 Å²	185	48.2 Å²	48.2	80%	0.804	24%	0.243	S	C	*	.	H	α-helix	trans	-61.7	-45.4	-178.4	-70.2	-175.2	179.5	-179.5	0	112.3	D491 K497	D491-K493 PolarHBondContact O-N 3.25Å; D491-K493 VanDerWaalsContact O-N 3.12Å; K493-K497 WeakPolarHBondContact O-CB 3.47Å; K493-K497 PolarHBondContact O-N 3.28Å; K493-K497 VanDerWaalsContact O-N 3.08Å
494	H	97.7	Very high	96.7	Very high	126 Å²	126	50.3 Å²	50.3	58%	0.583	25%	0.252	S	S	*	.	H	α-helix	trans	-66.4	-45.2	178.6	179.9	78.2	0	0	0	110.4	D491 Y492 M496 K497 K498	D491-H494 PolarHBondContact O-N 2.85Å; Y492-H494 PolarHBondContact O-N 3.44Å; H494-M496 PolarHBondContact O-N 3.04Å; H494-K497 PolarHBondContact O-N 3.21Å; H494-K498 WeakPolarHBondContact O-CB 3.38Å; H494-K498 PolarHBondContact O-N 3.43Å
495	R	97	Very high	96.8	Very high	3 Å²	3	53.7 Å²	53.7	1%	0.011	27%	0.27	C	S	.	.	H	α-helix	trans	-56.8	-48.5	177.7	-165	-167.8	-52.9	160.2	-4.7	112.2	F476 A480 L483 D488 D491 Y492 K498 L499	F476-R495 HydrophobicContact CE1-CG 4.45Å; F476-R495 HydrophobicContact CZ-CG 4.01Å; A480-R495 HydrophobicContact CB-CG 4.03Å; L483-R495 VanDerWaalsContact CD1-CZ 3.47Å; D488-R495 PolarHBondContact O-NH1 3.45Å; D488-R495 PolarHBondContact O-NH2 2.9Å; D488-R495 IonicContact OD1-NH2 2.78Å; D491-R495 WeakPolarHBondContact O-CB 3.41Å; D491-R495 PolarHBondContact O-N 3.01Å; D491-R495 IonicContact OD1-CZ 2.69Å; D491-R495 IonicContact OD1-NE 3.63Å; D491-R495 PolarHBondContact OD1-NE 3.05Å; D491-R495 IonicContact OD1-NH2 3.89Å; D491-R495 PolarHBondContact OD1-NH2 3.1Å; D491-R495 IonicContact OD2-NE 3.67Å; Y492-R495 PolarHBondContact O-N 3.39Å; R495-K498 PolarHBondContact O-N 3.26Å; R495-L499 WeakPolarHBondContact O-CB 3.3Å; R495-L499 PolarHBondContact O-N 3.16Å
496	M	97.6	Very high	96.8	Very high	7 Å²	7	53.2 Å²	53.2	3%	0.034	27%	0.268	C	S	.	.	H	α-helix	trans	-65.2	-42.9	178	-68.9	-55	115.5	0	0	112	Y492 H494 K498 L499 V500 Y523 P524	Y492-M496 HydrophobicContact CD1-CG 4.05Å; Y492-M496 HydrophobicContact CD2-CE 4.28Å; Y492-M496 HydrophobicContact CD2-CG 4.32Å; Y492-M496 HydrophobicContact CE1-CG 3.68Å; Y492-M496 HydrophobicContact CE2-CE 4.01Å; Y492-M496 HydrophobicContact CE2-CG 3.98Å; Y492-M496 HydrophobicContact CE2-SD 4.25Å; Y492-M496 HydrophobicContact CG-CG 4.36Å; Y492-M496 WeakPolarHBondContact O-CB 3.37Å; Y492-M496 VanDerWaalsContact O-CG 3.31Å; Y492-M496 WeakPolarHBondContact O-CG 3.45Å; Y492-M496 PolarHBondContact O-N 2.99Å; H494-M496 PolarHBondContact O-N 3.04Å; M496-K498 VanDerWaalsContact C-N 3.31Å; M496-K498 PolarHBondContact O-N 2.83Å; M496-L499 PolarHBondContact O-N 3.4Å; M496-V500 VanDerWaalsContact O-CG2 3.3Å; M496-V500 WeakPolarHBondContact O-CG2 3.45Å; M496-V500 PolarHBondContact O-N 3.1Å; M496-Y523 HydrophobicContact CE-CD1 4.33Å; M496-Y523 HydrophobicContact CE-CE1 4.39Å; M496-Y523 HydrophobicContact SD-CD1 3.74Å; M496-Y523 HydrophobicContact SD-CE1 4.37Å; M496-P524 HydrophobicContact CB-CG 3.96Å; M496-P524 HydrophobicContact CG-CG 4.34Å
497	K	98	Very high	96.7	Very high	164 Å²	164	53.1 Å²	53.1	71%	0.713	27%	0.267	S	S	*	.	H	α-helix	trans	-58.6	-43.7	175.9	-173.5	180	-179.7	-178.9	0	111.5	K493 H494 S501	K493-K497 WeakPolarHBondContact O-CB 3.47Å; K493-K497 PolarHBondContact O-N 3.28Å; K493-K497 VanDerWaalsContact O-N 3.08Å; H494-K497 PolarHBondContact O-N 3.21Å; K497-S501 PolarHBondContact O-N 2.89Å
498	K	97.3	Very high	96.6	Very high	78 Å²	78	59.5 Å²	59.5	34%	0.339	30%	0.296	S	S	.	.	H	α-helix	trans	-66.7	-42.7	177.6	-176.5	167.5	173	179.2	0	112.2	F476 H494 R495 M496 S501 M502	F476-K498 HydrophobicContact CD2-CD 4.38Å; F476-K498 HydrophobicContact CE1-CB 4.07Å; F476-K498 HydrophobicContact CE1-CD 4.19Å; F476-K498 HydrophobicContact CE1-CG 3.87Å; F476-K498 HydrophobicContact CE2-CD 3.67Å; F476-K498 HydrophobicContact CE2-CG 4.27Å; F476-K498 HydrophobicContact CZ-CB 3.87Å; F476-K498 HydrophobicContact CZ-CD 3.56Å; F476-K498 HydrophobicContact CZ-CG 3.71Å; H494-K498 WeakPolarHBondContact O-CB 3.38Å; H494-K498 PolarHBondContact O-N 3.43Å; R495-K498 PolarHBondContact O-N 3.26Å; M496-K498 VanDerWaalsContact C-N 3.31Å; M496-K498 PolarHBondContact O-N 2.83Å; K498-S501 WeakPolarHBondContact O-CB 3.23Å; K498-S501 PolarHBondContact O-N 3.24Å; K498-M502 HydrophobicContact CD-CE 4.43Å; K498-M502 VanDerWaalsContact CE-CE 3.42Å; K498-M502 HydrophobicContact CG-CE 4.18Å; K498-M502 HydrophobicContact CG-SD 4.39Å; K498-M502 WeakPolarHBondContact O-CG 3.32Å; K498-M502 PolarHBondContact O-N 2.96Å
499	L	97.2	Very high	96.4	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.3	-47.1	175.3	-178.8	155.1	0	0	0	111.4	F476 A480 R495 M496 S501 M502 V503 V515 Y523	F476-L499 HydrophobicContact CE1-CB 4.21Å; A480-L499 HydrophobicContact CB-CD1 4.08Å; R495-L499 WeakPolarHBondContact O-CB 3.3Å; R495-L499 PolarHBondContact O-N 3.16Å; M496-L499 PolarHBondContact O-N 3.4Å; L499-S501 VanDerWaalsContact C-N 3.33Å; L499-S501 PolarHBondContact O-N 3.25Å; L499-M502 PolarHBondContact O-N 3.3Å; L499-V503 HydrophobicContact CD2-CG2 4.2Å; L499-V503 WeakPolarHBondContact O-CG2 3.42Å; L499-V503 PolarHBondContact O-N 3.32Å; L499-V515 HydrophobicContact CD1-CG2 4.36Å; L499-V515 HydrophobicContact CD2-CG2 4.02Å; L499-V515 HydrophobicContact CG-CG2 4.2Å; L499-Y523 HydrophobicContact CD1-CD1 4.29Å; L499-Y523 HydrophobicContact CD1-CD2 4.16Å; L499-Y523 HydrophobicContact CD1-CE1 4.24Å; L499-Y523 HydrophobicContact CD1-CE2 4.11Å; L499-Y523 HydrophobicContact CD1-CG 4.26Å; L499-Y523 HydrophobicContact CD2-CD2 4.08Å; L499-Y523 HydrophobicContact CD2-CG 4.11Å
500	V	97.9	Very high	95.9	Very high	32 Å²	32	64.9 Å²	64.9	19%	0.194	33%	0.332	C	S	.	.	H	α-helix	trans	-61.5	-42.2	178.1	173	0	0	0	0	111.1	M496 V503 Q504 P524 L525	M496-V500 VanDerWaalsContact O-CG2 3.3Å; M496-V500 WeakPolarHBondContact O-CG2 3.45Å; M496-V500 PolarHBondContact O-N 3.1Å; V500-V503 PolarHBondContact O-N 3.29Å; V500-Q504 WeakPolarHBondContact O-CB 3.32Å; V500-Q504 PolarHBondContact O-N 3.25Å; V500-P524 HydrophobicContact CG2-CG 4.15Å; V500-L525 HydrophobicContact CG1-CD2 4.45Å; V500-L525 HydrophobicContact CG2-CD2 4.01Å
501	S	97.5	Very high	95.7	Very high	61 Å²	61	66.2 Å²	66.2	43%	0.427	32%	0.322	S	S	.	.	H	α-helix	trans	-60.3	-48	175.1	-166.9	0	0	0	0	111.9	K497 K498 L499 V503 Q504 D505	K497-S501 PolarHBondContact O-N 2.89Å; K498-S501 WeakPolarHBondContact O-CB 3.23Å; K498-S501 PolarHBondContact O-N 3.24Å; L499-S501 VanDerWaalsContact C-N 3.33Å; L499-S501 PolarHBondContact O-N 3.25Å; S501-V503 VanDerWaalsContact C-N 3.34Å; S501-V503 PolarHBondContact O-N 2.88Å; S501-Q504 WeakPolarHBondContact O-CB 3.47Å; S501-Q504 PolarHBondContact O-N 3.11Å; S501-Q504 VanDerWaalsContact O-N 3.16Å; S501-D505 PolarHBondContact O-N 3.04Å
502	M	96.4	Very high	95.5	Very high	20 Å²	20	66.8 Å²	66.8	10%	0.099	32%	0.324	C	S	.	.	H	α-helix	trans	-60	-43.6	178.9	-74.2	174.8	164	0	0	112.3	P473 F476 K498 L499 Q504 D505 Q506	P473-M502 HydrophobicContact CB-SD 4.22Å; F476-M502 HydrophobicContact CB-CE 4.07Å; F476-M502 HydrophobicContact CB-SD 3.96Å; F476-M502 HydrophobicContact CD1-CE 4.13Å; F476-M502 HydrophobicContact CD1-SD 3.45Å; F476-M502 WeakPolarHBondContact CD1-SD 3.42Å; F476-M502 HydrophobicContact CD2-CE 4.48Å; F476-M502 HydrophobicContact CE1-SD 4.18Å; F476-M502 HydrophobicContact CG-CE 3.96Å; F476-M502 HydrophobicContact CG-SD 3.82Å; K498-M502 HydrophobicContact CD-CE 4.43Å; K498-M502 VanDerWaalsContact CE-CE 3.42Å; K498-M502 HydrophobicContact CG-CE 4.18Å; K498-M502 HydrophobicContact CG-SD 4.39Å; K498-M502 WeakPolarHBondContact O-CG 3.32Å; K498-M502 PolarHBondContact O-N 2.96Å; L499-M502 PolarHBondContact O-N 3.3Å; M502-Q504 VanDerWaalsContact C-N 3.34Å; M502-D505 PolarHBondContact O-N 3.49Å; M502-Q506 WeakPolarHBondContact O-CB 3.49Å; M502-Q506 VanDerWaalsContact O-CG 3.22Å; M502-Q506 WeakPolarHBondContact O-CG 3.3Å; M502-Q506 PolarHBondContact O-N 3.42Å
503	V	96.8	Very high	95.3	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62	-44.2	176.2	168.5	0	0	0	0	110.5	L499 V500 S501 Q506 L507 V515 L525 I533	L499-V503 HydrophobicContact CD2-CG2 4.2Å; L499-V503 WeakPolarHBondContact O-CG2 3.42Å; L499-V503 PolarHBondContact O-N 3.32Å; V500-V503 PolarHBondContact O-N 3.29Å; S501-V503 VanDerWaalsContact C-N 3.34Å; S501-V503 PolarHBondContact O-N 2.88Å; V503-Q506 PolarHBondContact O-N 3.2Å; V503-L507 HydrophobicContact CG1-CD1 3.88Å; V503-L507 HydrophobicContact CG1-CG 4.33Å; V503-L507 WeakPolarHBondContact O-CB 3.46Å; V503-L507 VanDerWaalsContact O-CG 3.25Å; V503-L507 WeakPolarHBondContact O-CG 3.39Å; V503-L507 PolarHBondContact O-N 3.09Å; V503-V515 HydrophobicContact CG2-CB 4.09Å; V503-V515 HydrophobicContact CG2-CG2 3.61Å; V503-L525 HydrophobicContact CB-CD2 4.28Å; V503-L525 HydrophobicContact CG1-CD2 3.99Å; V503-I533 HydrophobicContact CG1-CD1 3.88Å; V503-I533 HydrophobicContact CG1-CG1 4.21Å
504	Q	97.1	Very high	95.2	Very high	57 Å²	57	57.4 Å²	57.4	27%	0.266	29%	0.286	S	S	.	.	H	α-helix	trans	-59.9	-50.8	177.6	-173.4	63.2	26.5	0	0	111.2	V500 S501 M502 Q506 L507 E508	V500-Q504 WeakPolarHBondContact O-CB 3.32Å; V500-Q504 PolarHBondContact O-N 3.25Å; S501-Q504 WeakPolarHBondContact O-CB 3.47Å; S501-Q504 PolarHBondContact O-N 3.11Å; S501-Q504 VanDerWaalsContact O-N 3.16Å; M502-Q504 VanDerWaalsContact C-N 3.34Å; Q504-Q506 VanDerWaalsContact C-N 3.28Å; Q504-Q506 PolarHBondContact O-N 3.42Å; Q504-L507 PolarHBondContact O-N 3.45Å; Q504-L507 VanDerWaalsContact O-N 3.17Å; Q504-E508 WeakPolarHBondContact CG-OE1 3.07Å; Q504-E508 PolarHBondContact NE2-OE1 2.93Å; Q504-E508 WeakPolarHBondContact O-CG 3.4Å; Q504-E508 PolarHBondContact O-N 3.14Å
505	D	96.9	Very high	95.1	Very high	74 Å²	74	51.5 Å²	51.5	40%	0.396	26%	0.259	S	S	.	.	H	α-helix	trans	-60	-39.4	179.7	-60.9	-16.8	0	0	0	111.6	S501 M502 S509	S501-D505 PolarHBondContact O-N 3.04Å; M502-D505 PolarHBondContact O-N 3.49Å; D505-S509 WeakPolarHBondContact O-CB 3.47Å; D505-S509 PolarHBondContact O-N 2.87Å; D505-S509 PolarHBondContact O-OG 3.44Å
506	Q	96.1	Very high	94.9	Very high	7 Å²	7	54.5 Å²	54.5	3%	0.033	27%	0.273	C	S	.	.	H	α-helix	trans	-65.8	-44.9	176.4	-75.5	174.8	-37.3	0	0	112.1	M502 V503 Q504 S509 N510 R511 S514	M502-Q506 WeakPolarHBondContact O-CB 3.49Å; M502-Q506 VanDerWaalsContact O-CG 3.22Å; M502-Q506 WeakPolarHBondContact O-CG 3.3Å; M502-Q506 PolarHBondContact O-N 3.42Å; V503-Q506 PolarHBondContact O-N 3.2Å; Q504-Q506 VanDerWaalsContact C-N 3.28Å; Q504-Q506 PolarHBondContact O-N 3.42Å; Q506-S509 CarbonylContact O-C 3.37Å; Q506-S509 PolarHBondContact O-N 3.17Å; Q506-N510 PolarHBondContact O-N 2.99Å; Q506-R511 HydrophobicContact CB-CB 4.45Å; Q506-R511 PolarHBondContact O-N 3.13Å; Q506-S514 PolarHBondContact NE2-OG 3.16Å
507	L	95.2	Very high	94.9	Very high	20 Å²	20	54.2 Å²	54.2	11%	0.105	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-43.1	178	-73.2	176.2	0	0	0	111.8	V503 Q504 N510 P513 Q529 K532 I533 K536	V503-L507 HydrophobicContact CG1-CD1 3.88Å; V503-L507 HydrophobicContact CG1-CG 4.33Å; V503-L507 WeakPolarHBondContact O-CB 3.46Å; V503-L507 VanDerWaalsContact O-CG 3.25Å; V503-L507 WeakPolarHBondContact O-CG 3.39Å; V503-L507 PolarHBondContact O-N 3.09Å; Q504-L507 PolarHBondContact O-N 3.45Å; Q504-L507 VanDerWaalsContact O-N 3.17Å; L507-N510 PolarHBondContact O-N 3.37Å; L507-N510 VanDerWaalsContact O-N 3.16Å; L507-P513 HydrophobicContact CD2-CG 3.51Å; L507-P513 HydrophobicContact CG-CG 4.1Å; L507-Q529 HydrophobicContact CD1-CB 4.34Å; L507-Q529 HydrophobicContact CD1-CG 4.22Å; L507-K532 HydrophobicContact CD1-CB 4.02Å; L507-K532 HydrophobicContact CD1-CD 4.47Å; L507-K532 HydrophobicContact CD2-CB 3.76Å; L507-K532 HydrophobicContact CG-CB 4.5Å; L507-I533 HydrophobicContact CD1-CG1 4.5Å; L507-K536 HydrophobicContact CD2-CG 4.17Å
508	E	95.7	Very high	94.6	Very high	136 Å²	136	48.9 Å²	48.9	64%	0.636	25%	0.249	S	C	*	.	H	α-helix	trans	-66	-37.4	175.8	-72.3	176.9	-176.6	0	0	112.1	Q504 N510	Q504-E508 WeakPolarHBondContact CG-OE1 3.07Å; Q504-E508 PolarHBondContact NE2-OE1 2.93Å; Q504-E508 WeakPolarHBondContact O-CG 3.4Å; Q504-E508 PolarHBondContact O-N 3.14Å; E508-N510 PolarHBondContact O-N 3.17Å
509	S	91.5	Very high	94.4	Very high	69 Å²	69	47.1 Å²	47.1	48%	0.483	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	9.3	174.4	-54.5	0	0	0	0	113.5	D505 Q506 R511	D505-S509 WeakPolarHBondContact O-CB 3.47Å; D505-S509 PolarHBondContact O-N 2.87Å; D505-S509 PolarHBondContact O-OG 3.44Å; Q506-S509 CarbonylContact O-C 3.37Å; Q506-S509 PolarHBondContact O-N 3.17Å; S509-R511 PolarHBondContact O-N 3.03Å
510	N	87	Confident	94.3	Very high	123 Å²	123	47.3 Å²	47.3	66%	0.658	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	17.2	-179.2	-157	52.9	0	0	0	114.8	Q506 L507 E508 K536	Q506-N510 PolarHBondContact O-N 2.99Å; L507-N510 PolarHBondContact O-N 3.37Å; L507-N510 VanDerWaalsContact O-N 3.16Å; E508-N510 PolarHBondContact O-N 3.17Å; N510-K536 PolarHBondContact O-NZ 3.35Å; N510-K536 VanDerWaalsContact O-NZ 3.15Å; N510-K536 PolarHBondContact OD1-NZ 2.91Å
511	R	88	Confident	93.9	Very high	129 Å²	129	46.4 Å²	46.4	49%	0.487	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-85.2	157	-178.1	-67	-173.5	-69.7	175	-2.8	111.7	Q506 S509 P513	Q506-R511 HydrophobicContact CB-CB 4.45Å; Q506-R511 PolarHBondContact O-N 3.13Å; S509-R511 PolarHBondContact O-N 3.03Å; R511-P513 WeakPolarHBondContact O-CD 3.44Å
512	L	89.9	Confident	93.6	Very high	81 Å²	81	43.9 Å²	43.9	42%	0.424	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-64.3	123.2	169	-173.4	66.7	0	0	0	109	K536 L540	L512-K536 HydrophobicContact CD1-CB 4.03Å; L512-L540 HydrophobicContact CD2-CD2 4.03Å
513	P	94.2	Very high	93.6	Very high	6 Å²	6	43.1 Å²	43.1	4%	0.039	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-66.7	144.7	-179.8	-25.5	37.9	0	0	0	112.6	L507 R511 V515 I533 K536	L507-P513 HydrophobicContact CD2-CG 3.51Å; L507-P513 HydrophobicContact CG-CG 4.1Å; R511-P513 WeakPolarHBondContact O-CD 3.44Å; P513-V515 PolarHBondContact O-N 2.98Å; P513-I533 HydrophobicContact CB-CG1 4.03Å; P513-I533 HydrophobicContact CG-CG1 3.93Å; P513-K536 HydrophobicContact CG-CG 4.47Å
514	S	93.9	Very high	93.5	Very high	13 Å²	13	46.8 Å²	46.8	9%	0.091	24%	0.239	C	C	.	.	S	Bend	trans	-69	-13.9	175.7	-64.9	0	0	0	0	113.6	P473 D474 Q506	P473-S514 WeakPolarHBondContact CB-OG 3.39Å; D474-S514 PolarHBondContact N-OG 3.17Å; D474-S514 VanDerWaalsContact OD1-CB 3.24Å; D474-S514 WeakPolarHBondContact OD1-CB 3.35Å; D474-S514 PolarHBondContact OD1-OG 2.87Å; Q506-S514 PolarHBondContact NE2-OG 3.16Å
515	V	95.2	Very high	93.4	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.012	23%	0.229	C	C	.	.	S	Bend	trans	-96.3	117.2	178.2	173.3	0	0	0	0	109.7	C477 L499 V503 P513 H519 Y523 I533	C477-V515 HydrophobicContact CB-CG2 4.15Å; L499-V515 HydrophobicContact CD1-CG2 4.36Å; L499-V515 HydrophobicContact CD2-CG2 4.02Å; L499-V515 HydrophobicContact CG-CG2 4.2Å; V503-V515 HydrophobicContact CG2-CB 4.09Å; V503-V515 HydrophobicContact CG2-CG2 3.61Å; P513-V515 PolarHBondContact O-N 2.98Å; V515-H519 HydrophobicContact CG1-CB 4.46Å; V515-Y523 HydrophobicContact CG1-CD2 3.79Å; V515-Y523 HydrophobicContact CG1-CE2 3.87Å; V515-Y523 HydrophobicContact CG2-CD2 4.41Å; V515-Y523 HydrophobicContact CG2-CE2 4.36Å; V515-I533 WeakPolarHBondContact O-CG2 3.22Å
516	H	93.6	Very high	93.4	Very high	66 Å²	66	44.8 Å²	44.8	31%	0.306	23%	0.233	S	C	.	.			trans	-64.1	144.7	173.8	-163	-102.8	0	0	0	111.9	H518 H519 S520 H537 Y651	H516-H518 PolarHBondContact ND1-N 3.43Å; H516-H518 PolarHBondContact O-N 2.96Å; H516-H518 VanDerWaalsContact O-N 3.11Å; H516-H519 PolarHBondContact O-N 3.25Å; H516-S520 PolarHBondContact O-N 2.91Å; H516-S520 VanDerWaalsContact O-N 3.09Å; H516-H537 AromaticContact CD2-CE1 3.59Å; H516-Y651 PolarHBondContact CE1-O 2.85Å
517	P	96.6	Very high	93.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-37.8	-179.8	-26.2	30.2	0	0	0	113.5	S520 I533 H537 Y651 Y674	P517-S520 WeakPolarHBondContact O-CB 3.23Å; P517-S520 PolarHBondContact O-N 3.5Å; P517-S520 PolarHBondContact O-OG 3.35Å; P517-I533 HydrophobicContact CB-CG2 4.36Å; P517-I533 HydrophobicContact CG-CG2 3.93Å; P517-H537 VanDerWaalsContact CD-CD2 3.5Å; P517-H537 WeakPolarHBondContact CD-CD2 3.4Å; P517-H537 WeakPolarHBondContact CD-NE2 3.38Å; P517-H537 HydrophobicContact CG-CB 4.12Å; P517-Y651 HydrophobicContact CB-CD1 4.38Å; P517-Y651 HydrophobicContact CB-CD2 3.47Å; P517-Y651 VanDerWaalsContact CB-CD2 3.47Å; P517-Y651 HydrophobicContact CB-CE2 4.03Å; P517-Y651 HydrophobicContact CB-CG 3.66Å; P517-Y651 HydrophobicContact CG-CD1 3.91Å; P517-Y651 HydrophobicContact CG-CD2 3.74Å; P517-Y651 HydrophobicContact CG-CE1 4.16Å; P517-Y651 HydrophobicContact CG-CE2 3.96Å; P517-Y651 HydrophobicContact CG-CG 3.7Å; P517-Y674 WeakPolarHBondContact CB-OH 3.24Å; P517-Y674 PolarHBondContact O-OH 3.08Å
518	H	92.4	Very high	93.5	Very high	53 Å²	53	48.7 Å²	48.7	25%	0.245	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-36.8	176.4	-177.3	-123.9	0	0	0	113.6	H516 M521 Y651 Y674	H516-H518 PolarHBondContact ND1-N 3.43Å; H516-H518 PolarHBondContact O-N 2.96Å; H516-H518 VanDerWaalsContact O-N 3.11Å; H518-M521 WeakPolarHBondContact O-CE 3.5Å; H518-M521 WeakPolarHBondContact O-CG 3.42Å; H518-Y651 WeakPolarHBondContact CB-O 3.44Å; H518-Y674 HydrophobicContact CB-CE2 4.22Å
519	H	92.7	Very high	93.6	Very high	41 Å²	41	42.9 Å²	42.9	19%	0.19	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-78	-24.7	177.8	-56.5	148.9	0	0	0	112.2	H481 V515 H516 M521 L522 Y523	H481-H519 AromaticContact CE1-CD2 3.47Å; H481-H519 PolarHBondContact CE1-CD2 3.41Å; H481-H519 VanDerWaalsContact CE1-CD2 3.47Å; H481-H519 AromaticContact CE1-CG 3.89Å; H481-H519 AromaticContact CE1-NE2 3.63Å; H481-H519 AromaticContact ND1-CD2 3.91Å; H481-H519 AromaticContact ND1-CG 3.86Å; H481-H519 AromaticContact NE2-NE2 3.88Å; V515-H519 HydrophobicContact CG1-CB 4.46Å; H516-H519 PolarHBondContact O-N 3.25Å; H519-M521 PolarHBondContact O-N 3.27Å; H519-L522 PolarHBondContact O-N 3.27Å; H519-Y523 HydrophobicContact CB-CE2 3.82Å; H519-Y523 WeakPolarHBondContact O-CD2 3.44Å; H519-Y523 WeakPolarHBondContact O-CE2 3.39Å
520	S	95	Very high	93.9	Very high	4 Å²	4	41.5 Å²	41.5	3%	0.028	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-58.1	-22.6	-177.4	80.8	0	0	0	0	114.5	H516 P517 L522 Y523 R530	H516-S520 PolarHBondContact O-N 2.91Å; H516-S520 VanDerWaalsContact O-N 3.09Å; P517-S520 WeakPolarHBondContact O-CB 3.23Å; P517-S520 PolarHBondContact O-N 3.5Å; P517-S520 PolarHBondContact O-OG 3.35Å; S520-L522 VanDerWaalsContact C-N 3.26Å; S520-L522 PolarHBondContact O-N 3.27Å; S520-Y523 PolarHBondContact O-N 3.03Å; S520-R530 PolarHBondContact O-NE 3.01Å
521	M	90.3	Very high	94.4	Very high	13 Å²	13	38.7 Å²	38.7	6%	0.064	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-69	-23.5	176.9	70.6	-174.5	61.7	0	0	113.3	H518 H519 Y674 P675 C943 A968	H518-M521 WeakPolarHBondContact O-CE 3.5Å; H518-M521 WeakPolarHBondContact O-CG 3.42Å; H519-M521 PolarHBondContact O-N 3.27Å; M521-Y674 HydrophobicContact CE-CE2 4.04Å; M521-P675 HydrophobicContact CE-CG 3.85Å; M521-P675 HydrophobicContact SD-CG 4.38Å; M521-C943 HydrophobicContact SD-CB 4.3Å; M521-A968 HydrophobicContact CB-CB 4.26Å; M521-A968 HydrophobicContact SD-CB 3.97Å
522	L	92.1	Very high	94.9	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.037	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-88.4	-9.2	-179.2	-59	171.9	0	0	0	113	H519 S520 Y865 C943	H519-L522 PolarHBondContact O-N 3.27Å; S520-L522 VanDerWaalsContact C-N 3.26Å; S520-L522 PolarHBondContact O-N 3.27Å; L522-Y865 HydrophobicContact CD1-CD2 3.5Å; L522-Y865 HydrophobicContact CD1-CE2 3.7Å; L522-Y865 HydrophobicContact CD2-CD2 4.32Å; L522-Y865 HydrophobicContact CD2-CE2 4.32Å; L522-C943 HydrophobicContact CD2-CB 4.02Å
523	Y	94.9	Very high	95.3	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.016	17%	0.169	C	C	.	.	S	Bend	trans	-108.4	151.6	-174	-55.6	-42.6	0	0	0	111.2	H481 M496 L499 V515 H519 S520 L525 R530	H481-Y523 WeakPolarHBondContact CB-OH 3.38Å; H481-Y523 PolarHBondContact ND1-OH 3.47Å; M496-Y523 HydrophobicContact CE-CD1 4.33Å; M496-Y523 HydrophobicContact CE-CE1 4.39Å; M496-Y523 HydrophobicContact SD-CD1 3.74Å; M496-Y523 HydrophobicContact SD-CE1 4.37Å; L499-Y523 HydrophobicContact CD1-CD1 4.29Å; L499-Y523 HydrophobicContact CD1-CD2 4.16Å; L499-Y523 HydrophobicContact CD1-CE1 4.24Å; L499-Y523 HydrophobicContact CD1-CE2 4.11Å; L499-Y523 HydrophobicContact CD1-CG 4.26Å; L499-Y523 HydrophobicContact CD2-CD2 4.08Å; L499-Y523 HydrophobicContact CD2-CG 4.11Å; V515-Y523 HydrophobicContact CG1-CD2 3.79Å; V515-Y523 HydrophobicContact CG1-CE2 3.87Å; V515-Y523 HydrophobicContact CG2-CD2 4.41Å; V515-Y523 HydrophobicContact CG2-CE2 4.36Å; H519-Y523 HydrophobicContact CB-CE2 3.82Å; H519-Y523 WeakPolarHBondContact O-CD2 3.44Å; H519-Y523 WeakPolarHBondContact O-CE2 3.39Å; S520-Y523 PolarHBondContact O-N 3.03Å; Y523-L525 PolarHBondContact O-N 2.96Å; Y523-R530 PolarHBondContact O-NH2 3.06Å
524	P	94.4	Very high	95.5	Very high	77 Å²	77	33.1 Å²	33.1	50%	0.5	17%	0.167	S	C	.	.			trans	-77.5	55.9	-178	33.9	-36.8	0	0	0	111.8	M496 V500	M496-P524 HydrophobicContact CB-CG 3.96Å; M496-P524 HydrophobicContact CG-CG 4.34Å; V500-P524 HydrophobicContact CG2-CG 4.15Å
525	L	96	Very high	95.7	Very high	11 Å²	11	33.2 Å²	33.2	6%	0.058	17%	0.17	C	C	.	.			trans	-87.5	157.1	175.2	-65.2	166.5	0	0	0	110.3	V500 V503 Y523 Q529 R530 I533	V500-L525 HydrophobicContact CG1-CD2 4.45Å; V500-L525 HydrophobicContact CG2-CD2 4.01Å; V503-L525 HydrophobicContact CB-CD2 4.28Å; V503-L525 HydrophobicContact CG1-CD2 3.99Å; Y523-L525 PolarHBondContact O-N 2.96Å; L525-Q529 HydrophobicContact CB-CB 4.21Å; L525-Q529 HydrophobicContact CD2-CB 4.32Å; L525-R530 HydrophobicContact CB-CG 4.04Å; L525-R530 HydrophobicContact CD1-CG 4.49Å; L525-R530 PolarHBondContact O-NH1 3.14Å; L525-R530 PolarHBondContact O-NH2 3.29Å; L525-I533 HydrophobicContact CD1-CD1 3.72Å
526	T	96.6	Very high	95.7	Very high	78 Å²	78	35.1 Å²	35.1	48%	0.479	18%	0.179	S	C	.	.			trans	-78.1	166.2	171.5	66.5	0	0	0	0	111.2	D528 Q529 R530	T526-D528 VanDerWaalsContact C-N 3.32Å; T526-Q529 PolarHBondContact O-N 3.41Å; T526-Q529 WeakPolarHBondContact OG1-CB 3.19Å; T526-Q529 VanDerWaalsContact OG1-CG 3.29Å; T526-Q529 WeakPolarHBondContact OG1-CG 3.49Å; T526-Q529 PolarHBondContact OG1-N 2.92Å; T526-Q529 VanDerWaalsContact OG1-N 3.16Å; T526-Q529 PolarHBondContact OG1-OE1 2.85Å; T526-R530 PolarHBondContact O-N 3.16Å; T526-R530 VanDerWaalsContact O-N 3.08Å; T526-R530 PolarHBondContact O-NH1 2.93Å
527	H	96.8	Very high	95.8	Very high	30 Å²	30	33.2 Å²	33.2	14%	0.139	17%	0.17	C	C	.	.	H	α-helix	trans	-59.7	-43.8	172.6	-68.8	-52.9	0	0	0	112.2	Q529 R530 K531 H699 Q700 E965	H527-Q529 VanDerWaalsContact C-N 3.34Å; H527-Q529 PolarHBondContact O-N 3.26Å; H527-R530 PolarHBondContact O-N 2.95Å; H527-K531 WeakPolarHBondContact O-CB 3.43Å; H527-K531 PolarHBondContact O-N 3.43Å; H527-H699 AromaticContact CD2-NE2 3.82Å; H527-Q700 HydrophobicContact CB-CB 3.68Å; H527-Q700 PolarHBondContact CE1-OE1 2.87Å; H527-Q700 PolarHBondContact ND1-OE1 3.12Å; H527-E965 PolarHBondContact CE1-O 2.97Å; H527-E965 VanDerWaalsContact CE1-O 3.31Å; H527-E965 WeakPolarHBondContact NE2-CB 3.5Å
528	D	96.7	Very high	95.9	Very high	80 Å²	80	33.3 Å²	33.3	43%	0.428	17%	0.171	S	C	.	.	H	α-helix	trans	-59.5	-44.7	177.6	179.8	64.9	0	0	0	111.5	T526 R530 K531 K532	T526-D528 VanDerWaalsContact C-N 3.32Å; D528-R530 PolarHBondContact O-N 3.36Å; D528-K531 PolarHBondContact O-N 3.17Å; D528-K532 WeakPolarHBondContact O-CB 3.5Å; D528-K532 VanDerWaalsContact O-CG 3.31Å; D528-K532 WeakPolarHBondContact O-CG 3.25Å; D528-K532 PolarHBondContact O-N 2.59Å; D528-K532 VanDerWaalsContact OD1-CE 3.28Å; D528-K532 WeakPolarHBondContact OD1-CE 3.43Å; D528-K532 IonicContact OD1-NZ 2.81Å; D528-K532 WeakPolarHBondContact OD2-CD 3.22Å; D528-K532 WeakPolarHBondContact OD2-CE 3.32Å; D528-K532 IonicContact OD2-NZ 3.28Å; D528-K532 PolarHBondContact OD2-NZ 3.36Å
529	Q	97.5	Very high	96	Very high	13 Å²	13	33.2 Å²	33.2	6%	0.061	18%	0.176	C	C	.	.	H	α-helix	trans	-61	-46.9	175.8	-75.4	171.8	-29.4	0	0	112.2	L507 L525 T526 H527 K531 K532 I533	L507-Q529 HydrophobicContact CD1-CB 4.34Å; L507-Q529 HydrophobicContact CD1-CG 4.22Å; L525-Q529 HydrophobicContact CB-CB 4.21Å; L525-Q529 HydrophobicContact CD2-CB 4.32Å; T526-Q529 PolarHBondContact O-N 3.41Å; T526-Q529 WeakPolarHBondContact OG1-CB 3.19Å; T526-Q529 VanDerWaalsContact OG1-CG 3.29Å; T526-Q529 WeakPolarHBondContact OG1-CG 3.49Å; T526-Q529 PolarHBondContact OG1-N 2.92Å; T526-Q529 VanDerWaalsContact OG1-N 3.16Å; T526-Q529 PolarHBondContact OG1-OE1 2.85Å; H527-Q529 VanDerWaalsContact C-N 3.34Å; H527-Q529 PolarHBondContact O-N 3.26Å; Q529-K531 PolarHBondContact O-N 3.2Å; Q529-K532 PolarHBondContact O-N 3.03Å; Q529-I533 VanDerWaalsContact O-CG1 3.24Å; Q529-I533 WeakPolarHBondContact O-CG1 3.45Å; Q529-I533 PolarHBondContact O-N 3.33Å
530	R	97.7	Very high	96	Very high	41 Å²	41	34 Å²	34	16%	0.155	18%	0.181	C	C	.	.	H	α-helix	trans	-62.7	-42.1	178.1	-67.8	-170	-166.5	82.9	1.9	112.1	S520 Y523 L525 T526 H527 D528 I533 A534	S520-R530 PolarHBondContact O-NE 3.01Å; Y523-R530 PolarHBondContact O-NH2 3.06Å; L525-R530 HydrophobicContact CB-CG 4.04Å; L525-R530 HydrophobicContact CD1-CG 4.49Å; L525-R530 PolarHBondContact O-NH1 3.14Å; L525-R530 PolarHBondContact O-NH2 3.29Å; T526-R530 PolarHBondContact O-N 3.16Å; T526-R530 VanDerWaalsContact O-N 3.08Å; T526-R530 PolarHBondContact O-NH1 2.93Å; H527-R530 PolarHBondContact O-N 2.95Å; D528-R530 PolarHBondContact O-N 3.36Å; R530-I533 PolarHBondContact O-N 2.99Å; R530-A534 PolarHBondContact O-N 2.93Å
531	K	98	Very high	95.9	Very high	64 Å²	64	34.2 Å²	34.2	28%	0.278	18%	0.183	S	C	.	.	H	α-helix	trans	-63	-42.4	176.6	-173.9	176.8	-175.3	170.3	0	111.6	H527 D528 Q529 A534 G535 T677 H699 Y701	H527-K531 WeakPolarHBondContact O-CB 3.43Å; H527-K531 PolarHBondContact O-N 3.43Å; D528-K531 PolarHBondContact O-N 3.17Å; Q529-K531 PolarHBondContact O-N 3.2Å; K531-A534 PolarHBondContact O-N 3.27Å; K531-G535 PolarHBondContact O-N 3.39Å; K531-T677 HydrophobicContact CB-CG2 4.44Å; K531-T677 HydrophobicContact CG-CG2 4.44Å; K531-H699 PolarHBondContact NZ-O 2.9Å; K531-Y701 VanDerWaalsContact CE-O 3.32Å; K531-Y701 WeakPolarHBondContact CE-O 3.25Å; K531-Y701 PolarHBondContact NZ-O 3.01Å
532	K	98.1	Very high	96.1	Very high	97 Å²	97	36.6 Å²	36.6	42%	0.422	20%	0.195	S	C	.	.	H	α-helix	trans	-68	-38.4	175.9	-74.2	174.1	175	166	0	112.8	L507 D528 Q529 G535 K536	L507-K532 HydrophobicContact CD1-CB 4.02Å; L507-K532 HydrophobicContact CD1-CD 4.47Å; L507-K532 HydrophobicContact CD2-CB 3.76Å; L507-K532 HydrophobicContact CG-CB 4.5Å; D528-K532 WeakPolarHBondContact O-CB 3.5Å; D528-K532 VanDerWaalsContact O-CG 3.31Å; D528-K532 WeakPolarHBondContact O-CG 3.25Å; D528-K532 PolarHBondContact O-N 2.59Å; D528-K532 VanDerWaalsContact OD1-CE 3.28Å; D528-K532 WeakPolarHBondContact OD1-CE 3.43Å; D528-K532 IonicContact OD1-NZ 2.81Å; D528-K532 WeakPolarHBondContact OD2-CD 3.22Å; D528-K532 WeakPolarHBondContact OD2-CE 3.32Å; D528-K532 IonicContact OD2-NZ 3.28Å; D528-K532 PolarHBondContact OD2-NZ 3.36Å; Q529-K532 PolarHBondContact O-N 3.03Å; K532-G535 PolarHBondContact O-N 3.35Å; K532-K536 WeakPolarHBondContact O-CG 3.45Å; K532-K536 PolarHBondContact O-N 3.22Å
533	I	98.2	Very high	95.9	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-57.7	-54.1	172	-70.7	161.6	0	0	0	109.7	V503 L507 P513 V515 P517 L525 Q529 R530 G535 K536 H537	V503-I533 HydrophobicContact CG1-CD1 3.88Å; V503-I533 HydrophobicContact CG1-CG1 4.21Å; L507-I533 HydrophobicContact CD1-CG1 4.5Å; P513-I533 HydrophobicContact CB-CG1 4.03Å; P513-I533 HydrophobicContact CG-CG1 3.93Å; V515-I533 WeakPolarHBondContact O-CG2 3.22Å; P517-I533 HydrophobicContact CB-CG2 4.36Å; P517-I533 HydrophobicContact CG-CG2 3.93Å; L525-I533 HydrophobicContact CD1-CD1 3.72Å; Q529-I533 VanDerWaalsContact O-CG1 3.24Å; Q529-I533 WeakPolarHBondContact O-CG1 3.45Å; Q529-I533 PolarHBondContact O-N 3.33Å; R530-I533 PolarHBondContact O-N 2.99Å; I533-G535 VanDerWaalsContact C-N 3.31Å; I533-G535 PolarHBondContact O-N 3.28Å; I533-K536 PolarHBondContact O-N 3.46Å; I533-H537 PolarHBondContact O-CD2 3.13Å; I533-H537 VanDerWaalsContact O-CD2 3.31Å; I533-H537 PolarHBondContact O-N 3.46Å
534	A	98.2	Very high	95.4	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.008	24%	0.236	C	C	.	.	H	α-helix	trans	-56.5	-46.3	176	0	0	0	0	0	111.5	R530 K531 K536 H537 A538 Y651 T677	R530-A534 PolarHBondContact O-N 2.93Å; K531-A534 PolarHBondContact O-N 3.27Å; A534-K536 VanDerWaalsContact C-N 3.3Å; A534-K536 PolarHBondContact O-N 3.1Å; A534-H537 PolarHBondContact O-N 3.35Å; A534-H537 VanDerWaalsContact O-N 3.08Å; A534-A538 PolarHBondContact O-N 2.99Å; A534-Y651 HydrophobicContact CB-CE2 3.9Å; A534-Y651 PolarHBondContact O-OH 2.91Å; A534-T677 HydrophobicContact CB-CG2 4.02Å; A534-T677 WeakPolarHBondContact CB-O 3.48Å
535	G	97.9	Very high	95.2	Very high	15 Å²	15	42.5 Å²	42.5	16%	0.155	22%	0.216	C	C	.	.	H	α-helix	trans	-57.9	-38.4	177.6	0	0	0	0	0	113.7	K531 K532 I533 A538 S539 G679	K531-G535 PolarHBondContact O-N 3.39Å; K532-G535 PolarHBondContact O-N 3.35Å; I533-G535 VanDerWaalsContact C-N 3.31Å; I533-G535 PolarHBondContact O-N 3.28Å; G535-A538 PolarHBondContact O-N 2.87Å; G535-S539 WeakPolarHBondContact O-CB 3.41Å; G535-S539 PolarHBondContact O-N 3.42Å; G535-S539 PolarHBondContact O-OG 2.91Å; G535-S539 VanDerWaalsContact O-OG 3.09Å; G535-G679 VanDerWaalsContact CA-O 3.24Å; G535-G679 WeakPolarHBondContact CA-O 3.06Å
536	K	96.5	Very high	94.8	Very high	42 Å²	42	45.4 Å²	45.4	18%	0.183	24%	0.237	C	C	.	.	H	α-helix	trans	-66.2	-40.9	174.9	-73.4	-68.7	178.7	-171.9	0	113	L507 N510 L512 P513 K532 I533 A534 A538 S539 L540	L507-K536 HydrophobicContact CD2-CG 4.17Å; N510-K536 PolarHBondContact O-NZ 3.35Å; N510-K536 VanDerWaalsContact O-NZ 3.15Å; N510-K536 PolarHBondContact OD1-NZ 2.91Å; L512-K536 HydrophobicContact CD1-CB 4.03Å; P513-K536 HydrophobicContact CG-CG 4.47Å; K532-K536 WeakPolarHBondContact O-CG 3.45Å; K532-K536 PolarHBondContact O-N 3.22Å; I533-K536 PolarHBondContact O-N 3.46Å; A534-K536 VanDerWaalsContact C-N 3.3Å; A534-K536 PolarHBondContact O-N 3.1Å; K536-A538 VanDerWaalsContact C-N 3.34Å; K536-S539 PolarHBondContact O-N 3.17Å; K536-L540 PolarHBondContact O-N 3.02Å
537	H	96.1	Very high	94.1	Very high	27 Å²	27	44.3 Å²	44.3	13%	0.125	23%	0.228	C	C	.	.	H	α-helix	trans	-66.8	-36.6	173.9	-79.3	-98.5	0	0	0	111.9	H516 P517 I533 A534 L540 C541 Y651	H516-H537 AromaticContact CD2-CE1 3.59Å; P517-H537 VanDerWaalsContact CD-CD2 3.5Å; P517-H537 WeakPolarHBondContact CD-CD2 3.4Å; P517-H537 WeakPolarHBondContact CD-NE2 3.38Å; P517-H537 HydrophobicContact CG-CB 4.12Å; I533-H537 PolarHBondContact O-CD2 3.13Å; I533-H537 VanDerWaalsContact O-CD2 3.31Å; I533-H537 PolarHBondContact O-N 3.46Å; A534-H537 PolarHBondContact O-N 3.35Å; A534-H537 VanDerWaalsContact O-N 3.08Å; H537-L540 PolarHBondContact O-N 2.78Å; H537-C541 PolarHBondContact O-N 3.41Å; H537-C541 PolarHBondContact O-SG 3.42Å; H537-Y651 HydrophobicContact CB-CD1 4.43Å; H537-Y651 HydrophobicContact CB-CE1 3.57Å
538	A	97.6	Very high	93.4	Very high	2 Å²	2	46.3 Å²	46.3	2%	0.017	24%	0.239	C	C	.	.	H	α-helix	trans	-66.2	-41.5	173.2	0	0	0	0	0	112.6	A534 G535 K536 L540 C541 L542 Y651 S680 F682	A534-A538 PolarHBondContact O-N 2.99Å; G535-A538 PolarHBondContact O-N 2.87Å; K536-A538 VanDerWaalsContact C-N 3.34Å; A538-L540 VanDerWaalsContact C-N 3.31Å; A538-L540 PolarHBondContact O-N 3.01Å; A538-C541 WeakPolarHBondContact O-CB 3.33Å; A538-C541 PolarHBondContact O-N 3.33Å; A538-C541 VanDerWaalsContact O-N 3.17Å; A538-L542 PolarHBondContact O-N 2.87Å; A538-Y651 PolarHBondContact N-OH 3.05Å; A538-S680 VanDerWaalsContact CB-CB 3.47Å; A538-F682 HydrophobicContact CB-CE1 4.09Å; A538-F682 HydrophobicContact CB-CZ 4.2Å
539	S	95.4	Very high	92.6	Very high	50 Å²	50	48.3 Å²	48.3	35%	0.35	25%	0.246	S	C	.	.	H	α-helix	trans	-59.8	-41.1	173.7	-67.2	0	0	0	0	111.8	G535 K536 C541 L542 E543	G535-S539 WeakPolarHBondContact O-CB 3.41Å; G535-S539 PolarHBondContact O-N 3.42Å; G535-S539 PolarHBondContact O-OG 2.91Å; G535-S539 VanDerWaalsContact O-OG 3.09Å; K536-S539 PolarHBondContact O-N 3.17Å; S539-C541 VanDerWaalsContact C-N 3.31Å; S539-C541 PolarHBondContact O-N 3.18Å; S539-L542 WeakPolarHBondContact O-CA 3.38Å; S539-L542 WeakPolarHBondContact O-CB 3.4Å; S539-L542 PolarHBondContact O-N 3.28Å; S539-L542 VanDerWaalsContact O-N 3.08Å; S539-E543 WeakPolarHBondContact O-CG 3.49Å; S539-E543 PolarHBondContact O-N 3.08Å
540	L	91.6	Very high	92.2	Very high	57 Å²	57	50.2 Å²	50.2	30%	0.298	26%	0.255	S	S	.	.	H	α-helix	trans	-60.3	-40.3	174.6	-179.4	63.9	0	0	0	111.9	L512 K536 H537 A538 L542 E543 K544	L512-L540 HydrophobicContact CD2-CD2 4.03Å; K536-L540 PolarHBondContact O-N 3.02Å; H537-L540 PolarHBondContact O-N 2.78Å; A538-L540 VanDerWaalsContact C-N 3.31Å; A538-L540 PolarHBondContact O-N 3.01Å; L540-L542 VanDerWaalsContact C-N 3.34Å; L540-E543 PolarHBondContact O-N 3.18Å; L540-K544 WeakPolarHBondContact O-CG 3.47Å; L540-K544 PolarHBondContact O-N 2.89Å
541	C	93.4	Very high	91.8	Very high	10 Å²	10	55.6 Å²	55.6	7%	0.068	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-41.4	173.4	-64.6	0	0	0	0	111.6	H537 A538 S539 K544 V545 E658 A661	H537-C541 PolarHBondContact O-N 3.41Å; H537-C541 PolarHBondContact O-SG 3.42Å; A538-C541 WeakPolarHBondContact O-CB 3.33Å; A538-C541 PolarHBondContact O-N 3.33Å; A538-C541 VanDerWaalsContact O-N 3.17Å; S539-C541 VanDerWaalsContact C-N 3.31Å; S539-C541 PolarHBondContact O-N 3.18Å; C541-K544 PolarHBondContact O-N 3.35Å; C541-V545 WeakPolarHBondContact O-CG1 3.4Å; C541-V545 WeakPolarHBondContact O-CG2 3.43Å; C541-V545 PolarHBondContact O-N 3.13Å; C541-E658 HydrophobicContact CB-CG 4.22Å; C541-A661 HydrophobicContact CB-CB 4.3Å
542	L	93.8	Very high	91.6	Very high	63 Å²	63	57.5 Å²	57.5	33%	0.33	30%	0.3	S	S	.	.	H	α-helix	trans	-62.3	-43	176.1	-73.3	167.4	0	0	0	112.3	A538 S539 L540 V545 S546 A661 F682	A538-L542 PolarHBondContact O-N 2.87Å; S539-L542 WeakPolarHBondContact O-CA 3.38Å; S539-L542 WeakPolarHBondContact O-CB 3.4Å; S539-L542 PolarHBondContact O-N 3.28Å; S539-L542 VanDerWaalsContact O-N 3.08Å; L540-L542 VanDerWaalsContact C-N 3.34Å; L542-V545 WeakPolarHBondContact O-CG2 3.43Å; L542-V545 PolarHBondContact O-N 3.43Å; L542-S546 WeakPolarHBondContact O-CB 3.32Å; L542-S546 PolarHBondContact O-N 3.37Å; L542-A661 HydrophobicContact CD2-CB 4.15Å; L542-F682 HydrophobicContact CD1-CD1 4.39Å; L542-F682 HydrophobicContact CD1-CE1 4.48Å; L542-F682 HydrophobicContact CD2-CD1 4.02Å; L542-F682 HydrophobicContact CD2-CE1 4.37Å; L542-F682 HydrophobicContact CG-CD1 4.16Å; L542-F682 HydrophobicContact CG-CE1 4.09Å
543	E	87.7	Confident	91.6	Very high	121 Å²	121	55 Å²	55	57%	0.565	29%	0.29	S	S	*	.	H	α-helix	trans	-60.6	-49	175.5	-72.6	170.7	-164.9	0	0	110.9	S539 L540 V545 S546 L547	S539-E543 WeakPolarHBondContact O-CG 3.49Å; S539-E543 PolarHBondContact O-N 3.08Å; L540-E543 PolarHBondContact O-N 3.18Å; E543-V545 PolarHBondContact O-N 2.88Å; E543-S546 PolarHBondContact O-N 3.36Å; E543-S546 PolarHBondContact O-OG 3.16Å; E543-L547 PolarHBondContact O-N 3.27Å
544	K	85.9	Confident	91.4	Very high	78 Å²	78	66.5 Å²	66.5	34%	0.339	33%	0.333	S	S	.	.	H	α-helix	trans	-58.1	-44.8	177.6	-74.8	-178.7	176.3	-168.7	0	112.9	L540 C541 S546 L547 E658	L540-K544 WeakPolarHBondContact O-CG 3.47Å; L540-K544 PolarHBondContact O-N 2.89Å; C541-K544 PolarHBondContact O-N 3.35Å; K544-S546 VanDerWaalsContact C-N 3.35Å; K544-L547 PolarHBondContact O-N 3.22Å; K544-E658 HydrophobicContact CB-CG 4.42Å; K544-E658 HydrophobicContact CD-CG 4.36Å; K544-E658 IonicContact NZ-OE1 2.84Å
545	V	89.6	Confident	91.3	Very high	12 Å²	12	69.9 Å²	69.9	7%	0.073	35%	0.348	C	S	.	.	H	α-helix	trans	-75	-25.7	-179.2	-58.4	0	0	0	0	112.7	C541 L542 E543 L547 L548 E658 A661 L662	C541-V545 WeakPolarHBondContact O-CG1 3.4Å; C541-V545 WeakPolarHBondContact O-CG2 3.43Å; C541-V545 PolarHBondContact O-N 3.13Å; L542-V545 WeakPolarHBondContact O-CG2 3.43Å; L542-V545 PolarHBondContact O-N 3.43Å; E543-V545 PolarHBondContact O-N 2.88Å; V545-L547 PolarHBondContact O-N 3.42Å; V545-L548 HydrophobicContact CB-CD1 4.43Å; V545-L548 HydrophobicContact CG1-CD1 4.45Å; V545-L548 WeakPolarHBondContact O-CB 3.5Å; V545-L548 PolarHBondContact O-N 3.02Å; V545-E658 HydrophobicContact CG1-CB 3.66Å; V545-E658 HydrophobicContact CG1-CG 4.13Å; V545-E658 WeakPolarHBondContact CG1-O 3.43Å; V545-A661 HydrophobicContact CG1-CB 4.25Å; V545-A661 HydrophobicContact CG2-CB 3.98Å; V545-L662 HydrophobicContact CB-CD2 3.89Å; V545-L662 HydrophobicContact CB-CG 4.08Å; V545-L662 HydrophobicContact CG1-CD1 4.44Å; V545-L662 HydrophobicContact CG1-CD2 4.34Å; V545-L662 HydrophobicContact CG1-CG 3.99Å; V545-L662 HydrophobicContact CG2-CD2 4.4Å
546	S	87.2	Confident	90.8	Very high	73 Å²	73	72.8 Å²	72.8	51%	0.51	37%	0.366	S	S	.	.	H	α-helix	trans	-61.2	-34.7	174.3	76.5	0	0	0	0	112	L542 E543 K544 L548 H549	L542-S546 WeakPolarHBondContact O-CB 3.32Å; L542-S546 PolarHBondContact O-N 3.37Å; E543-S546 PolarHBondContact O-N 3.36Å; E543-S546 PolarHBondContact O-OG 3.16Å; K544-S546 VanDerWaalsContact C-N 3.35Å; S546-L548 PolarHBondContact O-N 2.84Å; S546-H549 PolarHBondContact O-N 3.04Å
547	L	81.7	Confident	90.4	Very high	55 Å²	55	78.6 Å²	78.6	29%	0.288	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-14.8	176.3	-61.7	174.6	0	0	0	113.5	A353 Q384 E543 K544 V545 H549	A353-L547 HydrophobicContact CB-CD2 4.31Å; Q384-L547 HydrophobicContact CG-CD1 4.49Å; E543-L547 PolarHBondContact O-N 3.27Å; K544-L547 PolarHBondContact O-N 3.22Å; V545-L547 PolarHBondContact O-N 3.42Å; L547-H549 VanDerWaalsContact C-N 3.33Å
548	L	81.9	Confident	90.2	Very high	72 Å²	72	84.6 Å²	84.6	38%	0.377	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-14.4	176	-58.2	176.8	0	0	0	112.7	V545 S546 H550	V545-L548 HydrophobicContact CB-CD1 4.43Å; V545-L548 HydrophobicContact CG1-CD1 4.45Å; V545-L548 WeakPolarHBondContact O-CB 3.5Å; V545-L548 PolarHBondContact O-N 3.02Å; S546-L548 PolarHBondContact O-N 2.84Å; L548-H550 HydrophobicContact CB-CB 4.43Å; L548-H550 PolarHBondContact O-N 3.17Å; L548-H550 VanDerWaalsContact O-N 3.13Å
549	H	81.1	Confident	89.8	Confident	122 Å²	122	86.2 Å²	86.2	57%	0.565	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	33.6	-173.7	-56.9	115	0	0	0	114.1	E354 S546 L547	E354-H549 IonicContact OE1-CE1 2.88Å; E354-H549 PolarHBondContact OE1-CE1 3.45Å; E354-H549 IonicContact OE1-ND1 3.36Å; E354-H549 IonicContact OE1-NE2 3.69Å; S546-H549 PolarHBondContact O-N 3.04Å; L547-H549 VanDerWaalsContact C-N 3.33Å
550	H	87.7	Confident	89.5	Confident	53 Å²	53	87.1 Å²	87.1	25%	0.245	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-72.2	137.7	-177.5	-169	-73.8	0	0	0	110.8	L548 F553 D635 L662	L548-H550 HydrophobicContact CB-CB 4.43Å; L548-H550 PolarHBondContact O-N 3.17Å; L548-H550 VanDerWaalsContact O-N 3.13Å; H550-F553 AromaticContact CE1-CE1 3.73Å; H550-F553 AromaticContact CE1-CE2 3.66Å; H550-F553 AromaticContact CE1-CZ 3.23Å; H550-F553 WeakPolarHBondContact CE1-CZ 3.42Å; H550-F553 AromaticContact NE2-CZ 3.83Å; H550-D635 IonicContact CD2-OD1 3.46Å; H550-D635 IonicContact CE1-OD1 2.63Å; H550-D635 PolarHBondContact CE1-OD1 2.84Å; H550-D635 IonicContact NE2-OD1 3.39Å; H550-D635 PolarHBondContact NE2-OD1 2.81Å; H550-D635 IonicContact NE2-OD2 3.72Å; H550-L662 HydrophobicContact CB-CD2 3.67Å
551	Q	90.6	Very high	89.2	Confident	153 Å²	153	89.7 Å²	89.7	72%	0.715	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-77.6	131.3	-177.1	-69.7	-62.7	-44.1	0	0	110.8	F553	Q551-F553 PolarHBondContact O-N 2.89Å
552	P	94.4	Very high	88.9	Confident	104 Å²	104	93.4 Å²	93.4	68%	0.675	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-56.4	133	179.4	-24.7	33.1	0	0	0	112.5
553	F	97.1	Very high	88.9	Confident	45 Å²	45	93.8 Å²	93.8	20%	0.197	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-66.3	149.9	174.8	-60.4	-75.6	0	0	0	111.5	H550 Q551 F555 A634 D635 A638 L662 K663 P664	H550-F553 AromaticContact CE1-CE1 3.73Å; H550-F553 AromaticContact CE1-CE2 3.66Å; H550-F553 AromaticContact CE1-CZ 3.23Å; H550-F553 WeakPolarHBondContact CE1-CZ 3.42Å; H550-F553 AromaticContact NE2-CZ 3.83Å; Q551-F553 PolarHBondContact O-N 2.89Å; F553-F555 HydrophobicContact CB-CE1 3.98Å; F553-F555 HydrophobicContact CB-CE2 4.02Å; F553-F555 HydrophobicContact CB-CZ 3.45Å; F553-F555 VanDerWaalsContact CB-CZ 3.45Å; F553-F555 HydrophobicContact CG-CZ 4.39Å; F553-A634 HydrophobicContact CE2-CB 4.01Å; F553-A634 HydrophobicContact CZ-CB 4.02Å; F553-D635 WeakPolarHBondContact CE1-OD1 3.41Å; F553-D635 WeakPolarHBondContact CZ-OD1 3.33Å; F553-A638 HydrophobicContact CD1-CB 3.43Å; F553-A638 VanDerWaalsContact CD1-CB 3.43Å; F553-A638 HydrophobicContact CE1-CB 3.32Å; F553-A638 HydrophobicContact CE2-CB 4.49Å; F553-A638 HydrophobicContact CG-CB 4.09Å; F553-A638 HydrophobicContact CZ-CB 3.88Å; F553-L662 VanDerWaalsContact CD2-O 3.3Å; F553-L662 WeakPolarHBondContact CD2-O 3.46Å; F553-L662 HydrophobicContact CE2-CB 4.33Å; F553-K663 WeakPolarHBondContact CD2-O 3.39Å; F553-P664 HydrophobicContact CD2-CB 4.24Å; F553-P664 HydrophobicContact CE2-CB 3.94Å; F553-P664 HydrophobicContact CZ-CB 4.4Å
554	R	94.6	Very high	89.3	Confident	241 Å²	241	90.9 Å²	90.9	91%	0.909	48%	0.483	S	S	*	.			trans	-118.2	135.5	177.5	-64.1	-175.3	-178.5	-176.5	1	109.7
555	F	94.6	Very high	89.9	Confident	72 Å²	72	87.2 Å²	87.2	32%	0.316	47%	0.467	S	S	.	.			trans	-122.5	150.6	-174.9	-53.5	-66.4	0	0	0	111.8	F553 K663 P664 P666	F553-F555 HydrophobicContact CB-CE1 3.98Å; F553-F555 HydrophobicContact CB-CE2 4.02Å; F553-F555 HydrophobicContact CB-CZ 3.45Å; F553-F555 VanDerWaalsContact CB-CZ 3.45Å; F553-F555 HydrophobicContact CG-CZ 4.39Å; F555-K663 WeakPolarHBondContact CZ-O 3.45Å; F555-P664 WeakPolarHBondContact CE1-O 3.43Å; F555-P664 VanDerWaalsContact CZ-C 3.48Å; F555-P666 HydrophobicContact CB-CB 3.89Å; F555-P666 HydrophobicContact CB-CG 4.25Å; F555-P666 HydrophobicContact CD1-CB 4.38Å; F555-P666 HydrophobicContact CD1-CG 4.27Å; F555-P666 HydrophobicContact CD2-CB 3.84Å; F555-P666 HydrophobicContact CG-CB 3.76Å; F555-P666 HydrophobicContact CG-CG 4.1Å
556	S	89.1	Confident	90.3	Very high	77 Å²	77	90 Å²	90	54%	0.538	48%	0.476	S	S	.	.			trans	-70.2	138.6	168.4	179.3	0	0	0	0	109.9	K558 Y1043	S556-K558 VanDerWaalsContact C-N 3.29Å; S556-K558 PolarHBondContact OG-N 3.34Å; S556-K558 PolarHBondContact OG-O 2.89Å; S556-Y1043 WeakPolarHBondContact O-CE1 3.49Å
557	K	87.5	Confident	90.9	Very high	164 Å²	164	86.5 Å²	86.5	71%	0.713	45%	0.452	S	S	*	.	S	Bend	trans	-78.3	-10.6	175	-68.4	-169.7	176.4	-172.4	0	114.1	E1044	K557-E1044 WeakPolarHBondContact O-CG 3.38Å
558	K	90.8	Very high	91.7	Very high	153 Å²	153	83.9 Å²	83.9	67%	0.665	44%	0.438	S	S	*	.	S	Bend	trans	-133.6	144.5	-178.6	-67.9	-170.8	176.4	-173.4	0	110.4	S556 P560 E1044	S556-K558 VanDerWaalsContact C-N 3.29Å; S556-K558 PolarHBondContact OG-N 3.34Å; S556-K558 PolarHBondContact OG-O 2.89Å; K558-P560 WeakPolarHBondContact O-CD 3.24Å; K558-E1044 WeakPolarHBondContact CA-OE1 3.33Å
559	L	90.8	Very high	92.5	Very high	36 Å²	36	80.4 Å²	80.4	19%	0.188	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-78.5	120.3	168.3	-172.4	67.4	0	0	0	108.5	Q563 H643 W1040 E1044	L559-Q563 HydrophobicContact CD1-CB 4.05Å; L559-Q563 HydrophobicContact CD1-CG 3.99Å; L559-Q563 HydrophobicContact CG-CB 4.29Å; L559-H643 WeakPolarHBondContact CD1-NE2 3.37Å; L559-W1040 HydrophobicContact CB-CZ2 3.91Å; L559-W1040 VanDerWaalsContact CB-NE1 3.29Å; L559-E1044 PolarHBondContact N-OE1 3.47Å
560	P	87.8	Confident	93.4	Very high	69 Å²	69	74.6 Å²	74.6	45%	0.448	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-51.8	142.3	173.2	-28.8	36.4	0	0	0	112.4	K558 G562 Q563	K558-P560 WeakPolarHBondContact O-CD 3.24Å; P560-G562 PolarHBondContact O-N 3.43Å; P560-Q563 HydrophobicContact CB-CB 4.18Å; P560-Q563 VanDerWaalsContact O-CB 3.3Å; P560-Q563 WeakPolarHBondContact O-CB 3.44Å; P560-Q563 PolarHBondContact O-N 2.9Å
561	A	86.5	Confident	93.9	Very high	111 Å²	111	72.1 Å²	72.1	92%	0.917	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	129.7	179.4	0	0	0	0	0	111	Q563	A561-Q563 VanDerWaalsContact C-N 3.26Å; A561-Q563 PolarHBondContact O-N 3.24Å
562	G	86.6	Confident	94.2	Very high	87 Å²	87	65.2 Å²	65.2	90%	0.897	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	-4.3	-178.3	0	0	0	0	0	115	P560	P560-G562 PolarHBondContact O-N 3.43Å
563	Q	93.1	Very high	94.3	Very high	71 Å²	71	60.8 Å²	60.8	33%	0.332	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-77.3	138.9	173.6	-172.3	174.6	-12.4	0	0	110.8	L559 P560 A561	L559-Q563 HydrophobicContact CD1-CB 4.05Å; L559-Q563 HydrophobicContact CD1-CG 3.99Å; L559-Q563 HydrophobicContact CG-CB 4.29Å; P560-Q563 HydrophobicContact CB-CB 4.18Å; P560-Q563 VanDerWaalsContact O-CB 3.3Å; P560-Q563 WeakPolarHBondContact O-CB 3.44Å; P560-Q563 PolarHBondContact O-N 2.9Å; A561-Q563 VanDerWaalsContact C-N 3.26Å; A561-Q563 PolarHBondContact O-N 3.24Å
564	R	97.5	Very high	94.3	Very high	61 Å²	61	58.6 Å²	58.6	23%	0.23	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-74.3	146.9	172.4	-61.9	-175.5	-62.8	166	2.4	111	R566 R592 K594 E596 E619	R564-R566 PolarHBondContact O-N 3.1Å; R564-R592 WeakPolarHBondContact CD-O 3.27Å; R564-R592 PolarHBondContact NH1-O 3.42Å; R564-K594 WeakPolarHBondContact CA-O 3.32Å; R564-K594 WeakPolarHBondContact CB-O 3.46Å; R564-E596 HydrophobicContact CB-CB 4.26Å; R564-E596 IonicContact NH2-OE1 3.9Å; R564-E596 PolarHBondContact NH2-OE1 3.41Å; R564-E596 IonicContact NH2-OE2 3.12Å; R564-E596 PolarHBondContact NH2-OE2 3.07Å; R564-E619 IonicContact CZ-OE1 3.43Å; R564-E619 IonicContact CZ-OE2 3.78Å; R564-E619 IonicContact NH1-OE1 3.73Å; R564-E619 PolarHBondContact NH1-OE1 2.92Å; R564-E619 VanDerWaalsContact NH1-OE1 3.13Å; R564-E619 IonicContact NH1-OE2 4Å; R564-E619 PolarHBondContact NH1-OE2 3.46Å; R564-E619 IonicContact NH2-OE1 3.25Å; R564-E619 PolarHBondContact NH2-OE1 3.11Å; R564-E619 IonicContact NH2-OE2 3.05Å
565	L	98.3	Very high	94.4	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	119.1	172.9	-171.2	66	0	0	0	109.3	I567 K594 V595 E596 H643 I644 F1037 W1040	L565-I567 HydrophobicContact CD2-CD1 3.94Å; L565-I567 HydrophobicContact CG-CD1 3.92Å; L565-K594 PolarHBondContact N-O 3.43Å; L565-V595 CarbonylContact O-C 3.57Å; L565-V595 VanDerWaalsContact O-CA 3.29Å; L565-V595 WeakPolarHBondContact O-CA 3.43Å; L565-V595 WeakPolarHBondContact O-CG1 3.44Å; L565-E596 PolarHBondContact O-N 3.46Å; L565-H643 HydrophobicContact CD1-CB 3.67Å; L565-I644 HydrophobicContact CD2-CD1 4.02Å; L565-F1037 HydrophobicContact CB-CE1 4.14Å; L565-F1037 HydrophobicContact CB-CZ 4.23Å; L565-F1037 HydrophobicContact CD2-CD1 4.19Å; L565-F1037 HydrophobicContact CD2-CE1 4.2Å; L565-F1037 HydrophobicContact CD2-CG 4.49Å; L565-F1037 HydrophobicContact CD2-CZ 4.48Å; L565-W1040 HydrophobicContact CD1-CB 4.06Å; L565-W1040 HydrophobicContact CD1-CD2 3.78Å; L565-W1040 HydrophobicContact CD1-CE3 4.03Å; L565-W1040 HydrophobicContact CD1-CG 3.76Å; L565-W1040 HydrophobicContact CD2-CB 4.35Å
566	R	98.6	Very high	94.3	Very high	69 Å²	69	48.2 Å²	48.2	26%	0.26	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	121.2	178.3	-62.4	177.2	168.5	170.8	1.6	111.7	R564 E596 F598 D640 G641 I642 H643 I644	R564-R566 PolarHBondContact O-N 3.1Å; R566-E596 WeakPolarHBondContact CA-O 3.42Å; R566-E596 HydrophobicContact CG-CB 4.02Å; R566-E596 HydrophobicContact CG-CG 4.36Å; R566-E596 IonicContact CZ-OE2 3.5Å; R566-E596 IonicContact NE-OE2 2.84Å; R566-E596 PolarHBondContact NE-OE2 3.4Å; R566-E596 IonicContact NH2-OE2 2.71Å; R566-E596 PolarHBondContact NH2-OE2 3.35Å; R566-F598 HydrophobicContact CB-CE2 4.28Å; R566-F598 HydrophobicContact CG-CE2 4.14Å; R566-D640 WeakPolarHBondContact CD-O 3.45Å; R566-D640 PolarHBondContact NH1-O 3.13Å; R566-G641 VanDerWaalsContact CD-O 3.24Å; R566-G641 WeakPolarHBondContact CD-O 3.36Å; R566-I642 HydrophobicContact CB-CD1 4.25Å; R566-H643 VanDerWaalsContact CB-ND1 3.31Å; R566-H643 WeakPolarHBondContact CB-ND1 3.4Å; R566-H643 PolarHBondContact N-ND1 3.15Å; R566-H643 WeakPolarHBondContact O-CB 3.24Å; R566-H643 PolarHBondContact O-N 3.48Å; R566-I644 PolarHBondContact O-N 3.46Å
567	I	98.8	Very high	94.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.1	-179.5	-51.1	-61.9	0	0	0	108.9	L565 Y569 V595 E596 F598 I644 L646 Y1036	L565-I567 HydrophobicContact CD2-CD1 3.94Å; L565-I567 HydrophobicContact CG-CD1 3.92Å; I567-Y569 HydrophobicContact CB-CE2 4.46Å; I567-Y569 HydrophobicContact CG2-CD2 4.29Å; I567-Y569 HydrophobicContact CG2-CE2 3.7Å; I567-V595 HydrophobicContact CB-CG1 4.3Å; I567-V595 HydrophobicContact CG1-CG1 3.56Å; I567-E596 PolarHBondContact N-O 2.9Å; I567-F598 PolarHBondContact O-N 3.43Å; I567-I644 WeakPolarHBondContact CA-O 3.48Å; I567-I644 HydrophobicContact CD1-CB 3.75Å; I567-I644 HydrophobicContact CD1-CD1 3.84Å; I567-I644 HydrophobicContact CD1-CG1 4.17Å; I567-L646 HydrophobicContact CG2-CD1 3.84Å; I567-L646 HydrophobicContact CG2-CG 4.48Å; I567-Y1036 HydrophobicContact CD1-CD1 4.45Å; I567-Y1036 HydrophobicContact CD1-CD2 3.64Å; I567-Y1036 HydrophobicContact CD1-CE2 4.2Å; I567-Y1036 HydrophobicContact CD1-CG 3.8Å; I567-Y1036 HydrophobicContact CG1-CD2 3.82Å; I567-Y1036 HydrophobicContact CG1-CE2 4.06Å; I567-Y1036 HydrophobicContact CG1-CG 4.48Å; I567-Y1036 HydrophobicContact CG2-CD2 4.38Å; I567-Y1036 HydrophobicContact CG2-CE2 3.85Å
568	G	98.9	Very high	94.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.4	176.9	0	0	0	0	0	111.6	F598 I644 L645 L646	G568-F598 CarbonylContact C-O 3.6Å; G568-F598 WeakPolarHBondContact CA-O 3.22Å; G568-I644 PolarHBondContact N-O 2.95Å; G568-L645 CarbonylContact O-C 3.55Å; G568-L645 WeakPolarHBondContact O-CA 3.41Å; G568-L646 PolarHBondContact O-N 3.3Å
569	Y	98.8	Very high	95.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	118.2	172.7	-65.3	-87.1	0	0	0	109.5	I567 M583 H590 V597 F598 C599 Y600 L646 M648 W671 Y1036	I567-Y569 HydrophobicContact CB-CE2 4.46Å; I567-Y569 HydrophobicContact CG2-CD2 4.29Å; I567-Y569 HydrophobicContact CG2-CE2 3.7Å; Y569-M583 HydrophobicContact CD1-CE 4.44Å; Y569-H590 AromaticContact CZ-NE2 3.92Å; Y569-H590 PolarHBondContact OH-NE2 3.48Å; Y569-V597 HydrophobicContact CD2-CG1 3.95Å; Y569-V597 HydrophobicContact CE2-CG1 3.86Å; Y569-F598 PolarHBondContact N-O 3.12Å; Y569-C599 CarbonylContact O-C 3.6Å; Y569-C599 WeakPolarHBondContact O-CA 3.32Å; Y569-Y600 PolarHBondContact O-N 3.46Å; Y569-L646 HydrophobicContact CD1-CB 4.18Å; Y569-L646 HydrophobicContact CD1-CD1 3.57Å; Y569-L646 HydrophobicContact CD1-CG 4.47Å; Y569-L646 HydrophobicContact CE1-CD1 3.23Å; Y569-L646 HydrophobicContact CE1-CG 4.5Å; Y569-L646 HydrophobicContact CG-CD1 4.38Å; Y569-M648 HydrophobicContact CD1-SD 3.69Å; Y569-M648 HydrophobicContact CG-SD 4.21Å; Y569-W671 AromaticContact CD1-CE3 3.91Å; Y569-W671 HydrophobicContact CD1-CE3 3.91Å; Y569-W671 AromaticContact CD1-CZ3 3.61Å; Y569-W671 HydrophobicContact CD1-CZ3 3.61Å; Y569-W671 AromaticContact CE1-CE3 3.64Å; Y569-W671 HydrophobicContact CE1-CE3 3.64Å; Y569-W671 HydrophobicContact CE1-CH2 4.09Å; Y569-W671 AromaticContact CE1-CZ3 3.22Å; Y569-W671 HydrophobicContact CE1-CZ3 3.22Å; Y569-Y1036 PolarHBondContact OH-OH 2.73Å
570	V	98.8	Very high	95.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	122.1	179	-170.7	0	0	0	0	109.5	Y600 L602 I637 L645 L646 M648 F660	V570-Y600 WeakPolarHBondContact CA-O 3.48Å; V570-Y600 HydrophobicContact CG2-CD2 4.02Å; V570-Y600 HydrophobicContact CG2-CG 4.41Å; V570-L602 HydrophobicContact CG1-CD1 3.95Å; V570-L602 HydrophobicContact CG1-CD2 3.65Å; V570-L602 HydrophobicContact CG1-CG 3.84Å; V570-I637 HydrophobicContact CG2-CD1 4.34Å; V570-L645 HydrophobicContact CG2-CD1 3.5Å; V570-L645 VanDerWaalsContact CG2-CD1 3.5Å; V570-L645 HydrophobicContact CG2-CD2 4.32Å; V570-L645 HydrophobicContact CG2-CG 3.91Å; V570-L646 PolarHBondContact N-O 3.35Å; V570-M648 WeakPolarHBondContact O-CB 3.48Å; V570-M648 PolarHBondContact O-N 3.07Å; V570-M648 VanDerWaalsContact O-N 3.1Å; V570-F660 HydrophobicContact CB-CE2 4.28Å; V570-F660 HydrophobicContact CB-CZ 3.77Å; V570-F660 HydrophobicContact CG1-CE2 4.31Å; V570-F660 HydrophobicContact CG1-CZ 4.29Å; V570-F660 HydrophobicContact CG2-CE1 4.47Å; V570-F660 HydrophobicContact CG2-CZ 3.87Å
571	S	98.6	Very high	95.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	141.3	-178.1	-164.9	0	0	0	0	112.5	D573 Y600 S601 L602 N649	S571-D573 WeakPolarHBondContact OG-CB 3.34Å; S571-D573 PolarHBondContact OG-N 3.32Å; S571-Y600 PolarHBondContact N-O 2.94Å; S571-S601 CarbonylContact O-C 3.5Å; S571-S601 WeakPolarHBondContact O-CA 3.4Å; S571-L602 PolarHBondContact O-N 2.86Å; S571-N649 VanDerWaalsContact CA-OD1 3.27Å; S571-N649 WeakPolarHBondContact CA-OD1 3.38Å
572	S	97.2	Very high	96.3	Very high	8 Å²	8	25.6 Å²	25.6	6%	0.056	15%	0.148	C	C	.	.	S	Bend	trans	-76.5	-10	159.9	59.6	0	0	0	0	113.3	A603 N649 K653	S572-A603 VanDerWaalsContact O-CB 3.23Å; S572-A603 WeakPolarHBondContact O-CB 3.33Å; S572-N649 PolarHBondContact N-ND2 2.83Å; S572-N649 PolarHBondContact N-OD1 2.94Å; S572-N649 PolarHBondContact OG-ND2 3.35Å; S572-K653 PolarHBondContact OG-O 2.91Å
573	D	97.5	Very high	96.8	Very high	11 Å²	11	21.4 Å²	21.4	6%	0.059	11%	0.105	C	C	.	.			trans	-107	20.4	-162.1	-59.8	-16.9	0	0	0	112.9	S571 C575 H577 T579 S580 N649	S571-D573 WeakPolarHBondContact OG-CB 3.34Å; S571-D573 PolarHBondContact OG-N 3.32Å; D573-C575 PolarHBondContact O-N 3.44Å; D573-H577 HydrophobicContact CB-CB 3.93Å; D573-H577 WeakPolarHBondContact CB-ND1 3.45Å; D573-H577 IonicContact OD2-CE1 3.12Å; D573-H577 PolarHBondContact OD2-CE1 3.26Å; D573-H577 IonicContact OD2-ND1 3.58Å; D573-H577 PolarHBondContact OD2-ND1 3Å; D573-H577 IonicContact OD2-NE2 3.76Å; D573-T579 HydrophobicContact CB-CG2 4.33Å; D573-T579 PolarHBondContact OD2-OG1 3.18Å; D573-S580 PolarHBondContact O-OG 3.49Å; D573-N649 PolarHBondContact OD2-ND2 3Å
574	F	97.2	Very high	96.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-75.2	55.4	167.7	-60.3	-41.6	0	0	0	110.9	C599 Y600 R611 V614 F621 M648	F574-C599 HydrophobicContact CE2-CB 3.92Å; F574-C599 HydrophobicContact CZ-CB 4.12Å; F574-Y600 WeakPolarHBondContact CE2-O 3.47Å; F574-R611 WeakPolarHBondContact O-CB 3.49Å; F574-R611 VanDerWaalsContact O-CD 3.3Å; F574-R611 WeakPolarHBondContact O-CD 3.39Å; F574-V614 HydrophobicContact CD1-CG1 3.91Å; F574-V614 HydrophobicContact CD1-CG2 4.48Å; F574-V614 HydrophobicContact CE1-CG1 4.2Å; F574-V614 HydrophobicContact CG-CG1 4.16Å; F574-F621 HydrophobicContact CB-CE2 4.42Å; F574-F621 HydrophobicContact CB-CZ 4.46Å; F574-F621 AromaticContact CD2-CE2 3.95Å; F574-F621 HydrophobicContact CD2-CE2 3.95Å; F574-F621 HydrophobicContact CD2-CZ 4.22Å; F574-F621 HydrophobicContact CG-CE2 4.36Å; F574-M648 HydrophobicContact CE1-CE 4.46Å; F574-M648 HydrophobicContact CE1-SD 4.09Å; F574-M648 HydrophobicContact CZ-SD 4.15Å
575	C	94.7	Very high	96.9	Very high	23 Å²	23	15.9 Å²	15.9	16%	0.155	8%	0.083	C	C	.	.	S	Bend	trans	-147.1	-168.8	-174.8	60.2	0	0	0	0	108.6	D573 H577 S580 D606	D573-C575 PolarHBondContact O-N 3.44Å; C575-H577 PolarHBondContact O-N 2.95Å; C575-S580 PolarHBondContact N-OG 3.03Å; C575-S580 WeakPolarHBondContact O-CB 3.43Å; C575-S580 PolarHBondContact O-OG 3.44Å; C575-D606 WeakPolarHBondContact CA-OD2 3.23Å; C575-D606 HydrophobicContact CB-CB 4.19Å; C575-D606 WeakPolarHBondContact CB-OD2 3.21Å
576	N	93.9	Very high	96.9	Very high	71 Å²	71	15.9 Å²	15.9	38%	0.38	8%	0.083	S	C	.	.	S	Bend	trans	-68.3	76.3	169	-171.7	7.4	0	0	0	111.9	H581 D606 T608 F610	N576-H581 PolarHBondContact OD1-CE1 3.18Å; N576-H581 VanDerWaalsContact OD1-CE1 3.3Å; N576-H581 PolarHBondContact OD1-NE2 3.25Å; N576-D606 PolarHBondContact N-OD2 3.43Å; N576-T608 HydrophobicContact CB-CG2 4.08Å; N576-F610 HydrophobicContact CB-CD2 3.76Å; N576-F610 HydrophobicContact CB-CE2 4.03Å; N576-F610 WeakPolarHBondContact OD1-CE2 3.42Å
577	H	94.7	Very high	96.8	Very high	63 Å²	63	12.7 Å²	12.7	29%	0.292	7%	0.071	S	C	.	.	S	Bend	trans	-136.8	150.7	-177.5	-170.4	-96.4	0	0	0	110.1	D573 C575 T579 S580 H581	D573-H577 HydrophobicContact CB-CB 3.93Å; D573-H577 WeakPolarHBondContact CB-ND1 3.45Å; D573-H577 IonicContact OD2-CE1 3.12Å; D573-H577 PolarHBondContact OD2-CE1 3.26Å; D573-H577 IonicContact OD2-ND1 3.58Å; D573-H577 PolarHBondContact OD2-ND1 3Å; D573-H577 IonicContact OD2-NE2 3.76Å; C575-H577 PolarHBondContact O-N 2.95Å; H577-T579 PolarHBondContact CE1-OG1 2.92Å; H577-T579 PolarHBondContact ND1-N 3.27Å; H577-T579 PolarHBondContact ND1-OG1 3.25Å; H577-T579 PolarHBondContact O-N 3.34Å; H577-S580 PolarHBondContact O-N 2.99Å; H577-H581 PolarHBondContact O-CD2 3.33Å; H577-H581 PolarHBondContact O-N 3.48Å; H577-H581 VanDerWaalsContact O-N 3.13Å
578	P	94.8	Very high	96.7	Very high	53 Å²	53	13.8 Å²	13.8	34%	0.344	8%	0.083	S	C	.	.	H	α-helix	trans	-43.6	-37.9	172.7	-36.2	38.1	0	0	0	115.3	H581 L582 T947	P578-H581 PolarHBondContact O-N 3.12Å; P578-L582 WeakPolarHBondContact O-CD1 3.46Å; P578-L582 WeakPolarHBondContact O-CG 3.33Å; P578-L582 PolarHBondContact O-N 2.94Å; P578-L582 VanDerWaalsContact O-N 3.13Å; P578-T947 HydrophobicContact CB-CG2 3.99Å; P578-T947 WeakPolarHBondContact CB-OG1 3.24Å
579	T	94.9	Very high	96.7	Very high	5 Å²	5	15.9 Å²	15.9	3%	0.031	9%	0.093	C	C	.	.	H	α-helix	trans	-55.6	-57.1	175.5	-51.2	0	0	0	0	111.2	D573 H577 H581 L582 M583 M648	D573-T579 HydrophobicContact CB-CG2 4.33Å; D573-T579 PolarHBondContact OD2-OG1 3.18Å; H577-T579 PolarHBondContact CE1-OG1 2.92Å; H577-T579 PolarHBondContact ND1-N 3.27Å; H577-T579 PolarHBondContact ND1-OG1 3.25Å; H577-T579 PolarHBondContact O-N 3.34Å; T579-H581 VanDerWaalsContact C-N 3.29Å; T579-H581 PolarHBondContact O-N 3.27Å; T579-L582 PolarHBondContact O-N 2.95Å; T579-M583 HydrophobicContact CG2-CG 4.42Å; T579-M583 WeakPolarHBondContact O-CG 3.42Å; T579-M583 PolarHBondContact O-N 3.3Å; T579-M648 HydrophobicContact CG2-CE 3.57Å
580	S	96.2	Very high	96.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.2	-36.7	176.5	-62.2	0	0	0	0	113	D573 C575 H577 L582 M583 Q584	D573-S580 PolarHBondContact O-OG 3.49Å; C575-S580 PolarHBondContact N-OG 3.03Å; C575-S580 WeakPolarHBondContact O-CB 3.43Å; C575-S580 PolarHBondContact O-OG 3.44Å; H577-S580 PolarHBondContact O-N 2.99Å; S580-L582 PolarHBondContact O-N 3.45Å; S580-M583 PolarHBondContact O-N 3.25Å; S580-Q584 WeakPolarHBondContact O-CB 3.26Å; S580-Q584 VanDerWaalsContact O-CG 3.27Å; S580-Q584 WeakPolarHBondContact O-CG 3.34Å; S580-Q584 PolarHBondContact O-N 3.41Å; S580-Q584 VanDerWaalsContact O-N 3.08Å; S580-Q584 PolarHBondContact O-NE2 3.26Å
581	H	96	Very high	96.6	Very high	10 Å²	10	18.8 Å²	18.8	5%	0.046	11%	0.109	C	C	.	.	H	α-helix	trans	-62.5	-26	177.2	-55.6	164.2	0	0	0	112.8	N576 H577 P578 T579 F610 M720 K924	N576-H581 PolarHBondContact OD1-CE1 3.18Å; N576-H581 VanDerWaalsContact OD1-CE1 3.3Å; N576-H581 PolarHBondContact OD1-NE2 3.25Å; H577-H581 PolarHBondContact O-CD2 3.33Å; H577-H581 PolarHBondContact O-N 3.48Å; H577-H581 VanDerWaalsContact O-N 3.13Å; P578-H581 PolarHBondContact O-N 3.12Å; T579-H581 VanDerWaalsContact C-N 3.29Å; T579-H581 PolarHBondContact O-N 3.27Å; H581-F610 AromaticContact CD2-CE1 3.96Å; H581-F610 AromaticContact CD2-CE2 4Å; H581-F610 AromaticContact CD2-CZ 3.71Å; H581-F610 AromaticContact NE2-CE2 3.66Å; H581-F610 AromaticContact NE2-CZ 3.74Å; H581-M720 HydrophobicContact CB-CE 4.23Å; H581-M720 HydrophobicContact CB-SD 4.21Å; H581-K924 WeakPolarHBondContact ND1-CD 3.44Å; H581-K924 VanDerWaalsContact ND1-CE 3.26Å; H581-K924 WeakPolarHBondContact ND1-CE 3.49Å; H581-K924 PolarHBondContact ND1-NZ 3.22Å
582	L	97.4	Very high	96.5	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-89.7	-33.6	-178.1	-67.9	167	0	0	0	113.3	P578 T579 S580 L672 F713 I714 G715 D716 T947 M950	P578-L582 WeakPolarHBondContact O-CD1 3.46Å; P578-L582 WeakPolarHBondContact O-CG 3.33Å; P578-L582 PolarHBondContact O-N 2.94Å; P578-L582 VanDerWaalsContact O-N 3.13Å; T579-L582 PolarHBondContact O-N 2.95Å; S580-L582 PolarHBondContact O-N 3.45Å; L582-L672 HydrophobicContact CB-CD2 4.35Å; L582-L672 HydrophobicContact CD1-CD1 4.35Å; L582-F713 HydrophobicContact CD1-CE1 3.59Å; L582-F713 HydrophobicContact CD1-CE2 4.21Å; L582-F713 HydrophobicContact CD1-CZ 3.33Å; L582-F713 HydrophobicContact CD2-CD1 4.34Å; L582-F713 HydrophobicContact CD2-CE1 3.61Å; L582-F713 HydrophobicContact CD2-CZ 4.25Å; L582-F713 HydrophobicContact CG-CE1 4.26Å; L582-F713 HydrophobicContact CG-CZ 4.44Å; L582-I714 WeakPolarHBondContact CB-O 3.45Å; L582-I714 WeakPolarHBondContact CD2-O 3.46Å; L582-G715 CarbonylContact O-C 3.42Å; L582-G715 WeakPolarHBondContact O-CA 3.43Å; L582-D716 PolarHBondContact O-N 3.41Å; L582-T947 WeakPolarHBondContact CD1-OG1 3.44Å; L582-T947 HydrophobicContact CD2-CG2 4.18Å; L582-T947 HydrophobicContact CG-CG2 4.26Å; L582-M950 HydrophobicContact CD2-CB 4.26Å; L582-M950 HydrophobicContact CD2-CG 3.88Å
583	M	96	Very high	96.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-136.7	3.1	-164.7	68	73.7	71.2	0	0	116.9	Y569 T579 S580 S585 I586 P587 M648 W671 L672 I714	Y569-M583 HydrophobicContact CD1-CE 4.44Å; T579-M583 HydrophobicContact CG2-CG 4.42Å; T579-M583 WeakPolarHBondContact O-CG 3.42Å; T579-M583 PolarHBondContact O-N 3.3Å; S580-M583 PolarHBondContact O-N 3.25Å; M583-S585 PolarHBondContact O-N 2.96Å; M583-I586 HydrophobicContact CB-CD1 3.91Å; M583-I586 HydrophobicContact CB-CG1 4.25Å; M583-I586 HydrophobicContact CE-CB 4.42Å; M583-I586 WeakPolarHBondContact O-CB 3.09Å; M583-I586 PolarHBondContact O-N 3.21Å; M583-P587 HydrophobicContact CE-CG 4Å; M583-P587 WeakPolarHBondContact O-CD 3.42Å; M583-M648 HydrophobicContact CE-CE 3.54Å; M583-M648 HydrophobicContact CE-SD 4.24Å; M583-M648 HydrophobicContact CG-CE 3.86Å; M583-M648 HydrophobicContact SD-CE 3.77Å; M583-W671 HydrophobicContact CB-CH2 4.2Å; M583-W671 HydrophobicContact CE-CH2 3.83Å; M583-W671 HydrophobicContact CE-CZ3 3.67Å; M583-W671 HydrophobicContact CG-CH2 4.42Å; M583-L672 HydrophobicContact CB-CD2 3.76Å; M583-L672 HydrophobicContact CG-CD2 3.53Å; M583-I714 HydrophobicContact CB-CG2 4.34Å
584	Q	96.5	Very high	96.5	Very high	10 Å²	10	33.9 Å²	33.9	5%	0.047	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-28	-172.3	60.6	-170.9	-90.6	0	0	115.4	S580 K613 V614 D716 M720	S580-Q584 WeakPolarHBondContact O-CB 3.26Å; S580-Q584 VanDerWaalsContact O-CG 3.27Å; S580-Q584 WeakPolarHBondContact O-CG 3.34Å; S580-Q584 PolarHBondContact O-N 3.41Å; S580-Q584 VanDerWaalsContact O-N 3.08Å; S580-Q584 PolarHBondContact O-NE2 3.26Å; Q584-K613 HydrophobicContact CB-CD 4.33Å; Q584-K613 HydrophobicContact CG-CD 3.97Å; Q584-V614 HydrophobicContact CB-CG2 3.87Å; Q584-D716 HydrophobicContact CG-CB 4.48Å; Q584-D716 WeakPolarHBondContact CG-OD2 3.48Å; Q584-M720 PolarHBondContact NE2-SD 3.4Å
585	S	97.3	Very high	96.5	Very high	6 Å²	6	33.9 Å²	33.9	4%	0.042	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-19	175.3	-53.6	0	0	0	0	114.5	M583 G588 L589 K613 D716	M583-S585 PolarHBondContact O-N 2.96Å; S585-G588 PolarHBondContact O-N 2.97Å; S585-L589 VanDerWaalsContact O-CG 3.23Å; S585-L589 WeakPolarHBondContact O-CG 3.36Å; S585-L589 PolarHBondContact O-N 2.92Å; S585-K613 PolarHBondContact OG-NZ 3.25Å; S585-D716 WeakPolarHBondContact CB-OD2 3.42Å; S585-D716 PolarHBondContact N-OD2 3.28Å; S585-D716 PolarHBondContact OG-OD1 2.98Å; S585-D716 PolarHBondContact OG-OD2 3.06Å
586	I	98	Very high	96.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.5	-47.3	-173.9	-68.5	-174	0	0	0	112.4	M583 G588 L589 H590 W671 I714 C1025 Y1028 T1029	M583-I586 HydrophobicContact CB-CD1 3.91Å; M583-I586 HydrophobicContact CB-CG1 4.25Å; M583-I586 HydrophobicContact CE-CB 4.42Å; M583-I586 WeakPolarHBondContact O-CB 3.09Å; M583-I586 PolarHBondContact O-N 3.21Å; I586-G588 PolarHBondContact O-N 3.41Å; I586-G588 VanDerWaalsContact O-N 3.12Å; I586-L589 PolarHBondContact O-N 2.98Å; I586-H590 PolarHBondContact O-CD2 3.41Å; I586-W671 HydrophobicContact CD1-CH2 3.98Å; I586-W671 HydrophobicContact CD1-CZ2 4.13Å; I586-W671 HydrophobicContact CG2-CH2 4.39Å; I586-I714 HydrophobicContact CD1-CB 4.47Å; I586-I714 HydrophobicContact CD1-CG1 4.24Å; I586-I714 HydrophobicContact CD1-CG2 3.67Å; I586-C1025 HydrophobicContact CG1-CB 4.42Å; I586-Y1028 HydrophobicContact CD1-CD1 3.52Å; I586-Y1028 HydrophobicContact CD1-CE1 3.72Å; I586-Y1028 HydrophobicContact CD1-CG 4.49Å; I586-T1029 HydrophobicContact CG2-CG2 4.46Å
587	P	96.6	Very high	96.9	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.013	16%	0.158	C	C	.	.	H	α-helix	trans	-54.9	-33	178.2	-28.6	37.6	0	0	0	113.9	M583 V597 V614 A618	M583-P587 HydrophobicContact CE-CG 4Å; M583-P587 WeakPolarHBondContact O-CD 3.42Å; P587-V597 HydrophobicContact CB-CG1 4.08Å; P587-V614 HydrophobicContact CG-CG1 4.42Å; P587-A618 HydrophobicContact CB-CB 4.19Å
588	G	97.2	Very high	97.1	Very high	24 Å²	24	27.9 Å²	27.9	25%	0.247	15%	0.146	C	C	.	.	H	α-helix	trans	-83.7	-15.5	178.1	0	0	0	0	0	115.7	S585 I586 E617	S585-G588 PolarHBondContact O-N 2.97Å; I586-G588 PolarHBondContact O-N 3.41Å; I586-G588 VanDerWaalsContact O-N 3.12Å; G588-E617 WeakPolarHBondContact CA-O 3.48Å
589	L	98	Very high	97.3	Very high	43 Å²	43	25.3 Å²	25.3	23%	0.225	13%	0.13	C	C	.	.	H	α-helix	trans	-93.5	-6.1	-174.2	-74	171.3	0	0	0	114	S585 I586 C1025 T1029	S585-L589 VanDerWaalsContact O-CG 3.23Å; S585-L589 WeakPolarHBondContact O-CG 3.36Å; S585-L589 PolarHBondContact O-N 2.92Å; I586-L589 PolarHBondContact O-N 2.98Å; L589-C1025 HydrophobicContact CD1-CB 3.51Å; L589-T1029 HydrophobicContact CB-CG2 4.03Å
590	H	98.4	Very high	97.5	Very high	9 Å²	9	25.1 Å²	25.1	4%	0.042	13%	0.128	C	C	.	.	S	Bend	trans	-62.6	143.2	178.2	-81.7	-68.3	0	0	0	112.5	Y569 I586 R592 V595 V597 T1029 E1033 Y1036	Y569-H590 AromaticContact CZ-NE2 3.92Å; Y569-H590 PolarHBondContact OH-NE2 3.48Å; I586-H590 PolarHBondContact O-CD2 3.41Å; H590-R592 PolarHBondContact O-N 3.3Å; H590-V595 HydrophobicContact CB-CG1 4.47Å; H590-V597 HydrophobicContact CB-CG2 3.72Å; H590-V597 VanDerWaalsContact CD2-CG2 3.47Å; H590-V597 WeakPolarHBondContact CD2-CG2 3.48Å; H590-T1029 HydrophobicContact CB-CG2 4.37Å; H590-T1029 WeakPolarHBondContact ND1-CG2 3.49Å; H590-E1033 WeakPolarHBondContact CA-OE1 3.43Å; H590-E1033 WeakPolarHBondContact CB-OE1 3.33Å; H590-E1033 IonicContact CE1-OE1 3.96Å; H590-E1033 IonicContact CG-OE1 3.96Å; H590-E1033 VanDerWaalsContact ND1-CG 3.27Å; H590-E1033 WeakPolarHBondContact ND1-CG 3.42Å; H590-E1033 IonicContact ND1-OE1 3.59Å; H590-E1033 PolarHBondContact ND1-OE1 3.21Å; H590-Y1036 AromaticContact CE1-CE2 3.92Å
591	D	98	Very high	97.6	Very high	53 Å²	53	25.1 Å²	25.1	28%	0.283	13%	0.128	S	C	.	.			trans	-69.6	95.9	170.9	-176	-9.6	0	0	0	109.5	T593 K594 V595 E1033	D591-T593 VanDerWaalsContact CG-OG1 3.31Å; D591-T593 PolarHBondContact O-N 3.27Å; D591-T593 WeakPolarHBondContact OD1-CB 3.44Å; D591-T593 PolarHBondContact OD1-N 3.41Å; D591-T593 PolarHBondContact OD1-OG1 2.92Å; D591-T593 PolarHBondContact OD2-OG1 3.13Å; D591-K594 HydrophobicContact CB-CD 4.42Å; D591-K594 PolarHBondContact O-N 2.9Å; D591-K594 WeakPolarHBondContact OD2-CD 3.39Å; D591-K594 VanDerWaalsContact OD2-CE 3.28Å; D591-K594 WeakPolarHBondContact OD2-CE 3.24Å; D591-K594 IonicContact OD2-NZ 2.73Å; D591-K594 PolarHBondContact OD2-NZ 2.98Å; D591-V595 PolarHBondContact O-N 2.55Å; D591-E1033 PolarHBondContact N-OE1 3.37Å
592	R	97	Very high	97.7	Very high	125 Å²	125	25.4 Å²	25.4	47%	0.472	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-10.4	-177.9	-65.1	-172.9	179.4	-170.3	-4.3	114.2	R564 H590 K594 V595 E617	R564-R592 WeakPolarHBondContact CD-O 3.27Å; R564-R592 PolarHBondContact NH1-O 3.42Å; H590-R592 PolarHBondContact O-N 3.3Å; R592-K594 VanDerWaalsContact C-N 3.34Å; R592-V595 WeakPolarHBondContact CA-O 3.47Å; R592-E617 PolarHBondContact NH2-O 2.92Å
593	T	96.6	Very high	97.6	Very high	110 Å²	110	26.4 Å²	26.4	68%	0.675	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-20.1	171.9	72	0	0	0	0	112.7	D591	D591-T593 VanDerWaalsContact CG-OG1 3.31Å; D591-T593 PolarHBondContact O-N 3.27Å; D591-T593 WeakPolarHBondContact OD1-CB 3.44Å; D591-T593 PolarHBondContact OD1-N 3.41Å; D591-T593 PolarHBondContact OD1-OG1 2.92Å; D591-T593 PolarHBondContact OD2-OG1 3.13Å
594	K	97.1	Very high	97.5	Very high	100 Å²	100	30.7 Å²	30.7	44%	0.435	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-36.6	-176.3	-66.4	178.9	-170.6	133.2	0	112.9	R564 L565 D591 R592 F1037	R564-K594 WeakPolarHBondContact CA-O 3.32Å; R564-K594 WeakPolarHBondContact CB-O 3.46Å; L565-K594 PolarHBondContact N-O 3.43Å; D591-K594 HydrophobicContact CB-CD 4.42Å; D591-K594 PolarHBondContact O-N 2.9Å; D591-K594 WeakPolarHBondContact OD2-CD 3.39Å; D591-K594 VanDerWaalsContact OD2-CE 3.28Å; D591-K594 WeakPolarHBondContact OD2-CE 3.24Å; D591-K594 IonicContact OD2-NZ 2.73Å; D591-K594 PolarHBondContact OD2-NZ 2.98Å; R592-K594 VanDerWaalsContact C-N 3.34Å; K594-F1037 HydrophobicContact CB-CE2 4.15Å; K594-F1037 HydrophobicContact CB-CZ 3.94Å; K594-F1037 HydrophobicContact CD-CE2 4.48Å
595	V	98.1	Very high	97.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	142.3	-171.9	174.4	0	0	0	0	110.5	L565 I567 H590 D591 R592 V597 E1033 F1037	L565-V595 CarbonylContact O-C 3.57Å; L565-V595 VanDerWaalsContact O-CA 3.29Å; L565-V595 WeakPolarHBondContact O-CA 3.43Å; L565-V595 WeakPolarHBondContact O-CG1 3.44Å; I567-V595 HydrophobicContact CB-CG1 4.3Å; I567-V595 HydrophobicContact CG1-CG1 3.56Å; H590-V595 HydrophobicContact CB-CG1 4.47Å; D591-V595 PolarHBondContact O-N 2.55Å; R592-V595 WeakPolarHBondContact CA-O 3.47Å; V595-V597 HydrophobicContact CG1-CG2 3.87Å; V595-E1033 HydrophobicContact CG2-CG 4.24Å; V595-F1037 HydrophobicContact CG2-CE2 4.13Å; V595-F1037 HydrophobicContact CG2-CZ 4.31Å
596	E	98.3	Very high	97.5	Very high	20 Å²	20	37.7 Å²	37.7	9%	0.093	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124	171.7	-178.8	174.7	-163.8	0	0	108.5	R564 L565 R566 I567 F598 H620	R564-E596 HydrophobicContact CB-CB 4.26Å; R564-E596 IonicContact NH2-OE1 3.9Å; R564-E596 PolarHBondContact NH2-OE1 3.41Å; R564-E596 IonicContact NH2-OE2 3.12Å; R564-E596 PolarHBondContact NH2-OE2 3.07Å; L565-E596 PolarHBondContact O-N 3.46Å; R566-E596 WeakPolarHBondContact CA-O 3.42Å; R566-E596 HydrophobicContact CG-CB 4.02Å; R566-E596 HydrophobicContact CG-CG 4.36Å; R566-E596 IonicContact CZ-OE2 3.5Å; R566-E596 IonicContact NE-OE2 2.84Å; R566-E596 PolarHBondContact NE-OE2 3.4Å; R566-E596 IonicContact NH2-OE2 2.71Å; R566-E596 PolarHBondContact NH2-OE2 3.35Å; I567-E596 PolarHBondContact N-O 2.9Å; E596-F598 HydrophobicContact CG-CD2 4.44Å; E596-F598 HydrophobicContact CG-CE2 3.67Å; E596-F598 HydrophobicContact CG-CZ 4.33Å; E596-H620 IonicContact OE1-CD2 3.52Å; E596-H620 IonicContact OE1-CE1 2.84Å; E596-H620 IonicContact OE1-NE2 3.95Å; E596-H620 PolarHBondContact OE1-NE2 3.01Å
597	V	98.7	Very high	97.3	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.018	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129	-166.2	179.6	0	0	0	0	111.9	Y569 P587 H590 V595 E619 H620	Y569-V597 HydrophobicContact CD2-CG1 3.95Å; Y569-V597 HydrophobicContact CE2-CG1 3.86Å; P587-V597 HydrophobicContact CB-CG1 4.08Å; H590-V597 HydrophobicContact CB-CG2 3.72Å; H590-V597 VanDerWaalsContact CD2-CG2 3.47Å; H590-V597 WeakPolarHBondContact CD2-CG2 3.48Å; V595-V597 HydrophobicContact CG1-CG2 3.87Å; V597-E619 WeakPolarHBondContact O-CB 3.46Å; V597-E619 PolarHBondContact O-N 2.91Å; V597-H620 PolarHBondContact O-N 3.46Å
598	F	98.8	Very high	97.3	Very high	8 Å²	8	41 Å²	41	4%	0.035	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	135.5	174	-66.6	-105.9	0	0	0	110.3	R566 I567 G568 Y569 E596 Y600 H620 D640 I642	R566-F598 HydrophobicContact CB-CE2 4.28Å; R566-F598 HydrophobicContact CG-CE2 4.14Å; I567-F598 PolarHBondContact O-N 3.43Å; G568-F598 CarbonylContact C-O 3.6Å; G568-F598 WeakPolarHBondContact CA-O 3.22Å; Y569-F598 PolarHBondContact N-O 3.12Å; E596-F598 HydrophobicContact CG-CD2 4.44Å; E596-F598 HydrophobicContact CG-CE2 3.67Å; E596-F598 HydrophobicContact CG-CZ 4.33Å; F598-Y600 HydrophobicContact CB-CD2 4.44Å; F598-Y600 HydrophobicContact CB-CE2 3.65Å; F598-H620 CarbonylContact C-O 3.53Å; F598-H620 WeakPolarHBondContact CA-O 3.48Å; F598-H620 HydrophobicContact CD1-CB 3.37Å; F598-H620 AromaticContact CD1-CD2 3.9Å; F598-H620 AromaticContact CD1-CG 3.78Å; F598-H620 HydrophobicContact CE1-CB 3.58Å; F598-H620 AromaticContact CE1-CD2 3.42Å; F598-H620 VanDerWaalsContact CE1-CD2 3.42Å; F598-H620 WeakPolarHBondContact CE1-CD2 3.36Å; F598-H620 AromaticContact CE1-CG 3.44Å; F598-H620 VanDerWaalsContact CE1-CG 3.44Å; F598-H620 AromaticContact CE2-CD2 3.63Å; F598-H620 HydrophobicContact CG-CB 3.95Å; F598-H620 HydrophobicContact CZ-CB 4.33Å; F598-H620 AromaticContact CZ-CD2 3.27Å; F598-H620 WeakPolarHBondContact CZ-CD2 3.48Å; F598-H620 AromaticContact CZ-CG 3.8Å; F598-H620 AromaticContact CZ-NE2 3.67Å; F598-D640 HydrophobicContact CD1-CB 4.2Å; F598-D640 HydrophobicContact CE1-CB 3.86Å; F598-D640 HydrophobicContact CZ-CB 4.34Å; F598-I642 HydrophobicContact CB-CD1 3.85Å; F598-I642 HydrophobicContact CD1-CD1 4.19Å; F598-I642 HydrophobicContact CD2-CD1 3.38Å; F598-I642 HydrophobicContact CE2-CD1 3.92Å; F598-I642 HydrophobicContact CG-CD1 3.55Å
599	C	98.9	Very high	97.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	123	170.9	-73.9	0	0	0	0	109.4	Y569 F574 V614 A618 H620 F621 V622	Y569-C599 CarbonylContact O-C 3.6Å; Y569-C599 WeakPolarHBondContact O-CA 3.32Å; F574-C599 HydrophobicContact CE2-CB 3.92Å; F574-C599 HydrophobicContact CZ-CB 4.12Å; C599-V614 HydrophobicContact CB-CG1 4.3Å; C599-A618 HydrophobicContact CB-CB 4.07Å; C599-H620 PolarHBondContact N-O 3.13Å; C599-F621 HydrophobicContact CB-CD2 3.59Å; C599-F621 HydrophobicContact CB-CE2 3.97Å; C599-F621 WeakPolarHBondContact O-CA 3.38Å; C599-V622 PolarHBondContact O-N 2.9Å
600	Y	98.8	Very high	97	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	109.2	179.6	-61.6	-82.4	0	0	0	109.9	Y569 V570 S571 F574 F598 V622 L624 I637 D640 I642 L645	Y569-Y600 PolarHBondContact O-N 3.46Å; V570-Y600 WeakPolarHBondContact CA-O 3.48Å; V570-Y600 HydrophobicContact CG2-CD2 4.02Å; V570-Y600 HydrophobicContact CG2-CG 4.41Å; S571-Y600 PolarHBondContact N-O 2.94Å; F574-Y600 WeakPolarHBondContact CE2-O 3.47Å; F598-Y600 HydrophobicContact CB-CD2 4.44Å; F598-Y600 HydrophobicContact CB-CE2 3.65Å; Y600-V622 CarbonylContact C-O 3.05Å; Y600-V622 WeakPolarHBondContact CA-O 3.47Å; Y600-V622 HydrophobicContact CD1-CB 3.64Å; Y600-V622 HydrophobicContact CD1-CG1 3.97Å; Y600-V622 HydrophobicContact CD1-CG2 4.19Å; Y600-V622 HydrophobicContact CE1-CB 3.86Å; Y600-V622 HydrophobicContact CE1-CG1 4.15Å; Y600-V622 HydrophobicContact CE1-CG2 3.9Å; Y600-L624 HydrophobicContact CD1-CD1 3.89Å; Y600-L624 HydrophobicContact CD1-CD2 4.4Å; Y600-L624 HydrophobicContact CD1-CG 4.16Å; Y600-L624 HydrophobicContact CG-CD1 4.16Å; Y600-I637 HydrophobicContact CD1-CG1 3.89Å; Y600-I637 HydrophobicContact CD2-CG1 4.28Å; Y600-I637 HydrophobicContact CE1-CG1 3.74Å; Y600-I637 HydrophobicContact CE2-CG1 4.12Å; Y600-I637 HydrophobicContact CE2-CG2 4.45Å; Y600-I637 HydrophobicContact CG-CD1 4.5Å; Y600-I637 HydrophobicContact CG-CG1 4.16Å; Y600-D640 WeakPolarHBondContact CE1-OD2 3.46Å; Y600-D640 VanDerWaalsContact OH-CB 3.27Å; Y600-D640 WeakPolarHBondContact OH-CB 3.48Å; Y600-D640 PolarHBondContact OH-OD2 3.12Å; Y600-I642 HydrophobicContact CE2-CD1 4.24Å; Y600-I642 HydrophobicContact CE2-CG1 4.1Å; Y600-I642 WeakPolarHBondContact OH-CD1 3.38Å; Y600-I642 WeakPolarHBondContact OH-CG1 3.44Å; Y600-L645 HydrophobicContact CD2-CD1 4.41Å; Y600-L645 HydrophobicContact CE2-CD1 4.34Å
601	S	98.5	Very high	97	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	130.2	176.8	-170.3	0	0	0	0	111.5	S571 A603 R611 V622 L624 S625	S571-S601 CarbonylContact O-C 3.5Å; S571-S601 WeakPolarHBondContact O-CA 3.4Å; S601-A603 PolarHBondContact OG-N 3.46Å; S601-A603 PolarHBondContact OG-O 3.03Å; S601-R611 PolarHBondContact OG-NH1 3.14Å; S601-V622 PolarHBondContact N-O 3.23Å; S601-L624 WeakPolarHBondContact O-CA 3.5Å; S601-L624 WeakPolarHBondContact O-CB 3.5Å; S601-L624 PolarHBondContact O-N 3.47Å; S601-S625 PolarHBondContact O-N 3.05Å
602	L	97.7	Very high	96.9	Very high	17 Å²	17	39 Å²	39	9%	0.089	23%	0.225	C	C	.	.	S	Bend	trans	-91.3	-11.1	171.1	-53.8	-176.2	0	0	0	112.7	V570 S571 L624 S625 R656 I659	V570-L602 HydrophobicContact CG1-CD1 3.95Å; V570-L602 HydrophobicContact CG1-CD2 3.65Å; V570-L602 HydrophobicContact CG1-CG 3.84Å; S571-L602 PolarHBondContact O-N 2.86Å; L602-L624 HydrophobicContact CD2-CB 4.21Å; L602-L624 HydrophobicContact CD2-CD1 4.19Å; L602-S625 WeakPolarHBondContact O-CB 3.49Å; L602-R656 HydrophobicContact CD1-CB 3.95Å; L602-R656 HydrophobicContact CD1-CG 4.05Å; L602-I659 HydrophobicContact CD2-CD1 4.04Å
603	A	95.3	Very high	96.9	Very high	24 Å²	24	35.4 Å²	35.4	20%	0.198	21%	0.213	C	C	.	.	S	Bend	trans	-114.8	150.7	178.4	0	0	0	0	0	111.9	S572 S601 R611	S572-A603 VanDerWaalsContact O-CB 3.23Å; S572-A603 WeakPolarHBondContact O-CB 3.33Å; S601-A603 PolarHBondContact OG-N 3.46Å; S601-A603 PolarHBondContact OG-O 3.03Å; A603-R611 PolarHBondContact O-NH1 3.4Å; A603-R611 VanDerWaalsContact O-NH1 3.13Å
604	P	94.8	Very high	97	Very high	90 Å²	90	30.1 Å²	30.1	58%	0.584	18%	0.181	S	C	*	.			trans	-57.8	161.5	171.7	-21.2	32.7	0	0	0	111.8	D606 R611	P604-D606 PolarHBondContact O-N 3.26Å; P604-R611 PolarHBondContact O-NH1 3.29Å
605	D	96.8	Very high	97	Very high	95 Å²	95	26.7 Å²	26.7	51%	0.508	17%	0.171	S	C	.	.			trans	-61.7	127	170.6	-162.7	-34.2	0	0	0	110.4	G607 R611	D605-G607 VanDerWaalsContact C-N 3.33Å; D605-G607 WeakPolarHBondContact OD1-CA 3.31Å; D605-G607 PolarHBondContact OD1-N 3.25Å; D605-R611 HydrophobicContact CB-CG 4.24Å; D605-R611 VanDerWaalsContact CG-CG 3.41Å; D605-R611 WeakPolarHBondContact OD1-CG 3.19Å; D605-R611 IonicContact OD2-NE 2.78Å
606	D	95	Very high	97	Very high	68 Å²	68	33 Å²	33	36%	0.364	20%	0.204	S	C	.	.			trans	-91.1	2.7	178.5	72.2	-23	0	0	0	112.9	C575 N576 P604 T608 R611	C575-D606 WeakPolarHBondContact CA-OD2 3.23Å; C575-D606 HydrophobicContact CB-CB 4.19Å; C575-D606 WeakPolarHBondContact CB-OD2 3.21Å; N576-D606 PolarHBondContact N-OD2 3.43Å; P604-D606 PolarHBondContact O-N 3.26Å; D606-T608 HydrophobicContact CB-CG2 4.43Å; D606-T608 VanDerWaalsContact CG-CG2 3.4Å; D606-T608 VanDerWaalsContact CG-OG1 3.23Å; D606-T608 PolarHBondContact O-N 3.32Å; D606-T608 WeakPolarHBondContact OD1-CB 3.45Å; D606-T608 PolarHBondContact OD1-N 2.97Å; D606-T608 PolarHBondContact OD1-OG1 3.29Å; D606-T608 WeakPolarHBondContact OD2-CG2 3.22Å; D606-T608 PolarHBondContact OD2-OG1 2.98Å; D606-T608 VanDerWaalsContact OD2-OG1 3.11Å; D606-R611 WeakPolarHBondContact OD1-CB 3.42Å
607	G	95.5	Very high	96.9	Very high	59 Å²	59	35.1 Å²	35.1	61%	0.608	22%	0.215	S	C	*	.	S	Bend	trans	76.1	7.6	-179.9	0	0	0	0	0	114.2	D605	D605-G607 VanDerWaalsContact C-N 3.33Å; D605-G607 WeakPolarHBondContact OD1-CA 3.31Å; D605-G607 PolarHBondContact OD1-N 3.25Å
608	T	95.2	Very high	96.8	Very high	14 Å²	14	35.3 Å²	35.3	9%	0.086	22%	0.216	C	C	.	.			trans	-87.6	152.7	-175.6	67.5	0	0	0	0	112.2	N576 D606 F610 R611 A612 E835	N576-T608 HydrophobicContact CB-CG2 4.08Å; D606-T608 HydrophobicContact CB-CG2 4.43Å; D606-T608 VanDerWaalsContact CG-CG2 3.4Å; D606-T608 VanDerWaalsContact CG-OG1 3.23Å; D606-T608 PolarHBondContact O-N 3.32Å; D606-T608 WeakPolarHBondContact OD1-CB 3.45Å; D606-T608 PolarHBondContact OD1-N 2.97Å; D606-T608 PolarHBondContact OD1-OG1 3.29Å; D606-T608 WeakPolarHBondContact OD2-CG2 3.22Å; D606-T608 PolarHBondContact OD2-OG1 2.98Å; D606-T608 VanDerWaalsContact OD2-OG1 3.11Å; T608-F610 PolarHBondContact O-N 3.09Å; T608-F610 VanDerWaalsContact O-N 3.17Å; T608-R611 PolarHBondContact O-N 3.38Å; T608-R611 PolarHBondContact OG1-N 3.27Å; T608-A612 PolarHBondContact O-N 3.47Å; T608-E835 VanDerWaalsContact CA-OE2 3.26Å; T608-E835 WeakPolarHBondContact CA-OE2 3.46Å
609	N	94.8	Very high	96.8	Very high	42 Å²	42	37.6 Å²	37.6	23%	0.225	23%	0.227	C	C	.	.	H	α-helix	trans	-63.3	-21.4	174	-63.1	-8.1	0	0	0	111.9	K613 K830 E835 E836	N609-K613 WeakPolarHBondContact O-CB 3.49Å; N609-K613 PolarHBondContact O-N 3.42Å; N609-K830 PolarHBondContact OD1-NZ 3.27Å; N609-E835 HydrophobicContact CB-CB 3.85Å; N609-E835 HydrophobicContact CB-CG 4.32Å; N609-E835 WeakPolarHBondContact CB-O 3.45Å; N609-E835 PolarHBondContact N-OE2 3Å; N609-E835 PolarHBondContact ND2-O 3.35Å; N609-E836 WeakPolarHBondContact ND2-CG 3.26Å; N609-E836 PolarHBondContact ND2-OE1 3.22Å; N609-E836 VanDerWaalsContact ND2-OE1 3.14Å
610	F	95.4	Very high	96.7	Very high	1 Å²	1	40.7 Å²	40.7	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-63.1	-49.8	173.1	-60.8	-54.7	0	0	0	111.5	N576 H581 T608 K613 V614 M720 G834 E835	N576-F610 HydrophobicContact CB-CD2 3.76Å; N576-F610 HydrophobicContact CB-CE2 4.03Å; N576-F610 WeakPolarHBondContact OD1-CE2 3.42Å; H581-F610 AromaticContact CD2-CE1 3.96Å; H581-F610 AromaticContact CD2-CE2 4Å; H581-F610 AromaticContact CD2-CZ 3.71Å; H581-F610 AromaticContact NE2-CE2 3.66Å; H581-F610 AromaticContact NE2-CZ 3.74Å; T608-F610 PolarHBondContact O-N 3.09Å; T608-F610 VanDerWaalsContact O-N 3.17Å; F610-K613 PolarHBondContact O-N 3.22Å; F610-V614 WeakPolarHBondContact O-CG2 3.5Å; F610-V614 PolarHBondContact O-N 3.28Å; F610-V614 VanDerWaalsContact O-N 3.16Å; F610-M720 HydrophobicContact CE1-CE 3.44Å; F610-M720 VanDerWaalsContact CE1-CE 3.44Å; F610-M720 HydrophobicContact CZ-CE 3.82Å; F610-G834 VanDerWaalsContact CE1-O 3.28Å; F610-G834 WeakPolarHBondContact CE1-O 3.45Å; F610-G834 VanDerWaalsContact CZ-C 3.42Å; F610-G834 WeakPolarHBondContact CZ-O 3.45Å; F610-E835 HydrophobicContact CD2-CG 3.91Å; F610-E835 HydrophobicContact CE2-CG 3.62Å; F610-E835 HydrophobicContact CZ-CG 4.1Å
611	R	97	Very high	96.7	Very high	6 Å²	6	43.2 Å²	43.2	2%	0.023	25%	0.252	C	S	.	.	H	α-helix	trans	-60.4	-49.8	174.1	173.2	47.4	167.3	-100.4	-0.1	110.7	F574 S601 A603 P604 D605 D606 T608 K613 V614 A615 F621 D623	F574-R611 WeakPolarHBondContact O-CB 3.49Å; F574-R611 VanDerWaalsContact O-CD 3.3Å; F574-R611 WeakPolarHBondContact O-CD 3.39Å; S601-R611 PolarHBondContact OG-NH1 3.14Å; A603-R611 PolarHBondContact O-NH1 3.4Å; A603-R611 VanDerWaalsContact O-NH1 3.13Å; P604-R611 PolarHBondContact O-NH1 3.29Å; D605-R611 HydrophobicContact CB-CG 4.24Å; D605-R611 VanDerWaalsContact CG-CG 3.41Å; D605-R611 WeakPolarHBondContact OD1-CG 3.19Å; D605-R611 IonicContact OD2-NE 2.78Å; D606-R611 WeakPolarHBondContact OD1-CB 3.42Å; T608-R611 PolarHBondContact O-N 3.38Å; T608-R611 PolarHBondContact OG1-N 3.27Å; R611-K613 VanDerWaalsContact C-N 3.3Å; R611-K613 PolarHBondContact O-N 3.08Å; R611-V614 PolarHBondContact O-N 3.21Å; R611-A615 WeakPolarHBondContact O-CB 3.48Å; R611-A615 PolarHBondContact O-N 2.91Å; R611-F621 VanDerWaalsContact CZ-CZ 3.46Å; R611-F621 VanDerWaalsContact NE-CE1 3.31Å; R611-D623 IonicContact NH2-OD2 2.58Å; R611-D623 PolarHBondContact NH2-OD2 3.22Å; R611-D623 VanDerWaalsContact NH2-OD2 3.17Å
612	A	97.5	Very high	96.7	Very high	38 Å²	38	44.4 Å²	44.4	31%	0.314	26%	0.26	S	S	.	.	H	α-helix	trans	-59.2	-40.4	-179.9	0	0	0	0	0	112.4	T608 A615 N616	T608-A612 PolarHBondContact O-N 3.47Å; A612-A615 PolarHBondContact O-N 3.44Å; A612-N616 VanDerWaalsContact O-CB 3.26Å; A612-N616 WeakPolarHBondContact O-CB 3.47Å; A612-N616 PolarHBondContact O-N 2.87Å; A612-N616 PolarHBondContact O-ND2 3.28Å; A612-N616 VanDerWaalsContact O-ND2 3.08Å
613	K	96.7	Very high	96.7	Very high	48 Å²	48	46.9 Å²	46.9	21%	0.209	27%	0.273	C	S	.	.	H	α-helix	trans	-63.5	-51.9	178.2	-174.3	-179.2	179.1	178.9	0	111.6	Q584 S585 N609 F610 R611 A615 N616 E617 D716	Q584-K613 HydrophobicContact CB-CD 4.33Å; Q584-K613 HydrophobicContact CG-CD 3.97Å; S585-K613 PolarHBondContact OG-NZ 3.25Å; N609-K613 WeakPolarHBondContact O-CB 3.49Å; N609-K613 PolarHBondContact O-N 3.42Å; F610-K613 PolarHBondContact O-N 3.22Å; R611-K613 VanDerWaalsContact C-N 3.3Å; R611-K613 PolarHBondContact O-N 3.08Å; K613-A615 VanDerWaalsContact C-N 3.27Å; K613-A615 PolarHBondContact O-N 3.38Å; K613-N616 PolarHBondContact O-N 3.04Å; K613-E617 WeakPolarHBondContact CE-OE1 3.46Å; K613-E617 HydrophobicContact CG-CG 4.2Å; K613-E617 WeakPolarHBondContact CG-OE1 3.16Å; K613-E617 VanDerWaalsContact O-CB 3.28Å; K613-E617 WeakPolarHBondContact O-CB 3.38Å; K613-E617 WeakPolarHBondContact O-CG 3.12Å; K613-E617 PolarHBondContact O-N 3.05Å; K613-D716 IonicContact NZ-OD2 3.2Å
614	V	97.5	Very high	96.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.8	-41.7	178.5	177.4	0	0	0	0	110.6	F574 Q584 P587 C599 F610 R611 A618 F621	F574-V614 HydrophobicContact CD1-CG1 3.91Å; F574-V614 HydrophobicContact CD1-CG2 4.48Å; F574-V614 HydrophobicContact CE1-CG1 4.2Å; F574-V614 HydrophobicContact CG-CG1 4.16Å; Q584-V614 HydrophobicContact CB-CG2 3.87Å; P587-V614 HydrophobicContact CG-CG1 4.42Å; C599-V614 HydrophobicContact CB-CG1 4.3Å; F610-V614 WeakPolarHBondContact O-CG2 3.5Å; F610-V614 PolarHBondContact O-N 3.28Å; F610-V614 VanDerWaalsContact O-N 3.16Å; R611-V614 PolarHBondContact O-N 3.21Å; V614-A618 WeakPolarHBondContact O-CB 3.32Å; V614-A618 PolarHBondContact O-N 3.31Å; V614-F621 HydrophobicContact CG1-CD2 4.23Å; V614-F621 HydrophobicContact CG1-CE2 3.92Å
615	A	97.8	Very high	96.8	Very high	28 Å²	28	42.4 Å²	42.4	23%	0.231	24%	0.242	C	C	.	.	H	α-helix	trans	-65.5	-38.4	179	0	0	0	0	0	113.7	R611 A612 K613 F621	R611-A615 WeakPolarHBondContact O-CB 3.48Å; R611-A615 PolarHBondContact O-N 2.91Å; A612-A615 PolarHBondContact O-N 3.44Å; K613-A615 VanDerWaalsContact C-N 3.27Å; K613-A615 PolarHBondContact O-N 3.38Å; A615-F621 VanDerWaalsContact CA-CD2 3.43Å; A615-F621 HydrophobicContact CB-CB 4.17Å; A615-F621 HydrophobicContact CB-CD1 4Å; A615-F621 HydrophobicContact CB-CD2 3.83Å; A615-F621 HydrophobicContact CB-CE1 4.37Å; A615-F621 HydrophobicContact CB-CE2 4.19Å; A615-F621 HydrophobicContact CB-CG 3.72Å; A615-F621 HydrophobicContact CB-CZ 4.44Å
616	N	97.7	Very high	96.5	Very high	131 Å²	131	41.1 Å²	41.1	70%	0.701	25%	0.252	S	S	*	.	H	α-helix	trans	-80.5	-31.4	-179.8	-69	-26.1	0	0	0	113.2	A612 K613	A612-N616 VanDerWaalsContact O-CB 3.26Å; A612-N616 WeakPolarHBondContact O-CB 3.47Å; A612-N616 PolarHBondContact O-N 2.87Å; A612-N616 PolarHBondContact O-ND2 3.28Å; A612-N616 VanDerWaalsContact O-ND2 3.08Å; K613-N616 PolarHBondContact O-N 3.04Å
617	E	97	Very high	96.4	Very high	66 Å²	66	40.3 Å²	40.3	31%	0.308	25%	0.247	S	C	.	.	H	α-helix	trans	-89.6	-29.8	-176.2	-72.9	-170.2	-164.3	0	0	113.3	G588 R592 K613	G588-E617 WeakPolarHBondContact CA-O 3.48Å; R592-E617 PolarHBondContact NH2-O 2.92Å; K613-E617 WeakPolarHBondContact CE-OE1 3.46Å; K613-E617 HydrophobicContact CG-CG 4.2Å; K613-E617 WeakPolarHBondContact CG-OE1 3.16Å; K613-E617 VanDerWaalsContact O-CB 3.28Å; K613-E617 WeakPolarHBondContact O-CB 3.38Å; K613-E617 WeakPolarHBondContact O-CG 3.12Å; K613-E617 PolarHBondContact O-N 3.05Å
618	A	95.9	Very high	95.8	Very high	7 Å²	7	44.4 Å²	44.4	6%	0.058	25%	0.25	C	S	.	.	S	Bend	trans	-60.2	143.9	167.3	0	0	0	0	0	110.1	P587 C599 V614 H620	P587-A618 HydrophobicContact CB-CB 4.19Å; C599-A618 HydrophobicContact CB-CB 4.07Å; V614-A618 WeakPolarHBondContact O-CB 3.32Å; V614-A618 PolarHBondContact O-N 3.31Å; A618-H620 VanDerWaalsContact C-N 3.3Å
619	E	97.9	Very high	95.5	Very high	55 Å²	55	46.4 Å²	46.4	26%	0.257	26%	0.264	S	S	.	.	S	Bend	trans	-67.8	-37.6	175.7	-169.2	173.8	154.9	0	0	110.8	R564 V597	R564-E619 IonicContact CZ-OE1 3.43Å; R564-E619 IonicContact CZ-OE2 3.78Å; R564-E619 IonicContact NH1-OE1 3.73Å; R564-E619 PolarHBondContact NH1-OE1 2.92Å; R564-E619 VanDerWaalsContact NH1-OE1 3.13Å; R564-E619 IonicContact NH1-OE2 4Å; R564-E619 PolarHBondContact NH1-OE2 3.46Å; R564-E619 IonicContact NH2-OE1 3.25Å; R564-E619 PolarHBondContact NH2-OE1 3.11Å; R564-E619 IonicContact NH2-OE2 3.05Å; V597-E619 WeakPolarHBondContact O-CB 3.46Å; V597-E619 PolarHBondContact O-N 2.91Å
620	H	98.7	Very high	95.3	Very high	65 Å²	65	47 Å²	47	30%	0.301	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	129.2	173.3	-55.7	-83	0	0	0	110.4	E596 V597 F598 C599 A618	E596-H620 IonicContact OE1-CD2 3.52Å; E596-H620 IonicContact OE1-CE1 2.84Å; E596-H620 IonicContact OE1-NE2 3.95Å; E596-H620 PolarHBondContact OE1-NE2 3.01Å; V597-H620 PolarHBondContact O-N 3.46Å; F598-H620 CarbonylContact C-O 3.53Å; F598-H620 WeakPolarHBondContact CA-O 3.48Å; F598-H620 HydrophobicContact CD1-CB 3.37Å; F598-H620 AromaticContact CD1-CD2 3.9Å; F598-H620 AromaticContact CD1-CG 3.78Å; F598-H620 HydrophobicContact CE1-CB 3.58Å; F598-H620 AromaticContact CE1-CD2 3.42Å; F598-H620 VanDerWaalsContact CE1-CD2 3.42Å; F598-H620 WeakPolarHBondContact CE1-CD2 3.36Å; F598-H620 AromaticContact CE1-CG 3.44Å; F598-H620 VanDerWaalsContact CE1-CG 3.44Å; F598-H620 AromaticContact CE2-CD2 3.63Å; F598-H620 HydrophobicContact CG-CB 3.95Å; F598-H620 HydrophobicContact CZ-CB 4.33Å; F598-H620 AromaticContact CZ-CD2 3.27Å; F598-H620 WeakPolarHBondContact CZ-CD2 3.48Å; F598-H620 AromaticContact CZ-CG 3.8Å; F598-H620 AromaticContact CZ-NE2 3.67Å; C599-H620 PolarHBondContact N-O 3.13Å; A618-H620 VanDerWaalsContact C-N 3.3Å
621	F	98.6	Very high	95.2	Very high	53 Å²	53	47.1 Å²	47.1	23%	0.232	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	123.8	174.3	-168	-83	0	0	0	110.3	F574 C599 R611 V614 A615	F574-F621 HydrophobicContact CB-CE2 4.42Å; F574-F621 HydrophobicContact CB-CZ 4.46Å; F574-F621 AromaticContact CD2-CE2 3.95Å; F574-F621 HydrophobicContact CD2-CE2 3.95Å; F574-F621 HydrophobicContact CD2-CZ 4.22Å; F574-F621 HydrophobicContact CG-CE2 4.36Å; C599-F621 HydrophobicContact CB-CD2 3.59Å; C599-F621 HydrophobicContact CB-CE2 3.97Å; C599-F621 WeakPolarHBondContact O-CA 3.38Å; R611-F621 VanDerWaalsContact CZ-CZ 3.46Å; R611-F621 VanDerWaalsContact NE-CE1 3.31Å; V614-F621 HydrophobicContact CG1-CD2 4.23Å; V614-F621 HydrophobicContact CG1-CE2 3.92Å; A615-F621 VanDerWaalsContact CA-CD2 3.43Å; A615-F621 HydrophobicContact CB-CB 4.17Å; A615-F621 HydrophobicContact CB-CD1 4Å; A615-F621 HydrophobicContact CB-CD2 3.83Å; A615-F621 HydrophobicContact CB-CE1 4.37Å; A615-F621 HydrophobicContact CB-CE2 4.19Å; A615-F621 HydrophobicContact CB-CG 3.72Å; A615-F621 HydrophobicContact CB-CZ 4.44Å
622	V	98.5	Very high	95	Very high	26 Å²	26	53.4 Å²	53.4	16%	0.158	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123	-173.8	-177.6	0	0	0	0	109.5	C599 Y600 S601 L624 K636	C599-V622 PolarHBondContact O-N 2.9Å; Y600-V622 CarbonylContact C-O 3.05Å; Y600-V622 WeakPolarHBondContact CA-O 3.47Å; Y600-V622 HydrophobicContact CD1-CB 3.64Å; Y600-V622 HydrophobicContact CD1-CG1 3.97Å; Y600-V622 HydrophobicContact CD1-CG2 4.19Å; Y600-V622 HydrophobicContact CE1-CB 3.86Å; Y600-V622 HydrophobicContact CE1-CG1 4.15Å; Y600-V622 HydrophobicContact CE1-CG2 3.9Å; S601-V622 PolarHBondContact N-O 3.23Å; V622-L624 HydrophobicContact CG1-CD2 3.88Å; V622-L624 HydrophobicContact CG1-CG 4.45Å; V622-K636 HydrophobicContact CG1-CG 4.19Å
623	D	97.6	Very high	94.9	Very high	68 Å²	68	51.6 Å²	51.6	36%	0.364	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	112.9	174.4	-164.3	-22.6	0	0	0	110.7	R611 S625	R611-D623 IonicContact NH2-OD2 2.58Å; R611-D623 PolarHBondContact NH2-OD2 3.22Å; R611-D623 VanDerWaalsContact NH2-OD2 3.17Å; D623-S625 VanDerWaalsContact CG-OG 3.3Å; D623-S625 WeakPolarHBondContact OD1-CA 3.49Å; D623-S625 WeakPolarHBondContact OD1-CB 3.29Å; D623-S625 PolarHBondContact OD1-N 3.43Å; D623-S625 PolarHBondContact OD1-OG 3.46Å; D623-S625 PolarHBondContact OD2-OG 2.89Å
624	L	98.1	Very high	95	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.27	C	S	.	.			trans	-98.1	0.6	175.6	-58.3	-178.6	0	0	0	112.6	Y600 S601 L602 V622 G626 I627 A633 K636 I637 R656	Y600-L624 HydrophobicContact CD1-CD1 3.89Å; Y600-L624 HydrophobicContact CD1-CD2 4.4Å; Y600-L624 HydrophobicContact CD1-CG 4.16Å; Y600-L624 HydrophobicContact CG-CD1 4.16Å; S601-L624 WeakPolarHBondContact O-CA 3.5Å; S601-L624 WeakPolarHBondContact O-CB 3.5Å; S601-L624 PolarHBondContact O-N 3.47Å; L602-L624 HydrophobicContact CD2-CB 4.21Å; L602-L624 HydrophobicContact CD2-CD1 4.19Å; V622-L624 HydrophobicContact CG1-CD2 3.88Å; V622-L624 HydrophobicContact CG1-CG 4.45Å; L624-G626 VanDerWaalsContact C-N 3.29Å; L624-G626 PolarHBondContact O-N 3.01Å; L624-I627 HydrophobicContact CD2-CD1 3.9Å; L624-I627 CarbonylContact O-C 3.35Å; L624-I627 PolarHBondContact O-N 2.62Å; L624-A633 HydrophobicContact CD1-CB 4.3Å; L624-K636 HydrophobicContact CD2-CB 4.43Å; L624-K636 HydrophobicContact CD2-CG 4.18Å; L624-I637 HydrophobicContact CD1-CD1 4.07Å; L624-I637 HydrophobicContact CD1-CG1 4.33Å; L624-R656 PolarHBondContact O-NH1 3.43Å
625	S	94.6	Very high	95.1	Very high	20 Å²	20	52.6 Å²	52.6	14%	0.14	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-32	-178.8	74.7	0	0	0	0	112.3	S601 L602 D623 I627 Q628	S601-S625 PolarHBondContact O-N 3.05Å; L602-S625 WeakPolarHBondContact O-CB 3.49Å; D623-S625 VanDerWaalsContact CG-OG 3.3Å; D623-S625 WeakPolarHBondContact OD1-CA 3.49Å; D623-S625 WeakPolarHBondContact OD1-CB 3.29Å; D623-S625 PolarHBondContact OD1-N 3.43Å; D623-S625 PolarHBondContact OD1-OG 3.46Å; D623-S625 PolarHBondContact OD2-OG 2.89Å; S625-I627 VanDerWaalsContact C-N 3.34Å; S625-Q628 PolarHBondContact O-NE2 3.35Å
626	G	90.3	Very high	95.1	Very high	68 Å²	68	54.7 Å²	54.7	70%	0.701	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-15.7	170.2	0	0	0	0	0	114.7	L624 Q628	L624-G626 VanDerWaalsContact C-N 3.29Å; L624-G626 PolarHBondContact O-N 3.01Å; G626-Q628 PolarHBondContact O-N 2.87Å
627	I	92	Very high	95.1	Very high	52 Å²	52	48.4 Å²	48.4	27%	0.267	26%	0.258	S	S	.	.			trans	-98.3	85	-179.3	-53.9	179.6	0	0	0	108.8	L624 S625 C629 K632 A633 R656	L624-I627 HydrophobicContact CD2-CD1 3.9Å; L624-I627 CarbonylContact O-C 3.35Å; L624-I627 PolarHBondContact O-N 2.62Å; S625-I627 VanDerWaalsContact C-N 3.34Å; I627-C629 PolarHBondContact O-N 3.12Å; I627-K632 HydrophobicContact CG2-CB 3.57Å; I627-A633 HydrophobicContact CG2-CB 4.16Å; I627-R656 VanDerWaalsContact O-CZ 3.3Å; I627-R656 PolarHBondContact O-NH1 3.49Å; I627-R656 PolarHBondContact O-NH2 3.43Å
628	Q	83.7	Confident	95.2	Very high	145 Å²	145	46.5 Å²	46.5	68%	0.678	25%	0.253	S	S	*	.			trans	-64.7	-40.2	-176.9	-63.2	-60.8	-27.7	0	0	112.9	S625 G626 H630 R656	S625-Q628 PolarHBondContact O-NE2 3.35Å; G626-Q628 PolarHBondContact O-N 2.87Å; Q628-H630 PolarHBondContact O-N 3.09Å; Q628-R656 PolarHBondContact O-NH2 3.47Å
629	C	87.7	Confident	95.3	Very high	56 Å²	56	50.2 Å²	50.2	38%	0.378	28%	0.279	S	S	.	.			trans	-66.1	120.7	179	178.5	0	0	0	0	111.5	I627 G631 K632 A633	I627-C629 PolarHBondContact O-N 3.12Å; C629-G631 VanDerWaalsContact C-N 3.32Å; C629-G631 PolarHBondContact O-N 3.04Å; C629-K632 HydrophobicContact CB-CB 4.21Å; C629-K632 HydrophobicContact CB-CD 4.17Å; C629-K632 HydrophobicContact CB-CG 4.1Å; C629-K632 PolarHBondContact O-N 3.21Å; C629-A633 PolarHBondContact O-N 2.95Å; C629-A633 VanDerWaalsContact O-N 3.15Å
630	H	92.1	Very high	95.3	Very high	53 Å²	53	48.6 Å²	48.6	25%	0.245	27%	0.272	C	S	.	.	H	α-helix	trans	-60	-38.8	178.6	-59.3	-69.8	0	0	0	113	Q628 A633 A634 E658 I659	Q628-H630 PolarHBondContact O-N 3.09Å; H630-A633 PolarHBondContact O-N 3.35Å; H630-A634 PolarHBondContact O-N 3.47Å; H630-E658 HydrophobicContact CB-CB 3.91Å; H630-E658 IonicContact CE1-OE2 3.68Å; H630-E658 IonicContact NE2-OE2 3.77Å; H630-I659 HydrophobicContact CB-CG1 4.41Å
631	G	92.3	Very high	95.2	Very high	5 Å²	5	46.9 Å²	46.9	5%	0.052	27%	0.271	C	S	.	.	H	α-helix	trans	-58.2	-50.6	176.1	0	0	0	0	0	112.7	C629 A633 A634 D635	C629-G631 VanDerWaalsContact C-N 3.32Å; C629-G631 PolarHBondContact O-N 3.04Å; G631-A633 VanDerWaalsContact C-N 3.3Å; G631-A633 PolarHBondContact O-N 3.45Å; G631-A634 WeakPolarHBondContact O-CB 3.42Å; G631-A634 PolarHBondContact O-N 2.94Å; G631-A634 VanDerWaalsContact O-N 3.15Å; G631-D635 VanDerWaalsContact O-CG 3.27Å; G631-D635 PolarHBondContact O-N 3.03Å
632	K	92.3	Very high	95.2	Very high	138 Å²	138	44.5 Å²	44.5	60%	0.6	26%	0.261	S	S	*	.	H	α-helix	trans	-63	-36.4	178.1	-68	-175.3	177.6	-178.7	0	112.8	I627 C629 D635 K636	I627-K632 HydrophobicContact CG2-CB 3.57Å; C629-K632 HydrophobicContact CB-CB 4.21Å; C629-K632 HydrophobicContact CB-CD 4.17Å; C629-K632 HydrophobicContact CB-CG 4.1Å; C629-K632 PolarHBondContact O-N 3.21Å; K632-D635 PolarHBondContact O-N 3.27Å; K632-K636 PolarHBondContact O-N 2.92Å; K632-K636 VanDerWaalsContact O-N 3.07Å
633	A	96.9	Very high	95.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.1	-42.1	175.3	0	0	0	0	0	111.3	L624 I627 C629 H630 G631 K636 I637 I659	L624-A633 HydrophobicContact CD1-CB 4.3Å; I627-A633 HydrophobicContact CG2-CB 4.16Å; C629-A633 PolarHBondContact O-N 2.95Å; C629-A633 VanDerWaalsContact O-N 3.15Å; H630-A633 PolarHBondContact O-N 3.35Å; G631-A633 VanDerWaalsContact C-N 3.3Å; G631-A633 PolarHBondContact O-N 3.45Å; A633-K636 PolarHBondContact O-N 3.18Å; A633-I637 WeakPolarHBondContact O-CG1 3.46Å; A633-I637 PolarHBondContact O-N 3.42Å; A633-I659 HydrophobicContact CB-CD1 3.74Å; A633-I659 HydrophobicContact CB-CG1 4.07Å
634	A	98.5	Very high	95.3	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.7	-42.1	174	0	0	0	0	0	112.1	F553 H630 G631 K636 I637 A638 I659 L662 P664	F553-A634 HydrophobicContact CE2-CB 4.01Å; F553-A634 HydrophobicContact CZ-CB 4.02Å; H630-A634 PolarHBondContact O-N 3.47Å; G631-A634 WeakPolarHBondContact O-CB 3.42Å; G631-A634 PolarHBondContact O-N 2.94Å; G631-A634 VanDerWaalsContact O-N 3.15Å; A634-K636 VanDerWaalsContact C-N 3.29Å; A634-K636 PolarHBondContact O-N 3.33Å; A634-I637 PolarHBondContact O-N 3.17Å; A634-A638 WeakPolarHBondContact O-CB 3.33Å; A634-A638 PolarHBondContact O-N 3.5Å; A634-I659 HydrophobicContact CB-CG2 4.34Å; A634-L662 HydrophobicContact CB-CB 3.96Å; A634-L662 HydrophobicContact CB-CD1 3.66Å; A634-L662 HydrophobicContact CB-CG 4.48Å; A634-P664 HydrophobicContact CB-CB 4.1Å; A634-P664 HydrophobicContact CB-CG 4.19Å; A634-P664 WeakPolarHBondContact O-CB 3.4Å
635	D	98.1	Very high	95.3	Very high	68 Å²	68	41 Å²	41	36%	0.364	24%	0.241	S	C	.	.	H	α-helix	trans	-58.4	-41.9	175.6	-68.9	-32.5	0	0	0	111.7	H550 F553 G631 K632 A638 S639	H550-D635 IonicContact CD2-OD1 3.46Å; H550-D635 IonicContact CE1-OD1 2.63Å; H550-D635 PolarHBondContact CE1-OD1 2.84Å; H550-D635 IonicContact NE2-OD1 3.39Å; H550-D635 PolarHBondContact NE2-OD1 2.81Å; H550-D635 IonicContact NE2-OD2 3.72Å; F553-D635 WeakPolarHBondContact CE1-OD1 3.41Å; F553-D635 WeakPolarHBondContact CZ-OD1 3.33Å; G631-D635 VanDerWaalsContact O-CG 3.27Å; G631-D635 PolarHBondContact O-N 3.03Å; K632-D635 PolarHBondContact O-N 3.27Å; D635-A638 PolarHBondContact O-N 2.93Å; D635-S639 VanDerWaalsContact O-CB 3.3Å; D635-S639 WeakPolarHBondContact O-CB 3.46Å; D635-S639 PolarHBondContact O-N 3.01Å; D635-S639 PolarHBondContact O-OG 3.19Å
636	K	98.4	Very high	95.5	Very high	72 Å²	72	40 Å²	40	31%	0.313	23%	0.234	S	C	.	.	H	α-helix	trans	-60.7	-50.6	176.3	176.6	53.5	-175.4	154.8	0	111	V622 L624 K632 A633 A634 A638 S639 D640	V622-K636 HydrophobicContact CG1-CG 4.19Å; L624-K636 HydrophobicContact CD2-CB 4.43Å; L624-K636 HydrophobicContact CD2-CG 4.18Å; K632-K636 PolarHBondContact O-N 2.92Å; K632-K636 VanDerWaalsContact O-N 3.07Å; A633-K636 PolarHBondContact O-N 3.18Å; A634-K636 VanDerWaalsContact C-N 3.29Å; A634-K636 PolarHBondContact O-N 3.33Å; K636-A638 VanDerWaalsContact C-N 3.34Å; K636-A638 PolarHBondContact O-N 3.22Å; K636-S639 PolarHBondContact O-N 3.37Å; K636-S639 PolarHBondContact O-OG 3.45Å; K636-D640 WeakPolarHBondContact CE-OD2 3.31Å; K636-D640 IonicContact NZ-OD1 3.89Å; K636-D640 PolarHBondContact NZ-OD1 3.43Å; K636-D640 IonicContact NZ-OD2 3.88Å; K636-D640 PolarHBondContact NZ-OD2 3.41Å; K636-D640 PolarHBondContact O-N 3.07Å
637	I	98.8	Very high	95.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.2	-45.1	177.8	-66.3	167.6	0	0	0	111.2	V570 Y600 L624 A633 A634 S639 D640 I642 L645 I659 P664	V570-I637 HydrophobicContact CG2-CD1 4.34Å; Y600-I637 HydrophobicContact CD1-CG1 3.89Å; Y600-I637 HydrophobicContact CD2-CG1 4.28Å; Y600-I637 HydrophobicContact CE1-CG1 3.74Å; Y600-I637 HydrophobicContact CE2-CG1 4.12Å; Y600-I637 HydrophobicContact CE2-CG2 4.45Å; Y600-I637 HydrophobicContact CG-CD1 4.5Å; Y600-I637 HydrophobicContact CG-CG1 4.16Å; L624-I637 HydrophobicContact CD1-CD1 4.07Å; L624-I637 HydrophobicContact CD1-CG1 4.33Å; A633-I637 WeakPolarHBondContact O-CG1 3.46Å; A633-I637 PolarHBondContact O-N 3.42Å; A634-I637 PolarHBondContact O-N 3.17Å; I637-S639 VanDerWaalsContact C-N 3.35Å; I637-S639 PolarHBondContact O-N 3.18Å; I637-D640 PolarHBondContact O-N 3.46Å; I637-I642 HydrophobicContact CG2-CB 4.29Å; I637-I642 HydrophobicContact CG2-CG1 3.95Å; I637-L645 HydrophobicContact CD1-CD1 4.5Å; I637-L645 HydrophobicContact CD1-CD2 4.4Å; I637-L645 HydrophobicContact CG2-CD1 3.71Å; I637-L645 HydrophobicContact CG2-CD2 4.01Å; I637-L645 HydrophobicContact CG2-CG 4.49Å; I637-I659 HydrophobicContact CD1-CG2 3.62Å; I637-P664 HydrophobicContact CB-CB 4.07Å; I637-P664 HydrophobicContact CB-CG 4.25Å; I637-P664 HydrophobicContact CG2-CB 3.94Å; I637-P664 HydrophobicContact CG2-CG 3.98Å
638	A	98.4	Very high	96.2	Very high	25 Å²	25	34.4 Å²	34.4	21%	0.207	19%	0.188	C	C	.	.	H	α-helix	trans	-64.7	-38.3	178.9	0	0	0	0	0	112.2	F553 A634 D635 K636 D640 G641 P664	F553-A638 HydrophobicContact CD1-CB 3.43Å; F553-A638 VanDerWaalsContact CD1-CB 3.43Å; F553-A638 HydrophobicContact CE1-CB 3.32Å; F553-A638 HydrophobicContact CE2-CB 4.49Å; F553-A638 HydrophobicContact CG-CB 4.09Å; F553-A638 HydrophobicContact CZ-CB 3.88Å; A634-A638 WeakPolarHBondContact O-CB 3.33Å; A634-A638 PolarHBondContact O-N 3.5Å; D635-A638 PolarHBondContact O-N 2.93Å; K636-A638 VanDerWaalsContact C-N 3.34Å; K636-A638 PolarHBondContact O-N 3.22Å; A638-D640 PolarHBondContact O-N 2.88Å; A638-G641 PolarHBondContact O-N 3.09Å; A638-P664 HydrophobicContact CB-CB 4.07Å
639	S	97.9	Very high	96.9	Very high	85 Å²	85	27.5 Å²	27.5	59%	0.594	16%	0.156	S	C	*	.	H	α-helix	trans	-65.3	-27.3	177.1	75.2	0	0	0	0	113.3	D635 K636 I637 G641	D635-S639 VanDerWaalsContact O-CB 3.3Å; D635-S639 WeakPolarHBondContact O-CB 3.46Å; D635-S639 PolarHBondContact O-N 3.01Å; D635-S639 PolarHBondContact O-OG 3.19Å; K636-S639 PolarHBondContact O-N 3.37Å; K636-S639 PolarHBondContact O-OG 3.45Å; I637-S639 VanDerWaalsContact C-N 3.35Å; I637-S639 PolarHBondContact O-N 3.18Å; S639-G641 PolarHBondContact O-N 3.34Å
640	D	98	Very high	97.3	Very high	22 Å²	22	24.9 Å²	24.9	12%	0.118	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-8.9	174.3	-63.9	-27.9	0	0	0	112	R566 F598 Y600 K636 I637 A638 I642	R566-D640 WeakPolarHBondContact CD-O 3.45Å; R566-D640 PolarHBondContact NH1-O 3.13Å; F598-D640 HydrophobicContact CD1-CB 4.2Å; F598-D640 HydrophobicContact CE1-CB 3.86Å; F598-D640 HydrophobicContact CZ-CB 4.34Å; Y600-D640 WeakPolarHBondContact CE1-OD2 3.46Å; Y600-D640 VanDerWaalsContact OH-CB 3.27Å; Y600-D640 WeakPolarHBondContact OH-CB 3.48Å; Y600-D640 PolarHBondContact OH-OD2 3.12Å; K636-D640 WeakPolarHBondContact CE-OD2 3.31Å; K636-D640 IonicContact NZ-OD1 3.89Å; K636-D640 PolarHBondContact NZ-OD1 3.43Å; K636-D640 IonicContact NZ-OD2 3.88Å; K636-D640 PolarHBondContact NZ-OD2 3.41Å; K636-D640 PolarHBondContact O-N 3.07Å; I637-D640 PolarHBondContact O-N 3.46Å; A638-D640 PolarHBondContact O-N 2.88Å; D640-I642 HydrophobicContact CB-CD1 4.26Å; D640-I642 HydrophobicContact CB-CG1 4.37Å
641	G	96.7	Very high	97.5	Very high	28 Å²	28	22.9 Å²	22.9	29%	0.289	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	39.7	175.1	0	0	0	0	0	113.5	R566 A638 S639	R566-G641 VanDerWaalsContact CD-O 3.24Å; R566-G641 WeakPolarHBondContact CD-O 3.36Å; A638-G641 PolarHBondContact O-N 3.09Å; S639-G641 PolarHBondContact O-N 3.34Å
642	I	98.4	Very high	97.6	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.015	13%	0.134	C	C	.	.			trans	-64.3	132	178.4	-56.9	-53.9	0	0	0	110.6	R566 F598 Y600 I637 D640 I644 L645 A665 P666	R566-I642 HydrophobicContact CB-CD1 4.25Å; F598-I642 HydrophobicContact CB-CD1 3.85Å; F598-I642 HydrophobicContact CD1-CD1 4.19Å; F598-I642 HydrophobicContact CD2-CD1 3.38Å; F598-I642 HydrophobicContact CE2-CD1 3.92Å; F598-I642 HydrophobicContact CG-CD1 3.55Å; Y600-I642 HydrophobicContact CE2-CD1 4.24Å; Y600-I642 HydrophobicContact CE2-CG1 4.1Å; Y600-I642 WeakPolarHBondContact OH-CD1 3.38Å; Y600-I642 WeakPolarHBondContact OH-CG1 3.44Å; I637-I642 HydrophobicContact CG2-CB 4.29Å; I637-I642 HydrophobicContact CG2-CG1 3.95Å; D640-I642 HydrophobicContact CB-CD1 4.26Å; D640-I642 HydrophobicContact CB-CG1 4.37Å; I642-I644 VanDerWaalsContact CG2-O 3.25Å; I642-I644 WeakPolarHBondContact CG2-O 3.46Å; I642-L645 HydrophobicContact CG2-CB 4.13Å; I642-L645 HydrophobicContact CG2-CD1 4.04Å; I642-A665 HydrophobicContact CB-CB 4.38Å; I642-A665 HydrophobicContact CG2-CB 4.24Å; I642-P666 VanDerWaalsContact O-CD 3.26Å; I642-P666 WeakPolarHBondContact O-CD 3.3Å
643	H	98.5	Very high	97.5	Very high	20 Å²	20	26.8 Å²	26.8	9%	0.093	15%	0.147	C	C	.	.	S	Bend	trans	-92.2	-42.4	178.3	-57.4	91.3	0	0	0	111.3	L559 L565 R566 P666 I667 W1040	L559-H643 WeakPolarHBondContact CD1-NE2 3.37Å; L565-H643 HydrophobicContact CD1-CB 3.67Å; R566-H643 VanDerWaalsContact CB-ND1 3.31Å; R566-H643 WeakPolarHBondContact CB-ND1 3.4Å; R566-H643 PolarHBondContact N-ND1 3.15Å; R566-H643 WeakPolarHBondContact O-CB 3.24Å; R566-H643 PolarHBondContact O-N 3.48Å; H643-P666 WeakPolarHBondContact O-CD 3.32Å; H643-P666 VanDerWaalsContact O-CG 3.3Å; H643-P666 WeakPolarHBondContact O-CG 3.43Å; H643-I667 PolarHBondContact O-N 3.2Å; H643-W1040 HydrophobicContact CB-CE3 3.9Å; H643-W1040 HydrophobicContact CB-CH2 4.32Å; H643-W1040 HydrophobicContact CB-CZ3 3.68Å; H643-W1040 AromaticContact CD2-CH2 3.52Å; H643-W1040 AromaticContact CD2-CZ2 3.98Å; H643-W1040 AromaticContact CD2-CZ3 3.81Å
644	I	98.8	Very high	97.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118.2	176.9	-60.5	169.1	0	0	0	108.4	L565 R566 I567 G568 I642 L646 I667 Y1036 M1039	L565-I644 HydrophobicContact CD2-CD1 4.02Å; R566-I644 PolarHBondContact O-N 3.46Å; I567-I644 WeakPolarHBondContact CA-O 3.48Å; I567-I644 HydrophobicContact CD1-CB 3.75Å; I567-I644 HydrophobicContact CD1-CD1 3.84Å; I567-I644 HydrophobicContact CD1-CG1 4.17Å; G568-I644 PolarHBondContact N-O 2.95Å; I642-I644 VanDerWaalsContact CG2-O 3.25Å; I642-I644 WeakPolarHBondContact CG2-O 3.46Å; I644-L646 HydrophobicContact CG2-CD2 3.83Å; I644-L646 HydrophobicContact CG2-CG 4.35Å; I644-I667 WeakPolarHBondContact CA-O 3.42Å; I644-I667 HydrophobicContact CD1-CD1 4.48Å; I644-I667 HydrophobicContact CG1-CB 4.04Å; I644-I667 HydrophobicContact CG1-CD1 4.03Å; I644-I667 HydrophobicContact CG1-CG2 4.31Å; I644-I667 HydrophobicContact CG2-CG2 4.38Å; I644-Y1036 HydrophobicContact CD1-CD1 4.2Å; I644-Y1036 HydrophobicContact CD1-CG 4.19Å; I644-Y1036 WeakPolarHBondContact CD1-O 3.06Å; I644-Y1036 HydrophobicContact CG2-CD1 4.38Å; I644-M1039 HydrophobicContact CD1-CB 4.11Å; I644-M1039 HydrophobicContact CD1-SD 4.48Å; I644-M1039 HydrophobicContact CG2-SD 4.47Å
645	L	98.9	Very high	97.1	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.9	179.4	-168.8	72.7	0	0	0	110.8	G568 V570 Y600 I637 I642 F660 P664 A665 I667 Q668 A669	G568-L645 CarbonylContact O-C 3.55Å; G568-L645 WeakPolarHBondContact O-CA 3.41Å; V570-L645 HydrophobicContact CG2-CD1 3.5Å; V570-L645 VanDerWaalsContact CG2-CD1 3.5Å; V570-L645 HydrophobicContact CG2-CD2 4.32Å; V570-L645 HydrophobicContact CG2-CG 3.91Å; Y600-L645 HydrophobicContact CD2-CD1 4.41Å; Y600-L645 HydrophobicContact CE2-CD1 4.34Å; I637-L645 HydrophobicContact CD1-CD1 4.5Å; I637-L645 HydrophobicContact CD1-CD2 4.4Å; I637-L645 HydrophobicContact CG2-CD1 3.71Å; I637-L645 HydrophobicContact CG2-CD2 4.01Å; I637-L645 HydrophobicContact CG2-CG 4.49Å; I642-L645 HydrophobicContact CG2-CB 4.13Å; I642-L645 HydrophobicContact CG2-CD1 4.04Å; L645-F660 HydrophobicContact CB-CE1 4.48Å; L645-F660 HydrophobicContact CD2-CD1 3.79Å; L645-F660 HydrophobicContact CD2-CE1 3.56Å; L645-F660 HydrophobicContact CD2-CZ 4.35Å; L645-F660 HydrophobicContact CG-CD1 4.37Å; L645-F660 HydrophobicContact CG-CE1 3.71Å; L645-F660 HydrophobicContact CG-CZ 4.43Å; L645-P664 HydrophobicContact CD2-CG 3.86Å; L645-A665 HydrophobicContact CB-CB 3.58Å; L645-A665 HydrophobicContact CD2-CB 4.45Å; L645-I667 PolarHBondContact N-O 2.84Å; L645-Q668 HydrophobicContact CB-CG 4.43Å; L645-Q668 CarbonylContact O-C 3.59Å; L645-Q668 VanDerWaalsContact O-CA 3.26Å; L645-Q668 WeakPolarHBondContact O-CA 3.36Å; L645-A669 PolarHBondContact O-N 3.32Å
646	L	98.9	Very high	96.9	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121	-171.6	-57.7	173.9	0	0	0	110.4	I567 G568 Y569 V570 I644 A669 W671 I687 Y1036	I567-L646 HydrophobicContact CG2-CD1 3.84Å; I567-L646 HydrophobicContact CG2-CG 4.48Å; G568-L646 PolarHBondContact O-N 3.3Å; Y569-L646 HydrophobicContact CD1-CB 4.18Å; Y569-L646 HydrophobicContact CD1-CD1 3.57Å; Y569-L646 HydrophobicContact CD1-CG 4.47Å; Y569-L646 HydrophobicContact CE1-CD1 3.23Å; Y569-L646 HydrophobicContact CE1-CG 4.5Å; Y569-L646 HydrophobicContact CG-CD1 4.38Å; V570-L646 PolarHBondContact N-O 3.35Å; I644-L646 HydrophobicContact CG2-CD2 3.83Å; I644-L646 HydrophobicContact CG2-CG 4.35Å; L646-A669 CarbonylContact C-O 3.06Å; L646-A669 VanDerWaalsContact CA-O 3.31Å; L646-A669 WeakPolarHBondContact CA-O 3.45Å; L646-A669 HydrophobicContact CD2-CB 3.73Å; L646-W671 HydrophobicContact CD1-CE3 4.43Å; L646-I687 HydrophobicContact CD2-CD1 4.13Å; L646-Y1036 HydrophobicContact CD1-CE1 3.89Å; L646-Y1036 WeakPolarHBondContact CD1-OH 3.44Å; L646-Y1036 HydrophobicContact CD2-CE1 4.25Å
647	N	98.8	Very high	96.9	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.011	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	110.3	171.1	-171	-21.9	0	0	0	109.5	N649 G650 N657 F660 A669 M670 W671 M683	N647-N649 PolarHBondContact OD1-N 3.37Å; N647-G650 PolarHBondContact OD1-N 3.37Å; N647-N657 PolarHBondContact ND2-OD1 3.27Å; N647-F660 VanDerWaalsContact CA-CZ 3.44Å; N647-F660 HydrophobicContact CB-CD1 4.35Å; N647-F660 HydrophobicContact CB-CD2 4.44Å; N647-F660 HydrophobicContact CB-CE1 3.69Å; N647-F660 HydrophobicContact CB-CE2 3.83Å; N647-F660 HydrophobicContact CB-CZ 3.4Å; N647-A669 PolarHBondContact N-O 3.36Å; N647-M670 HydrophobicContact CB-SD 3.69Å; N647-W671 PolarHBondContact O-N 2.93Å; N647-M683 HydrophobicContact CB-SD 4.32Å
648	M	98.4	Very high	96.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-101.3	7.2	179	-59	179.5	69.3	0	0	113.5	Y569 V570 F574 T579 M583 W671 L672 G673	Y569-M648 HydrophobicContact CD1-SD 3.69Å; Y569-M648 HydrophobicContact CG-SD 4.21Å; V570-M648 WeakPolarHBondContact O-CB 3.48Å; V570-M648 PolarHBondContact O-N 3.07Å; V570-M648 VanDerWaalsContact O-N 3.1Å; F574-M648 HydrophobicContact CE1-CE 4.46Å; F574-M648 HydrophobicContact CE1-SD 4.09Å; F574-M648 HydrophobicContact CZ-SD 4.15Å; T579-M648 HydrophobicContact CG2-CE 3.57Å; M583-M648 HydrophobicContact CE-CE 3.54Å; M583-M648 HydrophobicContact CE-SD 4.24Å; M583-M648 HydrophobicContact CG-CE 3.86Å; M583-M648 HydrophobicContact SD-CE 3.77Å; M648-W671 WeakPolarHBondContact CA-O 3.48Å; M648-W671 HydrophobicContact CE-CE3 4.07Å; M648-W671 HydrophobicContact CE-CZ3 3.75Å; M648-W671 HydrophobicContact CG-CE3 4.19Å; M648-W671 HydrophobicContact SD-CE3 4.25Å; M648-W671 HydrophobicContact SD-CZ3 4.17Å; M648-L672 HydrophobicContact CE-CD2 4.35Å; M648-G673 VanDerWaalsContact O-CA 3.24Å; M648-G673 WeakPolarHBondContact O-CA 3.49Å
649	N	97.8	Very high	96.8	Very high	1 Å²	1	25 Å²	25	1%	0.005	15%	0.148	C	C	.	.			trans	-112.4	-38.3	177.2	-67.8	119.3	0	0	0	112.9	S571 S572 D573 N647 Y651 T652 A655 Y674	S571-N649 VanDerWaalsContact CA-OD1 3.27Å; S571-N649 WeakPolarHBondContact CA-OD1 3.38Å; S572-N649 PolarHBondContact N-ND2 2.83Å; S572-N649 PolarHBondContact N-OD1 2.94Å; S572-N649 PolarHBondContact OG-ND2 3.35Å; D573-N649 PolarHBondContact OD2-ND2 3Å; N647-N649 PolarHBondContact OD1-N 3.37Å; N649-Y651 PolarHBondContact O-N 2.68Å; N649-T652 WeakPolarHBondContact O-CB 3.3Å; N649-T652 WeakPolarHBondContact O-CG2 3.34Å; N649-T652 PolarHBondContact O-N 3.03Å; N649-T652 PolarHBondContact O-OG1 3.49Å; N649-A655 HydrophobicContact CB-CB 3.68Å; N649-Y674 WeakPolarHBondContact O-CB 3.41Å
650	G	96.6	Very high	96.8	Very high	1 Å²	1	21 Å²	21	1%	0.01	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	-109.8	-170.1	0	0	0	0	0	112.2	N647 A655 N657	N647-G650 PolarHBondContact OD1-N 3.37Å; G650-A655 WeakPolarHBondContact O-CB 3.16Å; G650-N657 PolarHBondContact O-ND2 3.03Å; G650-N657 PolarHBondContact O-OD1 2.99Å
651	Y	96.8	Very high	96.8	Very high	10 Å²	10	20.5 Å²	20.5	4%	0.039	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	28.4	177.5	-68.5	-66.8	0	0	0	113.2	H516 P517 H518 A534 H537 A538 N649 N657 Y674 S678	H516-Y651 PolarHBondContact CE1-O 2.85Å; P517-Y651 HydrophobicContact CB-CD1 4.38Å; P517-Y651 HydrophobicContact CB-CD2 3.47Å; P517-Y651 VanDerWaalsContact CB-CD2 3.47Å; P517-Y651 HydrophobicContact CB-CE2 4.03Å; P517-Y651 HydrophobicContact CB-CG 3.66Å; P517-Y651 HydrophobicContact CG-CD1 3.91Å; P517-Y651 HydrophobicContact CG-CD2 3.74Å; P517-Y651 HydrophobicContact CG-CE1 4.16Å; P517-Y651 HydrophobicContact CG-CE2 3.96Å; P517-Y651 HydrophobicContact CG-CG 3.7Å; H518-Y651 WeakPolarHBondContact CB-O 3.44Å; A534-Y651 HydrophobicContact CB-CE2 3.9Å; A534-Y651 PolarHBondContact O-OH 2.91Å; H537-Y651 HydrophobicContact CB-CD1 4.43Å; H537-Y651 HydrophobicContact CB-CE1 3.57Å; A538-Y651 PolarHBondContact N-OH 3.05Å; N649-Y651 PolarHBondContact O-N 2.68Å; Y651-N657 WeakPolarHBondContact CE1-ND2 3.44Å; Y651-Y674 HydrophobicContact CD2-CD1 4.43Å; Y651-Y674 AromaticContact CD2-CE1 3.75Å; Y651-Y674 HydrophobicContact CD2-CE1 3.75Å; Y651-Y674 AromaticContact CD2-CZ 3.95Å; Y651-S678 WeakPolarHBondContact CE2-O 3.48Å; Y651-S678 PolarHBondContact OH-O 3.04Å
652	T	94.1	Very high	96.9	Very high	27 Å²	27	20.1 Å²	20.1	17%	0.166	11%	0.11	C	C	.	.	S	Bend	trans	-83.1	172.1	167.7	66.3	0	0	0	0	111.4	N649 A655 Y674	N649-T652 WeakPolarHBondContact O-CB 3.3Å; N649-T652 WeakPolarHBondContact O-CG2 3.34Å; N649-T652 PolarHBondContact O-N 3.03Å; N649-T652 PolarHBondContact O-OG1 3.49Å; T652-A655 WeakPolarHBondContact O-CB 3.45Å; T652-A655 PolarHBondContact O-N 3.2Å; T652-Y674 HydrophobicContact CG2-CD2 4.35Å
653	K	90.1	Very high	96.9	Very high	198 Å²	198	24.2 Å²	24.2	86%	0.861	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	138.5	179.3	-174	178.6	179.8	-179.3	0	109.8	S572 A655	S572-K653 PolarHBondContact OG-O 2.91Å; K653-A655 VanDerWaalsContact C-N 3.32Å
654	G	91.1	Very high	96.9	Very high	40 Å²	40	23.2 Å²	23.2	41%	0.412	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	-4.2	179.7	0	0	0	0	0	114.7
655	A	94.7	Very high	96.8	Very high	28 Å²	28	23.4 Å²	23.4	23%	0.231	12%	0.124	C	C	.	.			trans	-59.7	141	172.8	0	0	0	0	0	111.9	N649 G650 T652 K653	N649-A655 HydrophobicContact CB-CB 3.68Å; G650-A655 WeakPolarHBondContact O-CB 3.16Å; T652-A655 WeakPolarHBondContact O-CB 3.45Å; T652-A655 PolarHBondContact O-N 3.2Å; K653-A655 VanDerWaalsContact C-N 3.32Å
656	R	95.4	Very high	96.8	Very high	26 Å²	26	24.2 Å²	24.2	10%	0.098	13%	0.13	C	C	.	.			trans	-126.2	66.1	174.8	-67	176	66.1	-168.6	1.3	109.9	L602 L624 I627 Q628 E658 I659	L602-R656 HydrophobicContact CD1-CB 3.95Å; L602-R656 HydrophobicContact CD1-CG 4.05Å; L624-R656 PolarHBondContact O-NH1 3.43Å; I627-R656 VanDerWaalsContact O-CZ 3.3Å; I627-R656 PolarHBondContact O-NH1 3.49Å; I627-R656 PolarHBondContact O-NH2 3.43Å; Q628-R656 PolarHBondContact O-NH2 3.47Å; R656-E658 PolarHBondContact O-N 3.24Å; R656-E658 VanDerWaalsContact O-N 3.14Å; R656-I659 HydrophobicContact CB-CD1 3.77Å; R656-I659 HydrophobicContact CB-CG1 4.13Å; R656-I659 WeakPolarHBondContact O-CB 3.44Å; R656-I659 PolarHBondContact O-N 3.25Å
657	N	97.9	Very high	96.8	Very high	13 Å²	13	24.3 Å²	24.3	7%	0.07	13%	0.13	C	C	.	.	H	α-helix	trans	-63.2	-18.9	-174.4	-70.7	-35.8	0	0	0	113.4	N647 G650 Y651 I659 F660 A661	N647-N657 PolarHBondContact ND2-OD1 3.27Å; G650-N657 PolarHBondContact O-ND2 3.03Å; G650-N657 PolarHBondContact O-OD1 2.99Å; Y651-N657 WeakPolarHBondContact CE1-ND2 3.44Å; N657-I659 PolarHBondContact O-N 3.42Å; N657-F660 PolarHBondContact O-N 2.99Å; N657-F660 VanDerWaalsContact O-N 3.12Å; N657-A661 PolarHBondContact O-N 3.07Å
658	E	95.9	Very high	96.8	Very high	21 Å²	21	24.3 Å²	24.3	10%	0.098	13%	0.13	C	C	.	.	H	α-helix	trans	-58.1	-34.5	170.2	-64.8	82.8	-179.9	0	0	112.4	C541 K544 V545 H630 R656 F660 A661 L662	C541-E658 HydrophobicContact CB-CG 4.22Å; K544-E658 HydrophobicContact CB-CG 4.42Å; K544-E658 HydrophobicContact CD-CG 4.36Å; K544-E658 IonicContact NZ-OE1 2.84Å; V545-E658 HydrophobicContact CG1-CB 3.66Å; V545-E658 HydrophobicContact CG1-CG 4.13Å; V545-E658 WeakPolarHBondContact CG1-O 3.43Å; H630-E658 HydrophobicContact CB-CB 3.91Å; H630-E658 IonicContact CE1-OE2 3.68Å; H630-E658 IonicContact NE2-OE2 3.77Å; R656-E658 PolarHBondContact O-N 3.24Å; R656-E658 VanDerWaalsContact O-N 3.14Å; E658-F660 VanDerWaalsContact C-N 3.28Å; E658-F660 PolarHBondContact O-N 3.49Å; E658-A661 PolarHBondContact O-N 3.29Å; E658-L662 PolarHBondContact O-N 2.95Å
659	I	98.2	Very high	96.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.9	-43.6	175.3	-63.7	174.3	0	0	0	109.8	L602 H630 A633 A634 I637 R656 N657 L662 P664	L602-I659 HydrophobicContact CD2-CD1 4.04Å; H630-I659 HydrophobicContact CB-CG1 4.41Å; A633-I659 HydrophobicContact CB-CD1 3.74Å; A633-I659 HydrophobicContact CB-CG1 4.07Å; A634-I659 HydrophobicContact CB-CG2 4.34Å; I637-I659 HydrophobicContact CD1-CG2 3.62Å; R656-I659 HydrophobicContact CB-CD1 3.77Å; R656-I659 HydrophobicContact CB-CG1 4.13Å; R656-I659 WeakPolarHBondContact O-CB 3.44Å; R656-I659 PolarHBondContact O-N 3.25Å; N657-I659 PolarHBondContact O-N 3.42Å; I659-L662 PolarHBondContact O-N 3.21Å; I659-P664 HydrophobicContact CG2-CG 4.31Å; I659-P664 WeakPolarHBondContact O-CD 3.45Å
660	F	98.7	Very high	96.9	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.009	13%	0.13	C	C	.	.	H	α-helix	trans	-75.3	-30	179.4	-67.4	-85.3	0	0	0	113.2	V570 L645 N647 N657 E658 L662 K663 Q668 F682 M683	V570-F660 HydrophobicContact CB-CE2 4.28Å; V570-F660 HydrophobicContact CB-CZ 3.77Å; V570-F660 HydrophobicContact CG1-CE2 4.31Å; V570-F660 HydrophobicContact CG1-CZ 4.29Å; V570-F660 HydrophobicContact CG2-CE1 4.47Å; V570-F660 HydrophobicContact CG2-CZ 3.87Å; L645-F660 HydrophobicContact CB-CE1 4.48Å; L645-F660 HydrophobicContact CD2-CD1 3.79Å; L645-F660 HydrophobicContact CD2-CE1 3.56Å; L645-F660 HydrophobicContact CD2-CZ 4.35Å; L645-F660 HydrophobicContact CG-CD1 4.37Å; L645-F660 HydrophobicContact CG-CE1 3.71Å; L645-F660 HydrophobicContact CG-CZ 4.43Å; N647-F660 VanDerWaalsContact CA-CZ 3.44Å; N647-F660 HydrophobicContact CB-CD1 4.35Å; N647-F660 HydrophobicContact CB-CD2 4.44Å; N647-F660 HydrophobicContact CB-CE1 3.69Å; N647-F660 HydrophobicContact CB-CE2 3.83Å; N647-F660 HydrophobicContact CB-CZ 3.4Å; N657-F660 PolarHBondContact O-N 2.99Å; N657-F660 VanDerWaalsContact O-N 3.12Å; E658-F660 VanDerWaalsContact C-N 3.28Å; E658-F660 PolarHBondContact O-N 3.49Å; F660-L662 PolarHBondContact O-N 3.49Å; F660-K663 WeakPolarHBondContact O-CA 3.47Å; F660-K663 PolarHBondContact O-N 3.46Å; F660-Q668 HydrophobicContact CD1-CB 4.44Å; F660-Q668 PolarHBondContact O-NE2 3.36Å; F660-F682 HydrophobicContact CB-CD2 3.92Å; F660-F682 HydrophobicContact CB-CE2 3.93Å; F660-M683 HydrophobicContact CB-CE 3.43Å; F660-M683 VanDerWaalsContact CB-CE 3.43Å; F660-M683 HydrophobicContact CD1-CE 3.5Å; F660-M683 VanDerWaalsContact CD1-CE 3.5Å; F660-M683 HydrophobicContact CD1-SD 4.41Å; F660-M683 HydrophobicContact CE1-CE 4.42Å; F660-M683 HydrophobicContact CG-CE 3.71Å
661	A	98.3	Very high	96.9	Very high	10 Å²	10	24.5 Å²	24.5	8%	0.083	13%	0.131	C	C	.	.	H	α-helix	trans	-62.8	-29.7	173.8	0	0	0	0	0	112	C541 L542 V545 N657 E658 K663 F682	C541-A661 HydrophobicContact CB-CB 4.3Å; L542-A661 HydrophobicContact CD2-CB 4.15Å; V545-A661 HydrophobicContact CG1-CB 4.25Å; V545-A661 HydrophobicContact CG2-CB 3.98Å; N657-A661 PolarHBondContact O-N 3.07Å; E658-A661 PolarHBondContact O-N 3.29Å; A661-K663 PolarHBondContact O-N 3.29Å; A661-F682 HydrophobicContact CB-CD1 3.99Å; A661-F682 HydrophobicContact CB-CE1 3.78Å; A661-F682 HydrophobicContact CB-CG 4.43Å; A661-F682 HydrophobicContact CB-CZ 4.08Å
662	L	97.9	Very high	96.8	Very high	20 Å²	20	24.5 Å²	24.5	11%	0.105	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-10.1	172.1	-69.9	166.9	0	0	0	113.8	V545 H550 F553 A634 E658 I659 F660	V545-L662 HydrophobicContact CB-CD2 3.89Å; V545-L662 HydrophobicContact CB-CG 4.08Å; V545-L662 HydrophobicContact CG1-CD1 4.44Å; V545-L662 HydrophobicContact CG1-CD2 4.34Å; V545-L662 HydrophobicContact CG1-CG 3.99Å; V545-L662 HydrophobicContact CG2-CD2 4.4Å; H550-L662 HydrophobicContact CB-CD2 3.67Å; F553-L662 VanDerWaalsContact CD2-O 3.3Å; F553-L662 WeakPolarHBondContact CD2-O 3.46Å; F553-L662 HydrophobicContact CE2-CB 4.33Å; A634-L662 HydrophobicContact CB-CB 3.96Å; A634-L662 HydrophobicContact CB-CD1 3.66Å; A634-L662 HydrophobicContact CB-CG 4.48Å; E658-L662 PolarHBondContact O-N 2.95Å; I659-L662 PolarHBondContact O-N 3.21Å; F660-L662 PolarHBondContact O-N 3.49Å
663	K	98.1	Very high	96.7	Very high	89 Å²	89	24 Å²	24	39%	0.387	13%	0.132	S	C	.	.			trans	50.4	61.7	179.3	-61.7	-172.3	171.8	-164.1	0	114.3	F553 F555 F660 A661 A665 T681 F682	F553-K663 WeakPolarHBondContact CD2-O 3.39Å; F555-K663 WeakPolarHBondContact CZ-O 3.45Å; F660-K663 WeakPolarHBondContact O-CA 3.47Å; F660-K663 PolarHBondContact O-N 3.46Å; A661-K663 PolarHBondContact O-N 3.29Å; K663-A665 PolarHBondContact O-N 3.33Å; K663-T681 PolarHBondContact NZ-O 3.39Å; K663-T681 VanDerWaalsContact NZ-O 3.13Å; K663-F682 HydrophobicContact CD-CB 4.36Å; K663-F682 VanDerWaalsContact CE-CA 3.45Å; K663-F682 HydrophobicContact CG-CB 4.04Å
664	P	98.5	Very high	97	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.094	C	C	.	.			trans	-73	-3.6	177.7	30.2	-37.5	0	0	0	115.1	F553 F555 A634 I637 A638 L645 I659	F553-P664 HydrophobicContact CD2-CB 4.24Å; F553-P664 HydrophobicContact CE2-CB 3.94Å; F553-P664 HydrophobicContact CZ-CB 4.4Å; F555-P664 WeakPolarHBondContact CE1-O 3.43Å; F555-P664 VanDerWaalsContact CZ-C 3.48Å; A634-P664 HydrophobicContact CB-CB 4.1Å; A634-P664 HydrophobicContact CB-CG 4.19Å; A634-P664 WeakPolarHBondContact O-CB 3.4Å; I637-P664 HydrophobicContact CB-CB 4.07Å; I637-P664 HydrophobicContact CB-CG 4.25Å; I637-P664 HydrophobicContact CG2-CB 3.94Å; I637-P664 HydrophobicContact CG2-CG 3.98Å; A638-P664 HydrophobicContact CB-CB 4.07Å; L645-P664 HydrophobicContact CD2-CG 3.86Å; I659-P664 HydrophobicContact CG2-CG 4.31Å; I659-P664 WeakPolarHBondContact O-CD 3.45Å
665	A	98.7	Very high	97.2	Very high	3 Å²	3	14.3 Å²	14.3	3%	0.025	8%	0.08	C	C	.	.	S	Bend	trans	-133.2	152.3	174.4	0	0	0	0	0	110.9	I642 L645 K663 I667	I642-A665 HydrophobicContact CB-CB 4.38Å; I642-A665 HydrophobicContact CG2-CB 4.24Å; L645-A665 HydrophobicContact CB-CB 3.58Å; L645-A665 HydrophobicContact CD2-CB 4.45Å; K663-A665 PolarHBondContact O-N 3.33Å; A665-I667 VanDerWaalsContact C-N 3.35Å; A665-I667 PolarHBondContact O-N 2.96Å
666	P	97.7	Very high	97.3	Very high	18 Å²	18	13.5 Å²	13.5	12%	0.117	7%	0.074	C	C	.	.	S	Bend	trans	-69.4	-29.9	-178	23.8	-29.4	0	0	0	113.7	F555 I642 H643 W1040 Y1043	F555-P666 HydrophobicContact CB-CB 3.89Å; F555-P666 HydrophobicContact CB-CG 4.25Å; F555-P666 HydrophobicContact CD1-CB 4.38Å; F555-P666 HydrophobicContact CD1-CG 4.27Å; F555-P666 HydrophobicContact CD2-CB 3.84Å; F555-P666 HydrophobicContact CG-CB 3.76Å; F555-P666 HydrophobicContact CG-CG 4.1Å; I642-P666 VanDerWaalsContact O-CD 3.26Å; I642-P666 WeakPolarHBondContact O-CD 3.3Å; H643-P666 WeakPolarHBondContact O-CD 3.32Å; H643-P666 VanDerWaalsContact O-CG 3.3Å; H643-P666 WeakPolarHBondContact O-CG 3.43Å; P666-W1040 HydrophobicContact CG-CH2 4.39Å; P666-W1040 HydrophobicContact CG-CZ3 3.87Å; P666-Y1043 HydrophobicContact CB-CD2 4.19Å; P666-Y1043 HydrophobicContact CB-CE1 4Å; P666-Y1043 HydrophobicContact CB-CE2 3.5Å; P666-Y1043 VanDerWaalsContact CB-CE2 3.5Å; P666-Y1043 WeakPolarHBondContact CB-OH 3.46Å
667	I	98.7	Very high	97.4	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.4	173.3	-55.3	176.5	0	0	0	108.2	H643 I644 L645 A665 D684 Y685 M1039 W1040 Y1043	H643-I667 PolarHBondContact O-N 3.2Å; I644-I667 WeakPolarHBondContact CA-O 3.42Å; I644-I667 HydrophobicContact CD1-CD1 4.48Å; I644-I667 HydrophobicContact CG1-CB 4.04Å; I644-I667 HydrophobicContact CG1-CD1 4.03Å; I644-I667 HydrophobicContact CG1-CG2 4.31Å; I644-I667 HydrophobicContact CG2-CG2 4.38Å; L645-I667 PolarHBondContact N-O 2.84Å; A665-I667 VanDerWaalsContact C-N 3.35Å; A665-I667 PolarHBondContact O-N 2.96Å; I667-D684 WeakPolarHBondContact CA-OD2 3.16Å; I667-Y685 HydrophobicContact CG2-CD2 3.9Å; I667-Y685 HydrophobicContact CG2-CE2 4.19Å; I667-M1039 HydrophobicContact CD1-CB 4.12Å; I667-M1039 WeakPolarHBondContact CD1-O 3.24Å; I667-W1040 HydrophobicContact CD1-CE3 3.98Å; I667-Y1043 HydrophobicContact CD1-CG 4.13Å; I667-Y1043 HydrophobicContact CG1-CD2 4.03Å; I667-Y1043 HydrophobicContact CG1-CG 4.06Å
668	Q	98.8	Very high	97.4	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.009	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	134.3	173.1	-49.7	-171.8	127.3	0	0	110.7	L645 F660 F682 M683 D684 Y685	L645-Q668 HydrophobicContact CB-CG 4.43Å; L645-Q668 CarbonylContact O-C 3.59Å; L645-Q668 VanDerWaalsContact O-CA 3.26Å; L645-Q668 WeakPolarHBondContact O-CA 3.36Å; F660-Q668 HydrophobicContact CD1-CB 4.44Å; F660-Q668 PolarHBondContact O-NE2 3.36Å; Q668-F682 PolarHBondContact NE2-O 3.28Å; Q668-M683 HydrophobicContact CB-CE 3.54Å; Q668-M683 HydrophobicContact CB-SD 3.85Å; Q668-M683 HydrophobicContact CG-CE 4.38Å; Q668-D684 PolarHBondContact N-OD2 2.84Å; Q668-D684 PolarHBondContact O-N 2.73Å; Q668-Y685 PolarHBondContact O-N 3.31Å
669	A	98.9	Very high	97.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	148.4	-177.3	0	0	0	0	0	113.5	L645 L646 N647 Y685 I687 M1039	L645-A669 PolarHBondContact O-N 3.32Å; L646-A669 CarbonylContact C-O 3.06Å; L646-A669 VanDerWaalsContact CA-O 3.31Å; L646-A669 WeakPolarHBondContact CA-O 3.45Å; L646-A669 HydrophobicContact CD2-CB 3.73Å; N647-A669 PolarHBondContact N-O 3.36Å; A669-Y685 CarbonylContact C-O 3.52Å; A669-Y685 WeakPolarHBondContact CA-O 3.28Å; A669-Y685 WeakPolarHBondContact CB-O 3.09Å; A669-I687 HydrophobicContact CB-CG1 4.49Å; A669-M1039 HydrophobicContact CB-CE 4.46Å
670	M	98.7	Very high	97.5	Very high	3 Å²	3	12.4 Å²	12.4	2%	0.015	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	132.7	171.2	-63.7	-69.9	-65	0	0	109.9	N647 Y674 M683 Y685 I686 I687	N647-M670 HydrophobicContact CB-SD 3.69Å; M670-Y674 HydrophobicContact CE-CD1 3.82Å; M670-Y674 HydrophobicContact CE-CG 4.5Å; M670-M683 HydrophobicContact CG-CB 4.36Å; M670-M683 HydrophobicContact CG-CG 3.84Å; M670-M683 HydrophobicContact CG-SD 4.21Å; M670-M683 HydrophobicContact SD-CG 3.95Å; M670-M683 HydrophobicContact SD-SD 4.12Å; M670-Y685 PolarHBondContact N-O 2.81Å; M670-I686 HydrophobicContact CB-CB 4.25Å; M670-I686 HydrophobicContact CB-CG1 4.02Å; M670-I687 PolarHBondContact O-N 3.34Å
671	W	98.5	Very high	97.4	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.015	11%	0.107	C	C	.	.			trans	-149.9	136.4	176.9	179.4	56.5	0	0	0	113.6	Y569 M583 I586 L646 N647 M648 G673 I687 Y1028 I1032	Y569-W671 AromaticContact CD1-CE3 3.91Å; Y569-W671 HydrophobicContact CD1-CE3 3.91Å; Y569-W671 AromaticContact CD1-CZ3 3.61Å; Y569-W671 HydrophobicContact CD1-CZ3 3.61Å; Y569-W671 AromaticContact CE1-CE3 3.64Å; Y569-W671 HydrophobicContact CE1-CE3 3.64Å; Y569-W671 HydrophobicContact CE1-CH2 4.09Å; Y569-W671 AromaticContact CE1-CZ3 3.22Å; Y569-W671 HydrophobicContact CE1-CZ3 3.22Å; M583-W671 HydrophobicContact CB-CH2 4.2Å; M583-W671 HydrophobicContact CE-CH2 3.83Å; M583-W671 HydrophobicContact CE-CZ3 3.67Å; M583-W671 HydrophobicContact CG-CH2 4.42Å; I586-W671 HydrophobicContact CD1-CH2 3.98Å; I586-W671 HydrophobicContact CD1-CZ2 4.13Å; I586-W671 HydrophobicContact CG2-CH2 4.39Å; L646-W671 HydrophobicContact CD1-CE3 4.43Å; N647-W671 PolarHBondContact O-N 2.93Å; M648-W671 WeakPolarHBondContact CA-O 3.48Å; M648-W671 HydrophobicContact CE-CE3 4.07Å; M648-W671 HydrophobicContact CE-CZ3 3.75Å; M648-W671 HydrophobicContact CG-CE3 4.19Å; M648-W671 HydrophobicContact SD-CE3 4.25Å; M648-W671 HydrophobicContact SD-CZ3 4.17Å; W671-G673 VanDerWaalsContact C-N 3.31Å; W671-G673 PolarHBondContact O-N 3.36Å; W671-I687 HydrophobicContact CB-CB 4.18Å; W671-I687 HydrophobicContact CB-CD1 4.13Å; W671-I687 HydrophobicContact CB-CG1 4.46Å; W671-I687 HydrophobicContact CG-CB 4.19Å; W671-I687 HydrophobicContact CG-CD1 4.18Å; W671-I687 HydrophobicContact CG-CG2 4.41Å; W671-Y1028 AromaticContact CZ2-CE1 3.69Å; W671-Y1028 HydrophobicContact CZ2-CE1 3.69Å; W671-Y1028 WeakPolarHBondContact CZ2-OH 3.28Å; W671-Y1028 PolarHBondContact NE1-OH 3.29Å; W671-I1032 HydrophobicContact CD2-CD1 4.25Å; W671-I1032 HydrophobicContact CZ2-CD1 3.96Å
672	L	94.7	Very high	97.4	Very high	9 Å²	9	17.1 Å²	17.1	5%	0.047	10%	0.104	C	C	.	.	S	Bend	trans	65.5	-58.3	168	-166.8	66.9	0	0	0	117.3	L582 M583 M648 Y674 F713	L582-L672 HydrophobicContact CB-CD2 4.35Å; L582-L672 HydrophobicContact CD1-CD1 4.35Å; M583-L672 HydrophobicContact CB-CD2 3.76Å; M583-L672 HydrophobicContact CG-CD2 3.53Å; M648-L672 HydrophobicContact CE-CD2 4.35Å; L672-Y674 PolarHBondContact O-N 2.79Å; L672-F713 HydrophobicContact CD1-CD2 4.01Å; L672-F713 HydrophobicContact CD1-CE2 4.11Å; L672-F713 HydrophobicContact CD1-CG 4.45Å
673	G	91.5	Very high	97.5	Very high	18 Å²	18	16.5 Å²	16.5	19%	0.186	10%	0.1	C	C	.	.	S	Bend	trans	-82.4	-11.3	-163.8	0	0	0	0	0	116.5	M648 W671	M648-G673 VanDerWaalsContact O-CA 3.24Å; M648-G673 WeakPolarHBondContact O-CA 3.49Å; W671-G673 VanDerWaalsContact C-N 3.31Å; W671-G673 PolarHBondContact O-N 3.36Å
674	Y	96.3	Very high	97.5	Very high	17 Å²	17	13.8 Å²	13.8	7%	0.067	9%	0.09	C	C	.	.			trans	-132.9	119.7	173.5	178.7	-113.9	0	0	0	112	P517 H518 M521 N649 Y651 T652 M670 L672 G676	P517-Y674 WeakPolarHBondContact CB-OH 3.24Å; P517-Y674 PolarHBondContact O-OH 3.08Å; H518-Y674 HydrophobicContact CB-CE2 4.22Å; M521-Y674 HydrophobicContact CE-CE2 4.04Å; N649-Y674 WeakPolarHBondContact O-CB 3.41Å; Y651-Y674 HydrophobicContact CD2-CD1 4.43Å; Y651-Y674 AromaticContact CD2-CE1 3.75Å; Y651-Y674 HydrophobicContact CD2-CE1 3.75Å; Y651-Y674 AromaticContact CD2-CZ 3.95Å; T652-Y674 HydrophobicContact CG2-CD2 4.35Å; M670-Y674 HydrophobicContact CE-CD1 3.82Å; M670-Y674 HydrophobicContact CE-CG 4.5Å; L672-Y674 PolarHBondContact O-N 2.79Å; Y674-G676 VanDerWaalsContact C-N 3.27Å; Y674-G676 VanDerWaalsContact CD1-O 3.27Å; Y674-G676 WeakPolarHBondContact CD1-O 3.37Å; Y674-G676 VanDerWaalsContact CE1-CA 3.47Å; Y674-G676 WeakPolarHBondContact CE1-O 3.3Å; Y674-G676 PolarHBondContact O-N 3.29Å
675	P	95.3	Very high	97.5	Very high	16 Å²	16	13.8 Å²	13.8	10%	0.104	9%	0.09	C	C	.	.	S	Bend	trans	-87.7	54.4	-175.5	36.6	-37.8	0	0	0	112.3	M521 L967 A968	M521-P675 HydrophobicContact CE-CG 3.85Å; M521-P675 HydrophobicContact SD-CG 4.38Å; P675-L967 HydrophobicContact CB-CD2 3.62Å; P675-A968 HydrophobicContact CB-CB 4.03Å; P675-A968 HydrophobicContact CG-CB 4.01Å
676	G	95.8	Very high	97.5	Very high	12 Å²	12	13.9 Å²	13.9	12%	0.124	9%	0.09	C	C	.	.	S	Bend	trans	-165.6	170.3	-178.5	0	0	0	0	0	113.3	Y674	Y674-G676 VanDerWaalsContact C-N 3.27Å; Y674-G676 VanDerWaalsContact CD1-O 3.27Å; Y674-G676 WeakPolarHBondContact CD1-O 3.37Å; Y674-G676 VanDerWaalsContact CE1-CA 3.47Å; Y674-G676 WeakPolarHBondContact CE1-O 3.3Å; Y674-G676 PolarHBondContact O-N 3.29Å
677	T	98.4	Very high	97.6	Very high	10 Å²	10	13 Å²	13	6%	0.061	9%	0.085	C	C	.	.			trans	-70.4	143	175.4	-173.6	0	0	0	0	111.3	K531 A534 G679 S702 E703	K531-T677 HydrophobicContact CB-CG2 4.44Å; K531-T677 HydrophobicContact CG-CG2 4.44Å; A534-T677 HydrophobicContact CB-CG2 4.02Å; A534-T677 WeakPolarHBondContact CB-O 3.48Å; T677-G679 PolarHBondContact O-N 3.16Å; T677-G679 PolarHBondContact OG1-N 2.91Å; T677-S702 PolarHBondContact OG1-N 3.3Å; T677-S702 PolarHBondContact OG1-OG 3.4Å; T677-E703 WeakPolarHBondContact CB-OE2 3.42Å; T677-E703 PolarHBondContact OG1-OE1 2.86Å; T677-E703 PolarHBondContact OG1-OE2 3.35Å
678	S	98.3	Very high	97.5	Very high	5 Å²	5	13 Å²	13	4%	0.035	8%	0.084	C	C	.	.			trans	-67.3	-20.9	164.7	69	0	0	0	0	112.2	Y651 S680 M683 E703	Y651-S678 WeakPolarHBondContact CE2-O 3.48Å; Y651-S678 PolarHBondContact OH-O 3.04Å; S678-S680 PolarHBondContact O-N 3.24Å; S678-S680 PolarHBondContact OG-N 3.05Å; S678-S680 PolarHBondContact OG-OG 2.89Å; S678-M683 WeakPolarHBondContact OG-CB 3.49Å; S678-M683 WeakPolarHBondContact OG-CG 3.35Å; S678-E703 WeakPolarHBondContact CA-OE1 3.48Å; S678-E703 WeakPolarHBondContact CB-OE1 3.46Å; S678-E703 PolarHBondContact N-OE1 3.46Å; S678-E703 PolarHBondContact OG-OE1 3.43Å
679	G	98.2	Very high	97.5	Very high	15 Å²	15	13 Å²	13	16%	0.155	8%	0.084	C	C	.	.			trans	63.9	7	-174.5	0	0	0	0	0	114.1	G535 T677 S702	G535-G679 VanDerWaalsContact CA-O 3.24Å; G535-G679 WeakPolarHBondContact CA-O 3.06Å; T677-G679 PolarHBondContact O-N 3.16Å; T677-G679 PolarHBondContact OG1-N 2.91Å; G679-S702 VanDerWaalsContact CA-OG 3.29Å; G679-S702 WeakPolarHBondContact CA-OG 3.3Å; G679-S702 PolarHBondContact N-OG 3Å
680	S	98	Very high	97.4	Very high	6 Å²	6	19.2 Å²	19.2	4%	0.042	12%	0.115	C	C	.	.			trans	-96.1	162.7	-170.1	87.9	0	0	0	0	113.2	A538 S678 F682 M683 S702	A538-S680 VanDerWaalsContact CB-CB 3.47Å; S678-S680 PolarHBondContact O-N 3.24Å; S678-S680 PolarHBondContact OG-N 3.05Å; S678-S680 PolarHBondContact OG-OG 2.89Å; S680-F682 VanDerWaalsContact C-N 3.3Å; S680-F682 VanDerWaalsContact CB-CE1 3.42Å; S680-F682 VanDerWaalsContact CB-CZ 3.43Å; S680-F682 VanDerWaalsContact OG-CD2 3.26Å; S680-F682 WeakPolarHBondContact OG-CD2 3.35Å; S680-F682 WeakPolarHBondContact OG-CE2 3.46Å; S680-F682 WeakPolarHBondContact OG-CG 3.33Å; S680-F682 PolarHBondContact OG-N 3.08Å; S680-M683 PolarHBondContact OG-N 3.35Å; S680-S702 PolarHBondContact N-OG 3.39Å; S680-S702 PolarHBondContact O-OG 3.48Å
681	T	97	Very high	97.3	Very high	109 Å²	109	20.9 Å²	20.9	67%	0.669	13%	0.125	S	C	*	.	S	Bend	trans	-91.3	4.9	169.1	57.1	0	0	0	0	112.5	K663	K663-T681 PolarHBondContact NZ-O 3.39Å; K663-T681 VanDerWaalsContact NZ-O 3.13Å
682	F	97.8	Very high	97.3	Very high	3 Å²	3	20.7 Å²	20.7	1%	0.013	12%	0.124	C	C	.	.	S	Bend	trans	-114.1	-8.1	-176.5	56.2	-105.2	0	0	0	113.8	A538 L542 F660 A661 K663 Q668 S680	A538-F682 HydrophobicContact CB-CE1 4.09Å; A538-F682 HydrophobicContact CB-CZ 4.2Å; L542-F682 HydrophobicContact CD1-CD1 4.39Å; L542-F682 HydrophobicContact CD1-CE1 4.48Å; L542-F682 HydrophobicContact CD2-CD1 4.02Å; L542-F682 HydrophobicContact CD2-CE1 4.37Å; L542-F682 HydrophobicContact CG-CD1 4.16Å; L542-F682 HydrophobicContact CG-CE1 4.09Å; F660-F682 HydrophobicContact CB-CD2 3.92Å; F660-F682 HydrophobicContact CB-CE2 3.93Å; A661-F682 HydrophobicContact CB-CD1 3.99Å; A661-F682 HydrophobicContact CB-CE1 3.78Å; A661-F682 HydrophobicContact CB-CG 4.43Å; A661-F682 HydrophobicContact CB-CZ 4.08Å; K663-F682 HydrophobicContact CD-CB 4.36Å; K663-F682 VanDerWaalsContact CE-CA 3.45Å; K663-F682 HydrophobicContact CG-CB 4.04Å; Q668-F682 PolarHBondContact NE2-O 3.28Å; S680-F682 VanDerWaalsContact C-N 3.3Å; S680-F682 VanDerWaalsContact CB-CE1 3.42Å; S680-F682 VanDerWaalsContact CB-CZ 3.43Å; S680-F682 VanDerWaalsContact OG-CD2 3.26Å; S680-F682 WeakPolarHBondContact OG-CD2 3.35Å; S680-F682 WeakPolarHBondContact OG-CE2 3.46Å; S680-F682 WeakPolarHBondContact OG-CG 3.33Å; S680-F682 PolarHBondContact OG-N 3.08Å
683	M	98.7	Very high	97.4	Very high	7 Å²	7	20.2 Å²	20.2	3%	0.034	12%	0.122	C	C	.	.			trans	-95.9	125.5	163.6	-70.3	-57.3	107	0	0	110.2	N647 F660 Q668 M670 S678 S680 E703	N647-M683 HydrophobicContact CB-SD 4.32Å; F660-M683 HydrophobicContact CB-CE 3.43Å; F660-M683 VanDerWaalsContact CB-CE 3.43Å; F660-M683 HydrophobicContact CD1-CE 3.5Å; F660-M683 VanDerWaalsContact CD1-CE 3.5Å; F660-M683 HydrophobicContact CD1-SD 4.41Å; F660-M683 HydrophobicContact CE1-CE 4.42Å; F660-M683 HydrophobicContact CG-CE 3.71Å; Q668-M683 HydrophobicContact CB-CE 3.54Å; Q668-M683 HydrophobicContact CB-SD 3.85Å; Q668-M683 HydrophobicContact CG-CE 4.38Å; M670-M683 HydrophobicContact CG-CB 4.36Å; M670-M683 HydrophobicContact CG-CG 3.84Å; M670-M683 HydrophobicContact CG-SD 4.21Å; M670-M683 HydrophobicContact SD-CG 3.95Å; M670-M683 HydrophobicContact SD-SD 4.12Å; S678-M683 WeakPolarHBondContact OG-CB 3.49Å; S678-M683 WeakPolarHBondContact OG-CG 3.35Å; S680-M683 PolarHBondContact OG-N 3.35Å; M683-E703 HydrophobicContact CB-CG 3.67Å
684	D	98.7	Very high	97.7	Very high	31 Å²	31	20 Å²	20	17%	0.166	12%	0.117	C	C	.	.			trans	-84.5	-42.3	-179.8	-54.8	-61.1	0	0	0	111	I667 Q668 K704 I1048	I667-D684 WeakPolarHBondContact CA-OD2 3.16Å; Q668-D684 PolarHBondContact N-OD2 2.84Å; Q668-D684 PolarHBondContact O-N 2.73Å; D684-K704 PolarHBondContact O-N 2.97Å; D684-I1048 HydrophobicContact CB-CD1 4.14Å; D684-I1048 HydrophobicContact CB-CG2 4.12Å
685	Y	98.9	Very high	97.7	Very high	1 Å²	1	22.7 Å²	22.7	0%	0.004	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	151.2	-173.4	-68.8	-75.4	0	0	0	113.5	I667 Q668 A669 M670 K704 A706 M1039 I1048 E1049 I1051	I667-Y685 HydrophobicContact CG2-CD2 3.9Å; I667-Y685 HydrophobicContact CG2-CE2 4.19Å; Q668-Y685 PolarHBondContact O-N 3.31Å; A669-Y685 CarbonylContact C-O 3.52Å; A669-Y685 WeakPolarHBondContact CA-O 3.28Å; A669-Y685 WeakPolarHBondContact CB-O 3.09Å; M670-Y685 PolarHBondContact N-O 2.81Å; Y685-K704 CarbonylContact C-O 3.59Å; Y685-K704 VanDerWaalsContact CA-O 3.28Å; Y685-K704 WeakPolarHBondContact CA-O 3.49Å; Y685-K704 HydrophobicContact CD1-CB 3.76Å; Y685-K704 HydrophobicContact CE1-CB 3.75Å; Y685-A706 HydrophobicContact CD1-CB 3.9Å; Y685-A706 HydrophobicContact CG-CB 4.34Å; Y685-M1039 HydrophobicContact CD1-CE 4.45Å; Y685-M1039 HydrophobicContact CD2-CE 4.2Å; Y685-M1039 HydrophobicContact CD2-CG 4.06Å; Y685-M1039 HydrophobicContact CD2-SD 4.23Å; Y685-M1039 HydrophobicContact CE2-CB 4.24Å; Y685-M1039 HydrophobicContact CE2-CG 4.02Å; Y685-M1039 HydrophobicContact CG-CE 3.92Å; Y685-I1048 HydrophobicContact CE1-CG2 4.3Å; Y685-I1048 HydrophobicContact CE2-CG2 4Å; Y685-E1049 VanDerWaalsContact CE1-O 3.27Å; Y685-E1049 WeakPolarHBondContact CE1-O 3.42Å; Y685-E1049 PolarHBondContact OH-O 3.2Å; Y685-I1051 HydrophobicContact CE1-CD1 4.03Å; Y685-I1051 HydrophobicContact CE1-CG1 4.16Å
686	I	98.8	Very high	97.7	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.7	157.5	-175.5	167.1	0	0	0	108.3	M670 T688 Y701 E703 K704 L705 A706 L967	M670-I686 HydrophobicContact CB-CB 4.25Å; M670-I686 HydrophobicContact CB-CG1 4.02Å; I686-T688 PolarHBondContact O-N 2.91Å; I686-Y701 HydrophobicContact CD1-CD1 3.94Å; I686-Y701 HydrophobicContact CD1-CE1 3.99Å; I686-Y701 HydrophobicContact CG2-CD1 4.23Å; I686-Y701 HydrophobicContact CG2-CG 4.33Å; I686-E703 HydrophobicContact CB-CB 4.06Å; I686-E703 HydrophobicContact CB-CG 4.38Å; I686-E703 HydrophobicContact CG2-CB 4Å; I686-K704 PolarHBondContact N-O 3.18Å; I686-L705 HydrophobicContact CG2-CD2 3.53Å; I686-A706 PolarHBondContact O-N 3.04Å; I686-L967 HydrophobicContact CD1-CD1 3.77Å
687	I	98.8	Very high	97.8	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	116	175.4	-60.6	-179.7	0	0	0	107.9	L646 A669 M670 W671 A706 M708 I1032 L1035 Y1036 M1039	L646-I687 HydrophobicContact CD2-CD1 4.13Å; A669-I687 HydrophobicContact CB-CG1 4.49Å; M670-I687 PolarHBondContact O-N 3.34Å; W671-I687 HydrophobicContact CB-CB 4.18Å; W671-I687 HydrophobicContact CB-CD1 4.13Å; W671-I687 HydrophobicContact CB-CG1 4.46Å; W671-I687 HydrophobicContact CG-CB 4.19Å; W671-I687 HydrophobicContact CG-CD1 4.18Å; W671-I687 HydrophobicContact CG-CG2 4.41Å; I687-A706 WeakPolarHBondContact CA-O 3.38Å; I687-A706 HydrophobicContact CG1-CB 4.34Å; I687-M708 HydrophobicContact CG2-CG 3.82Å; I687-M708 HydrophobicContact CG2-SD 4.35Å; I687-I1032 HydrophobicContact CD1-CD1 4.23Å; I687-L1035 HydrophobicContact CD1-CD2 4.49Å; I687-L1035 HydrophobicContact CG1-CD2 4.32Å; I687-L1035 HydrophobicContact CG2-CD2 4.01Å; I687-Y1036 HydrophobicContact CD1-CE1 3.92Å; I687-M1039 HydrophobicContact CD1-CE 3.91Å; I687-M1039 HydrophobicContact CG1-CE 3.63Å
688	T	98.4	Very high	97.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	-164	-174.2	-170.2	0	0	0	0	110	I686 S693 L705 A706 Y707 M708 F712	I686-T688 PolarHBondContact O-N 2.91Å; T688-S693 VanDerWaalsContact OG1-CB 3.31Å; T688-S693 WeakPolarHBondContact OG1-CB 3.17Å; T688-S693 PolarHBondContact OG1-OG 3.12Å; T688-L705 HydrophobicContact CG2-CB 4.29Å; T688-L705 HydrophobicContact CG2-CD2 4.1Å; T688-A706 PolarHBondContact N-O 3.28Å; T688-Y707 HydrophobicContact CG2-CD1 3.8Å; T688-Y707 HydrophobicContact CG2-CE1 3.85Å; T688-Y707 CarbonylContact O-C 3.54Å; T688-Y707 VanDerWaalsContact O-CA 3.29Å; T688-Y707 WeakPolarHBondContact O-CA 3.48Å; T688-M708 PolarHBondContact O-N 2.89Å; T688-F712 VanDerWaalsContact C-CB 3.48Å; T688-F712 VanDerWaalsContact CA-CB 3.45Å
689	D	97.8	Very high	97.6	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.182	C	C	.	.			trans	-141	170.1	171.1	63.4	59.1	0	0	0	111.2	V691 T692 S693 T711 F712 S974	D689-V691 VanDerWaalsContact C-N 3.27Å; D689-V691 PolarHBondContact O-N 2.77Å; D689-V691 WeakPolarHBondContact OD1-CB 3.49Å; D689-V691 PolarHBondContact OD1-N 3.38Å; D689-T692 PolarHBondContact O-N 3.42Å; D689-T692 WeakPolarHBondContact OD1-CB 3.5Å; D689-T692 PolarHBondContact OD1-N 3.45Å; D689-T692 PolarHBondContact OD1-OG1 3.28Å; D689-T692 PolarHBondContact OD2-OG1 3.39Å; D689-S693 PolarHBondContact O-N 3.18Å; D689-T711 VanDerWaalsContact OD2-CA 3.31Å; D689-T711 WeakPolarHBondContact OD2-CA 3.48Å; D689-T711 PolarHBondContact OD2-OG1 3.24Å; D689-F712 VanDerWaalsContact OD2-CD1 3.32Å; D689-F712 WeakPolarHBondContact OD2-CD1 3.32Å; D689-F712 PolarHBondContact OD2-N 3.27Å; D689-S974 VanDerWaalsContact CG-OG 3.27Å; D689-S974 PolarHBondContact OD1-OG 3.03Å; D689-S974 WeakPolarHBondContact OD2-CB 3.46Å; D689-S974 PolarHBondContact OD2-OG 3.24Å
690	M	96.9	Very high	97.5	Very high	131 Å²	131	34 Å²	34	65%	0.645	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-26.4	-175.5	-174.6	173	64	0	0	113.9	P694 Y707	M690-P694 WeakPolarHBondContact O-CA 3.27Å; M690-Y707 HydrophobicContact CB-CD2 4.02Å; M690-Y707 HydrophobicContact CB-CE2 3.67Å; M690-Y707 HydrophobicContact CG-CE2 4.05Å
691	V	96.9	Very high	97.6	Very high	38 Å²	38	34.1 Å²	34.1	23%	0.23	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-44	-179.8	178.4	0	0	0	0	110	D689 R970 A973 H977	D689-V691 VanDerWaalsContact C-N 3.27Å; D689-V691 PolarHBondContact O-N 2.77Å; D689-V691 WeakPolarHBondContact OD1-CB 3.49Å; D689-V691 PolarHBondContact OD1-N 3.38Å; V691-R970 PolarHBondContact O-NH1 2.95Å; V691-A973 HydrophobicContact CG1-CB 3.92Å; V691-H977 HydrophobicContact CG2-CB 4.31Å
692	T	97.7	Very high	97.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-39.2	-176.9	-47.1	0	0	0	0	111.8	D689 F712 L967 R970 V971 S974	D689-T692 PolarHBondContact O-N 3.42Å; D689-T692 WeakPolarHBondContact OD1-CB 3.5Å; D689-T692 PolarHBondContact OD1-N 3.45Å; D689-T692 PolarHBondContact OD1-OG1 3.28Å; D689-T692 PolarHBondContact OD2-OG1 3.39Å; T692-F712 HydrophobicContact CG2-CD1 4.27Å; T692-F712 HydrophobicContact CG2-CE1 3.53Å; T692-F712 HydrophobicContact CG2-CZ 4.24Å; T692-F712 WeakPolarHBondContact OG1-CE1 3.43Å; T692-L967 HydrophobicContact CG2-CB 4.36Å; T692-L967 HydrophobicContact CG2-CD2 3.45Å; T692-L967 VanDerWaalsContact CG2-CD2 3.45Å; T692-L967 HydrophobicContact CG2-CG 3.51Å; T692-L967 WeakPolarHBondContact CG2-O 3.09Å; T692-R970 HydrophobicContact CG2-CB 4.17Å; T692-R970 WeakPolarHBondContact O-CD 3.34Å; T692-V971 HydrophobicContact CG2-CG2 4.02Å; T692-S974 WeakPolarHBondContact OG1-CB 3.38Å
693	S	97.6	Very high	97.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-132.6	70.2	-176.3	-63.2	0	0	0	0	110.5	T688 D689 Y701 Y707	T688-S693 VanDerWaalsContact OG1-CB 3.31Å; T688-S693 WeakPolarHBondContact OG1-CB 3.17Å; T688-S693 PolarHBondContact OG1-OG 3.12Å; D689-S693 PolarHBondContact O-N 3.18Å; S693-Y701 PolarHBondContact OG-OH 3.16Å; S693-Y707 WeakPolarHBondContact O-CE1 3.48Å; S693-Y707 PolarHBondContact O-OH 3.08Å
694	P	96.9	Very high	97.7	Very high	13 Å²	13	33.6 Å²	33.6	8%	0.084	17%	0.171	C	C	.	.			trans	-62.3	147.7	-178.6	28.9	-36.8	0	0	0	111.5	M690 H696 L697	M690-P694 WeakPolarHBondContact O-CA 3.27Å; P694-H696 VanDerWaalsContact C-N 3.27Å; P694-H696 PolarHBondContact O-N 3.34Å; P694-H696 VanDerWaalsContact O-N 3.12Å; P694-L697 HydrophobicContact CG-CB 4.4Å; P694-L697 HydrophobicContact CG-CD1 3.74Å; P694-L697 HydrophobicContact CG-CG 4.01Å; P694-L697 PolarHBondContact O-N 3.12Å
695	M	96.2	Very high	97.7	Very high	73 Å²	73	32.1 Å²	32.1	36%	0.36	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-59.8	-32.6	-168.4	-173.8	54.5	67.3	0	0	114	L697 S698 L705 Y707 H1050 V1052	M695-L697 PolarHBondContact O-N 3.36Å; M695-S698 WeakPolarHBondContact O-CB 3.19Å; M695-S698 PolarHBondContact O-N 3.15Å; M695-S698 PolarHBondContact O-OG 2.94Å; M695-L705 HydrophobicContact CE-CD1 4.3Å; M695-L705 HydrophobicContact SD-CD1 4.42Å; M695-Y707 PolarHBondContact N-OH 3.39Å; M695-H1050 HydrophobicContact CE-CB 4.21Å; M695-V1052 HydrophobicContact CE-CB 4.03Å; M695-V1052 HydrophobicContact CE-CG1 3.23Å; M695-V1052 HydrophobicContact CE-CG2 3.92Å
696	H	96.3	Very high	97.6	Very high	133 Å²	133	32.1 Å²	32.1	62%	0.616	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-65.2	-19.8	177.3	68.4	-86.5	0	0	0	113.1	P694 H699	P694-H696 VanDerWaalsContact C-N 3.27Å; P694-H696 PolarHBondContact O-N 3.34Å; P694-H696 VanDerWaalsContact O-N 3.12Å; H696-H699 PolarHBondContact O-ND1 3.34Å
697	L	96.6	Very high	97.6	Very high	10 Å²	10	32.4 Å²	32.4	5%	0.052	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-99.4	8.8	174.6	-54.2	179.2	0	0	0	113.1	P694 M695 H699 Q700 E965	P694-L697 HydrophobicContact CG-CB 4.4Å; P694-L697 HydrophobicContact CG-CD1 3.74Å; P694-L697 HydrophobicContact CG-CG 4.01Å; P694-L697 PolarHBondContact O-N 3.12Å; M695-L697 PolarHBondContact O-N 3.36Å; L697-H699 PolarHBondContact O-N 3.44Å; L697-H699 VanDerWaalsContact O-N 3.11Å; L697-Q700 VanDerWaalsContact CB-NE2 3.31Å; L697-Q700 VanDerWaalsContact O-CG 3.24Å; L697-Q700 WeakPolarHBondContact O-CG 3.43Å; L697-Q700 PolarHBondContact O-N 3.49Å; L697-Q700 VanDerWaalsContact O-N 3.14Å; L697-Q700 PolarHBondContact O-NE2 2.85Å; L697-E965 WeakPolarHBondContact CD1-O 3.49Å; L697-E965 WeakPolarHBondContact CD1-OE2 3.47Å; L697-E965 WeakPolarHBondContact CD2-OE2 3.32Å
698	S	97.2	Very high	97.6	Very high	31 Å²	31	32.6 Å²	32.6	22%	0.217	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-56.3	-28.5	-178.9	55.7	0	0	0	0	113.7	M695 Q700 Y701	M695-S698 WeakPolarHBondContact O-CB 3.19Å; M695-S698 PolarHBondContact O-N 3.15Å; M695-S698 PolarHBondContact O-OG 2.94Å; S698-Q700 PolarHBondContact O-N 3.15Å; S698-Q700 VanDerWaalsContact O-N 3.09Å; S698-Y701 PolarHBondContact O-N 3.16Å; S698-Y701 VanDerWaalsContact O-N 3.11Å
699	H	96.6	Very high	97.4	Very high	107 Å²	107	35 Å²	35	50%	0.495	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-58.5	-23.4	178.5	69.5	-88	0	0	0	114	H527 K531 H696 L697 Y701	H527-H699 AromaticContact CD2-NE2 3.82Å; K531-H699 PolarHBondContact NZ-O 2.9Å; H696-H699 PolarHBondContact O-ND1 3.34Å; L697-H699 PolarHBondContact O-N 3.44Å; L697-H699 VanDerWaalsContact O-N 3.11Å; H699-Y701 PolarHBondContact O-N 2.98Å
700	Q	96.8	Very high	97.3	Very high	15 Å²	15	39 Å²	39	7%	0.07	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-70.5	-13.6	179.1	82.5	-175.8	-75.2	0	0	113.6	H527 L697 S698 E965	H527-Q700 HydrophobicContact CB-CB 3.68Å; H527-Q700 PolarHBondContact CE1-OE1 2.87Å; H527-Q700 PolarHBondContact ND1-OE1 3.12Å; L697-Q700 VanDerWaalsContact CB-NE2 3.31Å; L697-Q700 VanDerWaalsContact O-CG 3.24Å; L697-Q700 WeakPolarHBondContact O-CG 3.43Å; L697-Q700 PolarHBondContact O-N 3.49Å; L697-Q700 VanDerWaalsContact O-N 3.14Å; L697-Q700 PolarHBondContact O-NE2 2.85Å; S698-Q700 PolarHBondContact O-N 3.15Å; S698-Q700 VanDerWaalsContact O-N 3.09Å; Q700-E965 PolarHBondContact NE2-O 3.41Å
701	Y	98.4	Very high	97.3	Very high	8 Å²	8	32.9 Å²	32.9	3%	0.031	17%	0.168	C	C	.	.			trans	-104.9	144.7	179.7	-51.3	-80.6	0	0	0	110.9	K531 I686 S693 S698 H699 E703 L705 L967	K531-Y701 VanDerWaalsContact CE-O 3.32Å; K531-Y701 WeakPolarHBondContact CE-O 3.25Å; K531-Y701 PolarHBondContact NZ-O 3.01Å; I686-Y701 HydrophobicContact CD1-CD1 3.94Å; I686-Y701 HydrophobicContact CD1-CE1 3.99Å; I686-Y701 HydrophobicContact CG2-CD1 4.23Å; I686-Y701 HydrophobicContact CG2-CG 4.33Å; S693-Y701 PolarHBondContact OG-OH 3.16Å; S698-Y701 PolarHBondContact O-N 3.16Å; S698-Y701 VanDerWaalsContact O-N 3.11Å; H699-Y701 PolarHBondContact O-N 2.98Å; Y701-E703 VanDerWaalsContact C-N 3.35Å; Y701-L705 HydrophobicContact CD2-CD2 3.56Å; Y701-L705 HydrophobicContact CE2-CD2 3.93Å; Y701-L705 HydrophobicContact CG-CD2 4.02Å; Y701-L967 HydrophobicContact CE1-CB 4.39Å; Y701-L967 HydrophobicContact CE1-CD1 3.87Å; Y701-L967 WeakPolarHBondContact OH-CB 3.44Å
702	S	98.2	Very high	97.3	Very high	44 Å²	44	31.3 Å²	31.3	31%	0.308	16%	0.158	S	C	.	.	S	Bend	trans	-77.8	-27.7	165.3	57.6	0	0	0	0	111.4	T677 G679 S680	T677-S702 PolarHBondContact OG1-N 3.3Å; T677-S702 PolarHBondContact OG1-OG 3.4Å; G679-S702 VanDerWaalsContact CA-OG 3.29Å; G679-S702 WeakPolarHBondContact CA-OG 3.3Å; G679-S702 PolarHBondContact N-OG 3Å; S680-S702 PolarHBondContact N-OG 3.39Å; S680-S702 PolarHBondContact O-OG 3.48Å
703	E	98.5	Very high	97.3	Very high	5 Å²	5	31.6 Å²	31.6	2%	0.023	16%	0.159	C	C	.	.	S	Bend	trans	-84.3	157.6	-177.4	-50.4	88.1	163.8	0	0	112.7	T677 S678 M683 I686 Y701	T677-E703 WeakPolarHBondContact CB-OE2 3.42Å; T677-E703 PolarHBondContact OG1-OE1 2.86Å; T677-E703 PolarHBondContact OG1-OE2 3.35Å; S678-E703 WeakPolarHBondContact CA-OE1 3.48Å; S678-E703 WeakPolarHBondContact CB-OE1 3.46Å; S678-E703 PolarHBondContact N-OE1 3.46Å; S678-E703 PolarHBondContact OG-OE1 3.43Å; M683-E703 HydrophobicContact CB-CG 3.67Å; I686-E703 HydrophobicContact CB-CB 4.06Å; I686-E703 HydrophobicContact CB-CG 4.38Å; I686-E703 HydrophobicContact CG2-CB 4Å; Y701-E703 VanDerWaalsContact C-N 3.35Å
704	K	98.6	Very high	97.2	Very high	60 Å²	60	31.6 Å²	31.6	26%	0.261	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	143.7	165.5	-62	-64.9	-177.9	153.4	0	110	D684 Y685 I686 I1048 E1049	D684-K704 PolarHBondContact O-N 2.97Å; Y685-K704 CarbonylContact C-O 3.59Å; Y685-K704 VanDerWaalsContact CA-O 3.28Å; Y685-K704 WeakPolarHBondContact CA-O 3.49Å; Y685-K704 HydrophobicContact CD1-CB 3.76Å; Y685-K704 HydrophobicContact CE1-CB 3.75Å; I686-K704 PolarHBondContact N-O 3.18Å; K704-I1048 WeakPolarHBondContact CE-O 3.31Å; K704-I1048 HydrophobicContact CG-CG2 3.94Å; K704-E1049 IonicContact NZ-OE1 3.58Å; K704-E1049 IonicContact NZ-OE2 3.69Å; K704-E1049 PolarHBondContact NZ-OE2 3.27Å
705	L	98.7	Very high	97.2	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	127	177.7	-54.3	-174.9	0	0	0	109.9	I686 T688 M695 Y701 Y707 H1050 I1051	I686-L705 HydrophobicContact CG2-CD2 3.53Å; T688-L705 HydrophobicContact CG2-CB 4.29Å; T688-L705 HydrophobicContact CG2-CD2 4.1Å; M695-L705 HydrophobicContact CE-CD1 4.3Å; M695-L705 HydrophobicContact SD-CD1 4.42Å; Y701-L705 HydrophobicContact CD2-CD2 3.56Å; Y701-L705 HydrophobicContact CE2-CD2 3.93Å; Y701-L705 HydrophobicContact CG-CD2 4.02Å; L705-Y707 HydrophobicContact CB-CD1 4.23Å; L705-Y707 HydrophobicContact CB-CE1 3.86Å; L705-Y707 HydrophobicContact CD1-CE1 3.86Å; L705-Y707 HydrophobicContact CG-CE1 4.46Å; L705-H1050 PolarHBondContact N-ND1 3.41Å; L705-H1050 CarbonylContact O-C 3.52Å; L705-H1050 WeakPolarHBondContact O-CA 3.5Å; L705-I1051 PolarHBondContact O-N 3.34Å
706	A	98.7	Very high	97.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	103.5	171.5	0	0	0	0	0	108.6	Y685 I686 I687 T688 L1035 M1039	Y685-A706 HydrophobicContact CD1-CB 3.9Å; Y685-A706 HydrophobicContact CG-CB 4.34Å; I686-A706 PolarHBondContact O-N 3.04Å; I687-A706 WeakPolarHBondContact CA-O 3.38Å; I687-A706 HydrophobicContact CG1-CB 4.34Å; T688-A706 PolarHBondContact N-O 3.28Å; A706-L1035 HydrophobicContact CB-CD1 4.12Å; A706-L1035 HydrophobicContact CB-CD2 4.07Å; A706-L1035 HydrophobicContact CB-CG 4.4Å; A706-M1039 HydrophobicContact CB-CE 3.33Å
707	Y	98.5	Very high	97.3	Very high	10 Å²	10	21.1 Å²	21.1	4%	0.039	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	125.8	-174.5	-73.9	-6.5	0	0	0	112	T688 M690 S693 M695 L705 I1051 V1052 W1054	T688-Y707 HydrophobicContact CG2-CD1 3.8Å; T688-Y707 HydrophobicContact CG2-CE1 3.85Å; T688-Y707 CarbonylContact O-C 3.54Å; T688-Y707 VanDerWaalsContact O-CA 3.29Å; T688-Y707 WeakPolarHBondContact O-CA 3.48Å; M690-Y707 HydrophobicContact CB-CD2 4.02Å; M690-Y707 HydrophobicContact CB-CE2 3.67Å; M690-Y707 HydrophobicContact CG-CE2 4.05Å; S693-Y707 WeakPolarHBondContact O-CE1 3.48Å; S693-Y707 PolarHBondContact O-OH 3.08Å; M695-Y707 PolarHBondContact N-OH 3.39Å; L705-Y707 HydrophobicContact CB-CD1 4.23Å; L705-Y707 HydrophobicContact CB-CE1 3.86Å; L705-Y707 HydrophobicContact CD1-CE1 3.86Å; L705-Y707 HydrophobicContact CG-CE1 4.46Å; Y707-I1051 PolarHBondContact N-O 3.17Å; Y707-V1052 HydrophobicContact CD1-CG1 4.07Å; Y707-V1052 HydrophobicContact CD2-CB 3.5Å; Y707-V1052 HydrophobicContact CD2-CG1 3.45Å; Y707-V1052 VanDerWaalsContact CD2-CG1 3.45Å; Y707-V1052 HydrophobicContact CE1-CG1 4.02Å; Y707-V1052 HydrophobicContact CE2-CB 3.61Å; Y707-V1052 HydrophobicContact CE2-CG1 3.38Å; Y707-V1052 HydrophobicContact CG-CB 4.2Å; Y707-V1052 HydrophobicContact CG-CG1 3.79Å; Y707-W1054 VanDerWaalsContact O-CE2 3.24Å; Y707-W1054 WeakPolarHBondContact O-CZ2 3.43Å; Y707-W1054 PolarHBondContact O-NE1 3.43Å
708	M	98.1	Very high	97.2	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.025	12%	0.115	C	C	.	.			trans	-67.6	143.2	154.2	-69.3	-61.7	-72.2	0	0	109.4	I687 T688 K710 T711 F712 Y1028 D1031 I1032 L1035	I687-M708 HydrophobicContact CG2-CG 3.82Å; I687-M708 HydrophobicContact CG2-SD 4.35Å; T688-M708 PolarHBondContact O-N 2.89Å; M708-K710 PolarHBondContact O-N 3.26Å; M708-T711 WeakPolarHBondContact CB-O 3.46Å; M708-F712 HydrophobicContact CG-CB 4.28Å; M708-Y1028 HydrophobicContact CE-CD1 4.19Å; M708-Y1028 HydrophobicContact CE-CD2 3.86Å; M708-Y1028 HydrophobicContact CE-CE1 3.94Å; M708-Y1028 HydrophobicContact CE-CE2 3.65Å; M708-Y1028 HydrophobicContact CE-CG 4.15Å; M708-D1031 HydrophobicContact CE-CB 3.76Å; M708-I1032 HydrophobicContact CE-CB 3.75Å; M708-I1032 HydrophobicContact CE-CG1 4.3Å; M708-I1032 HydrophobicContact SD-CB 3.85Å; M708-I1032 HydrophobicContact SD-CD1 4.39Å; M708-I1032 HydrophobicContact SD-CG1 3.81Å; M708-L1035 HydrophobicContact CG-CD2 4.42Å; M708-L1035 HydrophobicContact SD-CD2 3.8Å
709	P	95.4	Very high	97	Very high	51 Å²	51	24.3 Å²	24.3	33%	0.331	12%	0.12	S	C	.	.	S	Bend	trans	-70.4	-18.4	-172.2	26.2	-32.3	0	0	0	113.7	D1031 W1054	P709-D1031 HydrophobicContact CG-CB 3.79Å; P709-W1054 HydrophobicContact CB-CD2 3.72Å; P709-W1054 HydrophobicContact CB-CE3 4.15Å; P709-W1054 HydrophobicContact CB-CG 3.92Å; P709-W1054 HydrophobicContact CB-CZ2 4.44Å; P709-W1054 HydrophobicContact CG-CD2 4.22Å; P709-W1054 HydrophobicContact CG-CE3 4.32Å; P709-W1054 HydrophobicContact CG-CH2 4.32Å; P709-W1054 HydrophobicContact CG-CZ2 4.22Å; P709-W1054 HydrophobicContact CG-CZ3 4.36Å
710	K	94.7	Very high	96.8	Very high	85 Å²	85	19.7 Å²	19.7	37%	0.37	10%	0.099	S	C	.	.	S	Bend	trans	-123.6	-71	-175.6	-57.2	173.2	-165.5	130.1	0	110.2	M708 T978 A1021 S1027 D1031	M708-K710 PolarHBondContact O-N 3.26Å; K710-T978 HydrophobicContact CB-CG2 4.27Å; K710-T978 PolarHBondContact O-OG1 3.42Å; K710-A1021 HydrophobicContact CD-CB 3.37Å; K710-S1027 PolarHBondContact NZ-OG 3.45Å; K710-D1031 IonicContact NZ-OD1 3.96Å; K710-D1031 IonicContact NZ-OD2 3.09Å; K710-D1031 PolarHBondContact NZ-OD2 3.11Å
711	T	96.7	Very high	96.8	Very high	3 Å²	3	19 Å²	19	2%	0.018	10%	0.096	C	C	.	.			trans	-141.1	150.6	173.8	-174.3	0	0	0	0	110	D689 M708 F713 S974 T978 L1022 Y1028	D689-T711 VanDerWaalsContact OD2-CA 3.31Å; D689-T711 WeakPolarHBondContact OD2-CA 3.48Å; D689-T711 PolarHBondContact OD2-OG1 3.24Å; M708-T711 WeakPolarHBondContact CB-O 3.46Å; T711-F713 WeakPolarHBondContact CG2-O 3.31Å; T711-F713 PolarHBondContact OG1-N 2.66Å; T711-S974 WeakPolarHBondContact CB-OG 3.29Å; T711-S974 PolarHBondContact OG1-OG 3.5Å; T711-T978 WeakPolarHBondContact CB-OG1 3.5Å; T711-T978 HydrophobicContact CG2-CG2 3.87Å; T711-L1022 HydrophobicContact CG2-CD1 4.17Å; T711-Y1028 VanDerWaalsContact O-CE2 3.3Å; T711-Y1028 WeakPolarHBondContact O-CE2 3.21Å
712	F	96.8	Very high	96.6	Very high	5 Å²	5	20 Å²	20	2%	0.022	10%	0.103	C	C	.	.	S	Bend	trans	-81.5	-18.9	165.1	90.5	-76.6	0	0	0	112.7	T688 D689 T692 M708 L967 V971 Y1028	T688-F712 VanDerWaalsContact C-CB 3.48Å; T688-F712 VanDerWaalsContact CA-CB 3.45Å; D689-F712 VanDerWaalsContact OD2-CD1 3.32Å; D689-F712 WeakPolarHBondContact OD2-CD1 3.32Å; D689-F712 PolarHBondContact OD2-N 3.27Å; T692-F712 HydrophobicContact CG2-CD1 4.27Å; T692-F712 HydrophobicContact CG2-CE1 3.53Å; T692-F712 HydrophobicContact CG2-CZ 4.24Å; T692-F712 WeakPolarHBondContact OG1-CE1 3.43Å; M708-F712 HydrophobicContact CG-CB 4.28Å; F712-L967 HydrophobicContact CE1-CD2 4.23Å; F712-L967 HydrophobicContact CZ-CD2 3.73Å; F712-V971 HydrophobicContact CE1-CG1 4.4Å; F712-V971 HydrophobicContact CE1-CG2 4.09Å; F712-V971 HydrophobicContact CZ-CG1 4.45Å; F712-V971 HydrophobicContact CZ-CG2 3.92Å; F712-Y1028 PolarHBondContact O-OH 3.13Å
713	F	96.9	Very high	96.5	Very high	5 Å²	5	18 Å²	18	2%	0.022	9%	0.088	C	C	.	.			trans	-102.5	93.1	-170.7	-151.8	-85.6	0	0	0	111.4	L582 L672 T711 H946 M950 V971	L582-F713 HydrophobicContact CD1-CE1 3.59Å; L582-F713 HydrophobicContact CD1-CE2 4.21Å; L582-F713 HydrophobicContact CD1-CZ 3.33Å; L582-F713 HydrophobicContact CD2-CD1 4.34Å; L582-F713 HydrophobicContact CD2-CE1 3.61Å; L582-F713 HydrophobicContact CD2-CZ 4.25Å; L582-F713 HydrophobicContact CG-CE1 4.26Å; L582-F713 HydrophobicContact CG-CZ 4.44Å; L672-F713 HydrophobicContact CD1-CD2 4.01Å; L672-F713 HydrophobicContact CD1-CE2 4.11Å; L672-F713 HydrophobicContact CD1-CG 4.45Å; T711-F713 WeakPolarHBondContact CG2-O 3.31Å; T711-F713 PolarHBondContact OG1-N 2.66Å; F713-H946 HydrophobicContact CE1-CB 4.14Å; F713-H946 HydrophobicContact CE2-CB 3.92Å; F713-H946 HydrophobicContact CZ-CB 3.51Å; F713-M950 HydrophobicContact CD1-CG 4.02Å; F713-M950 HydrophobicContact CD1-SD 4.27Å; F713-M950 HydrophobicContact CE1-CG 3.88Å; F713-V971 HydrophobicContact CB-CG1 3.97Å; F713-V971 HydrophobicContact CD1-CG1 4.13Å; F713-V971 HydrophobicContact CD2-CG1 3.59Å; F713-V971 HydrophobicContact CE2-CG1 4.11Å; F713-V971 HydrophobicContact CG-CG1 3.61Å
714	I	97.3	Very high	96.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.088	C	C	.	.			trans	-85.1	157	179.9	-169.9	53.2	0	0	0	112.2	L582 M583 I586 L1022 Y1028	L582-I714 WeakPolarHBondContact CB-O 3.45Å; L582-I714 WeakPolarHBondContact CD2-O 3.46Å; M583-I714 HydrophobicContact CB-CG2 4.34Å; I586-I714 HydrophobicContact CD1-CB 4.47Å; I586-I714 HydrophobicContact CD1-CG1 4.24Å; I586-I714 HydrophobicContact CD1-CG2 3.67Å; I714-L1022 WeakPolarHBondContact CD1-O 3.21Å; I714-Y1028 HydrophobicContact CB-CD1 4.2Å; I714-Y1028 HydrophobicContact CB-CD2 3.63Å; I714-Y1028 HydrophobicContact CB-CE1 4.26Å; I714-Y1028 HydrophobicContact CB-CE2 3.64Å; I714-Y1028 HydrophobicContact CB-CG 3.89Å; I714-Y1028 HydrophobicContact CD1-CD2 3.81Å; I714-Y1028 HydrophobicContact CD1-CG 3.83Å; I714-Y1028 HydrophobicContact CG1-CD1 4.19Å; I714-Y1028 HydrophobicContact CG1-CD2 3.89Å; I714-Y1028 HydrophobicContact CG1-CE2 4.4Å; I714-Y1028 HydrophobicContact CG1-CG 3.74Å; I714-Y1028 HydrophobicContact CG2-CD1 4.37Å; I714-Y1028 HydrophobicContact CG2-CE1 4.13Å; I714-Y1028 HydrophobicContact CG2-CE2 4.22Å
715	G	96.7	Very high	96	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.09	C	C	.	.			trans	-135.1	133.1	169.7	0	0	0	0	0	112.8	L582 H717 M950 L1022 F1023	L582-G715 CarbonylContact O-C 3.42Å; L582-G715 WeakPolarHBondContact O-CA 3.43Å; G715-H717 PolarHBondContact O-N 3.29Å; G715-M950 VanDerWaalsContact CA-CE 3.41Å; G715-L1022 PolarHBondContact N-O 3.47Å; G715-F1023 VanDerWaalsContact O-CA 3.32Å; G715-F1023 WeakPolarHBondContact O-CA 3.27Å
716	D	96.6	Very high	95.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.109	C	C	.	.			trans	-86.5	9.5	-178.6	-150.1	-0.6	0	0	0	113.2	L582 Q584 S585 K613 Q718 Q719 M720 C1025	L582-D716 PolarHBondContact O-N 3.41Å; Q584-D716 HydrophobicContact CG-CB 4.48Å; Q584-D716 WeakPolarHBondContact CG-OD2 3.48Å; S585-D716 WeakPolarHBondContact CB-OD2 3.42Å; S585-D716 PolarHBondContact N-OD2 3.28Å; S585-D716 PolarHBondContact OG-OD1 2.98Å; S585-D716 PolarHBondContact OG-OD2 3.06Å; K613-D716 IonicContact NZ-OD2 3.2Å; D716-Q718 PolarHBondContact O-N 3.44Å; D716-Q718 VanDerWaalsContact O-N 3.09Å; D716-Q719 PolarHBondContact O-N 3.4Å; D716-Q719 WeakPolarHBondContact OD1-CB 3.46Å; D716-Q719 VanDerWaalsContact OD1-CD 3.24Å; D716-Q719 WeakPolarHBondContact OD1-CG 3.33Å; D716-Q719 PolarHBondContact OD1-OE1 3.12Å; D716-M720 HydrophobicContact CB-CG 4.47Å; D716-M720 HydrophobicContact CB-SD 4.36Å; D716-M720 PolarHBondContact O-N 3Å; D716-C1025 PolarHBondContact OD1-SG 2.93Å
717	H	96.8	Very high	95.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-55.6	-32.8	-173.1	-61.7	64.2	0	0	0	113.6	G715 Q719 M720 F721 M950 D951 W954 F1023	G715-H717 PolarHBondContact O-N 3.29Å; H717-Q719 PolarHBondContact O-N 3.1Å; H717-M720 PolarHBondContact O-N 3.22Å; H717-F721 HydrophobicContact CB-CD2 4.04Å; H717-F721 HydrophobicContact CB-CE2 4.45Å; H717-F721 AromaticContact CD2-CD2 3.97Å; H717-F721 AromaticContact CD2-CE2 3.74Å; H717-F721 PolarHBondContact O-N 3.05Å; H717-M950 VanDerWaalsContact CE1-CB 3.42Å; H717-M950 WeakPolarHBondContact CE1-CB 3.35Å; H717-D951 IonicContact CD2-OD1 3.55Å; H717-D951 IonicContact CE1-OD1 2.95Å; H717-D951 IonicContact NE2-OD1 3.56Å; H717-D951 PolarHBondContact NE2-OD1 2.83Å; H717-W954 HydrophobicContact CB-CB 3.89Å; H717-W954 HydrophobicContact CB-CD2 3.61Å; H717-W954 HydrophobicContact CB-CE3 4.04Å; H717-W954 HydrophobicContact CB-CG 3.49Å; H717-W954 VanDerWaalsContact CB-CG 3.49Å; H717-F1023 HydrophobicContact CB-CD1 3.73Å; H717-F1023 HydrophobicContact CB-CE1 3.87Å; H717-F1023 AromaticContact CG-CD1 3.98Å; H717-F1023 AromaticContact CG-CE1 3.73Å; H717-F1023 AromaticContact ND1-CD1 3.88Å; H717-F1023 AromaticContact ND1-CE1 3.68Å
718	Q	94.7	Very high	95.1	Very high	40 Å²	40	22.8 Å²	22.8	19%	0.187	11%	0.11	C	C	.	.	H	α-helix	trans	-61.9	-33.4	177.1	-179.4	178.6	40.3	0	0	111.7	D716 R725 W954 F1023	D716-Q718 PolarHBondContact O-N 3.44Å; D716-Q718 VanDerWaalsContact O-N 3.09Å; Q718-R725 PolarHBondContact O-NH2 2.93Å; Q718-W954 VanDerWaalsContact CA-CH2 3.46Å; Q718-W954 HydrophobicContact CB-CH2 3.64Å; Q718-W954 HydrophobicContact CB-CZ2 4.33Å; Q718-W954 HydrophobicContact CB-CZ3 3.84Å; Q718-W954 HydrophobicContact CG-CH2 3.88Å; Q718-W954 HydrophobicContact CG-CZ3 4.39Å; Q718-F1023 HydrophobicContact CB-CB 4.15Å; Q718-F1023 PolarHBondContact OE1-O 2.86Å
719	Q	92.3	Very high	95	Very high	67 Å²	67	22.7 Å²	22.7	31%	0.313	11%	0.11	S	C	.	.	H	α-helix	trans	-86.5	-37.1	177.2	-72.4	72.6	109.3	0	0	111.3	D716 H717 P722	D716-Q719 PolarHBondContact O-N 3.4Å; D716-Q719 WeakPolarHBondContact OD1-CB 3.46Å; D716-Q719 VanDerWaalsContact OD1-CD 3.24Å; D716-Q719 WeakPolarHBondContact OD1-CG 3.33Å; D716-Q719 PolarHBondContact OD1-OE1 3.12Å; H717-Q719 PolarHBondContact O-N 3.1Å; Q719-P722 WeakPolarHBondContact O-CD 3.3Å
720	M	94	Very high	94.9	Very high	11 Å²	11	20.4 Å²	20.4	5%	0.054	10%	0.095	C	C	.	.	H	α-helix	trans	-74.3	-38.9	-176.8	-67.3	179.4	64.9	0	0	113.9	H581 Q584 F610 D716 H717 P722	H581-M720 HydrophobicContact CB-CE 4.23Å; H581-M720 HydrophobicContact CB-SD 4.21Å; Q584-M720 PolarHBondContact NE2-SD 3.4Å; F610-M720 HydrophobicContact CE1-CE 3.44Å; F610-M720 VanDerWaalsContact CE1-CE 3.44Å; F610-M720 HydrophobicContact CZ-CE 3.82Å; D716-M720 HydrophobicContact CB-CG 4.47Å; D716-M720 HydrophobicContact CB-SD 4.36Å; D716-M720 PolarHBondContact O-N 3Å; H717-M720 PolarHBondContact O-N 3.22Å; M720-P722 WeakPolarHBondContact O-CD 3.45Å
721	F	95.6	Very high	94.7	Very high	1 Å²	1	17 Å²	17	0%	0.004	8%	0.08	C	C	.	.			trans	-125.7	54.3	-172.2	-44.9	-69.4	0	0	0	112.6	H717 H723 L724 K924 E925 V928 W954	H717-F721 HydrophobicContact CB-CD2 4.04Å; H717-F721 HydrophobicContact CB-CE2 4.45Å; H717-F721 AromaticContact CD2-CD2 3.97Å; H717-F721 AromaticContact CD2-CE2 3.74Å; H717-F721 PolarHBondContact O-N 3.05Å; F721-H723 AromaticContact CD1-CE1 3.98Å; F721-H723 PolarHBondContact O-N 3.42Å; F721-L724 HydrophobicContact CB-CD1 3.87Å; F721-L724 HydrophobicContact CB-CG 4.06Å; F721-L724 HydrophobicContact CG-CD1 4.44Å; F721-L724 PolarHBondContact O-N 3.19Å; F721-K924 HydrophobicContact CE1-CG 4.48Å; F721-K924 HydrophobicContact CZ-CG 3.89Å; F721-E925 HydrophobicContact CE1-CB 4.46Å; F721-V928 HydrophobicContact CD2-CG1 4.12Å; F721-V928 HydrophobicContact CD2-CG2 4.33Å; F721-V928 HydrophobicContact CE2-CB 4.39Å; F721-V928 HydrophobicContact CE2-CG1 4.33Å; F721-V928 HydrophobicContact CE2-CG2 3.72Å; F721-V928 HydrophobicContact CG-CG1 4.48Å; F721-V928 HydrophobicContact CZ-CB 4.48Å; F721-V928 HydrophobicContact CZ-CG2 3.81Å; F721-W954 PolarHBondContact O-NE1 3.42Å
722	P	95.6	Very high	94.3	Very high	29 Å²	29	17.2 Å²	17.2	19%	0.188	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-66.6	-23.3	180	29.7	-35.7	0	0	0	112.5	Q719 M720 L724 R725 L752 V837	Q719-P722 WeakPolarHBondContact O-CD 3.3Å; M720-P722 WeakPolarHBondContact O-CD 3.45Å; P722-L724 PolarHBondContact O-N 3.43Å; P722-R725 WeakPolarHBondContact O-CB 3.35Å; P722-R725 WeakPolarHBondContact O-CG 3.3Å; P722-R725 PolarHBondContact O-N 3.13Å; P722-R725 VanDerWaalsContact O-N 3.14Å; P722-L752 HydrophobicContact CB-CD2 4.34Å; P722-L752 HydrophobicContact CG-CD2 4.01Å; P722-V837 HydrophobicContact CG-CB 4.48Å; P722-V837 HydrophobicContact CG-CG1 3.8Å; P722-V837 HydrophobicContact CG-CG2 3.82Å
723	H	94.3	Very high	93.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-65.4	-21.1	175.1	67.2	-61.2	0	0	0	113.1	F721 R725 G751 L752 V837 E925	F721-H723 AromaticContact CD1-CE1 3.98Å; F721-H723 PolarHBondContact O-N 3.42Å; H723-R725 VanDerWaalsContact C-N 3.26Å; H723-R725 PolarHBondContact O-N 3.46Å; H723-G751 PolarHBondContact O-N 3.37Å; H723-G751 VanDerWaalsContact O-N 3.14Å; H723-L752 HydrophobicContact CB-CD2 4.29Å; H723-L752 HydrophobicContact CB-CG 4.13Å; H723-V837 HydrophobicContact CB-CG1 4.05Å; H723-E925 IonicContact CD2-OE1 2.75Å; H723-E925 IonicContact CE1-OE1 2.7Å; H723-E925 IonicContact NE2-OE1 3.76Å; H723-E925 PolarHBondContact NE2-OE1 3.31Å
724	L	95.1	Very high	93.3	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-79.4	-5.1	175.1	-60	-175.5	0	0	0	113.5	F721 P722 V928 R929 W1014	F721-L724 HydrophobicContact CB-CD1 3.87Å; F721-L724 HydrophobicContact CB-CG 4.06Å; F721-L724 HydrophobicContact CG-CD1 4.44Å; F721-L724 PolarHBondContact O-N 3.19Å; P722-L724 PolarHBondContact O-N 3.43Å; L724-V928 HydrophobicContact CD1-CG1 3.73Å; L724-R929 HydrophobicContact CD1-CB 4.4Å; L724-R929 HydrophobicContact CD2-CB 4.08Å; L724-R929 HydrophobicContact CD2-CG 3.89Å; L724-W1014 WeakPolarHBondContact O-CH2 3.37Å
725	R	92.5	Very high	92.7	Very high	84 Å²	84	27.1 Å²	27.1	32%	0.317	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-39.7	175.3	-59.1	-172.4	-160.2	167.7	11	112.1	Q718 P722 H723 W954 E1018	Q718-R725 PolarHBondContact O-NH2 2.93Å; P722-R725 WeakPolarHBondContact O-CB 3.35Å; P722-R725 WeakPolarHBondContact O-CG 3.3Å; P722-R725 PolarHBondContact O-N 3.13Å; P722-R725 VanDerWaalsContact O-N 3.14Å; H723-R725 VanDerWaalsContact C-N 3.26Å; H723-R725 PolarHBondContact O-N 3.46Å; R725-W954 HydrophobicContact CG-CH2 4.36Å; R725-W954 HydrophobicContact CG-CZ2 4.03Å; R725-E1018 WeakPolarHBondContact CB-OE1 3.4Å; R725-E1018 WeakPolarHBondContact CG-OE1 3.49Å
726	N	90.6	Very high	92	Very high	73 Å²	73	28.9 Å²	28.9	39%	0.39	15%	0.151	S	C	.	.	S	Bend	trans	-96.8	113.2	-178.5	-58.6	-36.2	0	0	0	108.8	S750 G751 L752 I754	N726-S750 WeakPolarHBondContact O-CA 3.44Å; N726-G751 WeakPolarHBondContact CB-O 3.46Å; N726-G751 PolarHBondContact O-N 2.62Å; N726-L752 PolarHBondContact ND2-O 2.96Å; N726-I754 HydrophobicContact CB-CD1 4.32Å; N726-I754 HydrophobicContact CB-CG1 4.34Å; N726-I754 HydrophobicContact CB-CG2 4.1Å
727	R	92.5	Very high	91.3	Very high	19 Å²	19	34.7 Å²	34.7	7%	0.072	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	151.7	177.9	70.1	175.2	-176.9	-176	6.3	112.5	D744 V748 V749 W1014	R727-D744 IonicContact CZ-OD2 2.59Å; R727-D744 IonicContact NH1-OD2 2.9Å; R727-D744 IonicContact NH2-OD2 3.83Å; R727-D744 PolarHBondContact NH2-OD2 3.11Å; R727-V748 HydrophobicContact CB-CG1 3.79Å; R727-V748 HydrophobicContact CG-CG1 4.29Å; R727-V749 CarbonylContact C-O 3.56Å; R727-V749 WeakPolarHBondContact CA-O 3.38Å; R727-W1014 HydrophobicContact CG-CH2 3.98Å; R727-W1014 HydrophobicContact CG-CZ2 3.93Å; R727-W1014 VanDerWaalsContact NE-CZ2 3.29Å; R727-W1014 VanDerWaalsContact NH1-CE3 3.27Å; R727-W1014 VanDerWaalsContact NH2-CE3 3.28Å
728	V	94.8	Very high	90.6	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	149.7	167	-57.4	0	0	0	0	109.9	L730 V749 I754 L757 L758 T790	V728-L730 HydrophobicContact CG2-CD2 4.09Å; V728-V749 HydrophobicContact CG2-CB 3.87Å; V728-V749 PolarHBondContact N-O 3Å; V728-V749 PolarHBondContact O-N 3.47Å; V728-I754 HydrophobicContact CG1-CD1 3.74Å; V728-L757 HydrophobicContact CG2-CD2 3.44Å; V728-L757 VanDerWaalsContact CG2-CD2 3.44Å; V728-L757 HydrophobicContact CG2-CG 4.29Å; V728-L758 HydrophobicContact CG1-CD2 3.73Å; V728-T790 CarbonylContact C-O 3.55Å; V728-T790 WeakPolarHBondContact CA-O 3.48Å; V728-T790 HydrophobicContact CG1-CG2 3.93Å
729	I	94.4	Very high	89.6	Confident	3 Å²	3	39.1 Å²	39.1	2%	0.015	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.6	172.1	-51.3	-54.9	0	0	0	108	V742 D744 I747 V748 T790 V791 L792	I729-V742 HydrophobicContact CG2-CG1 4.37Å; I729-D744 VanDerWaalsContact CD1-O 3.3Å; I729-D744 WeakPolarHBondContact CD1-O 3.28Å; I729-I747 WeakPolarHBondContact CA-O 3.49Å; I729-V748 HydrophobicContact CD1-CG1 4.46Å; I729-V748 HydrophobicContact CD1-CG2 3.89Å; I729-T790 PolarHBondContact N-O 3.32Å; I729-V791 HydrophobicContact CB-CG2 4.4Å; I729-V791 CarbonylContact O-C 3.54Å; I729-V791 WeakPolarHBondContact O-CA 3.36Å; I729-L792 PolarHBondContact O-N 3.19Å
730	L	93	Very high	88.8	Confident	2 Å²	2	44 Å²	44	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	137.9	174.9	-57.1	-170.9	0	0	0	110.6	V728 I747 V749 L792 L797 I800 I813 I818 L843	V728-L730 HydrophobicContact CG2-CD2 4.09Å; L730-I747 HydrophobicContact CB-CB 4.22Å; L730-I747 HydrophobicContact CB-CG2 3.83Å; L730-I747 HydrophobicContact CD1-CG2 4.2Å; L730-I747 HydrophobicContact CG-CG2 4.24Å; L730-I747 PolarHBondContact N-O 3.16Å; L730-V749 HydrophobicContact CD1-CG2 3.57Å; L730-V749 HydrophobicContact CD2-CG2 4.34Å; L730-V749 HydrophobicContact CG-CG2 3.79Å; L730-L792 HydrophobicContact CD2-CB 3.8Å; L730-L792 HydrophobicContact CD2-CD2 3.63Å; L730-L792 HydrophobicContact CD2-CG 4.23Å; L730-L797 HydrophobicContact CB-CD2 4.35Å; L730-I800 HydrophobicContact CD1-CD1 3.38Å; L730-I813 HydrophobicContact CD1-CD1 4.28Å; L730-I818 HydrophobicContact CD1-CD1 4.41Å; L730-L843 HydrophobicContact CD1-CD1 4.06Å
731	E	90.7	Very high	88	Confident	14 Å²	14	50.5 Å²	50.5	7%	0.065	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	155.7	170.3	68.3	-179	-177.3	0	0	110.2	D735 R764 V791 L792 T793 I794	E731-D735 HydrophobicContact CB-CB 4.49Å; E731-R764 IonicContact OE1-CZ 2.7Å; E731-R764 IonicContact OE1-NE 2.73Å; E731-R764 PolarHBondContact OE1-NE 2.99Å; E731-R764 IonicContact OE1-NH2 3.2Å; E731-R764 PolarHBondContact OE1-NH2 3.33Å; E731-R764 IonicContact OE2-CZ 3.24Å; E731-R764 IonicContact OE2-NH2 3.79Å; E731-R764 PolarHBondContact OE2-NH2 2.88Å; E731-V791 HydrophobicContact CB-CG1 4.46Å; E731-V791 HydrophobicContact CG-CG1 3.72Å; E731-V791 WeakPolarHBondContact OE1-CG1 3.38Å; E731-L792 PolarHBondContact N-O 3.49Å; E731-L792 VanDerWaalsContact N-O 3.13Å; E731-T793 HydrophobicContact CG-CG2 4.14Å; E731-T793 WeakPolarHBondContact O-CA 3.4Å; E731-T793 PolarHBondContact OE1-OG1 2.85Å; E731-I794 PolarHBondContact O-N 3.35Å
732	S	89.7	Confident	87.5	Confident	8 Å²	8	51.5 Å²	51.5	6%	0.056	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	156.5	171.4	69.2	0	0	0	0	111.5	E734 D735 A736 I794	S732-E734 PolarHBondContact O-N 2.89Å; S732-D735 WeakPolarHBondContact CB-OD2 3.36Å; S732-D735 PolarHBondContact N-OD2 3.25Å; S732-D735 PolarHBondContact O-N 3.34Å; S732-D735 VanDerWaalsContact O-N 3.15Å; S732-D735 PolarHBondContact OG-N 3.46Å; S732-D735 PolarHBondContact OG-OD2 3.2Å; S732-A736 PolarHBondContact O-N 2.9Å; S732-I794 CarbonylContact C-O 3.51Å; S732-I794 WeakPolarHBondContact CA-O 3.39Å
733	A	86.2	Confident	87.2	Confident	39 Å²	39	51.9 Å²	51.9	32%	0.322	28%	0.283	S	S	.	.	H	α-helix	trans	-57.8	-33.1	169.2	0	0	0	0	0	112	A736 T737 T793 I794	A733-A736 PolarHBondContact O-N 3.38Å; A733-T737 WeakPolarHBondContact O-CB 3.37Å; A733-T737 WeakPolarHBondContact O-CG2 3.26Å; A733-T737 PolarHBondContact O-N 2.98Å; A733-T737 PolarHBondContact O-OG1 3.3Å; A733-T793 HydrophobicContact CB-CG2 4.32Å; A733-I794 PolarHBondContact N-O 3.36Å
734	E	85.6	Confident	87.1	Confident	148 Å²	148	51.9 Å²	51.9	69%	0.692	28%	0.283	S	S	*	.	H	α-helix	trans	-64	-45.1	173.5	-65.1	178.6	-175.9	0	0	111.8	S732 A736 T737 A738	S732-E734 PolarHBondContact O-N 2.89Å; E734-A736 VanDerWaalsContact C-N 3.34Å; E734-A736 PolarHBondContact O-N 3.39Å; E734-T737 WeakPolarHBondContact CA-OG1 3.27Å; E734-T737 PolarHBondContact O-N 3.16Å; E734-T737 PolarHBondContact O-OG1 2.89Å; E734-A738 WeakPolarHBondContact O-CB 3.15Å; E734-A738 PolarHBondContact O-N 3.19Å
735	D	84	Confident	86.9	Confident	31 Å²	31	52 Å²	52	17%	0.166	28%	0.284	C	S	.	.	H	α-helix	trans	-63.2	-41.6	176.8	-65.8	-50.8	0	0	0	111.8	E731 S732 G739 R740	E731-D735 HydrophobicContact CB-CB 4.49Å; S732-D735 WeakPolarHBondContact CB-OD2 3.36Å; S732-D735 PolarHBondContact N-OD2 3.25Å; S732-D735 PolarHBondContact O-N 3.34Å; S732-D735 VanDerWaalsContact O-N 3.15Å; S732-D735 PolarHBondContact OG-N 3.46Å; S732-D735 PolarHBondContact OG-OD2 3.2Å; D735-G739 PolarHBondContact O-N 3.47Å; D735-R740 PolarHBondContact O-N 3.11Å; D735-R740 VanDerWaalsContact OD1-CD 3.25Å; D735-R740 WeakPolarHBondContact OD1-CD 3.41Å; D735-R740 IonicContact OD1-CZ 2.99Å; D735-R740 IonicContact OD1-NE 3.3Å; D735-R740 IonicContact OD1-NH1 2.81Å; D735-R740 PolarHBondContact OD1-NH1 2.87Å
736	A	82.9	Confident	86.6	Confident	37 Å²	37	49 Å²	49	31%	0.306	28%	0.276	S	S	.	.	H	α-helix	trans	-64.1	-42.7	178.6	0	0	0	0	0	111.8	S732 A733 E734 G739 T793	S732-A736 PolarHBondContact O-N 2.9Å; A733-A736 PolarHBondContact O-N 3.38Å; E734-A736 VanDerWaalsContact C-N 3.34Å; E734-A736 PolarHBondContact O-N 3.39Å; A736-G739 PolarHBondContact O-N 3.04Å; A736-T793 HydrophobicContact CB-CG2 3.8Å
737	T	82.1	Confident	86.8	Confident	122 Å²	122	46.6 Å²	46.6	75%	0.748	26%	0.263	S	S	*	.	H	α-helix	trans	-74.3	-33.8	178.8	48.5	0	0	0	0	113.1	A733 E734 G739	A733-T737 WeakPolarHBondContact O-CB 3.37Å; A733-T737 WeakPolarHBondContact O-CG2 3.26Å; A733-T737 PolarHBondContact O-N 2.98Å; A733-T737 PolarHBondContact O-OG1 3.3Å; E734-T737 WeakPolarHBondContact CA-OG1 3.27Å; E734-T737 PolarHBondContact O-N 3.16Å; E734-T737 PolarHBondContact O-OG1 2.89Å; T737-G739 PolarHBondContact O-N 3.37Å; T737-G739 VanDerWaalsContact O-N 3.13Å
738	A	82.2	Confident	86.9	Confident	70 Å²	70	45.7 Å²	45.7	58%	0.579	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-4.3	173.6	0	0	0	0	0	113.4	E734 R740	E734-A738 WeakPolarHBondContact O-CB 3.15Å; E734-A738 PolarHBondContact O-N 3.19Å; A738-R740 HydrophobicContact CB-CG 4.25Å; A738-R740 PolarHBondContact O-N 3.29Å
739	G	73.5	Confident	86.9	Confident	63 Å²	63	45.7 Å²	45.7	65%	0.649	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	23.4	-178.4	0	0	0	0	0	113	D735 A736 T737 R741	D735-G739 PolarHBondContact O-N 3.47Å; A736-G739 PolarHBondContact O-N 3.04Å; T737-G739 PolarHBondContact O-N 3.37Å; T737-G739 VanDerWaalsContact O-N 3.13Å; G739-R741 PolarHBondContact O-N 3.28Å
740	R	75.3	Confident	87	Confident	169 Å²	169	45.6 Å²	45.6	64%	0.638	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-62.8	129.7	176.9	-75.1	178.9	176	178.4	-2.3	109.1	D735 A738 V742	D735-R740 PolarHBondContact O-N 3.11Å; D735-R740 VanDerWaalsContact OD1-CD 3.25Å; D735-R740 WeakPolarHBondContact OD1-CD 3.41Å; D735-R740 IonicContact OD1-CZ 2.99Å; D735-R740 IonicContact OD1-NE 3.3Å; D735-R740 IonicContact OD1-NH1 2.81Å; D735-R740 PolarHBondContact OD1-NH1 2.87Å; A738-R740 HydrophobicContact CB-CG 4.25Å; A738-R740 PolarHBondContact O-N 3.29Å; R740-V742 PolarHBondContact O-N 3.32Å
741	R	77.6	Confident	87	Confident	147 Å²	147	45.5 Å²	45.5	56%	0.555	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-73.3	118.5	-177	-170.5	170.9	-178	172.4	-3.7	110.3	G739 R1003	G739-R741 PolarHBondContact O-N 3.28Å; R741-R1003 PolarHBondContact O-NH2 3.07Å
742	V	84.3	Confident	87.1	Confident	22 Å²	22	48.3 Å²	48.3	13%	0.133	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-53.9	136.3	178.6	-177.4	0	0	0	0	111.7	I729 R740 V766 V791	I729-V742 HydrophobicContact CG2-CG1 4.37Å; R740-V742 PolarHBondContact O-N 3.32Å; V742-V766 HydrophobicContact CG2-CG2 4.47Å; V742-V791 HydrophobicContact CG1-CG2 3.8Å; V742-V791 HydrophobicContact CG2-CG2 4.45Å
743	T	89.2	Confident	87.1	Confident	37 Å²	37	52 Å²	52	23%	0.227	29%	0.293	C	S	.	.			trans	-110.2	159.2	167.2	61.8	0	0	0	0	109.7	N745 S746	T743-N745 VanDerWaalsContact C-N 3.27Å; T743-N745 WeakPolarHBondContact CB-OD1 3.34Å; T743-N745 PolarHBondContact O-N 3.3Å; T743-N745 PolarHBondContact OG1-OD1 3.39Å; T743-S746 WeakPolarHBondContact OG1-CB 3.34Å; T743-S746 PolarHBondContact OG1-OG 3.22Å
744	D	92.1	Very high	87.4	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	28%	0.283	C	S	.	.	S	Bend	trans	-87.2	3.9	-179.5	77.2	-63.1	0	0	0	113.7	R727 I729 Y768 L789 R1010	R727-D744 IonicContact CZ-OD2 2.59Å; R727-D744 IonicContact NH1-OD2 2.9Å; R727-D744 IonicContact NH2-OD2 3.83Å; R727-D744 PolarHBondContact NH2-OD2 3.11Å; I729-D744 VanDerWaalsContact CD1-O 3.3Å; I729-D744 WeakPolarHBondContact CD1-O 3.28Å; D744-Y768 HydrophobicContact CB-CD1 4.16Å; D744-Y768 HydrophobicContact CB-CE1 3.79Å; D744-Y768 HydrophobicContact CB-CE2 4.35Å; D744-Y768 WeakPolarHBondContact OD1-CE1 3.4Å; D744-Y768 PolarHBondContact OD1-OH 3.36Å; D744-L789 HydrophobicContact CB-CD1 3.68Å; D744-L789 HydrophobicContact CB-CD2 3.86Å; D744-L789 HydrophobicContact CB-CG 4.43Å; D744-R1010 IonicContact OD1-CZ 3.81Å; D744-R1010 IonicContact OD1-NE 2.75Å; D744-R1010 PolarHBondContact OD1-NE 3.15Å; D744-R1010 IonicContact OD1-NH2 2.61Å; D744-R1010 PolarHBondContact OD1-NH2 3.22Å; D744-R1010 IonicContact OD2-CZ 2.88Å; D744-R1010 IonicContact OD2-NE 3.93Å; D744-R1010 PolarHBondContact OD2-NE 2.91Å; D744-R1010 IonicContact OD2-NH2 3.96Å; D744-R1010 PolarHBondContact OD2-NH2 3.17Å
745	N	92.6	Very high	87.7	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.011	28%	0.278	C	S	.	.	S	Bend	trans	-145.7	9.1	-161.8	68.8	-20.1	0	0	0	116.2	T743 R846 Q932 V933 D935	T743-N745 VanDerWaalsContact C-N 3.27Å; T743-N745 WeakPolarHBondContact CB-OD1 3.34Å; T743-N745 PolarHBondContact O-N 3.3Å; T743-N745 PolarHBondContact OG1-OD1 3.39Å; N745-R846 PolarHBondContact ND2-NH2 3.33Å; N745-Q932 WeakPolarHBondContact CB-O 3.44Å; N745-V933 WeakPolarHBondContact O-CA 3.28Å; N745-V933 WeakPolarHBondContact O-CG1 3.44Å; N745-D935 PolarHBondContact ND2-OD1 3.01Å
746	S	86.1	Confident	87.9	Confident	23 Å²	23	51.8 Å²	51.8	16%	0.161	29%	0.287	C	S	.	.	S	Bend	trans	-78.3	-59.8	178.5	51.7	0	0	0	0	112.1	T743 S845 R846	T743-S746 WeakPolarHBondContact OG1-CB 3.34Å; T743-S746 PolarHBondContact OG1-OG 3.22Å; S746-S845 WeakPolarHBondContact O-CA 3.42Å; S746-S845 WeakPolarHBondContact O-CB 3.38Å; S746-R846 PolarHBondContact O-N 3.31Å
747	I	93.4	Very high	88.2	Confident	22 Å²	22	50 Å²	50	11%	0.113	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	97.1	179.3	-50.5	177.7	0	0	0	108.4	I729 L730 L797 L843	I729-I747 WeakPolarHBondContact CA-O 3.49Å; L730-I747 HydrophobicContact CB-CB 4.22Å; L730-I747 HydrophobicContact CB-CG2 3.83Å; L730-I747 HydrophobicContact CD1-CG2 4.2Å; L730-I747 HydrophobicContact CG-CG2 4.24Å; L730-I747 PolarHBondContact N-O 3.16Å; I747-L797 HydrophobicContact CD1-CD1 3.79Å; I747-L797 HydrophobicContact CD1-CD2 3.83Å; I747-L797 HydrophobicContact CD1-CG 4.47Å; I747-L843 HydrophobicContact CG2-CD1 3.8Å; I747-L843 HydrophobicContact CG2-CD2 4.44Å; I747-L843 HydrophobicContact CG2-CG 4.14Å
748	V	95.3	Very high	88.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	127.2	-175.3	-173.2	0	0	0	0	109.2	R727 I729 L843 T844	R727-V748 HydrophobicContact CB-CG1 3.79Å; R727-V748 HydrophobicContact CG-CG1 4.29Å; I729-V748 HydrophobicContact CD1-CG1 4.46Å; I729-V748 HydrophobicContact CD1-CG2 3.89Å; V748-L843 CarbonylContact O-C 3.47Å; V748-L843 WeakPolarHBondContact O-CA 3.31Å; V748-T844 PolarHBondContact N-O 2.88Å; V748-T844 PolarHBondContact O-N 2.87Å
749	V	95.4	Very high	88.8	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	125	167.3	-177.4	0	0	0	0	109	R727 V728 L730 L757 I818 L841 I842 L843	R727-V749 CarbonylContact C-O 3.56Å; R727-V749 WeakPolarHBondContact CA-O 3.38Å; V728-V749 HydrophobicContact CG2-CB 3.87Å; V728-V749 PolarHBondContact N-O 3Å; V728-V749 PolarHBondContact O-N 3.47Å; L730-V749 HydrophobicContact CD1-CG2 3.57Å; L730-V749 HydrophobicContact CD2-CG2 4.34Å; L730-V749 HydrophobicContact CG-CG2 3.79Å; V749-L757 HydrophobicContact CB-CD2 3.86Å; V749-L757 HydrophobicContact CG1-CD2 3.55Å; V749-L757 HydrophobicContact CG2-CD2 4.36Å; V749-I818 HydrophobicContact CG1-CG2 4.18Å; V749-I818 HydrophobicContact CG2-CD1 4.4Å; V749-I818 HydrophobicContact CG2-CG2 4.2Å; V749-L841 HydrophobicContact CG1-CB 3.99Å; V749-L841 HydrophobicContact CG1-CD2 4.42Å; V749-I842 WeakPolarHBondContact CA-O 3.49Å; V749-L843 HydrophobicContact CG2-CB 4.17Å; V749-L843 HydrophobicContact CG2-CD1 4.02Å; V749-L843 HydrophobicContact CG2-CG 4.2Å
750	S	95	Very high	89.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	152.8	-179.1	-49.8	0	0	0	0	110.6	N726 I842 Q932	N726-S750 WeakPolarHBondContact O-CA 3.44Å; S750-I842 PolarHBondContact N-O 3.27Å; S750-I842 PolarHBondContact O-N 3.19Å; S750-Q932 PolarHBondContact OG-NE2 3.04Å
751	G	93.5	Very high	89.6	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.214	C	C	.	.			trans	179.8	165.8	178.1	0	0	0	0	0	112.3	H723 N726	H723-G751 PolarHBondContact O-N 3.37Å; H723-G751 VanDerWaalsContact O-N 3.14Å; N726-G751 WeakPolarHBondContact CB-O 3.46Å; N726-G751 PolarHBondContact O-N 2.62Å
752	L	92	Very high	90.2	Very high	74 Å²	74	39.5 Å²	39.5	39%	0.387	22%	0.215	S	C	.	.	S	Bend	trans	-62.3	-47.3	176.5	-79.8	175.6	0	0	0	112	P722 H723 N726 V837	P722-L752 HydrophobicContact CB-CD2 4.34Å; P722-L752 HydrophobicContact CG-CD2 4.01Å; H723-L752 HydrophobicContact CB-CD2 4.29Å; H723-L752 HydrophobicContact CB-CG 4.13Å; N726-L752 PolarHBondContact ND2-O 2.96Å; L752-V837 HydrophobicContact CD1-CB 4.46Å; L752-V837 HydrophobicContact CD1-CG1 3.79Å; L752-V837 HydrophobicContact CD2-CG1 3.85Å; L752-V837 HydrophobicContact CG-CG1 3.82Å
753	D	91.6	Very high	90.5	Very high	85 Å²	85	41.4 Å²	41.4	46%	0.455	23%	0.227	S	C	.	.			trans	-124	108.4	176.2	-173.7	11	0	0	0	110.9	K755	D753-K755 VanDerWaalsContact OD1-CB 3.24Å; D753-K755 WeakPolarHBondContact OD1-CB 3.39Å; D753-K755 WeakPolarHBondContact OD1-CD 3.22Å; D753-K755 WeakPolarHBondContact OD1-CG 3.48Å; D753-K755 PolarHBondContact OD1-N 3.4Å
754	I	91.2	Very high	90.6	Very high	23 Å²	23	44 Å²	44	12%	0.118	23%	0.232	C	C	.	.			trans	-89.1	-3.8	178.2	59.6	167.7	0	0	0	113.1	N726 V728 P756 L757 L758 L841	N726-I754 HydrophobicContact CB-CD1 4.32Å; N726-I754 HydrophobicContact CB-CG1 4.34Å; N726-I754 HydrophobicContact CB-CG2 4.1Å; V728-I754 HydrophobicContact CG1-CD1 3.74Å; I754-P756 VanDerWaalsContact C-CD 3.44Å; I754-L757 WeakPolarHBondContact O-CB 3.42Å; I754-L757 PolarHBondContact O-N 2.84Å; I754-L758 HydrophobicContact CD1-CD1 4.34Å; I754-L758 HydrophobicContact CG1-CD1 4.35Å; I754-L758 PolarHBondContact O-N 3.19Å; I754-L841 HydrophobicContact CG2-CD2 4.04Å
755	K	91.7	Very high	90.6	Very high	136 Å²	136	49.7 Å²	49.7	59%	0.591	26%	0.259	S	S	*	.	H	α-helix	trans	-55.1	-41.8	-176.3	-69.5	169.6	-173.3	172.8	0	114.2	D753 L757 L758 Q759	D753-K755 VanDerWaalsContact OD1-CB 3.24Å; D753-K755 WeakPolarHBondContact OD1-CB 3.39Å; D753-K755 WeakPolarHBondContact OD1-CD 3.22Å; D753-K755 WeakPolarHBondContact OD1-CG 3.48Å; D753-K755 PolarHBondContact OD1-N 3.4Å; K755-L757 PolarHBondContact O-N 3.18Å; K755-L758 PolarHBondContact O-N 3.34Å; K755-L758 VanDerWaalsContact O-N 3.1Å; K755-Q759 PolarHBondContact O-N 3.46Å
756	P	89.2	Confident	90.5	Very high	54 Å²	54	51.2 Å²	51.2	35%	0.351	27%	0.268	S	S	.	.	H	α-helix	trans	-57.2	-39.6	177.5	-25	35.4	0	0	0	111.8	I754 L758 Q759 V816	I754-P756 VanDerWaalsContact C-CD 3.44Å; P756-L758 VanDerWaalsContact C-N 3.35Å; P756-L758 PolarHBondContact O-N 3.2Å; P756-Q759 PolarHBondContact O-N 2.98Å; P756-V816 HydrophobicContact CB-CG1 4.45Å; P756-V816 HydrophobicContact CB-CG2 4.02Å; P756-V816 WeakPolarHBondContact O-CG2 3.28Å
757	L	88.5	Confident	90.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-72.6	-26.5	-179.6	-171.9	60.8	0	0	0	113	V728 V749 I754 K755 Q759 V760 L792 V816 I818 L841	V728-L757 HydrophobicContact CG2-CD2 3.44Å; V728-L757 VanDerWaalsContact CG2-CD2 3.44Å; V728-L757 HydrophobicContact CG2-CG 4.29Å; V749-L757 HydrophobicContact CB-CD2 3.86Å; V749-L757 HydrophobicContact CG1-CD2 3.55Å; V749-L757 HydrophobicContact CG2-CD2 4.36Å; I754-L757 WeakPolarHBondContact O-CB 3.42Å; I754-L757 PolarHBondContact O-N 2.84Å; K755-L757 PolarHBondContact O-N 3.18Å; L757-Q759 PolarHBondContact O-N 2.88Å; L757-V760 HydrophobicContact CD1-CG2 3.79Å; L757-V760 WeakPolarHBondContact O-CG2 3.41Å; L757-L792 HydrophobicContact CD1-CD2 3.77Å; L757-L792 HydrophobicContact CG-CD2 3.74Å; L757-L792 WeakPolarHBondContact O-CD2 3.47Å; L757-V816 HydrophobicContact CB-CG1 4.38Å; L757-V816 HydrophobicContact CD1-CG1 4.2Å; L757-I818 HydrophobicContact CD1-CD1 3.69Å; L757-I818 HydrophobicContact CD1-CG1 4.34Å; L757-I818 HydrophobicContact CD2-CD1 4.39Å; L757-L841 HydrophobicContact CB-CD1 3.91Å; L757-L841 HydrophobicContact CD2-CD1 4.35Å
758	L	89.9	Confident	90.7	Very high	53 Å²	53	54.4 Å²	54.4	28%	0.277	29%	0.287	S	S	.	.	H	α-helix	trans	-72.6	-17.9	175.2	-61.7	178.9	0	0	0	112.9	V728 I754 K755 P756 V763 T790	V728-L758 HydrophobicContact CG1-CD2 3.73Å; I754-L758 HydrophobicContact CD1-CD1 4.34Å; I754-L758 HydrophobicContact CG1-CD1 4.35Å; I754-L758 PolarHBondContact O-N 3.19Å; K755-L758 PolarHBondContact O-N 3.34Å; K755-L758 VanDerWaalsContact O-N 3.1Å; P756-L758 VanDerWaalsContact C-N 3.35Å; P756-L758 PolarHBondContact O-N 3.2Å; L758-V763 HydrophobicContact CB-CG2 4.11Å; L758-V763 HydrophobicContact CD2-CG1 4.21Å; L758-V763 HydrophobicContact CD2-CG2 3.95Å; L758-V763 VanDerWaalsContact O-CG2 3.24Å; L758-V763 WeakPolarHBondContact O-CG2 3.48Å; L758-T790 HydrophobicContact CD2-CG2 3.63Å
759	Q	87.8	Confident	90.6	Very high	165 Å²	165	54.9 Å²	54.9	77%	0.771	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-12.1	-178.5	-65.8	174.8	0.8	0	0	113.2	K755 P756 L757	K755-Q759 PolarHBondContact O-N 3.46Å; P756-Q759 PolarHBondContact O-N 2.98Å; L757-Q759 PolarHBondContact O-N 2.88Å
760	V	82.2	Confident	90.4	Very high	19 Å²	19	55.3 Å²	55.3	12%	0.115	30%	0.296	C	S	.	.	S	Bend	trans	-87.9	-18	-173.1	-69.1	0	0	0	0	114.8	L757 L792 I813 N814 V816	L757-V760 HydrophobicContact CD1-CG2 3.79Å; L757-V760 WeakPolarHBondContact O-CG2 3.41Å; V760-L792 HydrophobicContact CG2-CD2 4.14Å; V760-I813 WeakPolarHBondContact CG1-O 3.32Å; V760-I813 HydrophobicContact CG2-CG2 4.36Å; V760-N814 HydrophobicContact CB-CB 3.87Å; V760-N814 HydrophobicContact CG1-CB 3.92Å; V760-N814 PolarHBondContact O-ND2 3.42Å; V760-V816 HydrophobicContact CG1-CB 3.97Å; V760-V816 HydrophobicContact CG1-CG2 3.35Å
761	A	83.2	Confident	90.2	Very high	28 Å²	28	64.1 Å²	64.1	23%	0.231	33%	0.329	C	S	.	.	S	Bend	trans	-154.8	-175	-175.4	0	0	0	0	0	112.6	V763 L792 T793 I794	A761-V763 PolarHBondContact O-N 3.33Å; A761-L792 HydrophobicContact CB-CD1 3.73Å; A761-L792 HydrophobicContact CB-CD2 4.4Å; A761-L792 HydrophobicContact CB-CG 3.88Å; A761-T793 VanDerWaalsContact CB-O 3.24Å; A761-T793 WeakPolarHBondContact CB-O 3.31Å; A761-I794 HydrophobicContact CB-CG2 3.84Å
762	C	89.1	Confident	90	Very high	85 Å²	85	64.3 Å²	64.3	57%	0.574	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	117.9	-179.2	-173	0	0	0	0	110.2	L792 T793	C762-L792 WeakPolarHBondContact O-CA 3.26Å; C762-T793 PolarHBondContact N-O 3.4Å; C762-T793 PolarHBondContact O-N 2.91Å
763	V	92.3	Very high	89.6	Confident	63 Å²	63	65 Å²	65	38%	0.382	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	130.3	177	-176.8	0	0	0	0	109.5	L758 A761 T790 V791 L792	L758-V763 HydrophobicContact CB-CG2 4.11Å; L758-V763 HydrophobicContact CD2-CG1 4.21Å; L758-V763 HydrophobicContact CD2-CG2 3.95Å; L758-V763 VanDerWaalsContact O-CG2 3.24Å; L758-V763 WeakPolarHBondContact O-CG2 3.48Å; A761-V763 PolarHBondContact O-N 3.33Å; V763-T790 HydrophobicContact CG1-CG2 3.61Å; V763-V791 WeakPolarHBondContact CA-O 3.24Å; V763-L792 HydrophobicContact CG2-CD1 3.61Å
764	R	91.2	Very high	89.1	Confident	90 Å²	90	62.3 Å²	62.3	34%	0.34	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145	169.9	66.4	-171.3	-174.9	112.3	-7.8	110.9	E731 V766 V791	E731-R764 IonicContact OE1-CZ 2.7Å; E731-R764 IonicContact OE1-NE 2.73Å; E731-R764 PolarHBondContact OE1-NE 2.99Å; E731-R764 IonicContact OE1-NH2 3.2Å; E731-R764 PolarHBondContact OE1-NH2 3.33Å; E731-R764 IonicContact OE2-CZ 3.24Å; E731-R764 IonicContact OE2-NH2 3.79Å; E731-R764 PolarHBondContact OE2-NH2 2.88Å; R764-V766 HydrophobicContact CG-CG2 4.35Å; R764-V791 HydrophobicContact CG-CB 3.81Å; R764-V791 HydrophobicContact CG-CG1 4.36Å; R764-V791 PolarHBondContact N-O 3.21Å; R764-V791 PolarHBondContact O-N 2.87Å
765	E	91.7	Very high	88.2	Confident	121 Å²	121	66.5 Å²	66.5	57%	0.565	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	126	170.6	-66.2	-165.1	149.3	0	0	109.8	K788 L789	E765-K788 IonicContact OE1-NZ 3.93Å; E765-K788 WeakPolarHBondContact OE2-CD 3.26Å; E765-K788 WeakPolarHBondContact OE2-CE 3.28Å; E765-K788 IonicContact OE2-NZ 2.76Å; E765-K788 PolarHBondContact OE2-NZ 3.28Å; E765-L789 WeakPolarHBondContact CA-O 3.43Å
766	V	90.5	Very high	87.1	Confident	34 Å²	34	65.1 Å²	65.1	21%	0.206	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.4	174.2	179.8	0	0	0	0	108.9	V742 R764 Y768 L789 V791	V742-V766 HydrophobicContact CG2-CG2 4.47Å; R764-V766 HydrophobicContact CG-CG2 4.35Å; V766-Y768 PolarHBondContact O-N 3.44Å; V766-L789 PolarHBondContact N-O 2.95Å; V766-L789 PolarHBondContact O-N 2.99Å; V766-V791 HydrophobicContact CB-CG2 4.14Å; V766-V791 HydrophobicContact CG2-CB 4.46Å; V766-V791 HydrophobicContact CG2-CG2 3.68Å
767	T	91.1	Very high	86.1	Confident	99 Å²	99	66 Å²	66	61%	0.607	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	118.5	171.5	-60.5	0	0	0	0	108.7	F786	T767-F786 HydrophobicContact CG2-CB 3.86Å; T767-F786 HydrophobicContact CG2-CD1 3.58Å; T767-F786 HydrophobicContact CG2-CE1 4.33Å; T767-F786 HydrophobicContact CG2-CG 3.86Å
768	Y	91.5	Very high	85.4	Confident	14 Å²	14	71.9 Å²	71.9	6%	0.055	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133.8	-177.3	-176.9	-97.5	0	0	0	111.2	D744 V766 F786 T787 L789 Q1007 R1010	D744-Y768 HydrophobicContact CB-CD1 4.16Å; D744-Y768 HydrophobicContact CB-CE1 3.79Å; D744-Y768 HydrophobicContact CB-CE2 4.35Å; D744-Y768 WeakPolarHBondContact OD1-CE1 3.4Å; D744-Y768 PolarHBondContact OD1-OH 3.36Å; V766-Y768 PolarHBondContact O-N 3.44Å; Y768-F786 CarbonylContact O-C 3.56Å; Y768-F786 VanDerWaalsContact O-CA 3.31Å; Y768-F786 WeakPolarHBondContact O-CA 3.24Å; Y768-T787 HydrophobicContact CD1-CG2 4.3Å; Y768-T787 PolarHBondContact N-O 3.45Å; Y768-T787 PolarHBondContact O-N 3.12Å; Y768-L789 HydrophobicContact CD1-CD1 4.21Å; Y768-L789 HydrophobicContact CD2-CD1 3.73Å; Y768-L789 HydrophobicContact CG-CD1 3.54Å; Y768-L789 HydrophobicContact CG-CG 4.17Å; Y768-Q1007 HydrophobicContact CE1-CB 4.19Å; Y768-Q1007 HydrophobicContact CE1-CG 4.33Å; Y768-Q1007 HydrophobicContact CE2-CB 4.24Å; Y768-Q1007 HydrophobicContact CE2-CG 3.66Å; Y768-R1010 HydrophobicContact CE1-CB 4.37Å
769	G	93.5	Very high	84.9	Confident	10 Å²	10	76.2 Å²	76.2	10%	0.103	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	143.3	-155.6	-178.6	0	0	0	0	0	111.9	Y785 F786	G769-Y785 CarbonylContact C-O 3.56Å; G769-Y785 WeakPolarHBondContact CA-O 3.47Å; G769-F786 VanDerWaalsContact C-CE1 3.44Å
770	G	92.7	Very high	84.6	Confident	8 Å²	8	77.7 Å²	77.7	8%	0.082	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.6	-164.8	-178.1	0	0	0	0	0	112.7	Y785 A1008	G770-Y785 PolarHBondContact N-O 3.31Å; G770-Y785 PolarHBondContact O-N 3.16Å; G770-A1008 VanDerWaalsContact C-CB 3.44Å
771	R	90.4	Very high	84.7	Confident	186 Å²	186	83 Å²	83	70%	0.702	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.1	-179.4	-64.3	-176.2	-179.1	169.3	2.8	110.7
772	L	88.3	Confident	84.8	Confident	3 Å²	3	86.9 Å²	86.9	2%	0.016	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	141.9	170.6	-61.2	-179.5	0	0	0	108.7	D782 V783 Y785 Y1005 A1008 M1009 K1012	L772-D782 WeakPolarHBondContact O-CA 3.36Å; L772-V783 PolarHBondContact N-O 3.47Å; L772-V783 PolarHBondContact O-N 2.95Å; L772-Y785 HydrophobicContact CB-CD2 4.19Å; L772-Y785 HydrophobicContact CB-CE2 4.22Å; L772-Y785 HydrophobicContact CD1-CD2 3.56Å; L772-Y785 HydrophobicContact CD1-CE2 3.8Å; L772-Y785 HydrophobicContact CD1-CG 4.46Å; L772-Y785 HydrophobicContact CG-CD2 3.9Å; L772-Y785 HydrophobicContact CG-CE2 4.31Å; L772-Y1005 HydrophobicContact CD2-CD2 3.35Å; L772-Y1005 HydrophobicContact CD2-CE2 3.37Å; L772-Y1005 HydrophobicContact CD2-CG 4.2Å; L772-A1008 HydrophobicContact CD1-CB 4.36Å; L772-A1008 HydrophobicContact CD2-CB 3.58Å; L772-A1008 HydrophobicContact CG-CB 3.71Å; L772-M1009 HydrophobicContact CD1-CE 3.68Å; L772-M1009 HydrophobicContact CD1-SD 4.45Å; L772-M1009 HydrophobicContact CD2-CE 4.18Å; L772-K1012 HydrophobicContact CD1-CB 4.49Å; L772-K1012 HydrophobicContact CD1-CD 3.85Å
773	V	84.6	Confident	84.9	Confident	88 Å²	88	84.2 Å²	84.2	53%	0.533	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	108.4	167.7	-171	0	0	0	0	106.9	R780 D782	V773-R780 HydrophobicContact CG1-CB 4.1Å; V773-R780 HydrophobicContact CG1-CG 4.5Å; V773-D782 WeakPolarHBondContact CG2-OD1 3.23Å
774	E	81	Confident	84.8	Confident	29 Å²	29	84.2 Å²	84.2	14%	0.136	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	140.1	173.3	-60.7	-161.2	143.6	0	0	110.3	H776 R780 K781 V783 Y785 K1012	E774-H776 IonicContact OE2-CD2 3.45Å; E774-H776 IonicContact OE2-CE1 3.7Å; E774-H776 IonicContact OE2-NE2 2.88Å; E774-H776 PolarHBondContact OE2-NE2 2.92Å; E774-R780 CarbonylContact O-C 3.2Å; E774-R780 WeakPolarHBondContact O-CA 3.37Å; E774-K781 PolarHBondContact N-O 3.27Å; E774-K781 PolarHBondContact O-N 3.4Å; E774-V783 HydrophobicContact CB-CG2 4.43Å; E774-V783 HydrophobicContact CG-CB 4.27Å; E774-V783 HydrophobicContact CG-CG2 3.92Å; E774-Y785 PolarHBondContact OE1-OH 3.21Å; E774-K1012 IonicContact OE1-NZ 3.17Å; E774-K1012 PolarHBondContact OE1-NZ 2.91Å
775	I	72.8	Confident	84.8	Confident	111 Å²	111	82 Å²	82	57%	0.569	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.5	112.1	176.6	-54.3	-178.2	0	0	0	107.8	G777 Q779 R780	I775-G777 WeakPolarHBondContact CG2-O 3.26Å; I775-Q779 CarbonylContact C-O 3.6Å; I775-Q779 WeakPolarHBondContact CA-O 3.36Å; I775-R780 HydrophobicContact CG1-CG 4.35Å
776	H	67	Low	84.9	Confident	107 Å²	107	81 Å²	81	50%	0.495	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	91.7	176	-67	-72	0	0	0	108.4	E774 S778 Q779	E774-H776 IonicContact OE2-CD2 3.45Å; E774-H776 IonicContact OE2-CE1 3.7Å; E774-H776 IonicContact OE2-NE2 2.88Å; E774-H776 PolarHBondContact OE2-NE2 2.92Å; H776-S778 PolarHBondContact O-N 2.86Å; H776-Q779 PolarHBondContact N-O 2.95Å; H776-Q779 PolarHBondContact O-N 3.29Å
777	G	69.8	Low	84.9	Confident	72 Å²	72	80.6 Å²	80.6	74%	0.742	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	-117.6	-170.8	0	0	0	0	0	111.2	I775	I775-G777 WeakPolarHBondContact CG2-O 3.26Å
778	S	73.8	Confident	84.9	Confident	125 Å²	125	82.3 Å²	82.3	87%	0.874	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-11.4	174.9	55.2	0	0	0	0	113.8	H776	H776-S778 PolarHBondContact O-N 2.86Å
779	Q	77.6	Confident	84.9	Confident	143 Å²	143	82 Å²	82	67%	0.668	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	131.6	-177.3	-64.5	-174.9	-4.9	0	0	111	I775 H776	I775-Q779 CarbonylContact C-O 3.6Å; I775-Q779 WeakPolarHBondContact CA-O 3.36Å; H776-Q779 PolarHBondContact N-O 2.95Å; H776-Q779 PolarHBondContact O-N 3.29Å
780	R	81.7	Confident	85	Confident	196 Å²	196	83 Å²	83	74%	0.74	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	125.1	168.9	-65.2	-172.7	178.8	178.3	0.7	108.9	V773 E774 I775	V773-R780 HydrophobicContact CG1-CB 4.1Å; V773-R780 HydrophobicContact CG1-CG 4.5Å; E774-R780 CarbonylContact O-C 3.2Å; E774-R780 WeakPolarHBondContact O-CA 3.37Å; I775-R780 HydrophobicContact CG1-CG 4.35Å
781	K	85.1	Confident	85	Confident	131 Å²	131	82.7 Å²	82.7	57%	0.57	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	121.2	179.6	-172.7	-178.8	-179.6	179.8	0	109.6	E774 V783	E774-K781 PolarHBondContact N-O 3.27Å; E774-K781 PolarHBondContact O-N 3.4Å; K781-V783 HydrophobicContact CB-CG2 4.39Å; K781-V783 HydrophobicContact CD-CG2 3.95Å; K781-V783 HydrophobicContact CG-CG2 3.86Å; K781-V783 PolarHBondContact O-N 3.06Å
782	D	85.6	Confident	85.1	Confident	110 Å²	110	73.8 Å²	73.8	59%	0.588	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	116.3	170.6	-76.2	0	0	0	0	109.3	L772 V773	L772-D782 WeakPolarHBondContact O-CA 3.36Å; V773-D782 WeakPolarHBondContact CG2-OD1 3.23Å
783	V	90.2	Very high	85.3	Confident	29 Å²	29	74.7 Å²	74.7	18%	0.176	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.5	-179.9	-172.9	0	0	0	0	109.2	L772 E774 K781 Y785	L772-V783 PolarHBondContact N-O 3.47Å; L772-V783 PolarHBondContact O-N 2.95Å; E774-V783 HydrophobicContact CB-CG2 4.43Å; E774-V783 HydrophobicContact CG-CB 4.27Å; E774-V783 HydrophobicContact CG-CG2 3.92Å; K781-V783 HydrophobicContact CB-CG2 4.39Å; K781-V783 HydrophobicContact CD-CG2 3.95Å; K781-V783 HydrophobicContact CG-CG2 3.86Å; K781-V783 PolarHBondContact O-N 3.06Å; V783-Y785 HydrophobicContact CB-CE2 3.76Å; V783-Y785 HydrophobicContact CG1-CD2 4.22Å; V783-Y785 HydrophobicContact CG1-CE1 4.34Å; V783-Y785 HydrophobicContact CG1-CE2 3.5Å
784	S	91.1	Very high	85.6	Confident	62 Å²	62	70.6 Å²	70.6	43%	0.434	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.3	177.4	-66.3	0	0	0	0	110.5
785	Y	92	Very high	85.9	Confident	44 Å²	44	73.7 Å²	73.7	17%	0.173	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	112.8	175.1	-69.2	-82.4	0	0	0	109	G769 G770 L772 E774 V783 K1012	G769-Y785 CarbonylContact C-O 3.56Å; G769-Y785 WeakPolarHBondContact CA-O 3.47Å; G770-Y785 PolarHBondContact N-O 3.31Å; G770-Y785 PolarHBondContact O-N 3.16Å; L772-Y785 HydrophobicContact CB-CD2 4.19Å; L772-Y785 HydrophobicContact CB-CE2 4.22Å; L772-Y785 HydrophobicContact CD1-CD2 3.56Å; L772-Y785 HydrophobicContact CD1-CE2 3.8Å; L772-Y785 HydrophobicContact CD1-CG 4.46Å; L772-Y785 HydrophobicContact CG-CD2 3.9Å; L772-Y785 HydrophobicContact CG-CE2 4.31Å; E774-Y785 PolarHBondContact OE1-OH 3.21Å; V783-Y785 HydrophobicContact CB-CE2 3.76Å; V783-Y785 HydrophobicContact CG1-CD2 4.22Å; V783-Y785 HydrophobicContact CG1-CE1 4.34Å; V783-Y785 HydrophobicContact CG1-CE2 3.5Å; Y785-K1012 HydrophobicContact CD1-CB 3.66Å; Y785-K1012 HydrophobicContact CD1-CD 4.17Å; Y785-K1012 HydrophobicContact CD1-CG 3.7Å; Y785-K1012 HydrophobicContact CD2-CB 4.3Å; Y785-K1012 HydrophobicContact CD2-CD 4.18Å; Y785-K1012 HydrophobicContact CD2-CG 4.49Å; Y785-K1012 HydrophobicContact CE1-CB 4.12Å; Y785-K1012 HydrophobicContact CE1-CD 3.79Å; Y785-K1012 HydrophobicContact CE1-CG 3.6Å; Y785-K1012 HydrophobicContact CE2-CD 3.79Å; Y785-K1012 HydrophobicContact CE2-CG 4.39Å; Y785-K1012 HydrophobicContact CG-CB 3.77Å; Y785-K1012 HydrophobicContact CG-CD 4.35Å; Y785-K1012 HydrophobicContact CG-CG 4.15Å
786	F	93.1	Very high	86.6	Confident	100 Å²	100	70.5 Å²	70.5	44%	0.439	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	142.7	177.7	-67.1	-73.1	0	0	0	110.7	T767 Y768 G769	T767-F786 HydrophobicContact CG2-CB 3.86Å; T767-F786 HydrophobicContact CG2-CD1 3.58Å; T767-F786 HydrophobicContact CG2-CE1 4.33Å; T767-F786 HydrophobicContact CG2-CG 3.86Å; Y768-F786 CarbonylContact O-C 3.56Å; Y768-F786 VanDerWaalsContact O-CA 3.31Å; Y768-F786 WeakPolarHBondContact O-CA 3.24Å; G769-F786 VanDerWaalsContact C-CE1 3.44Å
787	T	90.9	Very high	87.7	Confident	26 Å²	26	66.1 Å²	66.1	16%	0.16	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	153.1	169.3	-170.3	0	0	0	0	109.5	Y768 L789 A1011	Y768-T787 HydrophobicContact CD1-CG2 4.3Å; Y768-T787 PolarHBondContact N-O 3.45Å; Y768-T787 PolarHBondContact O-N 3.12Å; T787-L789 HydrophobicContact CG2-CD2 4.18Å; T787-A1011 HydrophobicContact CG2-CB 4.22Å
788	K	91.3	Very high	88.7	Confident	135 Å²	135	68.4 Å²	68.4	59%	0.587	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	124.4	169.6	-68.6	-177.6	165.7	-153.1	0	108.6	E765	E765-K788 IonicContact OE1-NZ 3.93Å; E765-K788 WeakPolarHBondContact OE2-CD 3.26Å; E765-K788 WeakPolarHBondContact OE2-CE 3.28Å; E765-K788 IonicContact OE2-NZ 2.76Å; E765-K788 PolarHBondContact OE2-NZ 3.28Å
789	L	91.4	Very high	89.6	Confident	6 Å²	6	65 Å²	65	3%	0.031	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	125.7	168.6	-63.5	-179.8	0	0	0	108.9	D744 E765 V766 Y768 T787 V791	D744-L789 HydrophobicContact CB-CD1 3.68Å; D744-L789 HydrophobicContact CB-CD2 3.86Å; D744-L789 HydrophobicContact CB-CG 4.43Å; E765-L789 WeakPolarHBondContact CA-O 3.43Å; V766-L789 PolarHBondContact N-O 2.95Å; V766-L789 PolarHBondContact O-N 2.99Å; Y768-L789 HydrophobicContact CD1-CD1 4.21Å; Y768-L789 HydrophobicContact CD2-CD1 3.73Å; Y768-L789 HydrophobicContact CG-CD1 3.54Å; Y768-L789 HydrophobicContact CG-CG 4.17Å; T787-L789 HydrophobicContact CG2-CD2 4.18Å; L789-V791 HydrophobicContact CB-CG2 4.39Å; L789-V791 PolarHBondContact O-N 2.95Å
790	T	93.8	Very high	90.2	Very high	33 Å²	33	58.3 Å²	58.3	20%	0.202	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	112.3	168.4	-53.2	0	0	0	0	108.3	V728 I729 L758 V763	V728-T790 CarbonylContact C-O 3.55Å; V728-T790 WeakPolarHBondContact CA-O 3.48Å; V728-T790 HydrophobicContact CG1-CG2 3.93Å; I729-T790 PolarHBondContact N-O 3.32Å; L758-T790 HydrophobicContact CD2-CG2 3.63Å; V763-T790 HydrophobicContact CG1-CG2 3.61Å
791	V	93.6	Very high	90.7	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.5	179.3	-175.3	0	0	0	0	108.3	I729 E731 V742 V763 R764 V766 L789	I729-V791 HydrophobicContact CB-CG2 4.4Å; I729-V791 CarbonylContact O-C 3.54Å; I729-V791 WeakPolarHBondContact O-CA 3.36Å; E731-V791 HydrophobicContact CB-CG1 4.46Å; E731-V791 HydrophobicContact CG-CG1 3.72Å; E731-V791 WeakPolarHBondContact OE1-CG1 3.38Å; V742-V791 HydrophobicContact CG1-CG2 3.8Å; V742-V791 HydrophobicContact CG2-CG2 4.45Å; V763-V791 WeakPolarHBondContact CA-O 3.24Å; R764-V791 HydrophobicContact CG-CB 3.81Å; R764-V791 HydrophobicContact CG-CG1 4.36Å; R764-V791 PolarHBondContact N-O 3.21Å; R764-V791 PolarHBondContact O-N 2.87Å; V766-V791 HydrophobicContact CB-CG2 4.14Å; V766-V791 HydrophobicContact CG2-CB 4.46Å; V766-V791 HydrophobicContact CG2-CG2 3.68Å; L789-V791 HydrophobicContact CB-CG2 4.39Å; L789-V791 PolarHBondContact O-N 2.95Å
792	L	93.4	Very high	91.1	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	108.7	177.8	-172.9	76.4	0	0	0	108.8	I729 L730 E731 L757 V760 A761 C762 V763 I794	I729-L792 PolarHBondContact O-N 3.19Å; L730-L792 HydrophobicContact CD2-CB 3.8Å; L730-L792 HydrophobicContact CD2-CD2 3.63Å; L730-L792 HydrophobicContact CD2-CG 4.23Å; E731-L792 PolarHBondContact N-O 3.49Å; E731-L792 VanDerWaalsContact N-O 3.13Å; L757-L792 HydrophobicContact CD1-CD2 3.77Å; L757-L792 HydrophobicContact CG-CD2 3.74Å; L757-L792 WeakPolarHBondContact O-CD2 3.47Å; V760-L792 HydrophobicContact CG2-CD2 4.14Å; A761-L792 HydrophobicContact CB-CD1 3.73Å; A761-L792 HydrophobicContact CB-CD2 4.4Å; A761-L792 HydrophobicContact CB-CG 3.88Å; C762-L792 WeakPolarHBondContact O-CA 3.26Å; V763-L792 HydrophobicContact CG2-CD1 3.61Å; L792-I794 HydrophobicContact CD2-CG2 4.12Å; L792-I794 HydrophobicContact CG-CG2 4.17Å
793	T	91.8	Very high	91.5	Very high	22 Å²	22	45 Å²	45	14%	0.135	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	112.4	177.7	-46.8	0	0	0	0	109.1	E731 A733 A736 A761 C762	E731-T793 HydrophobicContact CG-CG2 4.14Å; E731-T793 WeakPolarHBondContact O-CA 3.4Å; E731-T793 PolarHBondContact OE1-OG1 2.85Å; A733-T793 HydrophobicContact CB-CG2 4.32Å; A736-T793 HydrophobicContact CB-CG2 3.8Å; A761-T793 VanDerWaalsContact CB-O 3.24Å; A761-T793 WeakPolarHBondContact CB-O 3.31Å; C762-T793 PolarHBondContact N-O 3.4Å; C762-T793 PolarHBondContact O-N 2.91Å
794	I	90.1	Very high	91.6	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	154.2	178.6	67.8	172	0	0	0	111.1	E731 S732 A733 A761 L792 S796 L797 I800 I813	E731-I794 PolarHBondContact O-N 3.35Å; S732-I794 CarbonylContact C-O 3.51Å; S732-I794 WeakPolarHBondContact CA-O 3.39Å; A733-I794 PolarHBondContact N-O 3.36Å; A761-I794 HydrophobicContact CB-CG2 3.84Å; L792-I794 HydrophobicContact CD2-CG2 4.12Å; L792-I794 HydrophobicContact CG-CG2 4.17Å; I794-S796 VanDerWaalsContact C-N 3.29Å; I794-S796 VanDerWaalsContact CD1-O 3.28Å; I794-S796 WeakPolarHBondContact CD1-O 3.36Å; I794-S796 PolarHBondContact O-N 3.26Å; I794-L797 HydrophobicContact CD1-CD2 3.84Å; I794-L797 HydrophobicContact CD1-CG 4.48Å; I794-L797 HydrophobicContact CG1-CD2 4.23Å; I794-I800 HydrophobicContact CD1-CD1 4.04Å; I794-I813 HydrophobicContact CD1-CD1 3.85Å; I794-I813 HydrophobicContact CG2-CG2 4.11Å
795	P	87.7	Confident	91.5	Very high	93 Å²	93	50.7 Å²	50.7	60%	0.604	25%	0.251	S	S	*	.	S	Bend	trans	-57.2	-39.8	-176.8	-27	35.2	0	0	0	113.8
796	S	88.6	Confident	91.5	Very high	45 Å²	45	52.7 Å²	52.7	32%	0.315	27%	0.268	S	S	.	.			trans	-152.9	139.8	178.7	-178.2	0	0	0	0	111.1	I794 Q798 P799	I794-S796 VanDerWaalsContact C-N 3.29Å; I794-S796 VanDerWaalsContact CD1-O 3.28Å; I794-S796 WeakPolarHBondContact CD1-O 3.36Å; I794-S796 PolarHBondContact O-N 3.26Å; S796-Q798 PolarHBondContact O-N 3.36Å; S796-Q798 WeakPolarHBondContact OG-CB 3.4Å; S796-Q798 WeakPolarHBondContact OG-CG 3.03Å; S796-Q798 PolarHBondContact OG-N 3.05Å; S796-P799 WeakPolarHBondContact O-CD 3.37Å
797	L	89.5	Confident	91.3	Very high	14 Å²	14	52.4 Å²	52.4	7%	0.073	27%	0.27	C	S	.	.	S	Bend	trans	-80.5	-1.4	172	-71.3	167.8	0	0	0	112.8	L730 I747 I794 P799 I800 Q801	L730-L797 HydrophobicContact CB-CD2 4.35Å; I747-L797 HydrophobicContact CD1-CD1 3.79Å; I747-L797 HydrophobicContact CD1-CD2 3.83Å; I747-L797 HydrophobicContact CD1-CG 4.47Å; I794-L797 HydrophobicContact CD1-CD2 3.84Å; I794-L797 HydrophobicContact CD1-CG 4.48Å; I794-L797 HydrophobicContact CG1-CD2 4.23Å; L797-P799 VanDerWaalsContact C-CD 3.46Å; L797-I800 HydrophobicContact CD2-CD1 3.79Å; L797-I800 WeakPolarHBondContact O-CB 3.36Å; L797-I800 PolarHBondContact O-N 3.42Å; L797-Q801 HydrophobicContact CB-CG 4.41Å; L797-Q801 WeakPolarHBondContact O-CG 3.13Å; L797-Q801 PolarHBondContact O-N 2.94Å
798	Q	90.8	Very high	91.3	Very high	120 Å²	120	53.1 Å²	53.1	56%	0.561	28%	0.277	S	S	*	.	H	α-helix	trans	-52.4	-41.7	-178.3	-80.2	-174.5	-0.9	0	0	114.7	S796 I800 Q801 N802	S796-Q798 PolarHBondContact O-N 3.36Å; S796-Q798 WeakPolarHBondContact OG-CB 3.4Å; S796-Q798 WeakPolarHBondContact OG-CG 3.03Å; S796-Q798 PolarHBondContact OG-N 3.05Å; Q798-I800 VanDerWaalsContact C-N 3.3Å; Q798-I800 PolarHBondContact O-N 3.3Å; Q798-Q801 PolarHBondContact O-N 2.98Å; Q798-N802 VanDerWaalsContact O-CB 3.24Å; Q798-N802 WeakPolarHBondContact O-CB 3.48Å; Q798-N802 PolarHBondContact O-N 2.92Å; Q798-N802 PolarHBondContact O-ND2 3.46Å
799	P	91.6	Very high	91.3	Very high	55 Å²	55	48.9 Å²	48.9	36%	0.357	26%	0.263	S	S	.	.	H	α-helix	trans	-59.9	-40.3	177.1	-25	35.6	0	0	0	112.8	S796 L797 M803 C811	S796-P799 WeakPolarHBondContact O-CD 3.37Å; L797-P799 VanDerWaalsContact C-CD 3.46Å; P799-M803 WeakPolarHBondContact O-CB 3.48Å; P799-M803 PolarHBondContact O-N 3.34Å; P799-C811 HydrophobicContact CB-CB 4.49Å
800	I	91.4	Very high	91.4	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-68.7	-51	176.4	-67.8	161.6	0	0	0	109.6	L730 I794 L797 Q798 N802 M803 I804 I813 L843	L730-I800 HydrophobicContact CD1-CD1 3.38Å; I794-I800 HydrophobicContact CD1-CD1 4.04Å; L797-I800 HydrophobicContact CD2-CD1 3.79Å; L797-I800 WeakPolarHBondContact O-CB 3.36Å; L797-I800 PolarHBondContact O-N 3.42Å; Q798-I800 VanDerWaalsContact C-N 3.3Å; Q798-I800 PolarHBondContact O-N 3.3Å; I800-N802 PolarHBondContact O-N 2.88Å; I800-M803 WeakPolarHBondContact O-CB 3.25Å; I800-M803 PolarHBondContact O-N 2.98Å; I800-M803 VanDerWaalsContact O-N 3.08Å; I800-I804 HydrophobicContact CG2-CD1 3.82Å; I800-I804 HydrophobicContact CG2-CG1 4.31Å; I800-I804 VanDerWaalsContact O-CG1 3.27Å; I800-I804 WeakPolarHBondContact O-CG1 3.33Å; I800-I804 PolarHBondContact O-N 3.15Å; I800-I813 HydrophobicContact CD1-CD1 3.73Å; I800-I813 HydrophobicContact CG1-CD1 4.08Å; I800-L843 HydrophobicContact CB-CD1 4.41Å; I800-L843 HydrophobicContact CD1-CD1 3.8Å; I800-L843 HydrophobicContact CG1-CD1 3.87Å; I800-L843 HydrophobicContact CG2-CD1 3.64Å; I800-L843 HydrophobicContact CG2-CD2 4.16Å
801	Q	91.9	Very high	91.4	Very high	86 Å²	86	49.7 Å²	49.7	40%	0.402	27%	0.27	S	S	.	.	H	α-helix	trans	-57.6	-38.8	179.4	-69.1	171.4	-13.9	0	0	111.8	L797 Q798 R805	L797-Q801 HydrophobicContact CB-CG 4.41Å; L797-Q801 WeakPolarHBondContact O-CG 3.13Å; L797-Q801 PolarHBondContact O-N 2.94Å; Q798-Q801 PolarHBondContact O-N 2.98Å; Q801-R805 WeakPolarHBondContact O-CB 3.49Å; Q801-R805 PolarHBondContact O-N 2.95Å
802	N	93.8	Very high	91.3	Very high	67 Å²	67	53.4 Å²	53.4	36%	0.358	29%	0.293	S	S	.	.	H	α-helix	trans	-65.3	-49.6	174	-75.4	-25.8	0	0	0	111.3	Q798 I800 I804 R805 T806	Q798-N802 VanDerWaalsContact O-CB 3.24Å; Q798-N802 WeakPolarHBondContact O-CB 3.48Å; Q798-N802 PolarHBondContact O-N 2.92Å; Q798-N802 PolarHBondContact O-ND2 3.46Å; I800-N802 PolarHBondContact O-N 2.88Å; N802-I804 VanDerWaalsContact C-N 3.26Å; N802-I804 PolarHBondContact O-N 3.2Å; N802-R805 PolarHBondContact O-N 3.29Å; N802-R805 PolarHBondContact OD1-NH2 3.05Å; N802-T806 PolarHBondContact O-N 3.24Å; N802-T806 PolarHBondContact O-OG1 3.27Å
803	M	94.2	Very high	91.1	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.02	30%	0.295	C	S	.	.	H	α-helix	trans	-52.9	-45.1	176	-179.5	-170.2	70	0	0	112	P799 I800 N807 S808 C811 N820 L843	P799-M803 WeakPolarHBondContact O-CB 3.48Å; P799-M803 PolarHBondContact O-N 3.34Å; I800-M803 WeakPolarHBondContact O-CB 3.25Å; I800-M803 PolarHBondContact O-N 2.98Å; I800-M803 VanDerWaalsContact O-N 3.08Å; M803-N807 CarbonylContact O-C 3.6Å; M803-N807 VanDerWaalsContact O-CA 3.28Å; M803-N807 WeakPolarHBondContact O-CA 3.42Å; M803-N807 PolarHBondContact O-N 3.19Å; M803-S808 WeakPolarHBondContact CG-O 3.39Å; M803-S808 PolarHBondContact O-N 3.12Å; M803-C811 HydrophobicContact CB-CB 3.99Å; M803-C811 HydrophobicContact CG-CB 4.28Å; M803-C811 HydrophobicContact SD-CB 3.9Å; M803-C811 PolarHBondContact SD-N 3.01Å; M803-C811 VanDerWaalsContact SD-N 3.37Å; M803-C811 VanDerWaalsContact SD-SG 3.69Å; M803-N820 HydrophobicContact CE-CB 3.72Å; M803-N820 HydrophobicContact CG-CB 4.24Å; M803-N820 HydrophobicContact SD-CB 3.83Å; M803-L843 HydrophobicContact CE-CB 4.48Å; M803-L843 HydrophobicContact CE-CD2 4.31Å
804	I	90.7	Very high	90.8	Very high	23 Å²	23	58.1 Å²	58.1	12%	0.118	32%	0.317	C	S	.	.	H	α-helix	trans	-67	-49.3	179.2	-61.1	-178.3	0	0	0	110.5	I800 N802 T806 N807 L843 S845 Q847 H848	I800-I804 HydrophobicContact CG2-CD1 3.82Å; I800-I804 HydrophobicContact CG2-CG1 4.31Å; I800-I804 VanDerWaalsContact O-CG1 3.27Å; I800-I804 WeakPolarHBondContact O-CG1 3.33Å; I800-I804 PolarHBondContact O-N 3.15Å; N802-I804 VanDerWaalsContact C-N 3.26Å; N802-I804 PolarHBondContact O-N 3.2Å; I804-T806 VanDerWaalsContact C-N 3.34Å; I804-T806 PolarHBondContact O-N 3.12Å; I804-N807 PolarHBondContact O-N 3.44Å; I804-N807 VanDerWaalsContact O-N 3.14Å; I804-L843 HydrophobicContact CD1-CD2 4.2Å; I804-S845 VanDerWaalsContact CD1-OG 3.32Å; I804-S845 WeakPolarHBondContact CD1-OG 3.42Å; I804-Q847 HydrophobicContact CD1-CB 4.07Å; I804-Q847 HydrophobicContact CD1-CG 4.4Å; I804-Q847 HydrophobicContact CG2-CB 4.36Å; I804-Q847 HydrophobicContact CG2-CG 3.89Å; I804-H848 VanDerWaalsContact CD1-CD2 3.48Å; I804-H848 WeakPolarHBondContact CD1-CD2 3.43Å; I804-H848 WeakPolarHBondContact CG1-CD2 3.31Å; I804-H848 WeakPolarHBondContact CG1-NE2 3.45Å
805	R	90.8	Very high	90.7	Very high	189 Å²	189	61 Å²	61	71%	0.713	35%	0.348	S	S	*	.	H	α-helix	trans	-62.2	-39	-178.1	180	176.4	59.8	146.8	-2.3	112.8	Q801 N802 N807	Q801-R805 WeakPolarHBondContact O-CB 3.49Å; Q801-R805 PolarHBondContact O-N 2.95Å; N802-R805 PolarHBondContact O-N 3.29Å; N802-R805 PolarHBondContact OD1-NH2 3.05Å; R805-N807 VanDerWaalsContact C-N 3.34Å
806	T	91.8	Very high	90.9	Very high	86 Å²	86	57.6 Å²	57.6	53%	0.528	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	0.5	178.6	60.7	0	0	0	0	112.9	N802 I804 S808	N802-T806 PolarHBondContact O-N 3.24Å; N802-T806 PolarHBondContact O-OG1 3.27Å; I804-T806 VanDerWaalsContact C-N 3.34Å; I804-T806 PolarHBondContact O-N 3.12Å; T806-S808 PolarHBondContact O-N 3.1Å; T806-S808 PolarHBondContact OG1-OG 2.58Å
807	N	87.5	Confident	91.1	Very high	93 Å²	93	58.5 Å²	58.5	50%	0.497	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	38.9	-171.6	-160.7	27.9	0	0	0	112.9	M803 I804 R805 V823	M803-N807 CarbonylContact O-C 3.6Å; M803-N807 VanDerWaalsContact O-CA 3.28Å; M803-N807 WeakPolarHBondContact O-CA 3.42Å; M803-N807 PolarHBondContact O-N 3.19Å; I804-N807 PolarHBondContact O-N 3.44Å; I804-N807 VanDerWaalsContact O-N 3.14Å; R805-N807 VanDerWaalsContact C-N 3.34Å; N807-V823 WeakPolarHBondContact O-CG2 3.48Å
808	S	92.3	Very high	91.3	Very high	42 Å²	42	57.8 Å²	57.8	29%	0.294	33%	0.325	S	S	.	.			trans	-69.6	140.9	177	-64.9	0	0	0	0	110	M803 T806 S810 N820	M803-S808 WeakPolarHBondContact CG-O 3.39Å; M803-S808 PolarHBondContact O-N 3.12Å; T806-S808 PolarHBondContact O-N 3.1Å; T806-S808 PolarHBondContact OG1-OG 2.58Å; S808-S810 PolarHBondContact O-N 3.32Å; S808-S810 VanDerWaalsContact O-N 3.16Å; S808-N820 PolarHBondContact O-ND2 3.37Å
809	P	90.4	Very high	91.4	Very high	46 Å²	46	53.2 Å²	53.2	30%	0.299	30%	0.304	S	S	.	.	S	Bend	trans	-62.2	-27.9	-174.5	23.9	-34.3	0	0	0	113.8	H819 N820 V823	P809-H819 WeakPolarHBondContact O-CA 3.26Å; P809-N820 PolarHBondContact O-N 3.15Å; P809-V823 HydrophobicContact CB-CB 4.09Å; P809-V823 HydrophobicContact CB-CG1 3.94Å
810	S	93.5	Very high	91.3	Very high	41 Å²	41	50.7 Å²	50.7	29%	0.287	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	167.5	179.2	58.8	0	0	0	0	111.5	S808 I818	S808-S810 PolarHBondContact O-N 3.32Å; S808-S810 VanDerWaalsContact O-N 3.16Å; S810-I818 CarbonylContact C-O 3.53Å; S810-I818 WeakPolarHBondContact CA-O 3.48Å; S810-I818 VanDerWaalsContact CB-O 3.22Å; S810-I818 WeakPolarHBondContact CB-O 3.41Å
811	C	93.4	Very high	91.1	Very high	14 Å²	14	51.4 Å²	51.4	10%	0.095	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	166.5	164.3	66	0	0	0	0	110.1	P799 M803 T817 I818	P799-C811 HydrophobicContact CB-CB 4.49Å; M803-C811 HydrophobicContact CB-CB 3.99Å; M803-C811 HydrophobicContact CG-CB 4.28Å; M803-C811 HydrophobicContact SD-CB 3.9Å; M803-C811 PolarHBondContact SD-N 3.01Å; M803-C811 VanDerWaalsContact SD-N 3.37Å; M803-C811 VanDerWaalsContact SD-SG 3.69Å; C811-T817 WeakPolarHBondContact O-CA 3.48Å; C811-I818 PolarHBondContact N-O 3.39Å; C811-I818 PolarHBondContact O-N 2.93Å
812	T	92.3	Very high	90.7	Very high	78 Å²	78	49.7 Å²	49.7	48%	0.479	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133.4	176.5	-54.2	0	0	0	0	110.2	G815 V816	T812-G815 VanDerWaalsContact CG2-C 3.43Å; T812-G815 VanDerWaalsContact CG2-CA 3.41Å; T812-V816 CarbonylContact C-O 3.59Å; T812-V816 WeakPolarHBondContact CA-O 3.3Å
813	I	88.4	Confident	89.6	Confident	10 Å²	10	48.5 Å²	48.5	5%	0.051	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	109.9	172.7	-55.6	-174.4	0	0	0	107.4	L730 V760 I794 I800 G815 V816 I818	L730-I813 HydrophobicContact CD1-CD1 4.28Å; V760-I813 WeakPolarHBondContact CG1-O 3.32Å; V760-I813 HydrophobicContact CG2-CG2 4.36Å; I794-I813 HydrophobicContact CD1-CD1 3.85Å; I794-I813 HydrophobicContact CG2-CG2 4.11Å; I800-I813 HydrophobicContact CD1-CD1 3.73Å; I800-I813 HydrophobicContact CG1-CD1 4.08Å; I813-G815 PolarHBondContact O-N 3.46Å; I813-G815 VanDerWaalsContact O-N 3.17Å; I813-V816 PolarHBondContact N-O 3.39Å; I813-V816 PolarHBondContact O-N 3.2Å; I813-I818 HydrophobicContact CB-CD1 4.48Å; I813-I818 HydrophobicContact CD1-CD1 3.47Å; I813-I818 VanDerWaalsContact CD1-CD1 3.47Å; I813-I818 HydrophobicContact CG1-CD1 3.98Å
814	N	85.6	Confident	88	Confident	111 Å²	111	52.4 Å²	52.4	59%	0.594	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.9	47.8	-175.6	-57.2	-18.6	0	0	0	113.8	V760 V816	V760-N814 HydrophobicContact CB-CB 3.87Å; V760-N814 HydrophobicContact CG1-CB 3.92Å; V760-N814 PolarHBondContact O-ND2 3.42Å; N814-V816 PolarHBondContact O-N 2.99Å
815	G	88.3	Confident	86.6	Confident	64 Å²	64	55.1 Å²	55.1	66%	0.66	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	-14	178.6	0	0	0	0	0	115.6	T812 I813	T812-G815 VanDerWaalsContact CG2-C 3.43Å; T812-G815 VanDerWaalsContact CG2-CA 3.41Å; I813-G815 PolarHBondContact O-N 3.46Å; I813-G815 VanDerWaalsContact O-N 3.17Å
816	V	91.6	Very high	84.7	Confident	21 Å²	21	54.9 Å²	54.9	13%	0.127	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	122.7	176.1	175.5	0	0	0	0	110.3	P756 L757 V760 T812 I813 N814 L841	P756-V816 HydrophobicContact CB-CG1 4.45Å; P756-V816 HydrophobicContact CB-CG2 4.02Å; P756-V816 WeakPolarHBondContact O-CG2 3.28Å; L757-V816 HydrophobicContact CB-CG1 4.38Å; L757-V816 HydrophobicContact CD1-CG1 4.2Å; V760-V816 HydrophobicContact CG1-CB 3.97Å; V760-V816 HydrophobicContact CG1-CG2 3.35Å; T812-V816 CarbonylContact C-O 3.59Å; T812-V816 WeakPolarHBondContact CA-O 3.3Å; I813-V816 PolarHBondContact N-O 3.39Å; I813-V816 PolarHBondContact O-N 3.2Å; N814-V816 PolarHBondContact O-N 2.99Å; V816-L841 HydrophobicContact CG1-CD1 3.54Å
817	T	93.4	Very high	82.7	Confident	63 Å²	63	56.7 Å²	56.7	39%	0.387	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	131.4	176.5	-55.4	0	0	0	0	110.7	C811	C811-T817 WeakPolarHBondContact O-CA 3.48Å
818	I	92.5	Very high	81.7	Confident	0 Å²	0	54 Å²	54	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	127.1	174.9	-55.6	178.7	0	0	0	107.6	L730 V749 L757 S810 C811 I813 L843	L730-I818 HydrophobicContact CD1-CD1 4.41Å; V749-I818 HydrophobicContact CG1-CG2 4.18Å; V749-I818 HydrophobicContact CG2-CD1 4.4Å; V749-I818 HydrophobicContact CG2-CG2 4.2Å; L757-I818 HydrophobicContact CD1-CD1 3.69Å; L757-I818 HydrophobicContact CD1-CG1 4.34Å; L757-I818 HydrophobicContact CD2-CD1 4.39Å; S810-I818 CarbonylContact C-O 3.53Å; S810-I818 WeakPolarHBondContact CA-O 3.48Å; S810-I818 VanDerWaalsContact CB-O 3.22Å; S810-I818 WeakPolarHBondContact CB-O 3.41Å; C811-I818 PolarHBondContact N-O 3.39Å; C811-I818 PolarHBondContact O-N 2.93Å; I813-I818 HydrophobicContact CB-CD1 4.48Å; I813-I818 HydrophobicContact CD1-CD1 3.47Å; I813-I818 VanDerWaalsContact CD1-CD1 3.47Å; I813-I818 HydrophobicContact CG1-CD1 3.98Å; I818-L843 HydrophobicContact CG2-CB 3.69Å; I818-L843 HydrophobicContact CG2-CD1 4.33Å
819	H	93.2	Very high	80.9	Confident	23 Å²	23	55.1 Å²	55.1	11%	0.106	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	146.9	-178.6	-69.7	-109.9	0	0	0	110.9	P809 G821 D840 L841 L843	P809-H819 WeakPolarHBondContact O-CA 3.26Å; H819-G821 VanDerWaalsContact C-N 3.27Å; H819-G821 PolarHBondContact O-N 3.02Å; H819-D840 IonicContact NE2-OD1 3.63Å; H819-L841 PolarHBondContact N-O 3Å; H819-L843 PolarHBondContact O-N 3.22Å
820	N	90.4	Very high	80.7	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.011	33%	0.333	C	S	.	.			trans	-75.1	-17.9	178.1	75.6	4.1	0	0	0	113.1	M803 S808 P809 L822 V823 H848	M803-N820 HydrophobicContact CE-CB 3.72Å; M803-N820 HydrophobicContact CG-CB 4.24Å; M803-N820 HydrophobicContact SD-CB 3.83Å; S808-N820 PolarHBondContact O-ND2 3.37Å; P809-N820 PolarHBondContact O-N 3.15Å; N820-L822 PolarHBondContact O-N 2.97Å; N820-L822 VanDerWaalsContact O-N 3.12Å; N820-L822 PolarHBondContact OD1-N 2.98Å; N820-V823 VanDerWaalsContact ND2-CG2 3.27Å; N820-V823 WeakPolarHBondContact ND2-CG2 3.26Å; N820-V823 PolarHBondContact OD1-N 3.34Å; N820-H848 PolarHBondContact O-CE1 3.15Å
821	G	87.8	Confident	80.2	Confident	17 Å²	17	55.6 Å²	55.6	18%	0.175	33%	0.325	C	S	.	.	S	Bend	trans	63.7	9.8	-178.6	0	0	0	0	0	115.7	H819 R929	H819-G821 VanDerWaalsContact C-N 3.27Å; H819-G821 PolarHBondContact O-N 3.02Å; G821-R929 PolarHBondContact O-NH2 3.48Å
822	L	83	Confident	79.7	Confident	49 Å²	49	55.8 Å²	55.8	26%	0.257	33%	0.326	S	S	.	.	S	Bend	trans	-110.7	-29.9	176.6	-61	-175.9	0	0	0	112.1	N820 T824 H848 Y849 E926	N820-L822 PolarHBondContact O-N 2.97Å; N820-L822 VanDerWaalsContact O-N 3.12Å; N820-L822 PolarHBondContact OD1-N 2.98Å; L822-T824 PolarHBondContact O-N 3.08Å; L822-H848 HydrophobicContact CD1-CB 3.96Å; L822-Y849 HydrophobicContact CD2-CE1 4Å; L822-E926 HydrophobicContact CD2-CG 4.24Å; L822-E926 WeakPolarHBondContact CD2-OE1 3.32Å
823	V	69.4	Low	79.5	Confident	43 Å²	43	52.9 Å²	52.9	26%	0.261	31%	0.31	S	S	.	.	S	Bend	trans	-87.9	98.9	177.9	176.8	0	0	0	0	108.2	N807 P809 N820 Q825	N807-V823 WeakPolarHBondContact O-CG2 3.48Å; P809-V823 HydrophobicContact CB-CB 4.09Å; P809-V823 HydrophobicContact CB-CG1 3.94Å; N820-V823 VanDerWaalsContact ND2-CG2 3.27Å; N820-V823 WeakPolarHBondContact ND2-CG2 3.26Å; N820-V823 PolarHBondContact OD1-N 3.34Å; V823-Q825 PolarHBondContact O-N 3.28Å
824	T	61.3	Low	79.5	Confident	85 Å²	85	52.7 Å²	52.7	52%	0.521	31%	0.311	S	S	.	.			trans	-66	101.3	170.7	40.4	0	0	0	0	109.7	L822	L822-T824 PolarHBondContact O-N 3.08Å
825	Q	61	Low	79.8	Confident	80 Å²	80	49.2 Å²	49.2	37%	0.374	29%	0.291	S	S	.	.			trans	-67.8	143.9	159.1	-66.1	-171.4	-6.1	0	0	108.4	V823 T827 Q828	V823-Q825 PolarHBondContact O-N 3.28Å; Q825-T827 PolarHBondContact O-N 3.41Å; Q825-Q828 PolarHBondContact O-N 2.99Å
826	Q	50.8	Low	79.9	Confident	185 Å²	185	50.6 Å²	50.6	86%	0.864	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-52.5	-32	-178	-73.7	179.7	-12.1	0	0	112.9	Q828 S829	Q826-Q828 VanDerWaalsContact C-N 3.34Å; Q826-Q828 PolarHBondContact O-N 3.32Å; Q826-S829 PolarHBondContact O-OG 3.04Å; Q826-S829 VanDerWaalsContact O-OG 3.12Å
827	T	49.7	Very low	79.9	Confident	124 Å²	124	51.8 Å²	51.8	76%	0.761	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-72.3	-17.6	177.2	49.8	0	0	0	0	114.6	Q825	Q825-T827 PolarHBondContact O-N 3.41Å
828	Q	66.3	Low	79.7	Confident	37 Å²	37	49.2 Å²	49.2	17%	0.173	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-108.8	9.9	-178.2	-68.6	-179.7	-13.6	0	0	113.2	Q825 Q826 K830 A831 S832 D840	Q825-Q828 PolarHBondContact O-N 2.99Å; Q826-Q828 VanDerWaalsContact C-N 3.34Å; Q826-Q828 PolarHBondContact O-N 3.32Å; Q828-K830 PolarHBondContact O-N 3.32Å; Q828-A831 PolarHBondContact O-N 3.27Å; Q828-S832 WeakPolarHBondContact O-CB 3.4Å; Q828-S832 PolarHBondContact O-N 3.44Å; Q828-S832 PolarHBondContact O-OG 2.99Å; Q828-D840 PolarHBondContact NE2-OD2 3Å
829	S	77.4	Confident	79.6	Confident	65 Å²	65	59.5 Å²	59.5	46%	0.455	31%	0.311	S	S	.	.	H	α-helix	trans	-59.4	-47.3	-176.9	56.2	0	0	0	0	112.5	Q826 S832 A833	Q826-S829 PolarHBondContact O-OG 3.04Å; Q826-S829 VanDerWaalsContact O-OG 3.12Å; S829-S832 PolarHBondContact O-N 3.19Å; S829-A833 WeakPolarHBondContact O-CB 3.32Å; S829-A833 PolarHBondContact O-N 3.44Å
830	K	84.4	Confident	79.4	Confident	83 Å²	83	61.4 Å²	61.4	36%	0.361	32%	0.322	S	S	.	.	H	α-helix	trans	-60.8	-46.5	176.3	-70.2	-167.9	170.7	-160.6	0	112.8	N609 Q828 S832 A833 G834 E835 E836	N609-K830 PolarHBondContact OD1-NZ 3.27Å; Q828-K830 PolarHBondContact O-N 3.32Å; K830-S832 VanDerWaalsContact C-N 3.31Å; K830-S832 PolarHBondContact O-N 3.34Å; K830-A833 CarbonylContact O-C 3.46Å; K830-A833 PolarHBondContact O-N 2.9Å; K830-G834 PolarHBondContact O-N 3.35Å; K830-E835 HydrophobicContact CB-CB 4.1Å; K830-E835 WeakPolarHBondContact O-CB 3.37Å; K830-E835 PolarHBondContact O-N 3.43Å; K830-E836 HydrophobicContact CB-CG 4.11Å; K830-E836 VanDerWaalsContact CD-OE1 3.29Å; K830-E836 WeakPolarHBondContact CD-OE1 3.5Å
831	A	84	Confident	79.5	Confident	13 Å²	13	62.1 Å²	62.1	11%	0.107	33%	0.325	C	S	.	.	H	α-helix	trans	-60.6	-42.7	178	0	0	0	0	0	111.5	Q828 A833 G834 E836 P838 E925	Q828-A831 PolarHBondContact O-N 3.27Å; A831-A833 VanDerWaalsContact C-N 3.35Å; A831-A833 PolarHBondContact O-N 3.06Å; A831-G834 PolarHBondContact O-N 2.7Å; A831-E836 WeakPolarHBondContact CA-O 3.34Å; A831-E836 HydrophobicContact CB-CB 4.45Å; A831-P838 HydrophobicContact CB-CB 4.5Å; A831-P838 HydrophobicContact CB-CG 4.18Å; A831-E925 WeakPolarHBondContact O-CB 3.46Å
832	S	82.9	Confident	79.8	Confident	19 Å²	19	61.9 Å²	61.9	13%	0.133	32%	0.32	C	S	.	.	H	α-helix	trans	-64.8	-38.7	176.4	-53.4	0	0	0	0	112	Q828 S829 K830 G834 P923 K924 E925	Q828-S832 WeakPolarHBondContact O-CB 3.4Å; Q828-S832 PolarHBondContact O-N 3.44Å; Q828-S832 PolarHBondContact O-OG 2.99Å; S829-S832 PolarHBondContact O-N 3.19Å; K830-S832 VanDerWaalsContact C-N 3.31Å; K830-S832 PolarHBondContact O-N 3.34Å; S832-G834 PolarHBondContact O-N 2.99Å; S832-G834 VanDerWaalsContact O-N 3.16Å; S832-P923 VanDerWaalsContact C-CB 3.47Å; S832-P923 CarbonylContact O-C 3.6Å; S832-P923 WeakPolarHBondContact O-CB 3.48Å; S832-K924 PolarHBondContact O-N 2.87Å; S832-E925 VanDerWaalsContact O-CB 3.27Å; S832-E925 WeakPolarHBondContact O-CB 3.41Å; S832-E925 PolarHBondContact O-N 2.87Å
833	A	87.4	Confident	80.4	Confident	17 Å²	17	59.6 Å²	59.6	14%	0.14	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-3.5	174.4	0	0	0	0	0	113.8	S829 K830 A831 E835 K924	S829-A833 WeakPolarHBondContact O-CB 3.32Å; S829-A833 PolarHBondContact O-N 3.44Å; K830-A833 CarbonylContact O-C 3.46Å; K830-A833 PolarHBondContact O-N 2.9Å; A831-A833 VanDerWaalsContact C-N 3.35Å; A831-A833 PolarHBondContact O-N 3.06Å; A833-E835 VanDerWaalsContact C-N 3.27Å; A833-E835 HydrophobicContact CB-CG 4.19Å; A833-K924 VanDerWaalsContact O-CB 3.27Å; A833-K924 WeakPolarHBondContact O-CB 3.06Å
834	G	88.7	Confident	81.6	Confident	6 Å²	6	57.5 Å²	57.5	6%	0.062	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	10.9	-177.6	0	0	0	0	0	114.1	F610 K830 A831 S832	F610-G834 VanDerWaalsContact CE1-O 3.28Å; F610-G834 WeakPolarHBondContact CE1-O 3.45Å; F610-G834 VanDerWaalsContact CZ-C 3.42Å; F610-G834 WeakPolarHBondContact CZ-O 3.45Å; K830-G834 PolarHBondContact O-N 3.35Å; A831-G834 PolarHBondContact O-N 2.7Å; S832-G834 PolarHBondContact O-N 2.99Å; S832-G834 VanDerWaalsContact O-N 3.16Å
835	E	91.3	Very high	83.2	Confident	37 Å²	37	53.6 Å²	53.6	17%	0.173	27%	0.271	C	S	.	.	S	Bend	trans	-79.2	-22.3	179.1	-72	-178.5	-118.9	0	0	112.8	T608 N609 F610 K830 A833	T608-E835 VanDerWaalsContact CA-OE2 3.26Å; T608-E835 WeakPolarHBondContact CA-OE2 3.46Å; N609-E835 HydrophobicContact CB-CB 3.85Å; N609-E835 HydrophobicContact CB-CG 4.32Å; N609-E835 WeakPolarHBondContact CB-O 3.45Å; N609-E835 PolarHBondContact N-OE2 3Å; N609-E835 PolarHBondContact ND2-O 3.35Å; F610-E835 HydrophobicContact CD2-CG 3.91Å; F610-E835 HydrophobicContact CE2-CG 3.62Å; F610-E835 HydrophobicContact CZ-CG 4.1Å; K830-E835 HydrophobicContact CB-CB 4.1Å; K830-E835 WeakPolarHBondContact O-CB 3.37Å; K830-E835 PolarHBondContact O-N 3.43Å; A833-E835 VanDerWaalsContact C-N 3.27Å; A833-E835 HydrophobicContact CB-CG 4.19Å
836	E	91.2	Very high	84.8	Confident	94 Å²	94	50.2 Å²	50.2	44%	0.439	26%	0.255	S	S	.	.	S	Bend	trans	-138.4	156	177.2	-63.7	-177.8	-173.3	0	0	109.8	N609 K830 A831 P838	N609-E836 WeakPolarHBondContact ND2-CG 3.26Å; N609-E836 PolarHBondContact ND2-OE1 3.22Å; N609-E836 VanDerWaalsContact ND2-OE1 3.14Å; K830-E836 HydrophobicContact CB-CG 4.11Å; K830-E836 VanDerWaalsContact CD-OE1 3.29Å; K830-E836 WeakPolarHBondContact CD-OE1 3.5Å; A831-E836 WeakPolarHBondContact CA-O 3.34Å; A831-E836 HydrophobicContact CB-CB 4.45Å; E836-P838 WeakPolarHBondContact O-CD 3.44Å
837	V	91.3	Very high	86.8	Confident	45 Å²	45	45.3 Å²	45.3	27%	0.273	23%	0.232	S	C	.	.			trans	-79.5	125.2	175.4	-173.9	0	0	0	0	109.1	P722 H723 L752 R839	P722-V837 HydrophobicContact CG-CB 4.48Å; P722-V837 HydrophobicContact CG-CG1 3.8Å; P722-V837 HydrophobicContact CG-CG2 3.82Å; H723-V837 HydrophobicContact CB-CG1 4.05Å; L752-V837 HydrophobicContact CD1-CB 4.46Å; L752-V837 HydrophobicContact CD1-CG1 3.79Å; L752-V837 HydrophobicContact CD2-CG1 3.85Å; L752-V837 HydrophobicContact CG-CG1 3.82Å; V837-R839 PolarHBondContact O-N 3.19Å
838	P	90.4	Very high	88.7	Confident	9 Å²	9	40.5 Å²	40.5	6%	0.058	20%	0.201	C	C	.	.			trans	-58.3	131.1	172.4	-20.4	30.5	0	0	0	111.6	A831 E836 I842 E925	A831-P838 HydrophobicContact CB-CB 4.5Å; A831-P838 HydrophobicContact CB-CG 4.18Å; E836-P838 WeakPolarHBondContact O-CD 3.44Å; P838-I842 HydrophobicContact CB-CD1 3.54Å; P838-I842 HydrophobicContact CG-CD1 3.87Å; P838-E925 HydrophobicContact CG-CG 3.81Å
839	R	89	Confident	89.9	Confident	217 Å²	217	40.5 Å²	40.5	82%	0.819	20%	0.2	S	C	*	.			trans	-88.4	-27.6	177.1	-63.5	-173.7	-179.5	-173.3	1.1	112.5	V837	V837-R839 PolarHBondContact O-N 3.19Å
840	D	90.3	Very high	90.7	Very high	63 Å²	63	40.2 Å²	40.2	34%	0.337	21%	0.207	S	C	.	.	S	Bend	trans	-77.4	157.8	-177.3	-55.5	-53.5	0	0	0	112	H819 Q828 I842	H819-D840 IonicContact NE2-OD1 3.63Å; Q828-D840 PolarHBondContact NE2-OD2 3Å; D840-I842 PolarHBondContact O-N 2.9Å
841	L	92.9	Very high	91.3	Very high	16 Å²	16	36.7 Å²	36.7	8%	0.084	19%	0.192	C	C	.	.			trans	-75.3	120.7	170.7	-66.7	169.5	0	0	0	109.2	V749 I754 L757 V816 H819	V749-L841 HydrophobicContact CG1-CB 3.99Å; V749-L841 HydrophobicContact CG1-CD2 4.42Å; I754-L841 HydrophobicContact CG2-CD2 4.04Å; L757-L841 HydrophobicContact CB-CD1 3.91Å; L757-L841 HydrophobicContact CD2-CD1 4.35Å; V816-L841 HydrophobicContact CG1-CD1 3.54Å; H819-L841 PolarHBondContact N-O 3Å
842	I	93.8	Very high	91.8	Very high	13 Å²	13	37.7 Å²	37.7	7%	0.067	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.8	-176.2	-59.3	172.8	0	0	0	110.3	V749 S750 P838 D840 R929	V749-I842 WeakPolarHBondContact CA-O 3.49Å; S750-I842 PolarHBondContact N-O 3.27Å; S750-I842 PolarHBondContact O-N 3.19Å; P838-I842 HydrophobicContact CB-CD1 3.54Å; P838-I842 HydrophobicContact CG-CD1 3.87Å; D840-I842 PolarHBondContact O-N 2.9Å; I842-R929 VanDerWaalsContact CG2-CZ 3.48Å
843	L	94.7	Very high	92.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	136.9	171.6	-171.3	140.6	0	0	0	110.9	L730 I747 V748 V749 I800 M803 I804 I818 H819 H848 R929	L730-L843 HydrophobicContact CD1-CD1 4.06Å; I747-L843 HydrophobicContact CG2-CD1 3.8Å; I747-L843 HydrophobicContact CG2-CD2 4.44Å; I747-L843 HydrophobicContact CG2-CG 4.14Å; V748-L843 CarbonylContact O-C 3.47Å; V748-L843 WeakPolarHBondContact O-CA 3.31Å; V749-L843 HydrophobicContact CG2-CB 4.17Å; V749-L843 HydrophobicContact CG2-CD1 4.02Å; V749-L843 HydrophobicContact CG2-CG 4.2Å; I800-L843 HydrophobicContact CB-CD1 4.41Å; I800-L843 HydrophobicContact CD1-CD1 3.8Å; I800-L843 HydrophobicContact CG1-CD1 3.87Å; I800-L843 HydrophobicContact CG2-CD1 3.64Å; I800-L843 HydrophobicContact CG2-CD2 4.16Å; M803-L843 HydrophobicContact CE-CB 4.48Å; M803-L843 HydrophobicContact CE-CD2 4.31Å; I804-L843 HydrophobicContact CD1-CD2 4.2Å; I818-L843 HydrophobicContact CG2-CB 3.69Å; I818-L843 HydrophobicContact CG2-CD1 4.33Å; H819-L843 PolarHBondContact O-N 3.22Å; L843-H848 WeakPolarHBondContact CD2-CE1 3.26Å; L843-H848 PolarHBondContact O-CE1 3.39Å; L843-H848 PolarHBondContact O-ND1 3Å; L843-R929 PolarHBondContact O-NH1 2.98Å
844	T	94.6	Very high	92.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	119.2	172.1	-44.9	0	0	0	0	107.4	V748 Y849 R929 V933	V748-T844 PolarHBondContact N-O 2.88Å; V748-T844 PolarHBondContact O-N 2.87Å; T844-Y849 HydrophobicContact CG2-CE2 4.13Å; T844-R929 HydrophobicContact CG2-CG 4.19Å; T844-R929 WeakPolarHBondContact OG1-CD 3.33Å; T844-R929 WeakPolarHBondContact OG1-CG 3.39Å; T844-R929 PolarHBondContact OG1-NH1 3.09Å; T844-V933 HydrophobicContact CG2-CG1 3.74Å; T844-V933 HydrophobicContact CG2-CG2 4.49Å
845	S	94.7	Very high	92.7	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.014	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	163.1	179.4	67.6	0	0	0	0	111.7	S746 I804 Q847 H848 Y849	S746-S845 WeakPolarHBondContact O-CA 3.42Å; S746-S845 WeakPolarHBondContact O-CB 3.38Å; I804-S845 VanDerWaalsContact CD1-OG 3.32Å; I804-S845 WeakPolarHBondContact CD1-OG 3.42Å; S845-Q847 VanDerWaalsContact C-N 3.28Å; S845-H848 WeakPolarHBondContact O-CB 3.39Å; S845-H848 PolarHBondContact O-N 3.38Å; S845-H848 PolarHBondContact OG-N 2.92Å; S845-Y849 WeakPolarHBondContact O-CD2 3.48Å
846	R	94.8	Very high	93	Very high	9 Å²	9	45.8 Å²	45.8	3%	0.034	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-38	171.2	-72.7	-177.1	177.4	-159.7	1	111.7	N745 S746 H848 Y849 G850 L851 P852 E853 A855 V933 D935	N745-R846 PolarHBondContact ND2-NH2 3.33Å; S746-R846 PolarHBondContact O-N 3.31Å; R846-H848 VanDerWaalsContact C-N 3.28Å; R846-H848 PolarHBondContact O-N 3.21Å; R846-Y849 PolarHBondContact O-N 3.18Å; R846-G850 PolarHBondContact O-N 2.68Å; R846-L851 HydrophobicContact CB-CB 3.81Å; R846-L851 HydrophobicContact CG-CB 4.18Å; R846-L851 PolarHBondContact O-N 3.44Å; R846-P852 WeakPolarHBondContact CD-O 3.17Å; R846-P852 PolarHBondContact NH1-O 2.96Å; R846-E853 WeakPolarHBondContact CB-OE1 3.29Å; R846-E853 PolarHBondContact NH1-O 3.06Å; R846-A855 PolarHBondContact NH1-O 3.07Å; R846-V933 HydrophobicContact CG-CB 4.09Å; R846-V933 PolarHBondContact NE-O 3.39Å; R846-D935 IonicContact CZ-OD2 3.53Å; R846-D935 IonicContact NH2-OD1 3.32Å; R846-D935 PolarHBondContact NH2-OD1 3.27Å; R846-D935 VanDerWaalsContact NH2-OD1 3.12Å; R846-D935 IonicContact NH2-OD2 3.46Å; R846-D935 PolarHBondContact NH2-OD2 3.42Å
847	Q	92.3	Very high	93.3	Very high	82 Å²	82	41.3 Å²	41.3	38%	0.383	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-57.9	-35.3	176.5	-162.9	-176.5	7	0	0	113.4	I804 S845 Y849 G850	I804-Q847 HydrophobicContact CD1-CB 4.07Å; I804-Q847 HydrophobicContact CD1-CG 4.4Å; I804-Q847 HydrophobicContact CG2-CB 4.36Å; I804-Q847 HydrophobicContact CG2-CG 3.89Å; S845-Q847 VanDerWaalsContact C-N 3.28Å; Q847-Y849 PolarHBondContact O-N 2.93Å; Q847-Y849 VanDerWaalsContact O-N 3.15Å; Q847-G850 PolarHBondContact O-N 2.88Å
848	H	89.8	Confident	93.7	Very high	24 Å²	24	39.2 Å²	39.2	11%	0.111	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-53.5	-33.7	173.8	-83.5	173.1	0	0	0	113.2	I804 N820 L822 L843 S845 R846	I804-H848 VanDerWaalsContact CD1-CD2 3.48Å; I804-H848 WeakPolarHBondContact CD1-CD2 3.43Å; I804-H848 WeakPolarHBondContact CG1-CD2 3.31Å; I804-H848 WeakPolarHBondContact CG1-NE2 3.45Å; N820-H848 PolarHBondContact O-CE1 3.15Å; L822-H848 HydrophobicContact CD1-CB 3.96Å; L843-H848 WeakPolarHBondContact CD2-CE1 3.26Å; L843-H848 PolarHBondContact O-CE1 3.39Å; L843-H848 PolarHBondContact O-ND1 3Å; S845-H848 WeakPolarHBondContact O-CB 3.39Å; S845-H848 PolarHBondContact O-N 3.38Å; S845-H848 PolarHBondContact OG-N 2.92Å; R846-H848 VanDerWaalsContact C-N 3.28Å; R846-H848 PolarHBondContact O-N 3.21Å
849	Y	92.9	Very high	94.1	Very high	36 Å²	36	38.8 Å²	38.8	14%	0.141	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-109.8	9.5	-172.4	-60.8	-69	0	0	0	112.9	L822 T844 S845 R846 Q847 L851 W888 E926 R930 V933	L822-Y849 HydrophobicContact CD2-CE1 4Å; T844-Y849 HydrophobicContact CG2-CE2 4.13Å; S845-Y849 WeakPolarHBondContact O-CD2 3.48Å; R846-Y849 PolarHBondContact O-N 3.18Å; Q847-Y849 PolarHBondContact O-N 2.93Å; Q847-Y849 VanDerWaalsContact O-N 3.15Å; Y849-L851 PolarHBondContact O-N 3.47Å; Y849-W888 AromaticContact CD1-CH2 3.87Å; Y849-W888 HydrophobicContact CD1-CH2 3.87Å; Y849-W888 AromaticContact CD1-CZ2 3.59Å; Y849-W888 HydrophobicContact CD1-CZ2 3.59Å; Y849-W888 AromaticContact CD2-CH2 3.63Å; Y849-W888 HydrophobicContact CD2-CH2 3.63Å; Y849-W888 HydrophobicContact CD2-CZ2 4.11Å; Y849-W888 HydrophobicContact CE1-CH2 4.34Å; Y849-W888 HydrophobicContact CE1-CZ2 4.33Å; Y849-W888 HydrophobicContact CE2-CH2 4.13Å; Y849-W888 AromaticContact CG-CH2 3.48Å; Y849-W888 HydrophobicContact CG-CH2 3.48Å; Y849-W888 VanDerWaalsContact CG-CH2 3.48Å; Y849-W888 AromaticContact CG-CZ2 3.45Å; Y849-W888 HydrophobicContact CG-CZ2 3.45Å; Y849-W888 VanDerWaalsContact CG-CZ2 3.45Å; Y849-E926 WeakPolarHBondContact CE1-OE1 3.48Å; Y849-E926 WeakPolarHBondContact OH-CG 3.42Å; Y849-E926 PolarHBondContact OH-OE1 3.09Å; Y849-E926 VanDerWaalsContact OH-OE1 3.14Å; Y849-R930 HydrophobicContact CE1-CB 4.39Å; Y849-R930 HydrophobicContact CE2-CB 3.78Å; Y849-R930 WeakPolarHBondContact OH-CB 3.3Å; Y849-V933 HydrophobicContact CD2-CG2 4.1Å; Y849-V933 HydrophobicContact CE2-CG2 4.35Å
850	G	93	Very high	94.6	Very high	60 Å²	60	28.5 Å²	28.5	62%	0.619	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	64	26.8	-176.1	0	0	0	0	0	113.4	R846 Q847	R846-G850 PolarHBondContact O-N 2.68Å; Q847-G850 PolarHBondContact O-N 2.88Å
851	L	96.7	Very high	94.9	Very high	9 Å²	9	25.7 Å²	25.7	5%	0.047	15%	0.145	C	C	.	.			trans	-86.9	145.4	-179.5	-61.7	170	0	0	0	110.9	R846 Y849 V857 W888 L917 V933	R846-L851 HydrophobicContact CB-CB 3.81Å; R846-L851 HydrophobicContact CG-CB 4.18Å; R846-L851 PolarHBondContact O-N 3.44Å; Y849-L851 PolarHBondContact O-N 3.47Å; L851-V857 HydrophobicContact CB-CG2 4.46Å; L851-V857 HydrophobicContact CD1-CG1 4.2Å; L851-V857 HydrophobicContact CD2-CG1 4.19Å; L851-W888 HydrophobicContact CD1-CD2 3.96Å; L851-W888 HydrophobicContact CD1-CE3 3.61Å; L851-W888 HydrophobicContact CD1-CH2 3.93Å; L851-W888 HydrophobicContact CD1-CZ2 4.24Å; L851-W888 HydrophobicContact CD1-CZ3 3.59Å; L851-W888 HydrophobicContact CD2-CB 4.2Å; L851-W888 HydrophobicContact CD2-CD2 3.85Å; L851-W888 HydrophobicContact CD2-CE3 4.27Å; L851-W888 HydrophobicContact CD2-CG 3.82Å; L851-W888 HydrophobicContact CG-CD2 4.42Å; L851-L917 HydrophobicContact CD2-CD1 3.81Å; L851-V933 HydrophobicContact CD1-CG2 4.2Å
852	P	95	Very high	95.1	Very high	34 Å²	34	25.2 Å²	25.2	22%	0.221	14%	0.143	C	C	.	.			trans	-69	136.1	176.2	28.4	-36	0	0	0	112.6	R846 A855 V886	R846-P852 WeakPolarHBondContact CD-O 3.17Å; R846-P852 PolarHBondContact NH1-O 2.96Å; P852-A855 HydrophobicContact CB-CB 3.87Å; P852-A855 HydrophobicContact CG-CB 3.63Å; P852-V886 HydrophobicContact CG-CG1 3.84Å; P852-V886 HydrophobicContact CG-CG2 3.83Å
853	E	90.1	Very high	95.1	Very high	92 Å²	92	27.9 Å²	27.9	43%	0.43	16%	0.155	S	C	.	.	S	Bend	trans	-76.6	-28.2	179	-65.9	-65.9	170.3	0	0	113.1	R846	R846-E853 WeakPolarHBondContact CB-OE1 3.29Å; R846-E853 PolarHBondContact NH1-O 3.06Å
854	D	91.2	Very high	95.2	Very high	127 Å²	127	28.1 Å²	28.1	68%	0.679	16%	0.156	S	C	*	.	S	Bend	trans	-103.6	6.4	-172.4	66.4	-32.9	0	0	0	114	N884	D854-N884 PolarHBondContact O-ND2 3.31Å
855	A	95.6	Very high	95.2	Very high	9 Å²	9	30 Å²	30	7%	0.074	16%	0.164	C	C	.	.	S	Bend	trans	-116.7	160.1	-179.4	0	0	0	0	0	112.7	R846 P852 N884	R846-A855 PolarHBondContact NH1-O 3.07Å; P852-A855 HydrophobicContact CB-CB 3.87Å; P852-A855 HydrophobicContact CG-CB 3.63Å; A855-N884 WeakPolarHBondContact CA-O 3.5Å; A855-N884 WeakPolarHBondContact CB-O 3.35Å; A855-N884 VanDerWaalsContact CB-OD1 3.3Å; A855-N884 WeakPolarHBondContact CB-OD1 3.49Å
856	V	98.4	Very high	95.3	Very high	21 Å²	21	31 Å²	31	13%	0.127	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	127.7	170.2	176.6	0	0	0	0	109.9	F858 V882 N884 S885 V886 D935 G1000	V856-F858 HydrophobicContact CG1-CD2 4.26Å; V856-F858 HydrophobicContact CG1-CE1 4.34Å; V856-F858 HydrophobicContact CG1-CE2 3.9Å; V856-F858 HydrophobicContact CG1-CZ 3.94Å; V856-V882 HydrophobicContact CB-CG1 4.46Å; V856-V882 HydrophobicContact CG2-CG1 4.49Å; V856-N884 PolarHBondContact N-O 2.93Å; V856-S885 CarbonylContact O-C 3.52Å; V856-S885 WeakPolarHBondContact O-CA 3.41Å; V856-S885 VanDerWaalsContact O-CB 3.24Å; V856-S885 WeakPolarHBondContact O-CB 3.37Å; V856-V886 PolarHBondContact O-N 3.26Å; V856-D935 WeakPolarHBondContact CA-OD2 3.5Å; V856-D935 HydrophobicContact CG1-CB 3.99Å; V856-G1000 WeakPolarHBondContact CG2-O 3.09Å
857	V	98.7	Very high	95.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	98.1	177.5	-178	0	0	0	0	109.3	L851 V886 W888 A934 D935 V936	L851-V857 HydrophobicContact CB-CG2 4.46Å; L851-V857 HydrophobicContact CD1-CG1 4.2Å; L851-V857 HydrophobicContact CD2-CG1 4.19Å; V857-V886 HydrophobicContact CB-CG2 4.39Å; V857-V886 HydrophobicContact CG1-CG2 4.34Å; V857-V886 HydrophobicContact CG2-CG2 4.02Å; V857-W888 HydrophobicContact CG1-CB 4.16Å; V857-W888 HydrophobicContact CG1-CE3 4.29Å; V857-A934 HydrophobicContact CG1-CB 4.4Å; V857-D935 PolarHBondContact N-OD2 3.4Å; V857-D935 WeakPolarHBondContact O-CB 3.32Å; V857-D935 PolarHBondContact O-N 2.89Å; V857-V936 PolarHBondContact O-N 3.11Å
858	F	98.9	Very high	95.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	144	162.8	-65.1	-72.8	0	0	0	109.3	V856 I878 L879 V882 V886 L887 W888 V936 L938 A996	V856-F858 HydrophobicContact CG1-CD2 4.26Å; V856-F858 HydrophobicContact CG1-CE1 4.34Å; V856-F858 HydrophobicContact CG1-CE2 3.9Å; V856-F858 HydrophobicContact CG1-CZ 3.94Å; F858-I878 HydrophobicContact CD2-CG2 4.27Å; F858-I878 HydrophobicContact CE1-CG2 4.16Å; F858-I878 HydrophobicContact CE2-CG2 3.76Å; F858-I878 HydrophobicContact CZ-CG2 3.71Å; F858-L879 HydrophobicContact CD2-CD2 4.29Å; F858-V882 HydrophobicContact CE2-CB 4.23Å; F858-V882 HydrophobicContact CE2-CG1 4.34Å; F858-V882 HydrophobicContact CE2-CG2 4.25Å; F858-V882 HydrophobicContact CZ-CG2 4.2Å; F858-V886 PolarHBondContact N-O 3.32Å; F858-L887 HydrophobicContact CB-CD1 3.93Å; F858-L887 CarbonylContact O-C 3.57Å; F858-L887 WeakPolarHBondContact O-CA 3.3Å; F858-W888 WeakPolarHBondContact O-CB 3.28Å; F858-W888 PolarHBondContact O-N 2.94Å; F858-V936 CarbonylContact C-O 3.5Å; F858-V936 WeakPolarHBondContact CA-O 3.17Å; F858-V936 HydrophobicContact CD1-CB 3.75Å; F858-V936 HydrophobicContact CD1-CG1 4.11Å; F858-V936 HydrophobicContact CD1-CG2 4.47Å; F858-V936 HydrophobicContact CE1-CB 3.93Å; F858-V936 HydrophobicContact CE1-CG1 4.2Å; F858-V936 HydrophobicContact CE1-CG2 4.21Å; F858-L938 HydrophobicContact CB-CD1 3.86Å; F858-L938 HydrophobicContact CB-CG 4.08Å; F858-L938 HydrophobicContact CD1-CD1 3.83Å; F858-L938 HydrophobicContact CD1-CD2 3.75Å; F858-L938 HydrophobicContact CD1-CG 3.74Å; F858-L938 HydrophobicContact CE1-CD2 4.16Å; F858-L938 HydrophobicContact CG-CD1 3.89Å; F858-L938 HydrophobicContact CG-CG 4.19Å; F858-A996 HydrophobicContact CE1-CB 4.43Å
859	C	98.8	Very high	96	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	158.9	175	73.8	0	0	0	0	113.3	F861 W888 A934 V936 C937 L938	C859-F861 HydrophobicContact CB-CE1 4.19Å; C859-F861 HydrophobicContact CB-CZ 4.02Å; C859-W888 CarbonylContact C-O 3.53Å; C859-W888 VanDerWaalsContact CA-O 3.22Å; C859-W888 WeakPolarHBondContact CA-O 3.4Å; C859-W888 HydrophobicContact CB-CB 4.23Å; C859-W888 HydrophobicContact CB-CE3 4.4Å; C859-A934 HydrophobicContact CB-CB 3.92Å; C859-A934 VanDerWaalsContact SG-CB 3.54Å; C859-V936 PolarHBondContact N-O 3.26Å; C859-C937 CarbonylContact O-C 3.58Å; C859-C937 VanDerWaalsContact O-CA 3.25Å; C859-C937 WeakPolarHBondContact O-CA 3.38Å; C859-L938 PolarHBondContact O-N 2.98Å
860	N	98.7	Very high	96.2	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.011	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	118.7	161.6	-177.5	-46	0	0	0	108.4	N862 W875 W888 L889 L890 L938	N860-N862 PolarHBondContact ND2-ND2 2.63Å; N860-N862 WeakPolarHBondContact OD1-CA 3.15Å; N860-N862 WeakPolarHBondContact OD1-CB 3.4Å; N860-N862 PolarHBondContact OD1-N 3.13Å; N860-N862 PolarHBondContact OD1-ND2 2.84Å; N860-W875 HydrophobicContact CB-CH2 3.94Å; N860-W875 HydrophobicContact CB-CZ2 4.16Å; N860-W875 WeakPolarHBondContact ND2-CZ2 3.33Å; N860-W888 PolarHBondContact N-O 3.01Å; N860-L889 HydrophobicContact CB-CD2 3.93Å; N860-L889 WeakPolarHBondContact O-CA 3.18Å; N860-L890 PolarHBondContact O-N 3.3Å; N860-L938 WeakPolarHBondContact CB-O 3.48Å; N860-L938 PolarHBondContact ND2-O 2.7Å
861	F	97.8	Very high	96.5	Very high	3 Å²	3	24.6 Å²	24.6	1%	0.013	13%	0.13	C	C	.	.			trans	-104.9	19.7	-179.6	-53.3	-45	0	0	0	114.2	C859 W888 L890 R930 T948 V952	C859-F861 HydrophobicContact CB-CE1 4.19Å; C859-F861 HydrophobicContact CB-CZ 4.02Å; F861-W888 AromaticContact CE1-CD2 3.85Å; F861-W888 HydrophobicContact CE1-CD2 3.85Å; F861-W888 AromaticContact CE1-CE3 3.83Å; F861-W888 HydrophobicContact CE1-CE3 3.83Å; F861-W888 HydrophobicContact CE1-CG 4.36Å; F861-W888 HydrophobicContact CE1-CH2 4.47Å; F861-W888 HydrophobicContact CE1-CZ2 4.49Å; F861-W888 HydrophobicContact CE1-CZ3 4.16Å; F861-W888 HydrophobicContact CZ-CD2 4.06Å; F861-W888 AromaticContact CZ-CE3 3.54Å; F861-W888 HydrophobicContact CZ-CE3 3.54Å; F861-W888 HydrophobicContact CZ-CH2 4.06Å; F861-W888 AromaticContact CZ-CZ3 3.55Å; F861-W888 HydrophobicContact CZ-CZ3 3.55Å; F861-L890 HydrophobicContact CB-CB 4.38Å; F861-L890 HydrophobicContact CD1-CB 4.41Å; F861-L890 WeakPolarHBondContact O-CD2 3.41Å; F861-R930 VanDerWaalsContact CD1-NH2 3.26Å; F861-R930 HydrophobicContact CE2-CG 3.85Å; F861-R930 VanDerWaalsContact CG-NH2 3.33Å; F861-R930 HydrophobicContact CZ-CG 3.96Å; F861-T948 HydrophobicContact CB-CG2 3.86Å; F861-V952 HydrophobicContact CD2-CG1 4.05Å; F861-V952 HydrophobicContact CE2-CG1 4.38Å
862	N	96.1	Very high	96.6	Very high	6 Å²	6	24.2 Å²	24.2	3%	0.032	13%	0.128	C	C	.	.	S	Bend	trans	-69.8	164.8	165.6	-67.9	-77.3	0	0	0	110.3	N860 K866 G945	N860-N862 PolarHBondContact ND2-ND2 2.63Å; N860-N862 WeakPolarHBondContact OD1-CA 3.15Å; N860-N862 WeakPolarHBondContact OD1-CB 3.4Å; N860-N862 PolarHBondContact OD1-N 3.13Å; N860-N862 PolarHBondContact OD1-ND2 2.84Å; N862-K866 HydrophobicContact CB-CD 3.99Å; N862-K866 PolarHBondContact OD1-NZ 2.93Å; N862-G945 WeakPolarHBondContact OD1-CA 3.43Å
863	Q	95.2	Very high	96.8	Very high	70 Å²	70	28.3 Å²	28.3	33%	0.327	14%	0.139	S	C	.	.			trans	-66.8	144.2	168.6	-46.9	-160.9	20.1	0	0	110.5	Y865 K866 F892	Q863-Y865 HydrophobicContact CB-CD1 3.61Å; Q863-Y865 HydrophobicContact CB-CE1 3.57Å; Q863-Y865 HydrophobicContact CB-CG 4.46Å; Q863-Y865 HydrophobicContact CG-CD1 4.42Å; Q863-Y865 HydrophobicContact CG-CE1 3.94Å; Q863-Y865 PolarHBondContact O-N 3.33Å; Q863-Y865 VanDerWaalsContact O-N 3.13Å; Q863-K866 PolarHBondContact O-N 2.67Å; Q863-K866 VanDerWaalsContact O-N 3.12Å; Q863-F892 CarbonylContact C-O 3.41Å; Q863-F892 VanDerWaalsContact CA-O 3.31Å; Q863-F892 WeakPolarHBondContact CA-O 3.47Å; Q863-F892 HydrophobicContact CB-CD1 4.4Å; Q863-F892 VanDerWaalsContact CD-CE1 3.43Å; Q863-F892 HydrophobicContact CG-CD1 3.76Å; Q863-F892 HydrophobicContact CG-CE1 4.16Å
864	L	96.7	Very high	97.2	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.021	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-61.7	-25.6	-173.9	-65.8	177.5	0	0	0	113.5	K866 V867 L889 L890 F892 F918	L864-K866 PolarHBondContact O-N 3.1Å; L864-V867 WeakPolarHBondContact O-CB 3.35Å; L864-V867 PolarHBondContact O-N 3.23Å; L864-L889 HydrophobicContact CD2-CB 4.33Å; L864-L889 HydrophobicContact CD2-CD1 4.27Å; L864-L890 WeakPolarHBondContact CG-O 3.35Å; L864-F892 PolarHBondContact N-O 3.44Å; L864-F918 HydrophobicContact CD1-CE1 4.03Å; L864-F918 HydrophobicContact CD2-CE1 4.1Å
865	Y	94.5	Very high	97.5	Very high	39 Å²	39	18.1 Å²	18.1	15%	0.153	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-62.2	-18.8	178.6	75.1	-111.7	0	0	0	113.4	Q484 L522 Q863 V867	Q484-Y865 WeakPolarHBondContact CG-O 3.45Å; Q484-Y865 PolarHBondContact NE2-O 2.91Å; L522-Y865 HydrophobicContact CD1-CD2 3.5Å; L522-Y865 HydrophobicContact CD1-CE2 3.7Å; L522-Y865 HydrophobicContact CD2-CD2 4.32Å; L522-Y865 HydrophobicContact CD2-CE2 4.32Å; Q863-Y865 HydrophobicContact CB-CD1 3.61Å; Q863-Y865 HydrophobicContact CB-CE1 3.57Å; Q863-Y865 HydrophobicContact CB-CG 4.46Å; Q863-Y865 HydrophobicContact CG-CD1 4.42Å; Q863-Y865 HydrophobicContact CG-CE1 3.94Å; Q863-Y865 PolarHBondContact O-N 3.33Å; Q863-Y865 VanDerWaalsContact O-N 3.13Å; Y865-V867 VanDerWaalsContact C-N 3.25Å
866	K	96.7	Very high	97.7	Very high	23 Å²	23	17.8 Å²	17.8	10%	0.1	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-76.1	-12.9	175.7	-64.1	-162.6	-174.2	176.8	0	113.3	N862 Q863 L864 T940 C943 N944	N862-K866 HydrophobicContact CB-CD 3.99Å; N862-K866 PolarHBondContact OD1-NZ 2.93Å; Q863-K866 PolarHBondContact O-N 2.67Å; Q863-K866 VanDerWaalsContact O-N 3.12Å; L864-K866 PolarHBondContact O-N 3.1Å; K866-T940 HydrophobicContact CB-CG2 4.09Å; K866-C943 HydrophobicContact CD-CB 4.17Å; K866-C943 WeakPolarHBondContact CD-O 3.23Å; K866-N944 PolarHBondContact NZ-O 3.46Å
867	V	97.4	Very high	97.7	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.024	10%	0.099	C	C	.	.			trans	-85.9	125.4	178.7	-171.5	0	0	0	0	109	Q484 W489 L864 Y865 T871 M872 W875 T940	Q484-V867 PolarHBondContact NE2-O 3.44Å; W489-V867 HydrophobicContact CH2-CB 4.38Å; W489-V867 HydrophobicContact CH2-CG1 3.8Å; W489-V867 HydrophobicContact CZ2-CB 4.26Å; W489-V867 HydrophobicContact CZ2-CG1 4.12Å; W489-V867 WeakPolarHBondContact CZ2-O 3.5Å; L864-V867 WeakPolarHBondContact O-CB 3.35Å; L864-V867 PolarHBondContact O-N 3.23Å; Y865-V867 VanDerWaalsContact C-N 3.25Å; V867-T871 HydrophobicContact CG1-CG2 4.14Å; V867-M872 HydrophobicContact CG1-CB 4.23Å; V867-M872 HydrophobicContact CG1-CE 4.23Å; V867-W875 HydrophobicContact CB-CZ3 4.49Å; V867-W875 HydrophobicContact CG1-CE3 4.37Å; V867-W875 HydrophobicContact CG1-CH2 4.38Å; V867-W875 HydrophobicContact CG1-CZ3 3.93Å; V867-W875 HydrophobicContact CG2-CH2 3.61Å; V867-W875 HydrophobicContact CG2-CZ3 3.66Å; V867-T940 HydrophobicContact CG2-CG2 4.09Å
868	D	96.3	Very high	97.7	Very high	16 Å²	16	21.2 Å²	21.2	9%	0.086	10%	0.099	C	C	.	.			trans	-109.4	170.9	172.2	81.9	-60.4	0	0	0	110.5	S870 T871 M872 L942	D868-S870 PolarHBondContact O-N 2.88Å; D868-S870 WeakPolarHBondContact OD2-CB 3.41Å; D868-S870 PolarHBondContact OD2-N 3.3Å; D868-T871 PolarHBondContact O-N 3Å; D868-T871 VanDerWaalsContact O-N 3.11Å; D868-T871 WeakPolarHBondContact OD1-CB 3.35Å; D868-T871 PolarHBondContact OD1-N 2.88Å; D868-T871 PolarHBondContact OD1-OG1 3.45Å; D868-M872 PolarHBondContact O-N 3.46Å; D868-L942 HydrophobicContact CB-CD1 3.83Å
869	P	97.6	Very high	97.7	Very high	20 Å²	20	21.3 Å²	21.3	13%	0.13	10%	0.1	C	C	.	.	H	α-helix	trans	-58.1	-31.1	179.5	-27.2	36.5	0	0	0	114.5	W489 Y492 R873 M907	W489-P869 HydrophobicContact CB-CG 3.82Å; W489-P869 HydrophobicContact CD2-CG 3.85Å; W489-P869 HydrophobicContact CE3-CG 4.23Å; W489-P869 HydrophobicContact CG-CG 3.65Å; Y492-P869 HydrophobicContact CD1-CG 3.74Å; Y492-P869 HydrophobicContact CD2-CG 3.96Å; Y492-P869 HydrophobicContact CE1-CG 4.12Å; Y492-P869 HydrophobicContact CE2-CG 4.32Å; Y492-P869 HydrophobicContact CG-CG 3.65Å; P869-R873 WeakPolarHBondContact O-CB 3.43Å; P869-R873 PolarHBondContact O-N 3.17Å; P869-R873 VanDerWaalsContact O-N 3.14Å; P869-M907 HydrophobicContact CB-CE 4.42Å
870	S	97.4	Very high	97.7	Very high	36 Å²	36	26.2 Å²	26.2	25%	0.252	12%	0.121	S	C	.	.	H	α-helix	trans	-69.8	-43.4	176.8	-151.3	0	0	0	0	110.7	D868 R873 M874 Q989	D868-S870 PolarHBondContact O-N 2.88Å; D868-S870 WeakPolarHBondContact OD2-CB 3.41Å; D868-S870 PolarHBondContact OD2-N 3.3Å; S870-R873 WeakPolarHBondContact O-CB 3.34Å; S870-R873 PolarHBondContact O-N 3.08Å; S870-M874 PolarHBondContact O-N 2.97Å; S870-M874 VanDerWaalsContact O-N 3.09Å; S870-Q989 PolarHBondContact OG-NE2 3.11Å; S870-Q989 PolarHBondContact OG-OE1 2.94Å
871	T	98.4	Very high	97.7	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-62	-48.6	175.8	-58.8	0	0	0	0	112.1	V867 D868 R873 M874 W875 T940 P941	V867-T871 HydrophobicContact CG1-CG2 4.14Å; D868-T871 PolarHBondContact O-N 3Å; D868-T871 VanDerWaalsContact O-N 3.11Å; D868-T871 WeakPolarHBondContact OD1-CB 3.35Å; D868-T871 PolarHBondContact OD1-N 2.88Å; D868-T871 PolarHBondContact OD1-OG1 3.45Å; T871-R873 PolarHBondContact O-N 2.99Å; T871-M874 PolarHBondContact O-N 3.22Å; T871-W875 HydrophobicContact CG2-CD2 3.96Å; T871-W875 VanDerWaalsContact CG2-CE2 3.48Å; T871-W875 HydrophobicContact CG2-CE3 4.42Å; T871-W875 HydrophobicContact CG2-CH2 4.11Å; T871-W875 HydrophobicContact CG2-CZ2 3.57Å; T871-W875 HydrophobicContact CG2-CZ3 4.5Å; T871-W875 PolarHBondContact O-N 3.36Å; T871-T940 HydrophobicContact CG2-CG2 4.13Å; T871-P941 VanDerWaalsContact OG1-CD 3.24Å; T871-P941 WeakPolarHBondContact OG1-CD 3.4Å
872	M	98.6	Very high	97.7	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-60.3	-36.6	178.4	-175.3	60.8	75.4	0	0	111.4	W489 V867 D868 W875 V876 A900 A904 M907	W489-M872 HydrophobicContact CH2-CB 3.86Å; W489-M872 HydrophobicContact CH2-CE 3.97Å; W489-M872 HydrophobicContact CH2-CG 4.32Å; W489-M872 HydrophobicContact CZ3-CB 3.59Å; W489-M872 HydrophobicContact CZ3-CE 4.26Å; W489-M872 HydrophobicContact CZ3-CG 3.86Å; V867-M872 HydrophobicContact CG1-CB 4.23Å; V867-M872 HydrophobicContact CG1-CE 4.23Å; D868-M872 PolarHBondContact O-N 3.46Å; M872-W875 PolarHBondContact O-N 3.37Å; M872-W875 HydrophobicContact SD-CE3 4.36Å; M872-V876 HydrophobicContact CG-CG2 4.37Å; M872-V876 WeakPolarHBondContact O-CB 3.41Å; M872-V876 VanDerWaalsContact O-CG2 3.31Å; M872-V876 WeakPolarHBondContact O-CG2 3.47Å; M872-V876 PolarHBondContact O-N 3.39Å; M872-V876 HydrophobicContact SD-CG2 4.4Å; M872-A900 HydrophobicContact CE-CB 3.92Å; M872-A904 HydrophobicContact CG-CB 4.44Å; M872-A904 HydrophobicContact SD-CB 4.02Å; M872-M907 HydrophobicContact CB-CE 4.13Å; M872-M907 HydrophobicContact CB-SD 4.13Å; M872-M907 HydrophobicContact CG-CE 4.22Å; M872-M907 HydrophobicContact CG-SD 3.85Å
873	R	98.7	Very high	97.8	Very high	120 Å²	120	31.9 Å²	31.9	45%	0.453	17%	0.165	S	C	.	.	H	α-helix	trans	-62.1	-48.7	175.9	-171.3	-175.1	-49.8	-72.1	-12.2	112.1	P869 S870 T871 W875 V876 E877 M907	P869-R873 WeakPolarHBondContact O-CB 3.43Å; P869-R873 PolarHBondContact O-N 3.17Å; P869-R873 VanDerWaalsContact O-N 3.14Å; S870-R873 WeakPolarHBondContact O-CB 3.34Å; S870-R873 PolarHBondContact O-N 3.08Å; T871-R873 PolarHBondContact O-N 2.99Å; R873-W875 VanDerWaalsContact C-N 3.29Å; R873-W875 PolarHBondContact O-N 3.32Å; R873-V876 PolarHBondContact O-N 3.07Å; R873-E877 WeakPolarHBondContact O-CG 3.14Å; R873-E877 PolarHBondContact O-N 3.28Å; R873-M907 HydrophobicContact CB-SD 3.97Å
874	M	98.8	Very high	97.9	Very high	3 Å²	3	33 Å²	33	2%	0.015	17%	0.172	C	C	.	.	H	α-helix	trans	-57.7	-43.2	175.2	-71.7	-172.8	-68.2	0	0	111.4	S870 T871 E877 I878 P941 Q989 Y992 V993	S870-M874 PolarHBondContact O-N 2.97Å; S870-M874 VanDerWaalsContact O-N 3.09Å; T871-M874 PolarHBondContact O-N 3.22Å; M874-E877 PolarHBondContact O-N 3.48Å; M874-I878 WeakPolarHBondContact O-CD1 3.43Å; M874-I878 VanDerWaalsContact O-CG1 3.23Å; M874-I878 WeakPolarHBondContact O-CG1 3.49Å; M874-I878 PolarHBondContact O-N 2.91Å; M874-P941 HydrophobicContact CE-CG 3.78Å; M874-Q989 HydrophobicContact CE-CG 4.49Å; M874-Q989 HydrophobicContact CG-CB 4.31Å; M874-Q989 HydrophobicContact SD-CB 3.6Å; M874-Q989 VanDerWaalsContact SD-CB 3.6Å; M874-Q989 HydrophobicContact SD-CG 3.71Å; M874-Y992 HydrophobicContact CB-CD1 4.37Å; M874-Y992 HydrophobicContact CE-CD1 4.47Å; M874-Y992 HydrophobicContact SD-CD1 3.87Å; M874-Y992 HydrophobicContact SD-CG 4.21Å; M874-V993 HydrophobicContact CB-CG2 3.88Å; M874-V993 HydrophobicContact CG-CG2 3.96Å
875	W	98.9	Very high	98	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	17%	0.172	C	C	.	.	H	α-helix	trans	-65.1	-40.9	178	-67.2	-6.6	0	0	0	112.7	N860 V867 T871 M872 R873 E877 I878 L879 L887 L889 L938 T940 Y992	N860-W875 HydrophobicContact CB-CH2 3.94Å; N860-W875 HydrophobicContact CB-CZ2 4.16Å; N860-W875 WeakPolarHBondContact ND2-CZ2 3.33Å; V867-W875 HydrophobicContact CB-CZ3 4.49Å; V867-W875 HydrophobicContact CG1-CE3 4.37Å; V867-W875 HydrophobicContact CG1-CH2 4.38Å; V867-W875 HydrophobicContact CG1-CZ3 3.93Å; V867-W875 HydrophobicContact CG2-CH2 3.61Å; V867-W875 HydrophobicContact CG2-CZ3 3.66Å; T871-W875 HydrophobicContact CG2-CD2 3.96Å; T871-W875 VanDerWaalsContact CG2-CE2 3.48Å; T871-W875 HydrophobicContact CG2-CE3 4.42Å; T871-W875 HydrophobicContact CG2-CH2 4.11Å; T871-W875 HydrophobicContact CG2-CZ2 3.57Å; T871-W875 HydrophobicContact CG2-CZ3 4.5Å; T871-W875 PolarHBondContact O-N 3.36Å; M872-W875 PolarHBondContact O-N 3.37Å; M872-W875 HydrophobicContact SD-CE3 4.36Å; R873-W875 VanDerWaalsContact C-N 3.29Å; R873-W875 PolarHBondContact O-N 3.32Å; W875-E877 VanDerWaalsContact C-N 3.34Å; W875-E877 PolarHBondContact O-N 2.97Å; W875-I878 PolarHBondContact O-N 3.21Å; W875-L879 VanDerWaalsContact O-CG 3.32Å; W875-L879 WeakPolarHBondContact O-CG 3.27Å; W875-L879 PolarHBondContact O-N 3.21Å; W875-L887 HydrophobicContact CB-CD2 4.06Å; W875-L887 HydrophobicContact CD2-CD2 4.06Å; W875-L887 HydrophobicContact CE3-CD2 3.62Å; W875-L887 HydrophobicContact CG-CD2 4.29Å; W875-L887 HydrophobicContact CZ3-CD2 4.33Å; W875-L889 HydrophobicContact CE3-CD2 4.35Å; W875-L889 HydrophobicContact CH2-CD2 4.11Å; W875-L889 HydrophobicContact CZ3-CD1 4.31Å; W875-L889 HydrophobicContact CZ3-CD2 3.66Å; W875-L938 HydrophobicContact CG-CD1 4.33Å; W875-L938 WeakPolarHBondContact CZ2-O 3.5Å; W875-T940 HydrophobicContact CH2-CG2 4.08Å; W875-T940 HydrophobicContact CZ2-CG2 4.03Å; W875-Y992 PolarHBondContact NE1-OH 3.17Å
876	V	98.9	Very high	98.2	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.012	17%	0.168	C	C	.	.	H	α-helix	trans	-62.6	-41.2	173.5	167.5	0	0	0	0	111.1	M872 R873 L879 K880 A904 M907 L909	M872-V876 HydrophobicContact CG-CG2 4.37Å; M872-V876 WeakPolarHBondContact O-CB 3.41Å; M872-V876 VanDerWaalsContact O-CG2 3.31Å; M872-V876 WeakPolarHBondContact O-CG2 3.47Å; M872-V876 PolarHBondContact O-N 3.39Å; M872-V876 HydrophobicContact SD-CG2 4.4Å; R873-V876 PolarHBondContact O-N 3.07Å; V876-L879 PolarHBondContact O-N 3.49Å; V876-K880 HydrophobicContact CG1-CD 4.15Å; V876-K880 VanDerWaalsContact O-CG 3.31Å; V876-K880 WeakPolarHBondContact O-CG 3.06Å; V876-K880 PolarHBondContact O-N 3.41Å; V876-A904 HydrophobicContact CG2-CB 3.94Å; V876-M907 HydrophobicContact CB-CB 4.4Å; V876-M907 HydrophobicContact CG1-CB 4.1Å; V876-M907 HydrophobicContact CG2-CB 4.15Å; V876-M907 HydrophobicContact CG2-SD 4.44Å; V876-L909 HydrophobicContact CG1-CB 4.04Å; V876-L909 HydrophobicContact CG2-CB 4.22Å; V876-L909 HydrophobicContact CG2-CD2 4.43Å
877	E	98.8	Very high	98.3	Very high	93 Å²	93	30.4 Å²	30.4	44%	0.435	16%	0.163	S	C	.	.	H	α-helix	trans	-63.7	-42.8	175.5	-73.8	173	-168.1	0	0	112.1	R873 M874 W875 K880 G881 V993	R873-E877 WeakPolarHBondContact O-CG 3.14Å; R873-E877 PolarHBondContact O-N 3.28Å; M874-E877 PolarHBondContact O-N 3.48Å; W875-E877 VanDerWaalsContact C-N 3.34Å; W875-E877 PolarHBondContact O-N 2.97Å; E877-K880 PolarHBondContact O-N 2.96Å; E877-G881 PolarHBondContact O-N 3.11Å; E877-V993 HydrophobicContact CB-CG1 4.32Å; E877-V993 HydrophobicContact CB-CG2 4.47Å
878	I	98.9	Very high	98.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.6	-47.9	174	-69	160.6	0	0	0	110.6	F858 M874 W875 K880 G881 V882 L938 Y992 V993 A996	F858-I878 HydrophobicContact CD2-CG2 4.27Å; F858-I878 HydrophobicContact CE1-CG2 4.16Å; F858-I878 HydrophobicContact CE2-CG2 3.76Å; F858-I878 HydrophobicContact CZ-CG2 3.71Å; M874-I878 WeakPolarHBondContact O-CD1 3.43Å; M874-I878 VanDerWaalsContact O-CG1 3.23Å; M874-I878 WeakPolarHBondContact O-CG1 3.49Å; M874-I878 PolarHBondContact O-N 2.91Å; W875-I878 PolarHBondContact O-N 3.21Å; I878-K880 VanDerWaalsContact C-N 3.29Å; I878-K880 PolarHBondContact O-N 3.46Å; I878-G881 CarbonylContact O-C 3.57Å; I878-G881 PolarHBondContact O-N 3.16Å; I878-G881 VanDerWaalsContact O-N 3.11Å; I878-V882 PolarHBondContact O-N 2.94Å; I878-L938 HydrophobicContact CD1-CD1 3.96Å; I878-L938 HydrophobicContact CD1-CD2 4.27Å; I878-L938 HydrophobicContact CG2-CD1 4.32Å; I878-Y992 HydrophobicContact CD1-CD1 4.02Å; I878-Y992 HydrophobicContact CD1-CE1 3.73Å; I878-V993 HydrophobicContact CD1-CG2 4.45Å; I878-V993 HydrophobicContact CG1-CB 4.23Å; I878-V993 HydrophobicContact CG1-CG1 3.99Å; I878-V993 HydrophobicContact CG1-CG2 4.17Å; I878-A996 HydrophobicContact CD1-CB 3.46Å; I878-A996 VanDerWaalsContact CD1-CB 3.46Å; I878-A996 HydrophobicContact CG1-CB 3.79Å; I878-A996 HydrophobicContact CG2-CB 4.01Å
879	L	98.9	Very high	98.5	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-64.6	-31.4	178.6	-70.8	175.3	0	0	0	112.6	F858 W875 V876 V882 S885 L887 L909 R915 I916	F858-L879 HydrophobicContact CD2-CD2 4.29Å; W875-L879 VanDerWaalsContact O-CG 3.32Å; W875-L879 WeakPolarHBondContact O-CG 3.27Å; W875-L879 PolarHBondContact O-N 3.21Å; V876-L879 PolarHBondContact O-N 3.49Å; L879-V882 CarbonylContact O-C 3.56Å; L879-V882 VanDerWaalsContact O-O 3.1Å; L879-S885 WeakPolarHBondContact CD2-OG 3.45Å; L879-L887 HydrophobicContact CD1-CB 3.87Å; L879-L887 HydrophobicContact CD1-CD2 4.41Å; L879-L887 HydrophobicContact CD2-CB 4.08Å; L879-L887 HydrophobicContact CG-CB 4.4Å; L879-L909 HydrophobicContact CB-CD1 3.87Å; L879-L909 HydrophobicContact CD1-CD1 4.28Å; L879-L909 HydrophobicContact CD1-CD2 3.59Å; L879-R915 PolarHBondContact O-NH1 2.98Å; L879-R915 PolarHBondContact O-NH2 2.97Å; L879-I916 HydrophobicContact CD1-CG1 4.17Å
880	K	98.7	Very high	98.5	Very high	103 Å²	103	29.3 Å²	29.3	45%	0.448	16%	0.156	S	C	.	.	H	α-helix	trans	-71.2	-39.8	171.2	-73.4	173.4	-177.2	174.7	0	111.5	V876 E877 I878 V882 M907 G908	V876-K880 HydrophobicContact CG1-CD 4.15Å; V876-K880 VanDerWaalsContact O-CG 3.31Å; V876-K880 WeakPolarHBondContact O-CG 3.06Å; V876-K880 PolarHBondContact O-N 3.41Å; E877-K880 PolarHBondContact O-N 2.96Å; I878-K880 VanDerWaalsContact C-N 3.29Å; I878-K880 PolarHBondContact O-N 3.46Å; K880-V882 VanDerWaalsContact C-N 3.3Å; K880-V882 PolarHBondContact O-N 2.97Å; K880-M907 PolarHBondContact NZ-O 3.26Å; K880-G908 WeakPolarHBondContact CE-O 3.35Å
881	G	98.4	Very high	98.5	Very high	32 Å²	32	30.8 Å²	30.8	33%	0.33	16%	0.156	S	C	.	.	H	α-helix	trans	-71.9	-19	178.1	0	0	0	0	0	114.5	E877 I878 N1001	E877-G881 PolarHBondContact O-N 3.11Å; I878-G881 CarbonylContact O-C 3.57Å; I878-G881 PolarHBondContact O-N 3.16Å; I878-G881 VanDerWaalsContact O-N 3.11Å; G881-N1001 PolarHBondContact O-ND2 3.45Å
882	V	98.6	Very high	98.3	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.018	17%	0.173	C	C	.	.	S	Bend	trans	-124.9	82.2	176.8	-170.6	0	0	0	0	108.5	V856 F858 I878 L879 K880 N884 S885 R915 T997	V856-V882 HydrophobicContact CB-CG1 4.46Å; V856-V882 HydrophobicContact CG2-CG1 4.49Å; F858-V882 HydrophobicContact CE2-CB 4.23Å; F858-V882 HydrophobicContact CE2-CG1 4.34Å; F858-V882 HydrophobicContact CE2-CG2 4.25Å; F858-V882 HydrophobicContact CZ-CG2 4.2Å; I878-V882 PolarHBondContact O-N 2.94Å; L879-V882 CarbonylContact O-C 3.56Å; L879-V882 VanDerWaalsContact O-O 3.1Å; K880-V882 VanDerWaalsContact C-N 3.3Å; K880-V882 PolarHBondContact O-N 2.97Å; V882-N884 VanDerWaalsContact C-N 3.3Å; V882-N884 PolarHBondContact O-N 3.43Å; V882-S885 WeakPolarHBondContact O-CB 3.39Å; V882-S885 PolarHBondContact O-N 2.97Å; V882-S885 PolarHBondContact O-OG 3.05Å; V882-R915 PolarHBondContact O-NH2 2.94Å; V882-T997 HydrophobicContact CG2-CG2 4.11Å
883	P	97.3	Very high	98	Very high	96 Å²	96	35.9 Å²	35.9	62%	0.623	18%	0.18	S	C	*	.	S	Bend	trans	-59.4	-36.8	-169	-27.4	35.6	0	0	0	114.4	S885 R915	P883-S885 PolarHBondContact O-N 3.03Å; P883-R915 PolarHBondContact O-NH2 3.16Å
884	N	97.2	Very high	97.8	Very high	92 Å²	92	33 Å²	33	49%	0.492	18%	0.182	S	C	.	.	S	Bend	trans	-93.3	64.6	176.9	-169.1	25.1	0	0	0	111.2	D854 A855 V856 V882	D854-N884 PolarHBondContact O-ND2 3.31Å; A855-N884 WeakPolarHBondContact CA-O 3.5Å; A855-N884 WeakPolarHBondContact CB-O 3.35Å; A855-N884 VanDerWaalsContact CB-OD1 3.3Å; A855-N884 WeakPolarHBondContact CB-OD1 3.49Å; V856-N884 PolarHBondContact N-O 2.93Å; V882-N884 VanDerWaalsContact C-N 3.3Å; V882-N884 PolarHBondContact O-N 3.43Å
885	S	98.5	Very high	97.6	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	159.4	178.4	66.5	0	0	0	0	112.7	V856 L879 V882 P883 R915	V856-S885 CarbonylContact O-C 3.52Å; V856-S885 WeakPolarHBondContact O-CA 3.41Å; V856-S885 VanDerWaalsContact O-CB 3.24Å; V856-S885 WeakPolarHBondContact O-CB 3.37Å; L879-S885 WeakPolarHBondContact CD2-OG 3.45Å; V882-S885 WeakPolarHBondContact O-CB 3.39Å; V882-S885 PolarHBondContact O-N 2.97Å; V882-S885 PolarHBondContact O-OG 3.05Å; P883-S885 PolarHBondContact O-N 3.03Å; S885-R915 VanDerWaalsContact O-CZ 3.31Å; S885-R915 PolarHBondContact O-NE 3.11Å; S885-R915 PolarHBondContact O-NH2 3.02Å; S885-R915 PolarHBondContact OG-NH2 3.28Å; S885-R915 VanDerWaalsContact OG-NH2 3.11Å
886	V	98.8	Very high	97.5	Very high	9 Å²	9	35.2 Å²	35.2	6%	0.055	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	153.5	170.4	-62.5	0	0	0	0	110.3	P852 V856 V857 F858 R914 R915 L917	P852-V886 HydrophobicContact CG-CG1 3.84Å; P852-V886 HydrophobicContact CG-CG2 3.83Å; V856-V886 PolarHBondContact O-N 3.26Å; V857-V886 HydrophobicContact CB-CG2 4.39Å; V857-V886 HydrophobicContact CG1-CG2 4.34Å; V857-V886 HydrophobicContact CG2-CG2 4.02Å; F858-V886 PolarHBondContact N-O 3.32Å; V886-R914 WeakPolarHBondContact CG1-O 3.47Å; V886-R915 CarbonylContact C-O 3.54Å; V886-R915 VanDerWaalsContact CA-O 3.3Å; V886-R915 WeakPolarHBondContact CA-O 3.3Å; V886-L917 HydrophobicContact CB-CD1 4.15Å; V886-L917 HydrophobicContact CB-CG 4.42Å; V886-L917 HydrophobicContact CG1-CD1 4.21Å; V886-L917 HydrophobicContact CG2-CD1 4.11Å
887	L	98.9	Very high	97.4	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.3	169.8	176.2	63.9	0	0	0	109.5	F858 W875 L879 L889 R915 I916 L917 L938	F858-L887 HydrophobicContact CB-CD1 3.93Å; F858-L887 CarbonylContact O-C 3.57Å; F858-L887 WeakPolarHBondContact O-CA 3.3Å; W875-L887 HydrophobicContact CB-CD2 4.06Å; W875-L887 HydrophobicContact CD2-CD2 4.06Å; W875-L887 HydrophobicContact CE3-CD2 3.62Å; W875-L887 HydrophobicContact CG-CD2 4.29Å; W875-L887 HydrophobicContact CZ3-CD2 4.33Å; L879-L887 HydrophobicContact CD1-CB 3.87Å; L879-L887 HydrophobicContact CD1-CD2 4.41Å; L879-L887 HydrophobicContact CD2-CB 4.08Å; L879-L887 HydrophobicContact CG-CB 4.4Å; L887-L889 HydrophobicContact CD1-CD2 3.9Å; L887-L889 HydrophobicContact CD2-CD1 4.23Å; L887-L889 HydrophobicContact CD2-CD2 3.95Å; L887-L889 HydrophobicContact CD2-CG 4.18Å; L887-L889 HydrophobicContact CG-CD2 3.73Å; L887-L889 HydrophobicContact CG-CG 3.96Å; L887-R915 PolarHBondContact N-O 3.19Å; L887-I916 HydrophobicContact CB-CG1 4.45Å; L887-I916 CarbonylContact O-C 3.49Å; L887-I916 WeakPolarHBondContact O-CA 3.5Å; L887-L917 PolarHBondContact O-N 3.28Å; L887-L938 HydrophobicContact CD1-CD1 4.21Å
888	W	98.7	Very high	97.3	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	102.6	-176.6	-170.7	30.5	0	0	0	111.2	Y849 L851 V857 F858 C859 N860 F861 L917 S919 R930 V933	Y849-W888 AromaticContact CD1-CH2 3.87Å; Y849-W888 HydrophobicContact CD1-CH2 3.87Å; Y849-W888 AromaticContact CD1-CZ2 3.59Å; Y849-W888 HydrophobicContact CD1-CZ2 3.59Å; Y849-W888 AromaticContact CD2-CH2 3.63Å; Y849-W888 HydrophobicContact CD2-CH2 3.63Å; Y849-W888 HydrophobicContact CD2-CZ2 4.11Å; Y849-W888 HydrophobicContact CE1-CH2 4.34Å; Y849-W888 HydrophobicContact CE1-CZ2 4.33Å; Y849-W888 HydrophobicContact CE2-CH2 4.13Å; Y849-W888 AromaticContact CG-CH2 3.48Å; Y849-W888 HydrophobicContact CG-CH2 3.48Å; Y849-W888 VanDerWaalsContact CG-CH2 3.48Å; Y849-W888 AromaticContact CG-CZ2 3.45Å; Y849-W888 HydrophobicContact CG-CZ2 3.45Å; Y849-W888 VanDerWaalsContact CG-CZ2 3.45Å; L851-W888 HydrophobicContact CD1-CD2 3.96Å; L851-W888 HydrophobicContact CD1-CE3 3.61Å; L851-W888 HydrophobicContact CD1-CH2 3.93Å; L851-W888 HydrophobicContact CD1-CZ2 4.24Å; L851-W888 HydrophobicContact CD1-CZ3 3.59Å; L851-W888 HydrophobicContact CD2-CB 4.2Å; L851-W888 HydrophobicContact CD2-CD2 3.85Å; L851-W888 HydrophobicContact CD2-CE3 4.27Å; L851-W888 HydrophobicContact CD2-CG 3.82Å; L851-W888 HydrophobicContact CG-CD2 4.42Å; V857-W888 HydrophobicContact CG1-CB 4.16Å; V857-W888 HydrophobicContact CG1-CE3 4.29Å; F858-W888 WeakPolarHBondContact O-CB 3.28Å; F858-W888 PolarHBondContact O-N 2.94Å; C859-W888 CarbonylContact C-O 3.53Å; C859-W888 VanDerWaalsContact CA-O 3.22Å; C859-W888 WeakPolarHBondContact CA-O 3.4Å; C859-W888 HydrophobicContact CB-CB 4.23Å; C859-W888 HydrophobicContact CB-CE3 4.4Å; N860-W888 PolarHBondContact N-O 3.01Å; F861-W888 AromaticContact CE1-CD2 3.85Å; F861-W888 HydrophobicContact CE1-CD2 3.85Å; F861-W888 AromaticContact CE1-CE3 3.83Å; F861-W888 HydrophobicContact CE1-CE3 3.83Å; F861-W888 HydrophobicContact CE1-CG 4.36Å; F861-W888 HydrophobicContact CE1-CH2 4.47Å; F861-W888 HydrophobicContact CE1-CZ2 4.49Å; F861-W888 HydrophobicContact CE1-CZ3 4.16Å; F861-W888 HydrophobicContact CZ-CD2 4.06Å; F861-W888 AromaticContact CZ-CE3 3.54Å; F861-W888 HydrophobicContact CZ-CE3 3.54Å; F861-W888 HydrophobicContact CZ-CH2 4.06Å; F861-W888 AromaticContact CZ-CZ3 3.55Å; F861-W888 HydrophobicContact CZ-CZ3 3.55Å; W888-L917 CarbonylContact C-O 3.58Å; W888-L917 WeakPolarHBondContact CA-O 3.28Å; W888-S919 WeakPolarHBondContact CZ2-OG 3.46Å; W888-S919 VanDerWaalsContact NE1-CB 3.31Å; W888-R930 HydrophobicContact CH2-CB 4.01Å; W888-R930 HydrophobicContact CH2-CG 4.11Å; W888-R930 HydrophobicContact CZ3-CG 4.48Å; W888-V933 HydrophobicContact CH2-CG2 4.47Å; W888-V933 HydrophobicContact CZ3-CG2 4.12Å
889	L	98.7	Very high	97.2	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	155.7	-176.8	-59.3	-177.5	0	0	0	111.7	N860 L864 W875 L887 I916 L917 F918 S919	N860-L889 HydrophobicContact CB-CD2 3.93Å; N860-L889 WeakPolarHBondContact O-CA 3.18Å; L864-L889 HydrophobicContact CD2-CB 4.33Å; L864-L889 HydrophobicContact CD2-CD1 4.27Å; W875-L889 HydrophobicContact CE3-CD2 4.35Å; W875-L889 HydrophobicContact CH2-CD2 4.11Å; W875-L889 HydrophobicContact CZ3-CD1 4.31Å; W875-L889 HydrophobicContact CZ3-CD2 3.66Å; L887-L889 HydrophobicContact CD1-CD2 3.9Å; L887-L889 HydrophobicContact CD2-CD1 4.23Å; L887-L889 HydrophobicContact CD2-CD2 3.95Å; L887-L889 HydrophobicContact CD2-CG 4.18Å; L887-L889 HydrophobicContact CG-CD2 3.73Å; L887-L889 HydrophobicContact CG-CG 3.96Å; L889-I916 HydrophobicContact CD1-CG2 3.82Å; L889-I916 HydrophobicContact CG-CG2 4.19Å; L889-L917 PolarHBondContact N-O 3.49Å; L889-F918 HydrophobicContact CB-CD1 3.9Å; L889-F918 HydrophobicContact CB-CE1 3.76Å; L889-F918 HydrophobicContact CB-CZ 4.35Å; L889-F918 HydrophobicContact CD1-CE1 4.09Å; L889-F918 HydrophobicContact CD1-CZ 3.99Å; L889-F918 CarbonylContact O-C 3.25Å; L889-F918 VanDerWaalsContact O-CA 3.3Å; L889-F918 WeakPolarHBondContact O-CA 3.2Å; L889-S919 PolarHBondContact O-N 3.41Å
890	L	98	Very high	97.2	Very high	12 Å²	12	37.1 Å²	37.1	6%	0.063	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	127.1	166.6	176	68.3	0	0	0	110.1	N860 F861 L864 F892 N920 V921	N860-L890 PolarHBondContact O-N 3.3Å; F861-L890 HydrophobicContact CB-CB 4.38Å; F861-L890 HydrophobicContact CD1-CB 4.41Å; F861-L890 WeakPolarHBondContact O-CD2 3.41Å; L864-L890 WeakPolarHBondContact CG-O 3.35Å; L890-F892 HydrophobicContact CD1-CB 4.35Å; L890-F892 HydrophobicContact CD2-CB 3.67Å; L890-F892 HydrophobicContact CG-CB 3.64Å; L890-F892 PolarHBondContact O-N 2.9Å; L890-N920 WeakPolarHBondContact CD1-O 3.26Å; L890-V921 HydrophobicContact CD1-CG2 4.27Å
891	R	97.1	Very high	97.2	Very high	67 Å²	67	33.3 Å²	33.3	25%	0.253	21%	0.212	S	C	.	.			trans	-72.3	63	170	-171.9	-178.2	-80.3	107.4	5.8	110	A894 E897 F918 S919 N920	R891-A894 HydrophobicContact CG-CB 3.81Å; R891-E897 WeakPolarHBondContact CD-OE2 3.23Å; R891-E897 IonicContact CZ-OE1 3.66Å; R891-E897 IonicContact CZ-OE2 3.69Å; R891-E897 IonicContact NE-OE1 3.11Å; R891-E897 IonicContact NE-OE2 3.61Å; R891-E897 PolarHBondContact NE-OE2 2.93Å; R891-E897 IonicContact NH2-OE1 3.27Å; R891-E897 PolarHBondContact NH2-OE1 2.99Å; R891-E897 IonicContact NH2-OE2 3.12Å; R891-E897 PolarHBondContact NH2-OE2 3.47Å; R891-F918 HydrophobicContact CB-CB 4.2Å; R891-F918 HydrophobicContact CB-CD1 4.26Å; R891-F918 PolarHBondContact NH1-O 3.3Å; R891-F918 VanDerWaalsContact NH1-O 3.13Å; R891-S919 WeakPolarHBondContact CB-O 3.47Å; R891-S919 PolarHBondContact N-O 3.47Å; R891-N920 PolarHBondContact NH1-OD1 3.02Å
892	F	94.6	Very high	97.2	Very high	85 Å²	85	34 Å²	34	37%	0.373	22%	0.215	S	C	.	.			trans	-146.1	119.3	178.5	-166.3	-115.8	0	0	0	114.1	Q863 L864 L890 V921	Q863-F892 CarbonylContact C-O 3.41Å; Q863-F892 VanDerWaalsContact CA-O 3.31Å; Q863-F892 WeakPolarHBondContact CA-O 3.47Å; Q863-F892 HydrophobicContact CB-CD1 4.4Å; Q863-F892 VanDerWaalsContact CD-CE1 3.43Å; Q863-F892 HydrophobicContact CG-CD1 3.76Å; Q863-F892 HydrophobicContact CG-CE1 4.16Å; L864-F892 PolarHBondContact N-O 3.44Å; L890-F892 HydrophobicContact CD1-CB 4.35Å; L890-F892 HydrophobicContact CD2-CB 3.67Å; L890-F892 HydrophobicContact CG-CB 3.64Å; L890-F892 PolarHBondContact O-N 2.9Å; F892-V921 HydrophobicContact CB-CG2 3.77Å; F892-V921 HydrophobicContact CD2-CG2 3.56Å; F892-V921 HydrophobicContact CE2-CG2 4.36Å; F892-V921 HydrophobicContact CG-CG2 3.74Å
893	P	93.8	Very high	97.1	Very high	25 Å²	25	34.2 Å²	34.2	16%	0.162	22%	0.217	C	C	.	.	S	Bend	cis	-68.9	151.8	-12	26.6	-27.3	0	0	0	111.1	L455 I485 A895 G896	L455-P893 HydrophobicContact CD1-CB 4.35Å; L455-P893 HydrophobicContact CD1-CG 4.16Å; I485-P893 HydrophobicContact CG2-CB 4.43Å; I485-P893 HydrophobicContact CG2-CG 3.15Å; P893-A895 PolarHBondContact O-N 2.98Å; P893-A895 VanDerWaalsContact O-N 3.1Å; P893-G896 PolarHBondContact O-N 3.16Å
894	A	94.3	Very high	97.2	Very high	60 Å²	60	29.7 Å²	29.7	50%	0.496	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-56.7	-29.2	-178.8	0	0	0	0	0	113.3	R891 G896 E897	R891-A894 HydrophobicContact CG-CB 3.81Å; A894-G896 PolarHBondContact O-N 3.26Å; A894-G896 VanDerWaalsContact O-N 3.11Å; A894-E897 WeakPolarHBondContact O-CB 3.43Å; A894-E897 PolarHBondContact O-N 3.44Å
895	A	94.3	Very high	97.3	Very high	51 Å²	51	28.5 Å²	28.5	42%	0.421	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-59.9	-20.3	177.3	0	0	0	0	0	114.3	L455 V486 P893	L455-A895 HydrophobicContact CD1-CB 3.77Å; V486-A895 HydrophobicContact CG1-CB 3.88Å; P893-A895 PolarHBondContact O-N 2.98Å; P893-A895 VanDerWaalsContact O-N 3.1Å
896	G	96.4	Very high	97.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-84.2	-11.9	178.5	0	0	0	0	0	115.5	C487 P893 A894 G899 A900	C487-G896 PolarHBondContact SG-O 3.31Å; P893-G896 PolarHBondContact O-N 3.16Å; A894-G896 PolarHBondContact O-N 3.26Å; A894-G896 VanDerWaalsContact O-N 3.11Å; G896-G899 PolarHBondContact O-N 2.9Å; G896-A900 WeakPolarHBondContact O-CB 3.48Å; G896-A900 PolarHBondContact O-N 3.31Å
897	E	97.5	Very high	97.1	Very high	44 Å²	44	37.6 Å²	37.6	21%	0.206	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-49.6	-175.4	173.7	169.3	-169.4	0	0	112.2	R891 A894 G899 A900 L901 F918	R891-E897 WeakPolarHBondContact CD-OE2 3.23Å; R891-E897 IonicContact CZ-OE1 3.66Å; R891-E897 IonicContact CZ-OE2 3.69Å; R891-E897 IonicContact NE-OE1 3.11Å; R891-E897 IonicContact NE-OE2 3.61Å; R891-E897 PolarHBondContact NE-OE2 2.93Å; R891-E897 IonicContact NH2-OE1 3.27Å; R891-E897 PolarHBondContact NH2-OE1 2.99Å; R891-E897 IonicContact NH2-OE2 3.12Å; R891-E897 PolarHBondContact NH2-OE2 3.47Å; A894-E897 WeakPolarHBondContact O-CB 3.43Å; A894-E897 PolarHBondContact O-N 3.44Å; E897-G899 PolarHBondContact O-N 3.38Å; E897-A900 PolarHBondContact O-N 3.37Å; E897-L901 HydrophobicContact CG-CD1 3.94Å; E897-L901 WeakPolarHBondContact O-CG 3.31Å; E897-L901 PolarHBondContact O-N 2.94Å; E897-F918 HydrophobicContact CB-CD1 4.4Å; E897-F918 HydrophobicContact CB-CE1 4.13Å; E897-F918 HydrophobicContact CB-CE2 4.5Å; E897-F918 HydrophobicContact CB-CZ 4.18Å; E897-F918 HydrophobicContact CG-CD1 4.22Å; E897-F918 HydrophobicContact CG-CD2 3.78Å; E897-F918 HydrophobicContact CG-CE1 4.13Å; E897-F918 HydrophobicContact CG-CE2 3.69Å; E897-F918 HydrophobicContact CG-CG 4.05Å; E897-F918 HydrophobicContact CG-CZ 3.87Å
898	A	96.8	Very high	97.1	Very high	73 Å²	73	39 Å²	39	60%	0.603	24%	0.243	S	C	*	.	H	α-helix	trans	-61.7	-42.9	-179.3	0	0	0	0	0	112.1	L901 A902	A898-L901 PolarHBondContact O-N 3.19Å; A898-A902 WeakPolarHBondContact O-CB 3.31Å; A898-A902 PolarHBondContact O-N 3.5Å
899	G	96.9	Very high	97.1	Very high	18 Å²	18	39.1 Å²	39.1	19%	0.186	24%	0.244	C	C	.	.	H	α-helix	trans	-64.5	-42.8	177.2	0	0	0	0	0	112.4	G896 E897 A902 A903	G896-G899 PolarHBondContact O-N 2.9Å; E897-G899 PolarHBondContact O-N 3.38Å; G899-A902 PolarHBondContact O-N 3.08Å; G899-A903 WeakPolarHBondContact O-CB 3.43Å; G899-A903 PolarHBondContact O-N 2.93Å
900	A	98.2	Very high	96.9	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-62.7	-43.9	176.9	0	0	0	0	0	112.3	C487 M872 G896 E897 A904 F918	C487-A900 HydrophobicContact CB-CB 4.31Å; M872-A900 HydrophobicContact CE-CB 3.92Å; G896-A900 WeakPolarHBondContact O-CB 3.48Å; G896-A900 PolarHBondContact O-N 3.31Å; E897-A900 PolarHBondContact O-N 3.37Å; A900-A904 WeakPolarHBondContact O-CB 3.49Å; A900-A904 PolarHBondContact O-N 3.44Å; A900-F918 HydrophobicContact CB-CZ 4.22Å
901	L	98.6	Very high	96.9	Very high	24 Å²	24	51.6 Å²	51.6	13%	0.126	30%	0.302	C	S	.	.	H	α-helix	trans	-65.4	-44.2	176.7	-70.1	170.6	0	0	0	111.9	E897 A898 A904 S905 V912 I916 F918	E897-L901 HydrophobicContact CG-CD1 3.94Å; E897-L901 WeakPolarHBondContact O-CG 3.31Å; E897-L901 PolarHBondContact O-N 2.94Å; A898-L901 PolarHBondContact O-N 3.19Å; L901-A904 PolarHBondContact O-N 3.11Å; L901-S905 WeakPolarHBondContact O-CB 3.44Å; L901-S905 PolarHBondContact O-N 3.35Å; L901-V912 HydrophobicContact CB-CG2 4.45Å; L901-V912 HydrophobicContact CD2-CG1 4.47Å; L901-V912 HydrophobicContact CD2-CG2 3.73Å; L901-I916 HydrophobicContact CD2-CB 3.98Å; L901-I916 HydrophobicContact CD2-CG2 4.29Å; L901-F918 HydrophobicContact CD1-CE2 4.27Å; L901-F918 HydrophobicContact CD2-CE2 3.91Å; L901-F918 HydrophobicContact CG-CE2 3.92Å
902	A	97.8	Very high	96.9	Very high	46 Å²	46	49.3 Å²	49.3	38%	0.38	30%	0.295	S	S	.	.	H	α-helix	trans	-60.2	-48.9	177	0	0	0	0	0	111.1	A898 G899 A904 S905 E906	A898-A902 WeakPolarHBondContact O-CB 3.31Å; A898-A902 PolarHBondContact O-N 3.5Å; G899-A902 PolarHBondContact O-N 3.08Å; A902-A904 PolarHBondContact O-N 3.08Å; A902-S905 WeakPolarHBondContact O-CB 3.48Å; A902-S905 PolarHBondContact O-N 3.15Å; A902-E906 WeakPolarHBondContact O-CG 3.45Å; A902-E906 PolarHBondContact O-N 3.48Å
903	A	97.7	Very high	97	Very high	8 Å²	8	50.9 Å²	50.9	7%	0.066	31%	0.307	C	S	.	.	H	α-helix	trans	-61	-43.1	178.3	0	0	0	0	0	112.6	W489 G899 S905 E906 M907	W489-A903 HydrophobicContact CE3-CB 3.4Å; W489-A903 HydrophobicContact CZ3-CB 3.39Å; G899-A903 WeakPolarHBondContact O-CB 3.43Å; G899-A903 PolarHBondContact O-N 2.93Å; A903-S905 VanDerWaalsContact C-N 3.33Å; A903-S905 PolarHBondContact O-N 2.94Å; A903-E906 PolarHBondContact O-N 3.41Å; A903-M907 WeakPolarHBondContact O-CB 3.43Å; A903-M907 VanDerWaalsContact O-CG 3.23Å; A903-M907 WeakPolarHBondContact O-CG 3.23Å; A903-M907 PolarHBondContact O-N 3.37Å
904	A	98.6	Very high	97.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64.1	-38.9	176.6	0	0	0	0	0	112.3	M872 V876 A900 L901 A902 M907 G908 L909 V912 I916	M872-A904 HydrophobicContact CG-CB 4.44Å; M872-A904 HydrophobicContact SD-CB 4.02Å; V876-A904 HydrophobicContact CG2-CB 3.94Å; A900-A904 WeakPolarHBondContact O-CB 3.49Å; A900-A904 PolarHBondContact O-N 3.44Å; L901-A904 PolarHBondContact O-N 3.11Å; A902-A904 PolarHBondContact O-N 3.08Å; A904-M907 PolarHBondContact O-N 2.85Å; A904-G908 PolarHBondContact O-N 3.03Å; A904-L909 HydrophobicContact CB-CD2 4.29Å; A904-L909 VanDerWaalsContact O-CB 3.31Å; A904-L909 WeakPolarHBondContact O-CB 3.39Å; A904-L909 PolarHBondContact O-N 3.07Å; A904-L909 VanDerWaalsContact O-N 3.07Å; A904-V912 HydrophobicContact CB-CG2 3.85Å; A904-I916 HydrophobicContact CB-CD1 3.5Å
905	S	98.3	Very high	97.3	Very high	68 Å²	68	57.1 Å²	57.1	48%	0.476	32%	0.315	S	S	.	.	H	α-helix	trans	-62.9	-46.3	174.7	-173.5	0	0	0	0	111.5	L901 A902 A903 M907 G908	L901-S905 WeakPolarHBondContact O-CB 3.44Å; L901-S905 PolarHBondContact O-N 3.35Å; A902-S905 WeakPolarHBondContact O-CB 3.48Å; A902-S905 PolarHBondContact O-N 3.15Å; A903-S905 VanDerWaalsContact C-N 3.33Å; A903-S905 PolarHBondContact O-N 2.94Å; S905-M907 VanDerWaalsContact C-N 3.27Å; S905-M907 PolarHBondContact O-N 3.46Å; S905-G908 WeakPolarHBondContact O-CA 3.36Å; S905-G908 PolarHBondContact O-N 3.4Å
906	E	97.2	Very high	97.5	Very high	166 Å²	166	54.9 Å²	54.9	78%	0.776	30%	0.296	S	S	*	.	H	α-helix	trans	-62.2	-32.6	175.6	-72.5	173.2	-172.3	0	0	112.6	A902 A903 G908	A902-E906 WeakPolarHBondContact O-CG 3.45Å; A902-E906 PolarHBondContact O-N 3.48Å; A903-E906 PolarHBondContact O-N 3.41Å; E906-G908 PolarHBondContact O-N 3Å
907	M	97.7	Very high	97.6	Very high	36 Å²	36	56.7 Å²	56.7	18%	0.177	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	4.1	171.8	-66.3	177	-167.6	0	0	113.3	P869 M872 R873 V876 K880 A903 A904 S905	P869-M907 HydrophobicContact CB-CE 4.42Å; M872-M907 HydrophobicContact CB-CE 4.13Å; M872-M907 HydrophobicContact CB-SD 4.13Å; M872-M907 HydrophobicContact CG-CE 4.22Å; M872-M907 HydrophobicContact CG-SD 3.85Å; R873-M907 HydrophobicContact CB-SD 3.97Å; V876-M907 HydrophobicContact CB-CB 4.4Å; V876-M907 HydrophobicContact CG1-CB 4.1Å; V876-M907 HydrophobicContact CG2-CB 4.15Å; V876-M907 HydrophobicContact CG2-SD 4.44Å; K880-M907 PolarHBondContact NZ-O 3.26Å; A903-M907 WeakPolarHBondContact O-CB 3.43Å; A903-M907 VanDerWaalsContact O-CG 3.23Å; A903-M907 WeakPolarHBondContact O-CG 3.23Å; A903-M907 PolarHBondContact O-N 3.37Å; A904-M907 PolarHBondContact O-N 2.85Å; S905-M907 VanDerWaalsContact C-N 3.27Å; S905-M907 PolarHBondContact O-N 3.46Å
908	G	97.7	Very high	97.7	Very high	30 Å²	30	55.6 Å²	55.6	31%	0.309	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	85	21.7	171.9	0	0	0	0	0	114.8	K880 A904 S905 E906 Q910	K880-G908 WeakPolarHBondContact CE-O 3.35Å; A904-G908 PolarHBondContact O-N 3.03Å; S905-G908 WeakPolarHBondContact O-CA 3.36Å; S905-G908 PolarHBondContact O-N 3.4Å; E906-G908 PolarHBondContact O-N 3Å; G908-Q910 PolarHBondContact O-N 3.35Å
909	L	98.4	Very high	97.6	Very high	6 Å²	6	52.5 Å²	52.5	3%	0.031	27%	0.274	C	S	.	.			trans	-74.5	114.8	170.9	-174.7	61.4	0	0	0	110.3	V876 L879 A904 V912 R915 I916	V876-L909 HydrophobicContact CG1-CB 4.04Å; V876-L909 HydrophobicContact CG2-CB 4.22Å; V876-L909 HydrophobicContact CG2-CD2 4.43Å; L879-L909 HydrophobicContact CB-CD1 3.87Å; L879-L909 HydrophobicContact CD1-CD1 4.28Å; L879-L909 HydrophobicContact CD1-CD2 3.59Å; A904-L909 HydrophobicContact CB-CD2 4.29Å; A904-L909 VanDerWaalsContact O-CB 3.31Å; A904-L909 WeakPolarHBondContact O-CB 3.39Å; A904-L909 PolarHBondContact O-N 3.07Å; A904-L909 VanDerWaalsContact O-N 3.07Å; L909-V912 HydrophobicContact CD2-CG2 4.24Å; L909-R915 HydrophobicContact CD1-CB 4.36Å; L909-R915 HydrophobicContact CD1-CG 4.39Å; L909-R915 HydrophobicContact CD2-CB 3.99Å; L909-R915 HydrophobicContact CG-CB 4.26Å; L909-I916 HydrophobicContact CD2-CD1 3.81Å; L909-I916 HydrophobicContact CD2-CG1 3.84Å
910	Q	96	Very high	97.4	Very high	148 Å²	148	56.5 Å²	56.5	69%	0.692	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	147.3	177.5	-61.4	-60.5	-34	0	0	111.4	G908 V912 R915	G908-Q910 PolarHBondContact O-N 3.35Å; Q910-V912 VanDerWaalsContact C-N 3.29Å; Q910-V912 PolarHBondContact O-N 2.86Å; Q910-R915 VanDerWaalsContact O-CG 3.28Å; Q910-R915 WeakPolarHBondContact O-CG 3.47Å
911	Q	96.2	Very high	97.2	Very high	128 Å²	128	60.9 Å²	60.9	60%	0.598	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	43	179.3	-54.8	-177.9	2.2	0	0	113.3	N913 R914 R915	Q911-N913 VanDerWaalsContact C-N 3.26Å; Q911-N913 PolarHBondContact O-N 3.2Å; Q911-R914 HydrophobicContact CB-CB 4.38Å; Q911-R914 WeakPolarHBondContact O-CA 3.4Å; Q911-R914 PolarHBondContact O-N 2.93Å; Q911-R915 HydrophobicContact CB-CG 4.47Å; Q911-R915 PolarHBondContact O-N 2.78Å; Q911-R915 VanDerWaalsContact O-N 3.12Å
912	V	97.9	Very high	96.9	Very high	18 Å²	18	60.5 Å²	60.5	11%	0.109	32%	0.317	C	S	.	.	H	α-helix	trans	-48.2	-43	-170.8	71.2	0	0	0	0	114	L901 A904 L909 Q910 R914 R915 I916	L901-V912 HydrophobicContact CB-CG2 4.45Å; L901-V912 HydrophobicContact CD2-CG1 4.47Å; L901-V912 HydrophobicContact CD2-CG2 3.73Å; A904-V912 HydrophobicContact CB-CG2 3.85Å; L909-V912 HydrophobicContact CD2-CG2 4.24Å; Q910-V912 VanDerWaalsContact C-N 3.29Å; Q910-V912 PolarHBondContact O-N 2.86Å; V912-R914 PolarHBondContact O-N 3.39Å; V912-R914 VanDerWaalsContact O-N 3.16Å; V912-R915 PolarHBondContact O-N 3.3Å; V912-I916 HydrophobicContact CG2-CD1 3.98Å; V912-I916 HydrophobicContact CG2-CG1 4.32Å; V912-I916 PolarHBondContact O-N 3.12Å
913	N	96.5	Very high	96.6	Very high	118 Å²	118	60.7 Å²	60.7	63%	0.631	32%	0.315	S	S	*	.	H	α-helix	trans	-66	-16.4	179.3	-65.2	-40.3	0	0	0	114.6	Q911	Q911-N913 VanDerWaalsContact C-N 3.26Å; Q911-N913 PolarHBondContact O-N 3.2Å
914	R	96.9	Very high	96.4	Very high	181 Å²	181	61.2 Å²	61.2	68%	0.683	32%	0.315	S	S	*	.	H	α-helix	trans	-99.6	-22	172.9	-64.9	-176.2	177.5	176.2	-2.2	112.4	V886 Q911 V912	V886-R914 WeakPolarHBondContact CG1-O 3.47Å; Q911-R914 HydrophobicContact CB-CB 4.38Å; Q911-R914 WeakPolarHBondContact O-CA 3.4Å; Q911-R914 PolarHBondContact O-N 2.93Å; V912-R914 PolarHBondContact O-N 3.39Å; V912-R914 VanDerWaalsContact O-N 3.16Å
915	R	98.4	Very high	96.2	Very high	36 Å²	36	61.4 Å²	61.4	14%	0.136	32%	0.316	C	S	.	.	H	α-helix	trans	-94	-28.1	-176.8	-62.4	-56.6	-56.8	-78.5	2.3	113	L879 V882 P883 S885 V886 L887 L909 Q910 Q911 V912	L879-R915 PolarHBondContact O-NH1 2.98Å; L879-R915 PolarHBondContact O-NH2 2.97Å; V882-R915 PolarHBondContact O-NH2 2.94Å; P883-R915 PolarHBondContact O-NH2 3.16Å; S885-R915 VanDerWaalsContact O-CZ 3.31Å; S885-R915 PolarHBondContact O-NE 3.11Å; S885-R915 PolarHBondContact O-NH2 3.02Å; S885-R915 PolarHBondContact OG-NH2 3.28Å; S885-R915 VanDerWaalsContact OG-NH2 3.11Å; V886-R915 CarbonylContact C-O 3.54Å; V886-R915 VanDerWaalsContact CA-O 3.3Å; V886-R915 WeakPolarHBondContact CA-O 3.3Å; L887-R915 PolarHBondContact N-O 3.19Å; L909-R915 HydrophobicContact CD1-CB 4.36Å; L909-R915 HydrophobicContact CD1-CG 4.39Å; L909-R915 HydrophobicContact CD2-CB 3.99Å; L909-R915 HydrophobicContact CG-CB 4.26Å; Q910-R915 VanDerWaalsContact O-CG 3.28Å; Q910-R915 WeakPolarHBondContact O-CG 3.47Å; Q911-R915 HydrophobicContact CB-CG 4.47Å; Q911-R915 PolarHBondContact O-N 2.78Å; Q911-R915 VanDerWaalsContact O-N 3.12Å; V912-R915 PolarHBondContact O-N 3.3Å
916	I	98.7	Very high	96	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	116.8	174.9	-54.9	-177.7	0	0	0	107.8	L879 L887 L889 L901 A904 L909 V912 F918	L879-I916 HydrophobicContact CD1-CG1 4.17Å; L887-I916 HydrophobicContact CB-CG1 4.45Å; L887-I916 CarbonylContact O-C 3.49Å; L887-I916 WeakPolarHBondContact O-CA 3.5Å; L889-I916 HydrophobicContact CD1-CG2 3.82Å; L889-I916 HydrophobicContact CG-CG2 4.19Å; L901-I916 HydrophobicContact CD2-CB 3.98Å; L901-I916 HydrophobicContact CD2-CG2 4.29Å; A904-I916 HydrophobicContact CB-CD1 3.5Å; L909-I916 HydrophobicContact CD2-CD1 3.81Å; L909-I916 HydrophobicContact CD2-CG1 3.84Å; V912-I916 HydrophobicContact CG2-CD1 3.98Å; V912-I916 HydrophobicContact CG2-CG1 4.32Å; V912-I916 PolarHBondContact O-N 3.12Å; I916-F918 HydrophobicContact CG2-CD2 4.29Å; I916-F918 HydrophobicContact CG2-CE2 3.61Å; I916-F918 HydrophobicContact CG2-CZ 4.05Å
917	L	98.5	Very high	95.9	Very high	37 Å²	37	52.6 Å²	52.6	19%	0.194	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	151.9	-179.3	-55.7	178.9	0	0	0	109.2	L851 V886 L887 W888 L889	L851-L917 HydrophobicContact CD2-CD1 3.81Å; V886-L917 HydrophobicContact CB-CD1 4.15Å; V886-L917 HydrophobicContact CB-CG 4.42Å; V886-L917 HydrophobicContact CG1-CD1 4.21Å; V886-L917 HydrophobicContact CG2-CD1 4.11Å; L887-L917 PolarHBondContact O-N 3.28Å; W888-L917 CarbonylContact C-O 3.58Å; W888-L917 WeakPolarHBondContact CA-O 3.28Å; L889-L917 PolarHBondContact N-O 3.49Å
918	F	98.2	Very high	95.9	Very high	22 Å²	22	50.9 Å²	50.9	10%	0.096	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	123.2	-174.7	-78.9	-91.1	0	0	0	111.6	L864 L889 R891 E897 A900 L901 I916	L864-F918 HydrophobicContact CD1-CE1 4.03Å; L864-F918 HydrophobicContact CD2-CE1 4.1Å; L889-F918 HydrophobicContact CB-CD1 3.9Å; L889-F918 HydrophobicContact CB-CE1 3.76Å; L889-F918 HydrophobicContact CB-CZ 4.35Å; L889-F918 HydrophobicContact CD1-CE1 4.09Å; L889-F918 HydrophobicContact CD1-CZ 3.99Å; L889-F918 CarbonylContact O-C 3.25Å; L889-F918 VanDerWaalsContact O-CA 3.3Å; L889-F918 WeakPolarHBondContact O-CA 3.2Å; R891-F918 HydrophobicContact CB-CB 4.2Å; R891-F918 HydrophobicContact CB-CD1 4.26Å; R891-F918 PolarHBondContact NH1-O 3.3Å; R891-F918 VanDerWaalsContact NH1-O 3.13Å; E897-F918 HydrophobicContact CB-CD1 4.4Å; E897-F918 HydrophobicContact CB-CE1 4.13Å; E897-F918 HydrophobicContact CB-CE2 4.5Å; E897-F918 HydrophobicContact CB-CZ 4.18Å; E897-F918 HydrophobicContact CG-CD1 4.22Å; E897-F918 HydrophobicContact CG-CD2 3.78Å; E897-F918 HydrophobicContact CG-CE1 4.13Å; E897-F918 HydrophobicContact CG-CE2 3.69Å; E897-F918 HydrophobicContact CG-CG 4.05Å; E897-F918 HydrophobicContact CG-CZ 3.87Å; A900-F918 HydrophobicContact CB-CZ 4.22Å; L901-F918 HydrophobicContact CD1-CE2 4.27Å; L901-F918 HydrophobicContact CD2-CE2 3.91Å; L901-F918 HydrophobicContact CG-CE2 3.92Å; I916-F918 HydrophobicContact CG2-CD2 4.29Å; I916-F918 HydrophobicContact CG2-CE2 3.61Å; I916-F918 HydrophobicContact CG2-CZ 4.05Å
919	S	95	Very high	95.8	Very high	8 Å²	8	49.5 Å²	49.5	6%	0.056	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	148.2	170.8	-157.3	0	0	0	0	111.4	W888 L889 R891 R930	W888-S919 WeakPolarHBondContact CZ2-OG 3.46Å; W888-S919 VanDerWaalsContact NE1-CB 3.31Å; L889-S919 PolarHBondContact O-N 3.41Å; R891-S919 WeakPolarHBondContact CB-O 3.47Å; R891-S919 PolarHBondContact N-O 3.47Å; S919-R930 PolarHBondContact OG-NH1 3.29Å
920	N	93.6	Very high	95.7	Very high	102 Å²	102	49.2 Å²	49.2	55%	0.545	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-72.8	166	169.9	-66.2	-29.4	0	0	0	111.7	L890 R891 A922 R930	L890-N920 WeakPolarHBondContact CD1-O 3.26Å; R891-N920 PolarHBondContact NH1-OD1 3.02Å; N920-A922 PolarHBondContact O-N 3.35Å; N920-R930 PolarHBondContact O-NH1 3.5Å
921	V	93.4	Very high	95.7	Very high	93 Å²	93	42.1 Å²	42.1	56%	0.564	21%	0.21	S	C	*	.	P	Polyproline II helix	trans	-61.1	131.1	164.5	-179.8	0	0	0	0	107.9	L890 F892	L890-V921 HydrophobicContact CD1-CG2 4.27Å; F892-V921 HydrophobicContact CB-CG2 3.77Å; F892-V921 HydrophobicContact CD2-CG2 3.56Å; F892-V921 HydrophobicContact CE2-CG2 4.36Å; F892-V921 HydrophobicContact CG-CG2 3.74Å
922	A	91.8	Very high	95.7	Very high	15 Å²	15	36 Å²	36	12%	0.124	18%	0.182	C	C	.	.			trans	-121	149.1	-176.1	0	0	0	0	0	109.8	N920 E926 H927	N920-A922 PolarHBondContact O-N 3.35Å; A922-E926 HydrophobicContact CB-CB 4.08Å; A922-E926 HydrophobicContact CB-CG 4.04Å; A922-H927 HydrophobicContact CB-CB 4.42Å
923	P	91.7	Very high	95.7	Very high	50 Å²	50	35.2 Å²	35.2	33%	0.325	18%	0.177	S	C	.	.			trans	-52.7	155	165.9	-25.4	36.3	0	0	0	111.6	S832 E925 E926 H927	S832-P923 VanDerWaalsContact C-CB 3.47Å; S832-P923 CarbonylContact O-C 3.6Å; S832-P923 WeakPolarHBondContact O-CB 3.48Å; P923-E925 VanDerWaalsContact C-N 3.35Å; P923-E925 PolarHBondContact O-N 3.46Å; P923-E926 PolarHBondContact O-N 3.31Å; P923-E926 VanDerWaalsContact O-N 3.15Å; P923-H927 WeakPolarHBondContact O-CB 3.47Å; P923-H927 PolarHBondContact O-N 3.08Å
924	K	94.1	Very high	95.8	Very high	19 Å²	19	29.6 Å²	29.6	8%	0.083	15%	0.147	C	C	.	.	H	α-helix	trans	-58.6	-41	-167.3	-178.5	61.3	-178.7	-168.4	0	113.9	H581 F721 S832 A833 H927 V928 D951	H581-K924 WeakPolarHBondContact ND1-CD 3.44Å; H581-K924 VanDerWaalsContact ND1-CE 3.26Å; H581-K924 WeakPolarHBondContact ND1-CE 3.49Å; H581-K924 PolarHBondContact ND1-NZ 3.22Å; F721-K924 HydrophobicContact CE1-CG 4.48Å; F721-K924 HydrophobicContact CZ-CG 3.89Å; S832-K924 PolarHBondContact O-N 2.87Å; A833-K924 VanDerWaalsContact O-CB 3.27Å; A833-K924 WeakPolarHBondContact O-CB 3.06Å; K924-H927 WeakPolarHBondContact O-CB 3.4Å; K924-H927 PolarHBondContact O-N 3.01Å; K924-V928 HydrophobicContact CD-CG2 4.35Å; K924-V928 WeakPolarHBondContact O-CG2 3.45Å; K924-V928 PolarHBondContact O-N 3.34Å; K924-V928 VanDerWaalsContact O-N 3.1Å; K924-D951 WeakPolarHBondContact CE-OD1 3.35Å; K924-D951 IonicContact NZ-OD1 2.59Å; K924-D951 PolarHBondContact NZ-OD1 3.02Å; K924-D951 IonicContact NZ-OD2 3.72Å; K924-D951 PolarHBondContact NZ-OD2 3.16Å
925	E	94.8	Very high	95.8	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.019	12%	0.117	C	C	.	.	H	α-helix	trans	-60.3	-50.3	177.9	-171.8	-74.2	151.8	0	0	110.8	F721 H723 A831 S832 P838 P923 H927 V928 R929	F721-E925 HydrophobicContact CE1-CB 4.46Å; H723-E925 IonicContact CD2-OE1 2.75Å; H723-E925 IonicContact CE1-OE1 2.7Å; H723-E925 IonicContact NE2-OE1 3.76Å; H723-E925 PolarHBondContact NE2-OE1 3.31Å; A831-E925 WeakPolarHBondContact O-CB 3.46Å; S832-E925 VanDerWaalsContact O-CB 3.27Å; S832-E925 WeakPolarHBondContact O-CB 3.41Å; S832-E925 PolarHBondContact O-N 2.87Å; P838-E925 HydrophobicContact CG-CG 3.81Å; P923-E925 VanDerWaalsContact C-N 3.35Å; P923-E925 PolarHBondContact O-N 3.46Å; E925-H927 VanDerWaalsContact C-N 3.32Å; E925-H927 PolarHBondContact O-N 3.28Å; E925-V928 PolarHBondContact O-N 2.96Å; E925-R929 WeakPolarHBondContact O-CB 3.49Å; E925-R929 PolarHBondContact O-N 3.44Å; E925-R929 WeakPolarHBondContact OE1-CD 3.3Å; E925-R929 IonicContact OE1-NE 3.08Å; E925-R929 PolarHBondContact OE1-NE 3.41Å; E925-R929 VanDerWaalsContact OE1-NE 3.08Å; E925-R929 IonicContact OE2-CZ 3.36Å; E925-R929 IonicContact OE2-NE 2.73Å; E925-R929 PolarHBondContact OE2-NE 2.95Å; E925-R929 IonicContact OE2-NH2 2.84Å; E925-R929 PolarHBondContact OE2-NH2 3.38Å
926	E	93.8	Very high	95.9	Very high	27 Å²	27	19.7 Å²	19.7	13%	0.126	11%	0.11	C	C	.	.	H	α-helix	trans	-63.8	-40.7	178.9	-174.4	-160.9	154.6	0	0	110.7	L822 Y849 A922 P923 V928 R929 R930	L822-E926 HydrophobicContact CD2-CG 4.24Å; L822-E926 WeakPolarHBondContact CD2-OE1 3.32Å; Y849-E926 WeakPolarHBondContact CE1-OE1 3.48Å; Y849-E926 WeakPolarHBondContact OH-CG 3.42Å; Y849-E926 PolarHBondContact OH-OE1 3.09Å; Y849-E926 VanDerWaalsContact OH-OE1 3.14Å; A922-E926 HydrophobicContact CB-CB 4.08Å; A922-E926 HydrophobicContact CB-CG 4.04Å; P923-E926 PolarHBondContact O-N 3.31Å; P923-E926 VanDerWaalsContact O-N 3.15Å; E926-V928 VanDerWaalsContact C-N 3.27Å; E926-V928 PolarHBondContact O-N 3.36Å; E926-R929 PolarHBondContact O-N 3.02Å; E926-R930 VanDerWaalsContact O-CB 3.31Å; E926-R930 WeakPolarHBondContact O-CB 3.44Å; E926-R930 WeakPolarHBondContact O-CG 3.42Å; E926-R930 PolarHBondContact O-N 3.4Å
927	H	95	Very high	95.9	Very high	23 Å²	23	19.7 Å²	19.7	11%	0.106	11%	0.11	C	C	.	.	H	α-helix	trans	-56.7	-41	177.9	-175.5	92.1	0	0	0	112.3	A922 P923 K924 E925 R930 D951	A922-H927 HydrophobicContact CB-CB 4.42Å; P923-H927 WeakPolarHBondContact O-CB 3.47Å; P923-H927 PolarHBondContact O-N 3.08Å; K924-H927 WeakPolarHBondContact O-CB 3.4Å; K924-H927 PolarHBondContact O-N 3.01Å; E925-H927 VanDerWaalsContact C-N 3.32Å; E925-H927 PolarHBondContact O-N 3.28Å; H927-R930 PolarHBondContact ND1-NH2 3.2Å; H927-R930 WeakPolarHBondContact O-CG 3.43Å; H927-D951 IonicContact CD2-OD2 2.73Å; H927-D951 PolarHBondContact CD2-OD2 3.41Å; H927-D951 IonicContact NE2-OD2 2.62Å
928	V	97	Very high	95.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-74.6	-53.3	175.1	176.1	0	0	0	0	109.9	F721 L724 K924 E925 E926 R930 G931 D951 A955	F721-V928 HydrophobicContact CD2-CG1 4.12Å; F721-V928 HydrophobicContact CD2-CG2 4.33Å; F721-V928 HydrophobicContact CE2-CB 4.39Å; F721-V928 HydrophobicContact CE2-CG1 4.33Å; F721-V928 HydrophobicContact CE2-CG2 3.72Å; F721-V928 HydrophobicContact CG-CG1 4.48Å; F721-V928 HydrophobicContact CZ-CB 4.48Å; F721-V928 HydrophobicContact CZ-CG2 3.81Å; L724-V928 HydrophobicContact CD1-CG1 3.73Å; K924-V928 HydrophobicContact CD-CG2 4.35Å; K924-V928 WeakPolarHBondContact O-CG2 3.45Å; K924-V928 PolarHBondContact O-N 3.34Å; K924-V928 VanDerWaalsContact O-N 3.1Å; E925-V928 PolarHBondContact O-N 2.96Å; E926-V928 VanDerWaalsContact C-N 3.27Å; E926-V928 PolarHBondContact O-N 3.36Å; V928-R930 VanDerWaalsContact C-N 3.32Å; V928-R930 PolarHBondContact O-N 3.19Å; V928-G931 PolarHBondContact O-N 2.7Å; V928-D951 HydrophobicContact CG2-CB 3.83Å; V928-A955 VanDerWaalsContact O-CB 3.27Å; V928-A955 WeakPolarHBondContact O-CB 3.01Å
929	R	95.7	Very high	95.9	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-58.9	-38.1	-173.6	179	173.1	51.3	80.2	1.2	113.2	L724 G821 I842 L843 T844 E925 E926 G931 Q932	L724-R929 HydrophobicContact CD1-CB 4.4Å; L724-R929 HydrophobicContact CD2-CB 4.08Å; L724-R929 HydrophobicContact CD2-CG 3.89Å; G821-R929 PolarHBondContact O-NH2 3.48Å; I842-R929 VanDerWaalsContact CG2-CZ 3.48Å; L843-R929 PolarHBondContact O-NH1 2.98Å; T844-R929 HydrophobicContact CG2-CG 4.19Å; T844-R929 WeakPolarHBondContact OG1-CD 3.33Å; T844-R929 WeakPolarHBondContact OG1-CG 3.39Å; T844-R929 PolarHBondContact OG1-NH1 3.09Å; E925-R929 WeakPolarHBondContact O-CB 3.49Å; E925-R929 PolarHBondContact O-N 3.44Å; E925-R929 WeakPolarHBondContact OE1-CD 3.3Å; E925-R929 IonicContact OE1-NE 3.08Å; E925-R929 PolarHBondContact OE1-NE 3.41Å; E925-R929 VanDerWaalsContact OE1-NE 3.08Å; E925-R929 IonicContact OE2-CZ 3.36Å; E925-R929 IonicContact OE2-NE 2.73Å; E925-R929 PolarHBondContact OE2-NE 2.95Å; E925-R929 IonicContact OE2-NH2 2.84Å; E925-R929 PolarHBondContact OE2-NH2 3.38Å; E926-R929 PolarHBondContact O-N 3.02Å; R929-G931 PolarHBondContact O-N 3.34Å; R929-Q932 VanDerWaalsContact O-CB 3.25Å; R929-Q932 WeakPolarHBondContact O-CB 3.45Å; R929-Q932 VanDerWaalsContact O-CG 3.25Å; R929-Q932 WeakPolarHBondContact O-CG 3.46Å; R929-Q932 PolarHBondContact O-N 2.84Å
930	R	95.8	Very high	96.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-64.7	-20.2	177.8	78.3	-172.4	-177.3	179.3	4.2	113.1	Y849 F861 W888 S919 N920 E926 H927 V928 Q932 V933	Y849-R930 HydrophobicContact CE1-CB 4.39Å; Y849-R930 HydrophobicContact CE2-CB 3.78Å; Y849-R930 WeakPolarHBondContact OH-CB 3.3Å; F861-R930 VanDerWaalsContact CD1-NH2 3.26Å; F861-R930 HydrophobicContact CE2-CG 3.85Å; F861-R930 VanDerWaalsContact CG-NH2 3.33Å; F861-R930 HydrophobicContact CZ-CG 3.96Å; W888-R930 HydrophobicContact CH2-CB 4.01Å; W888-R930 HydrophobicContact CH2-CG 4.11Å; W888-R930 HydrophobicContact CZ3-CG 4.48Å; S919-R930 PolarHBondContact OG-NH1 3.29Å; N920-R930 PolarHBondContact O-NH1 3.5Å; E926-R930 VanDerWaalsContact O-CB 3.31Å; E926-R930 WeakPolarHBondContact O-CB 3.44Å; E926-R930 WeakPolarHBondContact O-CG 3.42Å; E926-R930 PolarHBondContact O-N 3.4Å; H927-R930 PolarHBondContact ND1-NH2 3.2Å; H927-R930 WeakPolarHBondContact O-CG 3.43Å; V928-R930 VanDerWaalsContact C-N 3.32Å; V928-R930 PolarHBondContact O-N 3.19Å; R930-Q932 PolarHBondContact O-N 2.88Å; R930-Q932 VanDerWaalsContact O-N 3.16Å; R930-V933 VanDerWaalsContact O-CG2 3.23Å; R930-V933 WeakPolarHBondContact O-CG2 3.43Å; R930-V933 PolarHBondContact O-N 3.24Å
931	G	97	Very high	96.3	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-58	-23.8	170.4	0	0	0	0	0	112.9	V928 R929 V933 A934	V928-G931 PolarHBondContact O-N 2.7Å; R929-G931 PolarHBondContact O-N 3.34Å; G931-V933 VanDerWaalsContact C-N 3.27Å; G931-V933 PolarHBondContact O-N 3.45Å; G931-A934 PolarHBondContact O-N 3.03Å
932	Q	96.5	Very high	96.3	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-62.4	-34.1	179.5	-68	-170.2	96.8	0	0	112.6	N745 S750 R929 R930 A955 R1010	N745-Q932 WeakPolarHBondContact CB-O 3.44Å; S750-Q932 PolarHBondContact OG-NE2 3.04Å; R929-Q932 VanDerWaalsContact O-CB 3.25Å; R929-Q932 WeakPolarHBondContact O-CB 3.45Å; R929-Q932 VanDerWaalsContact O-CG 3.25Å; R929-Q932 WeakPolarHBondContact O-CG 3.46Å; R929-Q932 PolarHBondContact O-N 2.84Å; R930-Q932 PolarHBondContact O-N 2.88Å; R930-Q932 VanDerWaalsContact O-N 3.16Å; Q932-A955 HydrophobicContact CG-CB 4.06Å; Q932-R1010 PolarHBondContact O-NH2 3.13Å
933	V	97.1	Very high	96.6	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.05	C	C	.	.	G	3₁₀ helix	trans	-91.2	-7.7	-174.5	-58.2	0	0	0	0	113.9	N745 T844 R846 Y849 L851 W888 R930 G931	N745-V933 WeakPolarHBondContact O-CA 3.28Å; N745-V933 WeakPolarHBondContact O-CG1 3.44Å; T844-V933 HydrophobicContact CG2-CG1 3.74Å; T844-V933 HydrophobicContact CG2-CG2 4.49Å; R846-V933 HydrophobicContact CG-CB 4.09Å; R846-V933 PolarHBondContact NE-O 3.39Å; Y849-V933 HydrophobicContact CD2-CG2 4.1Å; Y849-V933 HydrophobicContact CE2-CG2 4.35Å; L851-V933 HydrophobicContact CD1-CG2 4.2Å; W888-V933 HydrophobicContact CH2-CG2 4.47Å; W888-V933 HydrophobicContact CZ3-CG2 4.12Å; R930-V933 VanDerWaalsContact O-CG2 3.23Å; R930-V933 WeakPolarHBondContact O-CG2 3.43Å; R930-V933 PolarHBondContact O-N 3.24Å; G931-V933 VanDerWaalsContact C-N 3.27Å; G931-V933 PolarHBondContact O-N 3.45Å
934	A	98.1	Very high	96.8	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.034	C	C	.	.			trans	-79.9	152.4	169.5	0	0	0	0	0	110.7	V857 C859 G931 R1010	V857-A934 HydrophobicContact CG1-CB 4.4Å; C859-A934 HydrophobicContact CB-CB 3.92Å; C859-A934 VanDerWaalsContact SG-CB 3.54Å; G931-A934 PolarHBondContact O-N 3.03Å; A934-R1010 PolarHBondContact O-NH1 3.23Å
935	D	98.7	Very high	96.7	Very high	10 Å²	10	6 Å²	6	5%	0.053	3%	0.031	C	C	.	.	S	Bend	trans	-90.7	-46.4	178.3	-70.1	-55.6	0	0	0	112.2	N745 R846 V856 V857 P958 L1006 R1010	N745-D935 PolarHBondContact ND2-OD1 3.01Å; R846-D935 IonicContact CZ-OD2 3.53Å; R846-D935 IonicContact NH2-OD1 3.32Å; R846-D935 PolarHBondContact NH2-OD1 3.27Å; R846-D935 VanDerWaalsContact NH2-OD1 3.12Å; R846-D935 IonicContact NH2-OD2 3.46Å; R846-D935 PolarHBondContact NH2-OD2 3.42Å; V856-D935 WeakPolarHBondContact CA-OD2 3.5Å; V856-D935 HydrophobicContact CG1-CB 3.99Å; V857-D935 PolarHBondContact N-OD2 3.4Å; V857-D935 WeakPolarHBondContact O-CB 3.32Å; V857-D935 PolarHBondContact O-N 2.89Å; D935-P958 WeakPolarHBondContact O-CD 3.42Å; D935-L1006 HydrophobicContact CB-CD2 4.15Å; D935-R1010 PolarHBondContact O-NH1 3.2Å
936	V	98.8	Very high	96.8	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	132.1	-175.9	-178.2	0	0	0	0	109.9	V857 F858 C859 L938 V960 L999 L1006	V857-V936 PolarHBondContact O-N 3.11Å; F858-V936 CarbonylContact C-O 3.5Å; F858-V936 WeakPolarHBondContact CA-O 3.17Å; F858-V936 HydrophobicContact CD1-CB 3.75Å; F858-V936 HydrophobicContact CD1-CG1 4.11Å; F858-V936 HydrophobicContact CD1-CG2 4.47Å; F858-V936 HydrophobicContact CE1-CB 3.93Å; F858-V936 HydrophobicContact CE1-CG1 4.2Å; F858-V936 HydrophobicContact CE1-CG2 4.21Å; C859-V936 PolarHBondContact N-O 3.26Å; V936-L938 HydrophobicContact CG1-CD2 4.16Å; V936-V960 HydrophobicContact CG1-CG2 3.8Å; V936-L999 HydrophobicContact CG1-CD1 3.9Å; V936-L999 HydrophobicContact CG2-CB 3.79Å; V936-L999 HydrophobicContact CG2-CD1 4.14Å; V936-L999 HydrophobicContact CG2-CG 4.4Å; V936-L1006 HydrophobicContact CG2-CD1 3.66Å
937	C	98.9	Very high	96.9	Very high	3 Å²	3	6.5 Å²	6.5	2%	0.02	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	128	169.7	-175.4	0	0	0	0	110.4	C859 V952 P958 V959 V960	C859-C937 CarbonylContact O-C 3.58Å; C859-C937 VanDerWaalsContact O-CA 3.25Å; C859-C937 WeakPolarHBondContact O-CA 3.38Å; C937-V952 HydrophobicContact CB-CB 4.47Å; C937-V952 HydrophobicContact CB-CG2 3.97Å; C937-P958 PolarHBondContact N-O 2.72Å; C937-V959 HydrophobicContact CB-CB 4.42Å; C937-V959 HydrophobicContact CB-CG2 3.93Å; C937-V959 CarbonylContact O-C 3.48Å; C937-V959 WeakPolarHBondContact O-CA 3.32Å; C937-V960 PolarHBondContact O-N 3.45Å
938	L	98.9	Very high	97	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.01	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	106.1	177.2	-63.2	-174.7	0	0	0	109.3	F858 C859 N860 W875 I878 L887 V936 V960 Y992 A996	F858-L938 HydrophobicContact CB-CD1 3.86Å; F858-L938 HydrophobicContact CB-CG 4.08Å; F858-L938 HydrophobicContact CD1-CD1 3.83Å; F858-L938 HydrophobicContact CD1-CD2 3.75Å; F858-L938 HydrophobicContact CD1-CG 3.74Å; F858-L938 HydrophobicContact CE1-CD2 4.16Å; F858-L938 HydrophobicContact CG-CD1 3.89Å; F858-L938 HydrophobicContact CG-CG 4.19Å; C859-L938 PolarHBondContact O-N 2.98Å; N860-L938 WeakPolarHBondContact CB-O 3.48Å; N860-L938 PolarHBondContact ND2-O 2.7Å; W875-L938 HydrophobicContact CG-CD1 4.33Å; W875-L938 WeakPolarHBondContact CZ2-O 3.5Å; I878-L938 HydrophobicContact CD1-CD1 3.96Å; I878-L938 HydrophobicContact CD1-CD2 4.27Å; I878-L938 HydrophobicContact CG2-CD1 4.32Å; L887-L938 HydrophobicContact CD1-CD1 4.21Å; V936-L938 HydrophobicContact CG1-CD2 4.16Å; L938-V960 HydrophobicContact CD2-CB 4.38Å; L938-Y992 WeakPolarHBondContact CA-OH 3.34Å; L938-Y992 WeakPolarHBondContact CB-OH 3.5Å; L938-A996 HydrophobicContact CD2-CB 3.65Å
939	D	98.6	Very high	97	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.038	C	C	.	.			trans	-79	160.2	-173.5	-164	21	0	0	0	114	N944 G945 V959 V960 T961 A972 Y992	D939-N944 WeakPolarHBondContact OD2-CA 3.48Å; D939-N944 WeakPolarHBondContact OD2-CB 3.39Å; D939-N944 VanDerWaalsContact OD2-CG 3.23Å; D939-N944 PolarHBondContact OD2-ND2 3.43Å; D939-G945 WeakPolarHBondContact OD1-CA 3.48Å; D939-G945 PolarHBondContact OD1-N 2.93Å; D939-G945 PolarHBondContact OD2-N 3.43Å; D939-V959 HydrophobicContact CB-CG1 3.99Å; D939-V960 WeakPolarHBondContact CB-O 3.37Å; D939-V960 PolarHBondContact N-O 2.83Å; D939-T961 PolarHBondContact OD2-OG1 3.19Å; D939-A972 VanDerWaalsContact OD2-CB 3.25Å; D939-A972 WeakPolarHBondContact OD2-CB 3.39Å; D939-Y992 PolarHBondContact N-OH 2.83Å; D939-Y992 VanDerWaalsContact N-OH 3.08Å; D939-Y992 PolarHBondContact O-OH 3.43Å
940	T	98.2	Very high	97.1	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.038	C	C	.	.			trans	-92.9	123.8	177.8	40.1	0	0	0	0	111.4	K866 V867 T871 W875 C943 N944	K866-T940 HydrophobicContact CB-CG2 4.09Å; V867-T940 HydrophobicContact CG2-CG2 4.09Å; T871-T940 HydrophobicContact CG2-CG2 4.13Å; W875-T940 HydrophobicContact CH2-CG2 4.08Å; W875-T940 HydrophobicContact CZ2-CG2 4.03Å; T940-C943 WeakPolarHBondContact CB-O 3.44Å; T940-C943 CarbonylContact O-C 3.57Å; T940-C943 VanDerWaalsContact O-O 3.06Å; T940-C943 PolarHBondContact OG1-O 3.24Å; T940-N944 VanDerWaalsContact O-CA 3.28Å; T940-N944 WeakPolarHBondContact O-CA 3.2Å; T940-N944 PolarHBondContact O-N 3.02Å; T940-N944 PolarHBondContact O-ND2 3.48Å
941	P	97.7	Very high	97.3	Very high	7 Å²	7	6.7 Å²	6.7	5%	0.045	4%	0.039	C	C	.	.	S	Bend	trans	-67.9	-42.1	-174.4	-21	31.6	0	0	0	115.5	T871 M874 C943 L962 L964 S969	T871-P941 VanDerWaalsContact OG1-CD 3.24Å; T871-P941 WeakPolarHBondContact OG1-CD 3.4Å; M874-P941 HydrophobicContact CE-CG 3.78Å; P941-C943 VanDerWaalsContact C-N 3.31Å; P941-C943 PolarHBondContact O-N 3.48Å; P941-L962 HydrophobicContact CB-CB 4.2Å; P941-L962 HydrophobicContact CB-CD2 4.26Å; P941-L962 HydrophobicContact CB-CG 4.33Å; P941-L962 HydrophobicContact CG-CB 4.11Å; P941-L962 HydrophobicContact CG-CD2 4.09Å; P941-L962 HydrophobicContact CG-CG 4.48Å; P941-L964 HydrophobicContact CB-CD1 3.87Å; P941-L964 HydrophobicContact CB-CG 4.1Å; P941-S969 WeakPolarHBondContact O-CA 3.42Å; P941-S969 WeakPolarHBondContact O-CB 3.33Å
942	L	94.9	Very high	97.3	Very high	41 Å²	41	6.8 Å²	6.8	22%	0.215	4%	0.039	C	C	.	.	S	Bend	trans	-64	-37.5	-175.3	-67	178.7	0	0	0	112.6	D868 L964	D868-L942 HydrophobicContact CB-CD1 3.83Å; L942-L964 HydrophobicContact CD2-CD1 3.99Å
943	C	96.5	Very high	97.4	Very high	6 Å²	6	6.8 Å²	6.8	4%	0.041	4%	0.039	C	C	.	.	S	Bend	trans	-146	111.7	172.5	178.9	0	0	0	0	107.5	M521 L522 K866 T940 P941	M521-C943 HydrophobicContact SD-CB 4.3Å; L522-C943 HydrophobicContact CD2-CB 4.02Å; K866-C943 HydrophobicContact CD-CB 4.17Å; K866-C943 WeakPolarHBondContact CD-O 3.23Å; T940-C943 WeakPolarHBondContact CB-O 3.44Å; T940-C943 CarbonylContact O-C 3.57Å; T940-C943 VanDerWaalsContact O-O 3.06Å; T940-C943 PolarHBondContact OG1-O 3.24Å; P941-C943 VanDerWaalsContact C-N 3.31Å; P941-C943 PolarHBondContact O-N 3.48Å
944	N	97.1	Very high	97.4	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.039	C	C	.	.			trans	-66.7	170.4	-176.3	-66.6	168.9	0	0	0	112.8	K866 D939 T940 H946 A968 S969 R970 V971 A972	K866-N944 PolarHBondContact NZ-O 3.46Å; D939-N944 WeakPolarHBondContact OD2-CA 3.48Å; D939-N944 WeakPolarHBondContact OD2-CB 3.39Å; D939-N944 VanDerWaalsContact OD2-CG 3.23Å; D939-N944 PolarHBondContact OD2-ND2 3.43Å; T940-N944 VanDerWaalsContact O-CA 3.28Å; T940-N944 WeakPolarHBondContact O-CA 3.2Å; T940-N944 PolarHBondContact O-N 3.02Å; T940-N944 PolarHBondContact O-ND2 3.48Å; N944-H946 PolarHBondContact O-CD2 3.46Å; N944-H946 PolarHBondContact O-N 2.93Å; N944-H946 VanDerWaalsContact O-N 3.15Å; N944-A968 PolarHBondContact N-O 3.2Å; N944-S969 VanDerWaalsContact CG-C 3.5Å; N944-S969 VanDerWaalsContact CG-O 3.29Å; N944-S969 PolarHBondContact ND2-O 2.95Å; N944-S969 VanDerWaalsContact ND2-O 3.12Å; N944-S969 PolarHBondContact OD1-O 3.41Å; N944-R970 PolarHBondContact OD1-N 3Å; N944-V971 PolarHBondContact OD1-N 3.3Å; N944-A972 HydrophobicContact CB-CB 3.79Å; N944-A972 WeakPolarHBondContact OD1-CB 3.5Å; N944-A972 PolarHBondContact OD1-N 3.24Å
945	G	91.2	Very high	97.4	Very high	2 Å²	2	6.9 Å²	6.9	2%	0.021	4%	0.04	C	C	.	.			trans	-73.2	92.9	164.9	0	0	0	0	0	109.5	N862 D939 G949	N862-G945 WeakPolarHBondContact OD1-CA 3.43Å; D939-G945 WeakPolarHBondContact OD1-CA 3.48Å; D939-G945 PolarHBondContact OD1-N 2.93Å; D939-G945 PolarHBondContact OD2-N 3.43Å; G945-G949 VanDerWaalsContact O-CA 3.24Å; G945-G949 WeakPolarHBondContact O-CA 3.48Å; G945-G949 PolarHBondContact O-N 3.32Å; G945-G949 VanDerWaalsContact O-N 3.12Å
946	H	96.5	Very high	97.3	Very high	22 Å²	22	6.4 Å²	6.4	10%	0.102	4%	0.037	C	C	.	.	S	Bend	trans	-73.6	-87.6	177.9	-60.1	175.5	0	0	0	109.2	F713 N944 T948 G949 M950 A968 V971 Q975	F713-H946 HydrophobicContact CE1-CB 4.14Å; F713-H946 HydrophobicContact CE2-CB 3.92Å; F713-H946 HydrophobicContact CZ-CB 3.51Å; N944-H946 PolarHBondContact O-CD2 3.46Å; N944-H946 PolarHBondContact O-N 2.93Å; N944-H946 VanDerWaalsContact O-N 3.15Å; H946-T948 VanDerWaalsContact C-N 3.32Å; H946-T948 PolarHBondContact O-N 2.88Å; H946-G949 PolarHBondContact O-N 3.38Å; H946-G949 VanDerWaalsContact O-N 3.15Å; H946-M950 PolarHBondContact O-N 3.41Å; H946-A968 PolarHBondContact NE2-O 2.77Å; H946-V971 HydrophobicContact CB-CG1 4.31Å; H946-V971 VanDerWaalsContact CD2-CB 3.41Å; H946-V971 WeakPolarHBondContact CD2-CB 3.4Å; H946-V971 WeakPolarHBondContact NE2-CG2 3.3Å; H946-Q975 PolarHBondContact O-NE2 3.43Å
947	T	97	Very high	97.3	Very high	21 Å²	21	6.4 Å²	6.4	13%	0.129	4%	0.037	C	C	.	.	H	α-helix	trans	-62	-39.5	174.3	-47.7	0	0	0	0	112.3	P578 L582 G949 M950 D951	P578-T947 HydrophobicContact CB-CG2 3.99Å; P578-T947 WeakPolarHBondContact CB-OG1 3.24Å; L582-T947 WeakPolarHBondContact CD1-OG1 3.44Å; L582-T947 HydrophobicContact CD2-CG2 4.18Å; L582-T947 HydrophobicContact CG-CG2 4.26Å; T947-G949 VanDerWaalsContact C-N 3.25Å; T947-G949 PolarHBondContact O-N 3.26Å; T947-M950 WeakPolarHBondContact O-CB 3.33Å; T947-M950 PolarHBondContact O-N 2.95Å; T947-M950 VanDerWaalsContact O-N 3.1Å; T947-D951 PolarHBondContact O-N 3.05Å
948	T	97	Very high	97.2	Very high	21 Å²	21	6.2 Å²	6.2	13%	0.129	4%	0.036	C	C	.	.	H	α-helix	trans	-60.2	-36.3	175.8	-55.3	0	0	0	0	112	F861 H946 D951 V952	F861-T948 HydrophobicContact CB-CG2 3.86Å; H946-T948 VanDerWaalsContact C-N 3.32Å; H946-T948 PolarHBondContact O-N 2.88Å; T948-D951 PolarHBondContact O-N 3.23Å; T948-V952 WeakPolarHBondContact O-CG2 3.39Å; T948-V952 PolarHBondContact O-N 3.28Å; T948-V952 VanDerWaalsContact O-N 3.09Å
949	G	97.7	Very high	97.2	Very high	3 Å²	3	6.2 Å²	6.2	3%	0.031	4%	0.036	C	C	.	.	H	α-helix	trans	-62.4	-45.1	173.9	0	0	0	0	0	111.5	G945 H946 T947 D951 V952 L953	G945-G949 VanDerWaalsContact O-CA 3.24Å; G945-G949 WeakPolarHBondContact O-CA 3.48Å; G945-G949 PolarHBondContact O-N 3.32Å; G945-G949 VanDerWaalsContact O-N 3.12Å; H946-G949 PolarHBondContact O-N 3.38Å; H946-G949 VanDerWaalsContact O-N 3.15Å; T947-G949 VanDerWaalsContact C-N 3.25Å; T947-G949 PolarHBondContact O-N 3.26Å; G949-D951 VanDerWaalsContact C-N 3.34Å; G949-D951 PolarHBondContact O-N 3.21Å; G949-V952 VanDerWaalsContact O-CG2 3.3Å; G949-V952 WeakPolarHBondContact O-CG2 3.49Å; G949-V952 PolarHBondContact O-N 3.1Å; G949-L953 VanDerWaalsContact O-CB 3.3Å; G949-L953 WeakPolarHBondContact O-CB 3.35Å; G949-L953 WeakPolarHBondContact O-CG 3.46Å; G949-L953 PolarHBondContact O-N 3.39Å
950	M	98.1	Very high	97.3	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-61.6	-42	175.7	-57.4	-63	-80.2	0	0	112.1	L582 F713 G715 H717 H946 T947 W954 Q975 L1022 F1023	L582-M950 HydrophobicContact CD2-CB 4.26Å; L582-M950 HydrophobicContact CD2-CG 3.88Å; F713-M950 HydrophobicContact CD1-CG 4.02Å; F713-M950 HydrophobicContact CD1-SD 4.27Å; F713-M950 HydrophobicContact CE1-CG 3.88Å; G715-M950 VanDerWaalsContact CA-CE 3.41Å; H717-M950 VanDerWaalsContact CE1-CB 3.42Å; H717-M950 WeakPolarHBondContact CE1-CB 3.35Å; H946-M950 PolarHBondContact O-N 3.41Å; T947-M950 WeakPolarHBondContact O-CB 3.33Å; T947-M950 PolarHBondContact O-N 2.95Å; T947-M950 VanDerWaalsContact O-N 3.1Å; M950-W954 WeakPolarHBondContact O-CB 3.23Å; M950-W954 PolarHBondContact O-N 2.82Å; M950-Q975 HydrophobicContact SD-CB 4.45Å; M950-Q975 HydrophobicContact SD-CG 3.74Å; M950-L1022 HydrophobicContact CE-CD1 3.64Å; M950-L1022 HydrophobicContact CE-CD2 4.3Å; M950-L1022 HydrophobicContact CE-CG 3.61Å; M950-L1022 WeakPolarHBondContact CE-O 3.47Å; M950-L1022 HydrophobicContact SD-CD1 3.73Å; M950-L1022 HydrophobicContact SD-CD2 3.98Å; M950-L1022 HydrophobicContact SD-CG 3.87Å; M950-F1023 HydrophobicContact CB-CE1 4.17Å; M950-F1023 HydrophobicContact CE-CD1 3.98Å; M950-F1023 HydrophobicContact CE-CE1 3.66Å; M950-F1023 HydrophobicContact CE-CZ 4.17Å; M950-F1023 HydrophobicContact SD-CE1 4.39Å; M950-F1023 HydrophobicContact SD-CZ 4.47Å
951	D	98.1	Very high	97.3	Very high	3 Å²	3	6.2 Å²	6.2	2%	0.016	4%	0.036	C	C	.	.	H	α-helix	trans	-59.1	-50.3	178.3	-65.6	-16.6	0	0	0	111.5	H717 K924 H927 V928 T947 T948 G949 A955	H717-D951 IonicContact CD2-OD1 3.55Å; H717-D951 IonicContact CE1-OD1 2.95Å; H717-D951 IonicContact NE2-OD1 3.56Å; H717-D951 PolarHBondContact NE2-OD1 2.83Å; K924-D951 WeakPolarHBondContact CE-OD1 3.35Å; K924-D951 IonicContact NZ-OD1 2.59Å; K924-D951 PolarHBondContact NZ-OD1 3.02Å; K924-D951 IonicContact NZ-OD2 3.72Å; K924-D951 PolarHBondContact NZ-OD2 3.16Å; H927-D951 IonicContact CD2-OD2 2.73Å; H927-D951 PolarHBondContact CD2-OD2 3.41Å; H927-D951 IonicContact NE2-OD2 2.62Å; V928-D951 HydrophobicContact CG2-CB 3.83Å; T947-D951 PolarHBondContact O-N 3.05Å; T948-D951 PolarHBondContact O-N 3.23Å; G949-D951 VanDerWaalsContact C-N 3.34Å; G949-D951 PolarHBondContact O-N 3.21Å; D951-A955 PolarHBondContact O-N 3.45Å; D951-A955 VanDerWaalsContact O-N 3.17Å
952	V	98.1	Very high	97.3	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.006	4%	0.035	C	C	.	.	H	α-helix	trans	-74.1	-35	-177.9	-60	0	0	0	0	112.7	F861 C937 T948 G949 A955 G956 C957 V959	F861-V952 HydrophobicContact CD2-CG1 4.05Å; F861-V952 HydrophobicContact CE2-CG1 4.38Å; C937-V952 HydrophobicContact CB-CB 4.47Å; C937-V952 HydrophobicContact CB-CG2 3.97Å; T948-V952 WeakPolarHBondContact O-CG2 3.39Å; T948-V952 PolarHBondContact O-N 3.28Å; T948-V952 VanDerWaalsContact O-N 3.09Å; G949-V952 VanDerWaalsContact O-CG2 3.3Å; G949-V952 WeakPolarHBondContact O-CG2 3.49Å; G949-V952 PolarHBondContact O-N 3.1Å; V952-A955 WeakPolarHBondContact O-CB 3.49Å; V952-A955 PolarHBondContact O-N 3.21Å; V952-G956 PolarHBondContact O-N 2.87Å; V952-C957 HydrophobicContact CB-CB 4.23Å; V952-C957 WeakPolarHBondContact O-CB 3.47Å; V952-C957 PolarHBondContact O-N 3.13Å; V952-V959 HydrophobicContact CG2-CG2 3.32Å
953	L	98.6	Very high	97.5	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-65.6	-40.1	175.1	-72	173.8	0	0	0	111.1	G949 A955 G956 V959 Q975 L976 L979 V1013 L1022 F1023	G949-L953 VanDerWaalsContact O-CB 3.3Å; G949-L953 WeakPolarHBondContact O-CB 3.35Å; G949-L953 WeakPolarHBondContact O-CG 3.46Å; G949-L953 PolarHBondContact O-N 3.39Å; L953-A955 VanDerWaalsContact C-N 3.28Å; L953-A955 PolarHBondContact O-N 3.45Å; L953-G956 PolarHBondContact O-N 3.12Å; L953-V959 HydrophobicContact CD2-CB 4.29Å; L953-V959 HydrophobicContact CD2-CG2 3.7Å; L953-V959 HydrophobicContact CG-CG2 3.8Å; L953-Q975 HydrophobicContact CD1-CB 4.21Å; L953-L976 HydrophobicContact CD2-CD2 4.17Å; L953-L979 HydrophobicContact CD1-CD2 4.27Å; L953-L979 HydrophobicContact CD2-CD2 3.69Å; L953-L979 HydrophobicContact CG-CD2 4.4Å; L953-V1013 HydrophobicContact CD2-CG1 4.13Å; L953-L1022 HydrophobicContact CD1-CD2 4.01Å; L953-F1023 HydrophobicContact CB-CE2 4.46Å; L953-F1023 HydrophobicContact CB-CZ 4.11Å
954	W	98	Very high	97.4	Very high	1 Å²	1	8.3 Å²	8.3	0%	0.004	5%	0.048	C	C	.	.	H	α-helix	trans	-63.1	-36.3	173.9	-174.6	-107.2	0	0	0	111.9	H717 Q718 F721 R725 M950 G956 R1017 E1018 F1023	H717-W954 HydrophobicContact CB-CB 3.89Å; H717-W954 HydrophobicContact CB-CD2 3.61Å; H717-W954 HydrophobicContact CB-CE3 4.04Å; H717-W954 HydrophobicContact CB-CG 3.49Å; H717-W954 VanDerWaalsContact CB-CG 3.49Å; Q718-W954 VanDerWaalsContact CA-CH2 3.46Å; Q718-W954 HydrophobicContact CB-CH2 3.64Å; Q718-W954 HydrophobicContact CB-CZ2 4.33Å; Q718-W954 HydrophobicContact CB-CZ3 3.84Å; Q718-W954 HydrophobicContact CG-CH2 3.88Å; Q718-W954 HydrophobicContact CG-CZ3 4.39Å; F721-W954 PolarHBondContact O-NE1 3.42Å; R725-W954 HydrophobicContact CG-CH2 4.36Å; R725-W954 HydrophobicContact CG-CZ2 4.03Å; M950-W954 WeakPolarHBondContact O-CB 3.23Å; M950-W954 PolarHBondContact O-N 2.82Å; W954-G956 PolarHBondContact O-N 2.58Å; W954-R1017 HydrophobicContact CE3-CB 4.01Å; W954-R1017 HydrophobicContact CE3-CG 3.97Å; W954-R1017 HydrophobicContact CH2-CG 4.5Å; W954-R1017 HydrophobicContact CZ3-CB 4.15Å; W954-R1017 HydrophobicContact CZ3-CG 3.85Å; W954-R1017 WeakPolarHBondContact O-CD 3.34Å; W954-E1018 HydrophobicContact CH2-CG 4.43Å; W954-F1023 HydrophobicContact CB-CE1 4.03Å; W954-F1023 HydrophobicContact CB-CZ 3.99Å; W954-F1023 HydrophobicContact CE3-CB 4.26Å; W954-F1023 AromaticContact CE3-CD1 3.94Å; W954-F1023 HydrophobicContact CE3-CD1 3.94Å; W954-F1023 AromaticContact CE3-CD2 3.87Å; W954-F1023 HydrophobicContact CE3-CD2 3.87Å; W954-F1023 HydrophobicContact CE3-CE1 4.18Å; W954-F1023 HydrophobicContact CE3-CE2 4.13Å; W954-F1023 AromaticContact CE3-CG 3.76Å; W954-F1023 HydrophobicContact CE3-CG 3.76Å; W954-F1023 HydrophobicContact CE3-CZ 4.28Å; W954-F1023 HydrophobicContact CZ3-CB 4.12Å; W954-F1023 HydrophobicContact CZ3-CD2 4.26Å; W954-F1023 HydrophobicContact CZ3-CG 4.1Å
955	A	96.9	Very high	97.3	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.008	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-4.1	173.7	0	0	0	0	0	114.1	V928 Q932 D951 V952 L953	V928-A955 VanDerWaalsContact O-CB 3.27Å; V928-A955 WeakPolarHBondContact O-CB 3.01Å; Q932-A955 HydrophobicContact CG-CB 4.06Å; D951-A955 PolarHBondContact O-N 3.45Å; D951-A955 VanDerWaalsContact O-N 3.17Å; V952-A955 WeakPolarHBondContact O-CB 3.49Å; V952-A955 PolarHBondContact O-N 3.21Å; L953-A955 VanDerWaalsContact C-N 3.28Å; L953-A955 PolarHBondContact O-N 3.45Å
956	G	96.5	Very high	97.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	12	179.9	0	0	0	0	0	114.8	V952 L953 W954	V952-G956 PolarHBondContact O-N 2.87Å; L953-G956 PolarHBondContact O-N 3.12Å; W954-G956 PolarHBondContact O-N 2.58Å
957	C	98.1	Very high	97.5	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.069	C	C	.	.			trans	-90.6	121.4	-180	-173.1	0	0	0	0	110.6	V952	V952-C957 HydrophobicContact CB-CB 4.23Å; V952-C957 WeakPolarHBondContact O-CB 3.47Å; V952-C957 PolarHBondContact O-N 3.13Å
958	P	98.6	Very high	97.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.063	C	C	.	.			trans	-57	140.8	172.3	-24.3	33.7	0	0	0	112.5	D935 C937 L984 M1009 R1010 V1013	D935-P958 WeakPolarHBondContact O-CD 3.42Å; C937-P958 PolarHBondContact N-O 2.72Å; P958-L984 HydrophobicContact CB-CD1 3.87Å; P958-M1009 HydrophobicContact CB-CG 3.86Å; P958-M1009 HydrophobicContact CG-CB 4.29Å; P958-M1009 HydrophobicContact CG-CG 3.75Å; P958-R1010 HydrophobicContact CG-CG 3.78Å; P958-V1013 HydrophobicContact CB-CG2 4.31Å; P958-V1013 HydrophobicContact CG-CG2 4.15Å
959	V	98.8	Very high	97.5	Very high	2 Å²	2	10.7 Å²	10.7	1%	0.012	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.7	176.4	-179.7	0	0	0	0	109.3	C937 D939 V952 L953 L976 L984	C937-V959 HydrophobicContact CB-CB 4.42Å; C937-V959 HydrophobicContact CB-CG2 3.93Å; C937-V959 CarbonylContact O-C 3.48Å; C937-V959 WeakPolarHBondContact O-CA 3.32Å; D939-V959 HydrophobicContact CB-CG1 3.99Å; V952-V959 HydrophobicContact CG2-CG2 3.32Å; L953-V959 HydrophobicContact CD2-CB 4.29Å; L953-V959 HydrophobicContact CD2-CG2 3.7Å; L953-V959 HydrophobicContact CG-CG2 3.8Å; V959-L976 HydrophobicContact CB-CD2 4.45Å; V959-L976 WeakPolarHBondContact O-CD1 3.5Å; V959-L984 VanDerWaalsContact O-CB 3.23Å; V959-L984 WeakPolarHBondContact O-CB 3.48Å
960	V	98.9	Very high	97.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	124.5	169.2	-176.2	0	0	0	0	108.4	V936 C937 L938 D939 L984 Y992 I995 L999	V936-V960 HydrophobicContact CG1-CG2 3.8Å; C937-V960 PolarHBondContact O-N 3.45Å; L938-V960 HydrophobicContact CD2-CB 4.38Å; D939-V960 WeakPolarHBondContact CB-O 3.37Å; D939-V960 PolarHBondContact N-O 2.83Å; V960-L984 WeakPolarHBondContact CA-O 3.47Å; V960-L984 HydrophobicContact CG2-CD2 4.47Å; V960-Y992 HydrophobicContact CB-CE2 4.37Å; V960-Y992 HydrophobicContact CG1-CD2 3.73Å; V960-Y992 HydrophobicContact CG1-CE2 3.84Å; V960-Y992 HydrophobicContact CG1-CG 4.25Å; V960-Y992 WeakPolarHBondContact O-CE2 3.4Å; V960-I995 HydrophobicContact CG1-CB 4.22Å; V960-I995 HydrophobicContact CG1-CG2 3.93Å; V960-I995 HydrophobicContact CG2-CG2 3.86Å; V960-L999 HydrophobicContact CG2-CD1 3.52Å
961	T	98.8	Very high	97.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.063	C	C	.	.	B	Isolated β-bridge	trans	-130.3	157.7	-179.8	-164.1	0	0	0	0	112.1	D939 A972 A973 L976 L984 V985 A986	D939-T961 PolarHBondContact OD2-OG1 3.19Å; T961-A972 HydrophobicContact CG2-CB 3.94Å; T961-A973 HydrophobicContact CG2-CB 4.39Å; T961-L976 HydrophobicContact CG2-CD1 3.59Å; T961-L984 PolarHBondContact N-O 3.48Å; T961-L984 VanDerWaalsContact N-O 3.12Å; T961-V985 HydrophobicContact CG2-CG1 4.46Å; T961-V985 HydrophobicContact CG2-CG2 4.3Å; T961-A986 WeakPolarHBondContact O-CB 3.31Å; T961-A986 PolarHBondContact O-N 2.9Å
962	L	98.6	Very high	97.6	Very high	6 Å²	6	12.4 Å²	12.4	3%	0.031	6%	0.062	C	C	.	.			trans	-126.1	100.6	176.6	173.9	59.2	0	0	0	108.8	P941 L964 A986 Q989 Y992	P941-L962 HydrophobicContact CB-CB 4.2Å; P941-L962 HydrophobicContact CB-CD2 4.26Å; P941-L962 HydrophobicContact CB-CG 4.33Å; P941-L962 HydrophobicContact CG-CB 4.11Å; P941-L962 HydrophobicContact CG-CD2 4.09Å; P941-L962 HydrophobicContact CG-CG 4.48Å; L962-L964 HydrophobicContact CD2-CD2 4.38Å; L962-L964 HydrophobicContact CG-CD2 4.15Å; L962-A986 HydrophobicContact CB-CB 4.39Å; L962-A986 HydrophobicContact CD1-CB 4.1Å; L962-A986 WeakPolarHBondContact CD1-O 3.43Å; L962-Q989 HydrophobicContact CD2-CG 3.94Å; L962-Y992 HydrophobicContact CB-CD2 3.78Å; L962-Y992 HydrophobicContact CB-CE2 4.43Å; L962-Y992 HydrophobicContact CB-CG 4.5Å
963	P	97.8	Very high	97.6	Very high	30 Å²	30	12.5 Å²	12.5	20%	0.195	6%	0.063	C	C	.	.			trans	-64.2	133.4	172.6	25.6	-34.6	0	0	0	112	S969 R970 A973 V985 A986	P963-S969 VanDerWaalsContact CA-O 3.27Å; P963-S969 WeakPolarHBondContact CA-O 3.37Å; P963-R970 HydrophobicContact CB-CG 3.88Å; P963-A973 HydrophobicContact CB-CB 4.2Å; P963-A973 HydrophobicContact CG-CB 4.28Å; P963-V985 HydrophobicContact CG-CG1 3.6Å; P963-A986 WeakPolarHBondContact CD-O 3.3Å
964	L	96.2	Very high	97.6	Very high	61 Å²	61	12.5 Å²	12.5	32%	0.319	6%	0.063	S	C	.	.			trans	-109.6	-139.5	169.6	-55.4	180	0	0	0	109.2	P941 L942 L962 S969 R970	P941-L964 HydrophobicContact CB-CD1 3.87Å; P941-L964 HydrophobicContact CB-CG 4.1Å; L942-L964 HydrophobicContact CD2-CD1 3.99Å; L962-L964 HydrophobicContact CD2-CD2 4.38Å; L962-L964 HydrophobicContact CG-CD2 4.15Å; L964-S969 VanDerWaalsContact C-OG 3.3Å; L964-S969 WeakPolarHBondContact CA-OG 3.18Å; L964-S969 WeakPolarHBondContact CB-OG 3.44Å; L964-S969 PolarHBondContact N-OG 3.39Å; L964-R970 PolarHBondContact O-NE 2.95Å; L964-R970 PolarHBondContact O-NH2 3.32Å
965	E	93.1	Very high	97.6	Very high	95 Å²	95	12.5 Å²	12.5	44%	0.444	6%	0.063	S	C	.	.	S	Bend	trans	-99.4	-19	-172.7	-60.3	-59.3	142.9	0	0	114.1	H527 L697 Q700 S969	H527-E965 PolarHBondContact CE1-O 2.97Å; H527-E965 VanDerWaalsContact CE1-O 3.31Å; H527-E965 WeakPolarHBondContact NE2-CB 3.5Å; L697-E965 WeakPolarHBondContact CD1-O 3.49Å; L697-E965 WeakPolarHBondContact CD1-OE2 3.47Å; L697-E965 WeakPolarHBondContact CD2-OE2 3.32Å; Q700-E965 PolarHBondContact NE2-O 3.41Å; E965-S969 PolarHBondContact N-OG 2.96Å
966	T	96.1	Very high	97.7	Very high	17 Å²	17	12.5 Å²	12.5	10%	0.104	6%	0.063	C	C	.	.	S	Bend	trans	-92	155.2	-174.9	70.5	0	0	0	0	111.9	A968 S969 R970	T966-A968 VanDerWaalsContact C-N 3.27Å; T966-A968 PolarHBondContact O-N 3.34Å; T966-S969 PolarHBondContact N-OG 3.09Å; T966-S969 PolarHBondContact O-N 3.36Å; T966-S969 PolarHBondContact O-OG 3.26Å; T966-S969 WeakPolarHBondContact OG1-CB 3.22Å; T966-S969 PolarHBondContact OG1-N 3.33Å; T966-S969 VanDerWaalsContact OG1-N 3.14Å; T966-S969 PolarHBondContact OG1-OG 3.02Å; T966-R970 WeakPolarHBondContact O-CG 3.34Å; T966-R970 PolarHBondContact O-N 3.41Å
967	L	96.9	Very high	97.7	Very high	4 Å²	4	16.8 Å²	16.8	2%	0.021	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-50.3	-50.7	170.6	-161.8	165.5	0	0	0	110.7	P675 I686 T692 Y701 F712 S969 R970 V971	P675-L967 HydrophobicContact CB-CD2 3.62Å; I686-L967 HydrophobicContact CD1-CD1 3.77Å; T692-L967 HydrophobicContact CG2-CB 4.36Å; T692-L967 HydrophobicContact CG2-CD2 3.45Å; T692-L967 VanDerWaalsContact CG2-CD2 3.45Å; T692-L967 HydrophobicContact CG2-CG 3.51Å; T692-L967 WeakPolarHBondContact CG2-O 3.09Å; Y701-L967 HydrophobicContact CE1-CB 4.39Å; Y701-L967 HydrophobicContact CE1-CD1 3.87Å; Y701-L967 WeakPolarHBondContact OH-CB 3.44Å; F712-L967 HydrophobicContact CE1-CD2 4.23Å; F712-L967 HydrophobicContact CZ-CD2 3.73Å; L967-S969 PolarHBondContact O-N 3Å; L967-S969 VanDerWaalsContact O-N 3.15Å; L967-R970 PolarHBondContact O-N 3.19Å; L967-V971 HydrophobicContact CD2-CG2 3.88Å; L967-V971 WeakPolarHBondContact O-CG2 3.43Å; L967-V971 PolarHBondContact O-N 3.02Å
968	A	96.7	Very high	97.7	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.008	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-58.5	-29.1	-179.6	0	0	0	0	0	114	M521 P675 N944 H946 T966	M521-A968 HydrophobicContact CB-CB 4.26Å; M521-A968 HydrophobicContact SD-CB 3.97Å; P675-A968 HydrophobicContact CB-CB 4.03Å; P675-A968 HydrophobicContact CG-CB 4.01Å; N944-A968 PolarHBondContact N-O 3.2Å; H946-A968 PolarHBondContact NE2-O 2.77Å; T966-A968 VanDerWaalsContact C-N 3.27Å; T966-A968 PolarHBondContact O-N 3.34Å
969	S	97.3	Very high	97.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-84.5	-5.2	176.7	69.7	0	0	0	0	114.6	P941 N944 P963 L964 E965 T966 L967	P941-S969 WeakPolarHBondContact O-CA 3.42Å; P941-S969 WeakPolarHBondContact O-CB 3.33Å; N944-S969 VanDerWaalsContact CG-C 3.5Å; N944-S969 VanDerWaalsContact CG-O 3.29Å; N944-S969 PolarHBondContact ND2-O 2.95Å; N944-S969 VanDerWaalsContact ND2-O 3.12Å; N944-S969 PolarHBondContact OD1-O 3.41Å; P963-S969 VanDerWaalsContact CA-O 3.27Å; P963-S969 WeakPolarHBondContact CA-O 3.37Å; L964-S969 VanDerWaalsContact C-OG 3.3Å; L964-S969 WeakPolarHBondContact CA-OG 3.18Å; L964-S969 WeakPolarHBondContact CB-OG 3.44Å; L964-S969 PolarHBondContact N-OG 3.39Å; E965-S969 PolarHBondContact N-OG 2.96Å; T966-S969 PolarHBondContact N-OG 3.09Å; T966-S969 PolarHBondContact O-N 3.36Å; T966-S969 PolarHBondContact O-OG 3.26Å; T966-S969 WeakPolarHBondContact OG1-CB 3.22Å; T966-S969 PolarHBondContact OG1-N 3.33Å; T966-S969 VanDerWaalsContact OG1-N 3.14Å; T966-S969 PolarHBondContact OG1-OG 3.02Å; L967-S969 PolarHBondContact O-N 3Å; L967-S969 VanDerWaalsContact O-N 3.15Å
970	R	98.2	Very high	97.4	Very high	42 Å²	42	19.9 Å²	19.9	16%	0.158	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-6.3	-172.6	-68.1	175.7	165.2	-93.1	-8.2	114.6	V691 T692 N944 P963 L964 T966 L967 A972 A973 S974	V691-R970 PolarHBondContact O-NH1 2.95Å; T692-R970 HydrophobicContact CG2-CB 4.17Å; T692-R970 WeakPolarHBondContact O-CD 3.34Å; N944-R970 PolarHBondContact OD1-N 3Å; P963-R970 HydrophobicContact CB-CG 3.88Å; L964-R970 PolarHBondContact O-NE 2.95Å; L964-R970 PolarHBondContact O-NH2 3.32Å; T966-R970 WeakPolarHBondContact O-CG 3.34Å; T966-R970 PolarHBondContact O-N 3.41Å; L967-R970 PolarHBondContact O-N 3.19Å; R970-A972 PolarHBondContact O-N 3.45Å; R970-A973 WeakPolarHBondContact O-CB 3.39Å; R970-A973 PolarHBondContact O-N 3.41Å; R970-A973 VanDerWaalsContact O-N 3.14Å; R970-S974 PolarHBondContact O-N 3.09Å; R970-S974 VanDerWaalsContact O-N 3.14Å
971	V	98.3	Very high	97.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.1	-44.7	-177.4	179.9	0	0	0	0	111.6	T692 F712 F713 N944 H946 L967 A973 S974 Q975	T692-V971 HydrophobicContact CG2-CG2 4.02Å; F712-V971 HydrophobicContact CE1-CG1 4.4Å; F712-V971 HydrophobicContact CE1-CG2 4.09Å; F712-V971 HydrophobicContact CZ-CG1 4.45Å; F712-V971 HydrophobicContact CZ-CG2 3.92Å; F713-V971 HydrophobicContact CB-CG1 3.97Å; F713-V971 HydrophobicContact CD1-CG1 4.13Å; F713-V971 HydrophobicContact CD2-CG1 3.59Å; F713-V971 HydrophobicContact CE2-CG1 4.11Å; F713-V971 HydrophobicContact CG-CG1 3.61Å; N944-V971 PolarHBondContact OD1-N 3.3Å; H946-V971 HydrophobicContact CB-CG1 4.31Å; H946-V971 VanDerWaalsContact CD2-CB 3.41Å; H946-V971 WeakPolarHBondContact CD2-CB 3.4Å; H946-V971 WeakPolarHBondContact NE2-CG2 3.3Å; L967-V971 HydrophobicContact CD2-CG2 3.88Å; L967-V971 WeakPolarHBondContact O-CG2 3.43Å; L967-V971 PolarHBondContact O-N 3.02Å; V971-A973 VanDerWaalsContact C-N 3.26Å; V971-A973 PolarHBondContact O-N 3.34Å; V971-S974 WeakPolarHBondContact O-CB 3.46Å; V971-S974 PolarHBondContact O-N 2.97Å; V971-S974 VanDerWaalsContact O-N 3.13Å; V971-Q975 HydrophobicContact CG1-CG 4.48Å; V971-Q975 WeakPolarHBondContact O-CG 3.49Å; V971-Q975 PolarHBondContact O-N 3.03Å
972	A	98.4	Very high	97.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-66.7	-30.7	-179.9	0	0	0	0	0	112	D939 N944 T961 R970 Q975 L976	D939-A972 VanDerWaalsContact OD2-CB 3.25Å; D939-A972 WeakPolarHBondContact OD2-CB 3.39Å; N944-A972 HydrophobicContact CB-CB 3.79Å; N944-A972 WeakPolarHBondContact OD1-CB 3.5Å; N944-A972 PolarHBondContact OD1-N 3.24Å; T961-A972 HydrophobicContact CG2-CB 3.94Å; R970-A972 PolarHBondContact O-N 3.45Å; A972-Q975 WeakPolarHBondContact O-CB 3.45Å; A972-Q975 PolarHBondContact O-N 2.95Å; A972-L976 WeakPolarHBondContact O-CB 3.31Å; A972-L976 VanDerWaalsContact O-CG 3.3Å; A972-L976 WeakPolarHBondContact O-CG 3.49Å; A972-L976 PolarHBondContact O-N 3.49Å
973	A	98.5	Very high	96.9	Very high	2 Å²	2	24.7 Å²	24.7	2%	0.017	14%	0.135	C	C	.	.	H	α-helix	trans	-63.4	-44	172.1	0	0	0	0	0	111.1	V691 T961 P963 R970 V971 Q975 L976 H977 V985	V691-A973 HydrophobicContact CG1-CB 3.92Å; T961-A973 HydrophobicContact CG2-CB 4.39Å; P963-A973 HydrophobicContact CB-CB 4.2Å; P963-A973 HydrophobicContact CG-CB 4.28Å; R970-A973 WeakPolarHBondContact O-CB 3.39Å; R970-A973 PolarHBondContact O-N 3.41Å; R970-A973 VanDerWaalsContact O-N 3.14Å; V971-A973 VanDerWaalsContact C-N 3.26Å; V971-A973 PolarHBondContact O-N 3.34Å; A973-Q975 VanDerWaalsContact C-N 3.35Å; A973-Q975 PolarHBondContact O-N 3.21Å; A973-L976 PolarHBondContact O-N 2.88Å; A973-H977 WeakPolarHBondContact O-CB 3.36Å; A973-H977 PolarHBondContact O-CD2 3.05Å; A973-H977 VanDerWaalsContact O-CD2 3.23Å; A973-H977 PolarHBondContact O-N 3.42Å; A973-V985 HydrophobicContact CB-CG1 3.87Å; A973-V985 HydrophobicContact CB-CG2 4.2Å
974	S	98.3	Very high	97	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.8	-42.3	174	173.3	0	0	0	0	112.4	D689 T692 T711 R970 V971 L976 H977 T978	D689-S974 VanDerWaalsContact CG-OG 3.27Å; D689-S974 PolarHBondContact OD1-OG 3.03Å; D689-S974 WeakPolarHBondContact OD2-CB 3.46Å; D689-S974 PolarHBondContact OD2-OG 3.24Å; T692-S974 WeakPolarHBondContact OG1-CB 3.38Å; T711-S974 WeakPolarHBondContact CB-OG 3.29Å; T711-S974 PolarHBondContact OG1-OG 3.5Å; R970-S974 PolarHBondContact O-N 3.09Å; R970-S974 VanDerWaalsContact O-N 3.14Å; V971-S974 WeakPolarHBondContact O-CB 3.46Å; V971-S974 PolarHBondContact O-N 2.97Å; V971-S974 VanDerWaalsContact O-N 3.13Å; S974-L976 PolarHBondContact O-N 3.37Å; S974-H977 PolarHBondContact O-N 3.34Å; S974-T978 WeakPolarHBondContact O-CB 3.45Å; S974-T978 PolarHBondContact O-N 2.96Å; S974-T978 PolarHBondContact O-OG1 2.68Å
975	Q	98.3	Very high	97.1	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-58	-49.9	174.9	-65.2	170.8	0.3	0	0	110.9	H946 M950 L953 V971 A972 A973 T978 L979 L1022	H946-Q975 PolarHBondContact O-NE2 3.43Å; M950-Q975 HydrophobicContact SD-CB 4.45Å; M950-Q975 HydrophobicContact SD-CG 3.74Å; L953-Q975 HydrophobicContact CD1-CB 4.21Å; V971-Q975 HydrophobicContact CG1-CG 4.48Å; V971-Q975 WeakPolarHBondContact O-CG 3.49Å; V971-Q975 PolarHBondContact O-N 3.03Å; A972-Q975 WeakPolarHBondContact O-CB 3.45Å; A972-Q975 PolarHBondContact O-N 2.95Å; A973-Q975 VanDerWaalsContact C-N 3.35Å; A973-Q975 PolarHBondContact O-N 3.21Å; Q975-T978 PolarHBondContact O-N 3.48Å; Q975-L979 VanDerWaalsContact O-CB 3.31Å; Q975-L979 WeakPolarHBondContact O-CB 3.4Å; Q975-L979 PolarHBondContact O-N 3.34Å; Q975-L1022 HydrophobicContact CB-CD1 4.14Å; Q975-L1022 HydrophobicContact CB-CD2 4.15Å; Q975-L1022 HydrophobicContact CG-CD1 4.16Å
976	L	98.5	Very high	97.3	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-66.4	-40.5	-179.2	-71.5	168.6	0	0	0	112.9	L953 V959 T961 A972 A973 S974 T978 L979 G980 C981 L984 V985	L953-L976 HydrophobicContact CD2-CD2 4.17Å; V959-L976 HydrophobicContact CB-CD2 4.45Å; V959-L976 WeakPolarHBondContact O-CD1 3.5Å; T961-L976 HydrophobicContact CG2-CD1 3.59Å; A972-L976 WeakPolarHBondContact O-CB 3.31Å; A972-L976 VanDerWaalsContact O-CG 3.3Å; A972-L976 WeakPolarHBondContact O-CG 3.49Å; A972-L976 PolarHBondContact O-N 3.49Å; A973-L976 PolarHBondContact O-N 2.88Å; S974-L976 PolarHBondContact O-N 3.37Å; L976-T978 VanDerWaalsContact C-N 3.34Å; L976-L979 PolarHBondContact O-N 2.73Å; L976-G980 PolarHBondContact O-N 2.91Å; L976-C981 HydrophobicContact CD2-CB 4.26Å; L976-C981 PolarHBondContact O-N 3.05Å; L976-L984 HydrophobicContact CD1-CB 3.97Å; L976-L984 HydrophobicContact CD2-CB 4.2Å; L976-L984 HydrophobicContact CD2-CD1 3.95Å; L976-V985 HydrophobicContact CB-CG2 3.91Å; L976-V985 HydrophobicContact CD1-CG2 3.78Å
977	H	97.2	Very high	97.3	Very high	91 Å²	91	22.7 Å²	22.7	42%	0.421	13%	0.126	S	C	.	.	H	α-helix	trans	-61.6	-42.9	173.3	-88.1	-79.8	0	0	0	111.7	V691 A973 S974 G980	V691-H977 HydrophobicContact CG2-CB 4.31Å; A973-H977 WeakPolarHBondContact O-CB 3.36Å; A973-H977 PolarHBondContact O-CD2 3.05Å; A973-H977 VanDerWaalsContact O-CD2 3.23Å; A973-H977 PolarHBondContact O-N 3.42Å; S974-H977 PolarHBondContact O-N 3.34Å; H977-G980 PolarHBondContact O-N 3.18Å; H977-G980 VanDerWaalsContact O-N 3.1Å
978	T	97.7	Very high	97.4	Very high	23 Å²	23	24.6 Å²	24.6	14%	0.141	14%	0.14	C	C	.	.	H	α-helix	trans	-70.6	-33	179.3	-59.4	0	0	0	0	112.5	K710 T711 S974 Q975 L976 G980 A1021 L1022	K710-T978 HydrophobicContact CB-CG2 4.27Å; K710-T978 PolarHBondContact O-OG1 3.42Å; T711-T978 WeakPolarHBondContact CB-OG1 3.5Å; T711-T978 HydrophobicContact CG2-CG2 3.87Å; S974-T978 WeakPolarHBondContact O-CB 3.45Å; S974-T978 PolarHBondContact O-N 2.96Å; S974-T978 PolarHBondContact O-OG1 2.68Å; Q975-T978 PolarHBondContact O-N 3.48Å; L976-T978 VanDerWaalsContact C-N 3.34Å; T978-G980 PolarHBondContact O-N 3.38Å; T978-A1021 HydrophobicContact CG2-CB 4.18Å; T978-L1022 HydrophobicContact CG2-CB 4.02Å; T978-L1022 HydrophobicContact CG2-CD1 4.38Å
979	L	97.4	Very high	97.5	Very high	8 Å²	8	28.3 Å²	28.3	4%	0.042	16%	0.157	C	C	.	.	H	α-helix	trans	-69.5	-23.4	171	-169.4	66.5	0	0	0	112.1	L953 Q975 L976 V1013 A1016 S1020 L1022	L953-L979 HydrophobicContact CD1-CD2 4.27Å; L953-L979 HydrophobicContact CD2-CD2 3.69Å; L953-L979 HydrophobicContact CG-CD2 4.4Å; Q975-L979 VanDerWaalsContact O-CB 3.31Å; Q975-L979 WeakPolarHBondContact O-CB 3.4Å; Q975-L979 PolarHBondContact O-N 3.34Å; L976-L979 PolarHBondContact O-N 2.73Å; L979-V1013 HydrophobicContact CD2-CG1 4.26Å; L979-V1013 HydrophobicContact CD2-CG2 4.4Å; L979-A1016 HydrophobicContact CD1-CB 3.57Å; L979-A1016 HydrophobicContact CG-CB 3.78Å; L979-A1016 WeakPolarHBondContact O-CB 3.47Å; L979-S1020 WeakPolarHBondContact CD1-OG 3.5Å; L979-L1022 HydrophobicContact CB-CD2 4.11Å; L979-L1022 HydrophobicContact CD1-CD2 4.3Å
980	G	95	Very high	97.6	Very high	35 Å²	35	35 Å²	35	36%	0.361	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	26.6	-175.9	0	0	0	0	0	114.2	L976 H977 T978 P982 K1012	L976-G980 PolarHBondContact O-N 2.91Å; H977-G980 PolarHBondContact O-N 3.18Å; H977-G980 VanDerWaalsContact O-N 3.1Å; T978-G980 PolarHBondContact O-N 3.38Å; G980-P982 WeakPolarHBondContact O-CD 3.47Å; G980-K1012 WeakPolarHBondContact O-CE 3.34Å; G980-K1012 PolarHBondContact O-NZ 2.95Å
981	C	96.3	Very high	97.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.184	C	C	.	.			trans	-120	51.8	178.6	-56.5	0	0	0	0	112.9	L976 E983 L984	L976-C981 HydrophobicContact CD2-CB 4.26Å; L976-C981 PolarHBondContact O-N 3.05Å; C981-E983 VanDerWaalsContact C-OE2 3.28Å; C981-E983 WeakPolarHBondContact CA-OE2 3.1Å; C981-E983 PolarHBondContact O-N 3.39Å; C981-L984 HydrophobicContact CB-CD1 4.09Å; C981-L984 PolarHBondContact O-N 3.33Å
982	P	95.1	Very high	97.6	Very high	56 Å²	56	33.6 Å²	33.6	36%	0.364	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-63.5	-19.9	-178	29.8	-37.9	0	0	0	113.9	G980 L984 V985	G980-P982 WeakPolarHBondContact O-CD 3.47Å; P982-L984 PolarHBondContact O-N 2.95Å; P982-L984 VanDerWaalsContact O-N 3.1Å; P982-V985 WeakPolarHBondContact O-CB 3.38Å; P982-V985 PolarHBondContact O-N 3.15Å
983	E	94.5	Very high	97.6	Very high	51 Å²	51	34.6 Å²	34.6	24%	0.238	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-65.7	-8.3	176.6	65.6	-88.9	-156	0	0	114.6	C981 M1009 K1012	C981-E983 VanDerWaalsContact C-OE2 3.28Å; C981-E983 WeakPolarHBondContact CA-OE2 3.1Å; C981-E983 PolarHBondContact O-N 3.39Å; E983-M1009 HydrophobicContact CG-CE 3.42Å; E983-M1009 VanDerWaalsContact CG-CE 3.42Å; E983-M1009 HydrophobicContact CG-SD 4.39Å; E983-M1009 VanDerWaalsContact OE1-CE 3.28Å; E983-M1009 WeakPolarHBondContact OE1-CE 3.27Å; E983-K1012 WeakPolarHBondContact OE1-CD 3.31Å; E983-K1012 WeakPolarHBondContact OE1-CE 3.5Å; E983-K1012 IonicContact OE1-NZ 2.77Å; E983-K1012 PolarHBondContact OE1-NZ 2.92Å; E983-K1012 IonicContact OE2-NZ 3.95Å; E983-K1012 PolarHBondContact OE2-NZ 3.45Å
984	L	98	Very high	97.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-95	-0.9	173	-60.8	176.9	0	0	0	113.2	P958 V959 V960 T961 L976 C981 P982 I995 L999 M1009	P958-L984 HydrophobicContact CB-CD1 3.87Å; V959-L984 VanDerWaalsContact O-CB 3.23Å; V959-L984 WeakPolarHBondContact O-CB 3.48Å; V960-L984 WeakPolarHBondContact CA-O 3.47Å; V960-L984 HydrophobicContact CG2-CD2 4.47Å; T961-L984 PolarHBondContact N-O 3.48Å; T961-L984 VanDerWaalsContact N-O 3.12Å; L976-L984 HydrophobicContact CD1-CB 3.97Å; L976-L984 HydrophobicContact CD2-CB 4.2Å; L976-L984 HydrophobicContact CD2-CD1 3.95Å; C981-L984 HydrophobicContact CB-CD1 4.09Å; C981-L984 PolarHBondContact O-N 3.33Å; P982-L984 PolarHBondContact O-N 2.95Å; P982-L984 VanDerWaalsContact O-N 3.1Å; L984-I995 HydrophobicContact CD2-CG2 4.38Å; L984-L999 HydrophobicContact CD2-CD1 3.88Å; L984-M1009 HydrophobicContact CD1-CG 4.11Å; L984-M1009 HydrophobicContact CD1-SD 3.83Å; L984-M1009 HydrophobicContact CD2-CE 4.18Å; L984-M1009 HydrophobicContact CD2-CG 3.99Å; L984-M1009 HydrophobicContact CD2-SD 4.03Å; L984-M1009 HydrophobicContact CG-CE 4.44Å; L984-M1009 HydrophobicContact CG-CG 4.42Å; L984-M1009 HydrophobicContact CG-SD 3.95Å
985	V	98.3	Very high	97.7	Very high	17 Å²	17	43 Å²	43	10%	0.103	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-93.8	110.6	176.2	-174.1	0	0	0	0	108.7	T961 P963 A973 L976 P982	T961-V985 HydrophobicContact CG2-CG1 4.46Å; T961-V985 HydrophobicContact CG2-CG2 4.3Å; P963-V985 HydrophobicContact CG-CG1 3.6Å; A973-V985 HydrophobicContact CB-CG1 3.87Å; A973-V985 HydrophobicContact CB-CG2 4.2Å; L976-V985 HydrophobicContact CB-CG2 3.91Å; L976-V985 HydrophobicContact CD1-CG2 3.78Å; P982-V985 WeakPolarHBondContact O-CB 3.38Å; P982-V985 PolarHBondContact O-N 3.15Å
986	A	98.5	Very high	97.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.			trans	-77.9	148.8	-180	0	0	0	0	0	112.2	T961 L962 P963 D991 Y992 I995	T961-A986 WeakPolarHBondContact O-CB 3.31Å; T961-A986 PolarHBondContact O-N 2.9Å; L962-A986 HydrophobicContact CB-CB 4.39Å; L962-A986 HydrophobicContact CD1-CB 4.1Å; L962-A986 WeakPolarHBondContact CD1-O 3.43Å; P963-A986 WeakPolarHBondContact CD-O 3.3Å; A986-D991 HydrophobicContact CB-CB 4.3Å; A986-Y992 VanDerWaalsContact CB-CA 3.49Å; A986-Y992 HydrophobicContact CB-CD2 4.21Å; A986-Y992 HydrophobicContact CB-CG 4.42Å; A986-I995 HydrophobicContact CB-CD1 3.99Å
987	N	96.9	Very high	97.7	Very high	144 Å²	144	44.4 Å²	44.4	77%	0.77	23%	0.231	S	C	*	.	S	Bend	trans	-99.8	-13.8	177.9	-58.2	-79.6	0	0	0	113.6	D991	N987-D991 PolarHBondContact N-OD2 2.87Å; N987-D991 PolarHBondContact ND2-OD2 3.01Å
988	S	98.3	Very high	97.7	Very high	44 Å²	44	44.6 Å²	44.6	31%	0.308	23%	0.231	S	C	.	.	S	Bend	trans	-154	173.2	177.5	82.8	0	0	0	0	110.6	E990 D991 Y992	S988-E990 VanDerWaalsContact C-N 3.32Å; S988-E990 VanDerWaalsContact CB-OE2 3.26Å; S988-E990 WeakPolarHBondContact CB-OE2 3.41Å; S988-E990 PolarHBondContact OG-N 3.34Å; S988-E990 PolarHBondContact OG-OE2 3.21Å; S988-D991 PolarHBondContact O-N 3.41Å; S988-D991 PolarHBondContact OG-N 3.08Å; S988-D991 VanDerWaalsContact OG-N 3.11Å; S988-Y992 WeakPolarHBondContact O-CB 3.33Å; S988-Y992 PolarHBondContact O-N 2.93Å
989	Q	98.3	Very high	97.8	Very high	80 Å²	80	43.5 Å²	43.5	37%	0.374	22%	0.224	S	C	.	.	H	α-helix	trans	-63	-40.7	174.5	-65.6	-168.4	43.4	0	0	111.4	S870 M874 L962 D991 Y992 V993	S870-Q989 PolarHBondContact OG-NE2 3.11Å; S870-Q989 PolarHBondContact OG-OE1 2.94Å; M874-Q989 HydrophobicContact CE-CG 4.49Å; M874-Q989 HydrophobicContact CG-CB 4.31Å; M874-Q989 HydrophobicContact SD-CB 3.6Å; M874-Q989 VanDerWaalsContact SD-CB 3.6Å; M874-Q989 HydrophobicContact SD-CG 3.71Å; L962-Q989 HydrophobicContact CD2-CG 3.94Å; Q989-D991 VanDerWaalsContact C-N 3.32Å; Q989-D991 PolarHBondContact O-N 3.47Å; Q989-Y992 WeakPolarHBondContact O-CB 3.42Å; Q989-Y992 PolarHBondContact O-N 2.93Å; Q989-V993 WeakPolarHBondContact O-CG2 3.37Å; Q989-V993 PolarHBondContact O-N 3Å
990	E	98.6	Very high	97.8	Very high	139 Å²	139	43.7 Å²	43.7	65%	0.65	23%	0.228	S	C	*	.	H	α-helix	trans	-64.3	-39.7	176.4	-56.2	73.1	-158.5	0	0	111	S988 R994	S988-E990 VanDerWaalsContact C-N 3.32Å; S988-E990 VanDerWaalsContact CB-OE2 3.26Å; S988-E990 WeakPolarHBondContact CB-OE2 3.41Å; S988-E990 PolarHBondContact OG-N 3.34Å; S988-E990 PolarHBondContact OG-OE2 3.21Å; E990-R994 VanDerWaalsContact O-CB 3.22Å; E990-R994 WeakPolarHBondContact O-CB 3.19Å; E990-R994 PolarHBondContact O-N 3.22Å
991	D	98.6	Very high	98	Very high	13 Å²	13	46.7 Å²	46.7	7%	0.07	24%	0.236	C	C	.	.	H	α-helix	trans	-66.4	-40.5	175.6	-167.2	19	0	0	0	111.8	A986 N987 S988 Q989 R994 I995	A986-D991 HydrophobicContact CB-CB 4.3Å; N987-D991 PolarHBondContact N-OD2 2.87Å; N987-D991 PolarHBondContact ND2-OD2 3.01Å; S988-D991 PolarHBondContact O-N 3.41Å; S988-D991 PolarHBondContact OG-N 3.08Å; S988-D991 VanDerWaalsContact OG-N 3.11Å; Q989-D991 VanDerWaalsContact C-N 3.32Å; Q989-D991 PolarHBondContact O-N 3.47Å; D991-R994 WeakPolarHBondContact O-CB 3.45Å; D991-R994 PolarHBondContact O-N 3.45Å; D991-R994 IonicContact OD1-CZ 2.8Å; D991-R994 IonicContact OD1-NE 3.87Å; D991-R994 PolarHBondContact OD1-NE 3.38Å; D991-R994 IonicContact OD1-NH2 2.79Å; D991-R994 PolarHBondContact OD1-NH2 3.15Å; D991-R994 IonicContact OD2-NH2 3.06Å; D991-I995 VanDerWaalsContact O-CG1 3.29Å; D991-I995 WeakPolarHBondContact O-CG1 3.12Å; D991-I995 PolarHBondContact O-N 3.46Å
992	Y	98.9	Very high	97.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.1	-50	175.9	-179.2	-82.1	0	0	0	111.3	M874 W875 I878 L938 D939 V960 L962 A986 S988 Q989 R994 I995 A996	M874-Y992 HydrophobicContact CB-CD1 4.37Å; M874-Y992 HydrophobicContact CE-CD1 4.47Å; M874-Y992 HydrophobicContact SD-CD1 3.87Å; M874-Y992 HydrophobicContact SD-CG 4.21Å; W875-Y992 PolarHBondContact NE1-OH 3.17Å; I878-Y992 HydrophobicContact CD1-CD1 4.02Å; I878-Y992 HydrophobicContact CD1-CE1 3.73Å; L938-Y992 WeakPolarHBondContact CA-OH 3.34Å; L938-Y992 WeakPolarHBondContact CB-OH 3.5Å; D939-Y992 PolarHBondContact N-OH 2.83Å; D939-Y992 VanDerWaalsContact N-OH 3.08Å; D939-Y992 PolarHBondContact O-OH 3.43Å; V960-Y992 HydrophobicContact CB-CE2 4.37Å; V960-Y992 HydrophobicContact CG1-CD2 3.73Å; V960-Y992 HydrophobicContact CG1-CE2 3.84Å; V960-Y992 HydrophobicContact CG1-CG 4.25Å; V960-Y992 WeakPolarHBondContact O-CE2 3.4Å; L962-Y992 HydrophobicContact CB-CD2 3.78Å; L962-Y992 HydrophobicContact CB-CE2 4.43Å; L962-Y992 HydrophobicContact CB-CG 4.5Å; A986-Y992 VanDerWaalsContact CB-CA 3.49Å; A986-Y992 HydrophobicContact CB-CD2 4.21Å; A986-Y992 HydrophobicContact CB-CG 4.42Å; S988-Y992 WeakPolarHBondContact O-CB 3.33Å; S988-Y992 PolarHBondContact O-N 2.93Å; Q989-Y992 WeakPolarHBondContact O-CB 3.42Å; Q989-Y992 PolarHBondContact O-N 2.93Å; Y992-R994 VanDerWaalsContact C-N 3.34Å; Y992-R994 PolarHBondContact O-N 3.19Å; Y992-I995 PolarHBondContact O-N 2.77Å; Y992-A996 WeakPolarHBondContact O-CB 3.37Å; Y992-A996 PolarHBondContact O-N 2.91Å
993	V	98.9	Very high	97.8	Very high	22 Å²	22	52.9 Å²	52.9	13%	0.133	26%	0.257	C	S	.	.	H	α-helix	trans	-60.4	-45.3	175.1	174.1	0	0	0	0	110.2	M874 E877 I878 Q989 I995 A996 T997	M874-V993 HydrophobicContact CB-CG2 3.88Å; M874-V993 HydrophobicContact CG-CG2 3.96Å; E877-V993 HydrophobicContact CB-CG1 4.32Å; E877-V993 HydrophobicContact CB-CG2 4.47Å; I878-V993 HydrophobicContact CD1-CG2 4.45Å; I878-V993 HydrophobicContact CG1-CB 4.23Å; I878-V993 HydrophobicContact CG1-CG1 3.99Å; I878-V993 HydrophobicContact CG1-CG2 4.17Å; Q989-V993 WeakPolarHBondContact O-CG2 3.37Å; Q989-V993 PolarHBondContact O-N 3Å; V993-I995 PolarHBondContact O-N 3.15Å; V993-A996 PolarHBondContact O-N 2.83Å; V993-T997 VanDerWaalsContact O-CB 3.29Å; V993-T997 WeakPolarHBondContact O-CB 3.39Å; V993-T997 PolarHBondContact O-N 3.39Å; V993-T997 PolarHBondContact O-OG1 3.32Å
994	R	98.7	Very high	97.7	Very high	166 Å²	166	56.4 Å²	56.4	63%	0.626	27%	0.273	S	S	*	.	H	α-helix	trans	-58.3	-47.8	178.3	-179.4	-172.4	72.1	160.9	5.8	112.7	E990 D991 Y992 K998	E990-R994 VanDerWaalsContact O-CB 3.22Å; E990-R994 WeakPolarHBondContact O-CB 3.19Å; E990-R994 PolarHBondContact O-N 3.22Å; D991-R994 WeakPolarHBondContact O-CB 3.45Å; D991-R994 PolarHBondContact O-N 3.45Å; D991-R994 IonicContact OD1-CZ 2.8Å; D991-R994 IonicContact OD1-NE 3.87Å; D991-R994 PolarHBondContact OD1-NE 3.38Å; D991-R994 IonicContact OD1-NH2 2.79Å; D991-R994 PolarHBondContact OD1-NH2 3.15Å; D991-R994 IonicContact OD2-NH2 3.06Å; Y992-R994 VanDerWaalsContact C-N 3.34Å; Y992-R994 PolarHBondContact O-N 3.19Å; R994-K998 VanDerWaalsContact O-CB 3.28Å; R994-K998 WeakPolarHBondContact O-CB 3.26Å; R994-K998 PolarHBondContact O-N 3.12Å
995	I	98.6	Very high	97.6	Very high	13 Å²	13	57.6 Å²	57.6	7%	0.067	28%	0.278	C	S	.	.	H	α-helix	trans	-62.7	-48.7	179.8	-68.8	165.4	0	0	0	109.8	V960 L984 A986 D991 Y992 V993 K998 L999	V960-I995 HydrophobicContact CG1-CB 4.22Å; V960-I995 HydrophobicContact CG1-CG2 3.93Å; V960-I995 HydrophobicContact CG2-CG2 3.86Å; L984-I995 HydrophobicContact CD2-CG2 4.38Å; A986-I995 HydrophobicContact CB-CD1 3.99Å; D991-I995 VanDerWaalsContact O-CG1 3.29Å; D991-I995 WeakPolarHBondContact O-CG1 3.12Å; D991-I995 PolarHBondContact O-N 3.46Å; Y992-I995 PolarHBondContact O-N 2.77Å; V993-I995 PolarHBondContact O-N 3.15Å; I995-K998 PolarHBondContact O-N 3.07Å; I995-L999 HydrophobicContact CG2-CD1 4.06Å; I995-L999 WeakPolarHBondContact O-CG 3.49Å; I995-L999 PolarHBondContact O-N 3.41Å
996	A	98.9	Very high	97.5	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-44.7	179.3	0	0	0	0	0	112.5	F858 I878 L938 Y992 V993 K998 L999 G1000	F858-A996 HydrophobicContact CE1-CB 4.43Å; I878-A996 HydrophobicContact CD1-CB 3.46Å; I878-A996 VanDerWaalsContact CD1-CB 3.46Å; I878-A996 HydrophobicContact CG1-CB 3.79Å; I878-A996 HydrophobicContact CG2-CB 4.01Å; L938-A996 HydrophobicContact CD2-CB 3.65Å; Y992-A996 WeakPolarHBondContact O-CB 3.37Å; Y992-A996 PolarHBondContact O-N 2.91Å; V993-A996 PolarHBondContact O-N 2.83Å; A996-K998 VanDerWaalsContact C-N 3.34Å; A996-K998 PolarHBondContact O-N 3.01Å; A996-L999 PolarHBondContact O-N 3.32Å; A996-G1000 PolarHBondContact O-N 2.97Å
997	T	98.8	Very high	97.3	Very high	30 Å²	30	57.8 Å²	57.8	18%	0.184	28%	0.278	C	S	.	.	H	α-helix	trans	-65	-36.9	175.7	-61.6	0	0	0	0	111.8	V882 V993 G1000 N1001	V882-T997 HydrophobicContact CG2-CG2 4.11Å; V993-T997 VanDerWaalsContact O-CB 3.29Å; V993-T997 WeakPolarHBondContact O-CB 3.39Å; V993-T997 PolarHBondContact O-N 3.39Å; V993-T997 PolarHBondContact O-OG1 3.32Å; T997-G1000 PolarHBondContact O-N 3.42Å; T997-N1001 VanDerWaalsContact CG2-ND2 3.3Å; T997-N1001 WeakPolarHBondContact CG2-ND2 3.44Å; T997-N1001 WeakPolarHBondContact O-CB 3.24Å; T997-N1001 PolarHBondContact O-N 2.95Å
998	K	98.2	Very high	97.3	Very high	96 Å²	96	51 Å²	51	42%	0.417	24%	0.241	S	C	.	.	H	α-helix	trans	-62.9	-45	173.2	-177.1	-177.4	178.5	-172	0	111.2	R994 I995 A996 G1000 N1001 N1002 Y1005	R994-K998 VanDerWaalsContact O-CB 3.28Å; R994-K998 WeakPolarHBondContact O-CB 3.26Å; R994-K998 PolarHBondContact O-N 3.12Å; I995-K998 PolarHBondContact O-N 3.07Å; A996-K998 VanDerWaalsContact C-N 3.34Å; A996-K998 PolarHBondContact O-N 3.01Å; K998-G1000 VanDerWaalsContact C-N 3.28Å; K998-G1000 PolarHBondContact O-N 3.08Å; K998-N1001 PolarHBondContact O-N 2.89Å; K998-N1002 HydrophobicContact CG-CB 4.44Å; K998-N1002 WeakPolarHBondContact O-CA 3.12Å; K998-N1002 VanDerWaalsContact O-CB 3.25Å; K998-N1002 WeakPolarHBondContact O-CB 3.38Å; K998-N1002 PolarHBondContact O-N 3.46Å; K998-Y1005 HydrophobicContact CD-CD1 4.1Å; K998-Y1005 HydrophobicContact CD-CE1 3.99Å; K998-Y1005 HydrophobicContact CD-CE2 4.43Å; K998-Y1005 HydrophobicContact CD-CG 4.39Å; K998-Y1005 HydrophobicContact CG-CD1 3.99Å; K998-Y1005 HydrophobicContact CG-CE1 4.26Å; K998-Y1005 HydrophobicContact CG-CG 4.41Å; K998-Y1005 VanDerWaalsContact NZ-CE2 3.28Å
999	L	98.3	Very high	97.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.7	-35.8	175	-73.1	161.6	0	0	0	111.9	V936 V960 L984 I995 A996 Y1005 L1006 M1009	V936-L999 HydrophobicContact CG1-CD1 3.9Å; V936-L999 HydrophobicContact CG2-CB 3.79Å; V936-L999 HydrophobicContact CG2-CD1 4.14Å; V936-L999 HydrophobicContact CG2-CG 4.4Å; V960-L999 HydrophobicContact CG2-CD1 3.52Å; L984-L999 HydrophobicContact CD2-CD1 3.88Å; I995-L999 HydrophobicContact CG2-CD1 4.06Å; I995-L999 WeakPolarHBondContact O-CG 3.49Å; I995-L999 PolarHBondContact O-N 3.41Å; A996-L999 PolarHBondContact O-N 3.32Å; L999-Y1005 HydrophobicContact CD2-CD1 3.68Å; L999-Y1005 HydrophobicContact CD2-CE1 3.62Å; L999-Y1005 HydrophobicContact CG-CD1 4.17Å; L999-Y1005 HydrophobicContact CG-CE1 3.97Å; L999-L1006 HydrophobicContact CB-CD1 4.47Å; L999-L1006 HydrophobicContact CD2-CD1 4.05Å; L999-L1006 WeakPolarHBondContact O-CB 3.36Å; L999-M1009 HydrophobicContact CD2-CB 4.03Å; L999-M1009 HydrophobicContact CD2-CG 4.15Å
1000	G	98.3	Very high	97.2	Very high	12 Å²	12	45 Å²	45	12%	0.124	21%	0.209	C	C	.	.	H	α-helix	trans	-76.1	-32.7	178.2	0	0	0	0	0	115	V856 A996 T997 K998	V856-G1000 WeakPolarHBondContact CG2-O 3.09Å; A996-G1000 PolarHBondContact O-N 2.97Å; T997-G1000 PolarHBondContact O-N 3.42Å; K998-G1000 VanDerWaalsContact C-N 3.28Å; K998-G1000 PolarHBondContact O-N 3.08Å
1001	N	98.1	Very high	97.1	Very high	97 Å²	97	38.6 Å²	38.6	52%	0.519	18%	0.179	S	C	.	.	H	α-helix	trans	-101.3	-21.4	-175.5	-71.9	-29.3	0	0	0	114.1	G881 T997 K998	G881-N1001 PolarHBondContact O-ND2 3.45Å; T997-N1001 VanDerWaalsContact CG2-ND2 3.3Å; T997-N1001 WeakPolarHBondContact CG2-ND2 3.44Å; T997-N1001 WeakPolarHBondContact O-CB 3.24Å; T997-N1001 PolarHBondContact O-N 2.95Å; K998-N1001 PolarHBondContact O-N 2.89Å
1002	N	95.8	Very high	97	Very high	67 Å²	67	38.4 Å²	38.4	36%	0.358	18%	0.178	S	C	.	.			trans	-106.9	95.9	178	-172.9	-30.2	0	0	0	110.7	K998 E1004 Y1005 L1006	K998-N1002 HydrophobicContact CG-CB 4.44Å; K998-N1002 WeakPolarHBondContact O-CA 3.12Å; K998-N1002 VanDerWaalsContact O-CB 3.25Å; K998-N1002 WeakPolarHBondContact O-CB 3.38Å; K998-N1002 PolarHBondContact O-N 3.46Å; N1002-E1004 PolarHBondContact O-N 2.82Å; N1002-E1004 PolarHBondContact OD1-N 3.17Å; N1002-Y1005 PolarHBondContact O-N 2.88Å; N1002-Y1005 WeakPolarHBondContact OD1-CB 3.33Å; N1002-Y1005 PolarHBondContact OD1-N 3.03Å; N1002-L1006 PolarHBondContact O-N 3.41Å
1003	R	91.9	Very high	96.9	Very high	120 Å²	120	38.4 Å²	38.4	45%	0.453	18%	0.178	S	C	.	.	H	α-helix	trans	-60.3	-42.1	-178.1	-173.6	173.7	178.2	166.9	3	113	R741 Y1005 L1006 Q1007	R741-R1003 PolarHBondContact O-NH2 3.07Å; R1003-Y1005 VanDerWaalsContact C-N 3.33Å; R1003-Y1005 PolarHBondContact O-N 2.95Å; R1003-L1006 PolarHBondContact O-N 2.89Å; R1003-Q1007 HydrophobicContact CG-CG 4.39Å; R1003-Q1007 WeakPolarHBondContact O-CB 3.47Å; R1003-Q1007 WeakPolarHBondContact O-CG 3.38Å; R1003-Q1007 PolarHBondContact O-N 3.4Å
1004	E	92.5	Very high	96.8	Very high	124 Å²	124	38.5 Å²	38.5	58%	0.579	18%	0.176	S	C	*	.	H	α-helix	trans	-65	-40.1	-179.9	-67.1	179.8	174.1	0	0	111.5	N1002 Q1007 A1008	N1002-E1004 PolarHBondContact O-N 2.82Å; N1002-E1004 PolarHBondContact OD1-N 3.17Å; E1004-Q1007 PolarHBondContact O-N 3.47Å; E1004-A1008 WeakPolarHBondContact O-CB 3.4Å; E1004-A1008 PolarHBondContact O-N 3.29Å
1005	Y	95.4	Very high	96.6	Very high	26 Å²	26	37.2 Å²	37.2	10%	0.102	18%	0.175	C	C	.	.	H	α-helix	trans	-63.9	-44.6	174.7	-174.4	-100.3	0	0	0	111.8	L772 K998 L999 N1002 R1003 A1008 M1009	L772-Y1005 HydrophobicContact CD2-CD2 3.35Å; L772-Y1005 HydrophobicContact CD2-CE2 3.37Å; L772-Y1005 HydrophobicContact CD2-CG 4.2Å; K998-Y1005 HydrophobicContact CD-CD1 4.1Å; K998-Y1005 HydrophobicContact CD-CE1 3.99Å; K998-Y1005 HydrophobicContact CD-CE2 4.43Å; K998-Y1005 HydrophobicContact CD-CG 4.39Å; K998-Y1005 HydrophobicContact CG-CD1 3.99Å; K998-Y1005 HydrophobicContact CG-CE1 4.26Å; K998-Y1005 HydrophobicContact CG-CG 4.41Å; K998-Y1005 VanDerWaalsContact NZ-CE2 3.28Å; L999-Y1005 HydrophobicContact CD2-CD1 3.68Å; L999-Y1005 HydrophobicContact CD2-CE1 3.62Å; L999-Y1005 HydrophobicContact CG-CD1 4.17Å; L999-Y1005 HydrophobicContact CG-CE1 3.97Å; N1002-Y1005 PolarHBondContact O-N 2.88Å; N1002-Y1005 WeakPolarHBondContact OD1-CB 3.33Å; N1002-Y1005 PolarHBondContact OD1-N 3.03Å; R1003-Y1005 VanDerWaalsContact C-N 3.33Å; R1003-Y1005 PolarHBondContact O-N 2.95Å; Y1005-A1008 PolarHBondContact O-N 3.27Å; Y1005-M1009 HydrophobicContact CE1-CE 4.37Å; Y1005-M1009 WeakPolarHBondContact O-CB 3.32Å; Y1005-M1009 PolarHBondContact O-N 3.25Å
1006	L	96.3	Very high	96.5	Very high	13 Å²	13	37.2 Å²	37.2	7%	0.068	18%	0.176	C	C	.	.	H	α-helix	trans	-59.5	-47.2	174.8	178.2	60.7	0	0	0	111.8	D935 V936 L999 N1002 R1003 A1008 M1009 R1010	D935-L1006 HydrophobicContact CB-CD2 4.15Å; V936-L1006 HydrophobicContact CG2-CD1 3.66Å; L999-L1006 HydrophobicContact CB-CD1 4.47Å; L999-L1006 HydrophobicContact CD2-CD1 4.05Å; L999-L1006 WeakPolarHBondContact O-CB 3.36Å; N1002-L1006 PolarHBondContact O-N 3.41Å; R1003-L1006 PolarHBondContact O-N 2.89Å; L1006-A1008 VanDerWaalsContact C-N 3.34Å; L1006-A1008 PolarHBondContact O-N 2.92Å; L1006-M1009 PolarHBondContact O-N 3.29Å; L1006-R1010 HydrophobicContact CD1-CG 4.03Å; L1006-R1010 HydrophobicContact CG-CG 4.42Å; L1006-R1010 WeakPolarHBondContact O-CB 3.29Å; L1006-R1010 VanDerWaalsContact O-CG 3.32Å; L1006-R1010 WeakPolarHBondContact O-CG 3.3Å; L1006-R1010 PolarHBondContact O-N 3.29Å
1007	Q	95.6	Very high	96.3	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.037	18%	0.177	C	C	.	.	H	α-helix	trans	-59.7	-45.6	178.5	-70.8	-177.2	-20.6	0	0	111.5	Y768 R1003 E1004 M1009 R1010 A1011	Y768-Q1007 HydrophobicContact CE1-CB 4.19Å; Y768-Q1007 HydrophobicContact CE1-CG 4.33Å; Y768-Q1007 HydrophobicContact CE2-CB 4.24Å; Y768-Q1007 HydrophobicContact CE2-CG 3.66Å; R1003-Q1007 HydrophobicContact CG-CG 4.39Å; R1003-Q1007 WeakPolarHBondContact O-CB 3.47Å; R1003-Q1007 WeakPolarHBondContact O-CG 3.38Å; R1003-Q1007 PolarHBondContact O-N 3.4Å; E1004-Q1007 PolarHBondContact O-N 3.47Å; Q1007-M1009 VanDerWaalsContact C-N 3.35Å; Q1007-M1009 PolarHBondContact O-N 3.42Å; Q1007-R1010 PolarHBondContact O-N 3.19Å; Q1007-A1011 WeakPolarHBondContact O-CB 3.35Å; Q1007-A1011 PolarHBondContact O-N 3.41Å
1008	A	96.3	Very high	96	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.2	-42.3	176.9	0	0	0	0	0	111.9	G770 L772 E1004 Y1005 L1006 A1011 K1012	G770-A1008 VanDerWaalsContact C-CB 3.44Å; L772-A1008 HydrophobicContact CD1-CB 4.36Å; L772-A1008 HydrophobicContact CD2-CB 3.58Å; L772-A1008 HydrophobicContact CG-CB 3.71Å; E1004-A1008 WeakPolarHBondContact O-CB 3.4Å; E1004-A1008 PolarHBondContact O-N 3.29Å; Y1005-A1008 PolarHBondContact O-N 3.27Å; L1006-A1008 VanDerWaalsContact C-N 3.34Å; L1006-A1008 PolarHBondContact O-N 2.92Å; A1008-A1011 PolarHBondContact O-N 2.89Å; A1008-K1012 WeakPolarHBondContact O-CB 3.43Å; A1008-K1012 PolarHBondContact O-N 2.88Å
1009	M	97.4	Very high	95.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.8	-45.8	178.2	-167.9	54.4	60.8	0	0	112.5	L772 P958 E983 L984 L999 Y1005 L1006 Q1007 A1011 K1012 V1013	L772-M1009 HydrophobicContact CD1-CE 3.68Å; L772-M1009 HydrophobicContact CD1-SD 4.45Å; L772-M1009 HydrophobicContact CD2-CE 4.18Å; P958-M1009 HydrophobicContact CB-CG 3.86Å; P958-M1009 HydrophobicContact CG-CB 4.29Å; P958-M1009 HydrophobicContact CG-CG 3.75Å; E983-M1009 HydrophobicContact CG-CE 3.42Å; E983-M1009 VanDerWaalsContact CG-CE 3.42Å; E983-M1009 HydrophobicContact CG-SD 4.39Å; E983-M1009 VanDerWaalsContact OE1-CE 3.28Å; E983-M1009 WeakPolarHBondContact OE1-CE 3.27Å; L984-M1009 HydrophobicContact CD1-CG 4.11Å; L984-M1009 HydrophobicContact CD1-SD 3.83Å; L984-M1009 HydrophobicContact CD2-CE 4.18Å; L984-M1009 HydrophobicContact CD2-CG 3.99Å; L984-M1009 HydrophobicContact CD2-SD 4.03Å; L984-M1009 HydrophobicContact CG-CE 4.44Å; L984-M1009 HydrophobicContact CG-CG 4.42Å; L984-M1009 HydrophobicContact CG-SD 3.95Å; L999-M1009 HydrophobicContact CD2-CB 4.03Å; L999-M1009 HydrophobicContact CD2-CG 4.15Å; Y1005-M1009 HydrophobicContact CE1-CE 4.37Å; Y1005-M1009 WeakPolarHBondContact O-CB 3.32Å; Y1005-M1009 PolarHBondContact O-N 3.25Å; L1006-M1009 PolarHBondContact O-N 3.29Å; Q1007-M1009 VanDerWaalsContact C-N 3.35Å; Q1007-M1009 PolarHBondContact O-N 3.42Å; M1009-A1011 VanDerWaalsContact C-N 3.33Å; M1009-A1011 PolarHBondContact O-N 3.19Å; M1009-K1012 WeakPolarHBondContact O-CB 3.44Å; M1009-K1012 PolarHBondContact O-N 3.26Å; M1009-K1012 HydrophobicContact SD-CD 4.44Å; M1009-V1013 WeakPolarHBondContact O-CG2 3.42Å; M1009-V1013 PolarHBondContact O-N 3.24Å
1010	R	97.4	Very high	95.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61	-42.6	175.7	-70.1	-178.4	63.6	76.7	4.7	111.3	D744 Y768 Q932 A934 D935 P958 L1006 Q1007 K1012 V1013 W1014	D744-R1010 IonicContact OD1-CZ 3.81Å; D744-R1010 IonicContact OD1-NE 2.75Å; D744-R1010 PolarHBondContact OD1-NE 3.15Å; D744-R1010 IonicContact OD1-NH2 2.61Å; D744-R1010 PolarHBondContact OD1-NH2 3.22Å; D744-R1010 IonicContact OD2-CZ 2.88Å; D744-R1010 IonicContact OD2-NE 3.93Å; D744-R1010 PolarHBondContact OD2-NE 2.91Å; D744-R1010 IonicContact OD2-NH2 3.96Å; D744-R1010 PolarHBondContact OD2-NH2 3.17Å; Y768-R1010 HydrophobicContact CE1-CB 4.37Å; Q932-R1010 PolarHBondContact O-NH2 3.13Å; A934-R1010 PolarHBondContact O-NH1 3.23Å; D935-R1010 PolarHBondContact O-NH1 3.2Å; P958-R1010 HydrophobicContact CG-CG 3.78Å; L1006-R1010 HydrophobicContact CD1-CG 4.03Å; L1006-R1010 HydrophobicContact CG-CG 4.42Å; L1006-R1010 WeakPolarHBondContact O-CB 3.29Å; L1006-R1010 VanDerWaalsContact O-CG 3.32Å; L1006-R1010 WeakPolarHBondContact O-CG 3.3Å; L1006-R1010 PolarHBondContact O-N 3.29Å; Q1007-R1010 PolarHBondContact O-N 3.19Å; R1010-K1012 VanDerWaalsContact C-N 3.34Å; R1010-K1012 PolarHBondContact O-N 3.47Å; R1010-V1013 PolarHBondContact O-N 3.46Å; R1010-W1014 WeakPolarHBondContact O-CB 3.28Å; R1010-W1014 PolarHBondContact O-N 3.06Å
1011	A	96.2	Very high	95.6	Very high	3 Å²	3	40.9 Å²	40.9	3%	0.025	21%	0.206	C	C	.	.	H	α-helix	trans	-62.6	-39.8	174.7	0	0	0	0	0	112.3	T787 Q1007 A1008 M1009 K1015	T787-A1011 HydrophobicContact CG2-CB 4.22Å; Q1007-A1011 WeakPolarHBondContact O-CB 3.35Å; Q1007-A1011 PolarHBondContact O-N 3.41Å; A1008-A1011 PolarHBondContact O-N 2.89Å; M1009-A1011 VanDerWaalsContact C-N 3.33Å; M1009-A1011 PolarHBondContact O-N 3.19Å; A1011-K1015 PolarHBondContact O-N 2.94Å; A1011-K1015 VanDerWaalsContact O-N 3.1Å
1012	K	96.7	Very high	95.6	Very high	9 Å²	9	36.3 Å²	36.3	4%	0.039	18%	0.181	C	C	.	.	H	α-helix	trans	-61.3	-53.7	175.1	-176.6	173.5	179.6	176.5	0	111.3	L772 E774 Y785 G980 E983 A1008 M1009 R1010 W1014 K1015 A1016	L772-K1012 HydrophobicContact CD1-CB 4.49Å; L772-K1012 HydrophobicContact CD1-CD 3.85Å; E774-K1012 IonicContact OE1-NZ 3.17Å; E774-K1012 PolarHBondContact OE1-NZ 2.91Å; Y785-K1012 HydrophobicContact CD1-CB 3.66Å; Y785-K1012 HydrophobicContact CD1-CD 4.17Å; Y785-K1012 HydrophobicContact CD1-CG 3.7Å; Y785-K1012 HydrophobicContact CD2-CB 4.3Å; Y785-K1012 HydrophobicContact CD2-CD 4.18Å; Y785-K1012 HydrophobicContact CD2-CG 4.49Å; Y785-K1012 HydrophobicContact CE1-CB 4.12Å; Y785-K1012 HydrophobicContact CE1-CD 3.79Å; Y785-K1012 HydrophobicContact CE1-CG 3.6Å; Y785-K1012 HydrophobicContact CE2-CD 3.79Å; Y785-K1012 HydrophobicContact CE2-CG 4.39Å; Y785-K1012 HydrophobicContact CG-CB 3.77Å; Y785-K1012 HydrophobicContact CG-CD 4.35Å; Y785-K1012 HydrophobicContact CG-CG 4.15Å; G980-K1012 WeakPolarHBondContact O-CE 3.34Å; G980-K1012 PolarHBondContact O-NZ 2.95Å; E983-K1012 WeakPolarHBondContact OE1-CD 3.31Å; E983-K1012 WeakPolarHBondContact OE1-CE 3.5Å; E983-K1012 IonicContact OE1-NZ 2.77Å; E983-K1012 PolarHBondContact OE1-NZ 2.92Å; E983-K1012 IonicContact OE2-NZ 3.95Å; E983-K1012 PolarHBondContact OE2-NZ 3.45Å; A1008-K1012 WeakPolarHBondContact O-CB 3.43Å; A1008-K1012 PolarHBondContact O-N 2.88Å; M1009-K1012 WeakPolarHBondContact O-CB 3.44Å; M1009-K1012 PolarHBondContact O-N 3.26Å; M1009-K1012 HydrophobicContact SD-CD 4.44Å; R1010-K1012 VanDerWaalsContact C-N 3.34Å; R1010-K1012 PolarHBondContact O-N 3.47Å; K1012-W1014 PolarHBondContact O-N 3.03Å; K1012-K1015 PolarHBondContact O-N 3.21Å; K1012-A1016 WeakPolarHBondContact O-CB 3.42Å; K1012-A1016 PolarHBondContact O-N 2.79Å
1013	V	97.6	Very high	95.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.4	-45.8	178	173.3	0	0	0	0	111.1	L953 P958 L979 M1009 R1010 K1015 A1016 R1017	L953-V1013 HydrophobicContact CD2-CG1 4.13Å; P958-V1013 HydrophobicContact CB-CG2 4.31Å; P958-V1013 HydrophobicContact CG-CG2 4.15Å; L979-V1013 HydrophobicContact CD2-CG1 4.26Å; L979-V1013 HydrophobicContact CD2-CG2 4.4Å; M1009-V1013 WeakPolarHBondContact O-CG2 3.42Å; M1009-V1013 PolarHBondContact O-N 3.24Å; R1010-V1013 PolarHBondContact O-N 3.46Å; V1013-K1015 VanDerWaalsContact C-N 3.33Å; V1013-K1015 PolarHBondContact O-N 2.96Å; V1013-A1016 PolarHBondContact O-N 3.33Å; V1013-R1017 PolarHBondContact O-N 3.32Å
1014	W	95.8	Very high	95.9	Very high	24 Å²	24	29 Å²	29	9%	0.091	15%	0.154	C	C	.	.	H	α-helix	trans	-55.9	-44.3	178.5	-176.2	-91.3	0	0	0	112.4	L724 R727 R1010 K1012 R1017	L724-W1014 WeakPolarHBondContact O-CH2 3.37Å; R727-W1014 HydrophobicContact CG-CH2 3.98Å; R727-W1014 HydrophobicContact CG-CZ2 3.93Å; R727-W1014 VanDerWaalsContact NE-CZ2 3.29Å; R727-W1014 VanDerWaalsContact NH1-CE3 3.27Å; R727-W1014 VanDerWaalsContact NH2-CE3 3.28Å; R1010-W1014 WeakPolarHBondContact O-CB 3.28Å; R1010-W1014 PolarHBondContact O-N 3.06Å; K1012-W1014 PolarHBondContact O-N 3.03Å; W1014-R1017 VanDerWaalsContact CE2-NH2 3.34Å; W1014-R1017 VanDerWaalsContact CH2-NH2 3.29Å; W1014-R1017 WeakPolarHBondContact O-CG 3.19Å; W1014-R1017 PolarHBondContact O-NH1 2.9Å
1015	K	95.1	Very high	96.2	Very high	140 Å²	140	23.1 Å²	23.1	61%	0.609	13%	0.126	S	C	*	.	H	α-helix	trans	-75.1	-38.5	177.8	-173.6	177.9	179.6	179.9	0	112.4	A1011 K1012 V1013 S1019	A1011-K1015 PolarHBondContact O-N 2.94Å; A1011-K1015 VanDerWaalsContact O-N 3.1Å; K1012-K1015 PolarHBondContact O-N 3.21Å; V1013-K1015 VanDerWaalsContact C-N 3.33Å; V1013-K1015 PolarHBondContact O-N 2.96Å; K1015-S1019 PolarHBondContact O-OG 3.21Å
1016	A	95.8	Very high	96.2	Very high	12 Å²	12	30.3 Å²	30.3	10%	0.099	15%	0.153	C	C	.	.	H	α-helix	trans	-69.5	-31.5	-175.1	0	0	0	0	0	112.9	L979 K1012 V1013 E1018 S1019 S1020	L979-A1016 HydrophobicContact CD1-CB 3.57Å; L979-A1016 HydrophobicContact CG-CB 3.78Å; L979-A1016 WeakPolarHBondContact O-CB 3.47Å; K1012-A1016 WeakPolarHBondContact O-CB 3.42Å; K1012-A1016 PolarHBondContact O-N 2.79Å; V1013-A1016 PolarHBondContact O-N 3.33Å; A1016-E1018 PolarHBondContact O-N 3.31Å; A1016-E1018 VanDerWaalsContact O-N 3.14Å; A1016-S1019 PolarHBondContact O-N 2.85Å; A1016-S1020 WeakPolarHBondContact O-CB 3.41Å; A1016-S1020 PolarHBondContact O-N 3.07Å; A1016-S1020 PolarHBondContact O-OG 3.38Å
1017	R	95.4	Very high	96.2	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	16%	0.163	C	C	.	.	H	α-helix	trans	-58.4	-32.2	-179.6	81.4	170.2	-176.3	-93.7	-11.9	112.9	W954 V1013 W1014 F1023	W954-R1017 HydrophobicContact CE3-CB 4.01Å; W954-R1017 HydrophobicContact CE3-CG 3.97Å; W954-R1017 HydrophobicContact CH2-CG 4.5Å; W954-R1017 HydrophobicContact CZ3-CB 4.15Å; W954-R1017 HydrophobicContact CZ3-CG 3.85Å; W954-R1017 WeakPolarHBondContact O-CD 3.34Å; V1013-R1017 PolarHBondContact O-N 3.32Å; W1014-R1017 VanDerWaalsContact CE2-NH2 3.34Å; W1014-R1017 VanDerWaalsContact CH2-NH2 3.29Å; W1014-R1017 WeakPolarHBondContact O-CG 3.19Å; W1014-R1017 PolarHBondContact O-NH1 2.9Å; R1017-F1023 HydrophobicContact CB-CD2 4.14Å; R1017-F1023 HydrophobicContact CB-CE2 4Å; R1017-F1023 WeakPolarHBondContact O-CD2 3.46Å
1018	E	92.9	Very high	96.3	Very high	82 Å²	82	31.5 Å²	31.5	38%	0.383	16%	0.163	S	C	.	.	H	α-helix	trans	-91.5	-22.1	-176.2	-61.8	-168	-177.8	0	0	113.1	R725 W954 A1016	R725-E1018 WeakPolarHBondContact CB-OE1 3.4Å; R725-E1018 WeakPolarHBondContact CG-OE1 3.49Å; W954-E1018 HydrophobicContact CH2-CG 4.43Å; A1016-E1018 PolarHBondContact O-N 3.31Å; A1016-E1018 VanDerWaalsContact O-N 3.14Å
1019	S	94	Very high	96.4	Very high	93 Å²	93	31.6 Å²	31.6	65%	0.65	16%	0.163	S	C	*	.	H	α-helix	trans	-106.6	-19	-174.3	52.1	0	0	0	0	113.8	K1015 A1016	K1015-S1019 PolarHBondContact O-OG 3.21Å; A1016-S1019 PolarHBondContact O-N 2.85Å
1020	S	96	Very high	96.4	Very high	17 Å²	17	34.1 Å²	34.1	12%	0.119	18%	0.184	C	C	.	.	S	Bend	trans	-78.3	161.6	179.2	70.3	0	0	0	0	112.5	L979 A1016 L1022	L979-S1020 WeakPolarHBondContact CD1-OG 3.5Å; A1016-S1020 WeakPolarHBondContact O-CB 3.41Å; A1016-S1020 PolarHBondContact O-N 3.07Å; A1016-S1020 PolarHBondContact O-OG 3.38Å; S1020-L1022 PolarHBondContact O-N 3.03Å; S1020-L1022 PolarHBondContact OG-N 3.29Å
1021	A	95.7	Very high	96.4	Very high	23 Å²	23	35.7 Å²	35.7	19%	0.19	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-72.8	-12.6	174	0	0	0	0	0	113.4	K710 T978 F1023 S1024	K710-A1021 HydrophobicContact CD-CB 3.37Å; T978-A1021 HydrophobicContact CG2-CB 4.18Å; A1021-F1023 PolarHBondContact O-N 2.9Å; A1021-S1024 PolarHBondContact O-N 3.16Å; A1021-S1024 VanDerWaalsContact O-N 3.16Å
1022	L	97.5	Very high	96.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-61	-31.1	-172.9	-174.5	61.3	0	0	0	113	T711 I714 G715 M950 L953 Q975 T978 L979 S1020	T711-L1022 HydrophobicContact CG2-CD1 4.17Å; I714-L1022 WeakPolarHBondContact CD1-O 3.21Å; G715-L1022 PolarHBondContact N-O 3.47Å; M950-L1022 HydrophobicContact CE-CD1 3.64Å; M950-L1022 HydrophobicContact CE-CD2 4.3Å; M950-L1022 HydrophobicContact CE-CG 3.61Å; M950-L1022 WeakPolarHBondContact CE-O 3.47Å; M950-L1022 HydrophobicContact SD-CD1 3.73Å; M950-L1022 HydrophobicContact SD-CD2 3.98Å; M950-L1022 HydrophobicContact SD-CG 3.87Å; L953-L1022 HydrophobicContact CD1-CD2 4.01Å; Q975-L1022 HydrophobicContact CB-CD1 4.14Å; Q975-L1022 HydrophobicContact CB-CD2 4.15Å; Q975-L1022 HydrophobicContact CG-CD1 4.16Å; T978-L1022 HydrophobicContact CG2-CB 4.02Å; T978-L1022 HydrophobicContact CG2-CD1 4.38Å; L979-L1022 HydrophobicContact CB-CD2 4.11Å; L979-L1022 HydrophobicContact CD1-CD2 4.3Å; S1020-L1022 PolarHBondContact O-N 3.03Å; S1020-L1022 PolarHBondContact OG-N 3.29Å
1023	F	97.8	Very high	96.6	Very high	1 Å²	1	36 Å²	36	0%	0.004	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-115.9	17.5	179.5	-59.4	-77.9	0	0	0	113.1	G715 H717 Q718 M950 L953 W954 R1017 A1021	G715-F1023 VanDerWaalsContact O-CA 3.32Å; G715-F1023 WeakPolarHBondContact O-CA 3.27Å; H717-F1023 HydrophobicContact CB-CD1 3.73Å; H717-F1023 HydrophobicContact CB-CE1 3.87Å; H717-F1023 AromaticContact CG-CD1 3.98Å; H717-F1023 AromaticContact CG-CE1 3.73Å; H717-F1023 AromaticContact ND1-CD1 3.88Å; H717-F1023 AromaticContact ND1-CE1 3.68Å; Q718-F1023 HydrophobicContact CB-CB 4.15Å; Q718-F1023 PolarHBondContact OE1-O 2.86Å; M950-F1023 HydrophobicContact CB-CE1 4.17Å; M950-F1023 HydrophobicContact CE-CD1 3.98Å; M950-F1023 HydrophobicContact CE-CE1 3.66Å; M950-F1023 HydrophobicContact CE-CZ 4.17Å; M950-F1023 HydrophobicContact SD-CE1 4.39Å; M950-F1023 HydrophobicContact SD-CZ 4.47Å; L953-F1023 HydrophobicContact CB-CE2 4.46Å; L953-F1023 HydrophobicContact CB-CZ 4.11Å; W954-F1023 HydrophobicContact CB-CE1 4.03Å; W954-F1023 HydrophobicContact CB-CZ 3.99Å; W954-F1023 HydrophobicContact CE3-CB 4.26Å; W954-F1023 AromaticContact CE3-CD1 3.94Å; W954-F1023 HydrophobicContact CE3-CD1 3.94Å; W954-F1023 AromaticContact CE3-CD2 3.87Å; W954-F1023 HydrophobicContact CE3-CD2 3.87Å; W954-F1023 HydrophobicContact CE3-CE1 4.18Å; W954-F1023 HydrophobicContact CE3-CE2 4.13Å; W954-F1023 AromaticContact CE3-CG 3.76Å; W954-F1023 HydrophobicContact CE3-CG 3.76Å; W954-F1023 HydrophobicContact CE3-CZ 4.28Å; W954-F1023 HydrophobicContact CZ3-CB 4.12Å; W954-F1023 HydrophobicContact CZ3-CD2 4.26Å; W954-F1023 HydrophobicContact CZ3-CG 4.1Å; R1017-F1023 HydrophobicContact CB-CD2 4.14Å; R1017-F1023 HydrophobicContact CB-CE2 4Å; R1017-F1023 WeakPolarHBondContact O-CD2 3.46Å; A1021-F1023 PolarHBondContact O-N 2.9Å
1024	S	96.9	Very high	96.6	Very high	33 Å²	33	37.8 Å²	37.8	23%	0.231	21%	0.209	C	C	.	.			trans	-102.9	81.2	-177.3	-170.1	0	0	0	0	111.3	A1021 R1026 S1027 Y1028	A1021-S1024 PolarHBondContact O-N 3.16Å; A1021-S1024 VanDerWaalsContact O-N 3.16Å; S1024-R1026 PolarHBondContact O-N 3.02Å; S1024-R1026 VanDerWaalsContact O-N 3.16Å; S1024-S1027 PolarHBondContact O-N 3.41Å; S1024-S1027 VanDerWaalsContact O-N 3.16Å; S1024-Y1028 WeakPolarHBondContact O-CB 3.48Å; S1024-Y1028 PolarHBondContact O-N 3.2Å
1025	C	97.4	Very high	96.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-54.6	-35.3	178.5	-67.4	0	0	0	0	112.5	I586 L589 D716 Y1028 T1029	I586-C1025 HydrophobicContact CG1-CB 4.42Å; L589-C1025 HydrophobicContact CD1-CB 3.51Å; D716-C1025 PolarHBondContact OD1-SG 2.93Å; C1025-Y1028 PolarHBondContact O-N 3.41Å; C1025-T1029 WeakPolarHBondContact O-CB 3.44Å; C1025-T1029 PolarHBondContact O-N 3.08Å; C1025-T1029 PolarHBondContact O-OG1 3.39Å
1026	R	96.4	Very high	96.9	Very high	177 Å²	177	30 Å²	30	67%	0.668	18%	0.175	S	C	*	.	H	α-helix	trans	-65.1	-48.5	177.7	-175.8	176.9	-65.7	-80.4	-2	112.6	S1024 Y1028 T1029 A1030	S1024-R1026 PolarHBondContact O-N 3.02Å; S1024-R1026 VanDerWaalsContact O-N 3.16Å; R1026-Y1028 VanDerWaalsContact C-N 3.3Å; R1026-T1029 PolarHBondContact O-N 3.39Å; R1026-A1030 PolarHBondContact O-N 2.81Å
1027	S	95.9	Very high	97	Very high	39 Å²	39	32.3 Å²	32.3	27%	0.273	18%	0.183	S	C	.	.	H	α-helix	trans	-65.1	-39.9	176.4	178.8	0	0	0	0	110.8	K710 S1024 T1029 A1030 D1031	K710-S1027 PolarHBondContact NZ-OG 3.45Å; S1024-S1027 PolarHBondContact O-N 3.41Å; S1024-S1027 VanDerWaalsContact O-N 3.16Å; S1027-T1029 VanDerWaalsContact C-N 3.34Å; S1027-A1030 PolarHBondContact O-N 3.48Å; S1027-D1031 VanDerWaalsContact O-CG 3.28Å; S1027-D1031 PolarHBondContact O-N 3.33Å; S1027-D1031 VanDerWaalsContact O-N 3.11Å
1028	Y	98	Very high	97	Very high	8 Å²	8	34.8 Å²	34.8	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-63	-41.5	179.1	-175.1	-80.8	0	0	0	111.8	I586 W671 M708 T711 F712 I714 S1024 C1025 R1026 A1030 D1031 I1032	I586-Y1028 HydrophobicContact CD1-CD1 3.52Å; I586-Y1028 HydrophobicContact CD1-CE1 3.72Å; I586-Y1028 HydrophobicContact CD1-CG 4.49Å; W671-Y1028 AromaticContact CZ2-CE1 3.69Å; W671-Y1028 HydrophobicContact CZ2-CE1 3.69Å; W671-Y1028 WeakPolarHBondContact CZ2-OH 3.28Å; W671-Y1028 PolarHBondContact NE1-OH 3.29Å; M708-Y1028 HydrophobicContact CE-CD1 4.19Å; M708-Y1028 HydrophobicContact CE-CD2 3.86Å; M708-Y1028 HydrophobicContact CE-CE1 3.94Å; M708-Y1028 HydrophobicContact CE-CE2 3.65Å; M708-Y1028 HydrophobicContact CE-CG 4.15Å; T711-Y1028 VanDerWaalsContact O-CE2 3.3Å; T711-Y1028 WeakPolarHBondContact O-CE2 3.21Å; F712-Y1028 PolarHBondContact O-OH 3.13Å; I714-Y1028 HydrophobicContact CB-CD1 4.2Å; I714-Y1028 HydrophobicContact CB-CD2 3.63Å; I714-Y1028 HydrophobicContact CB-CE1 4.26Å; I714-Y1028 HydrophobicContact CB-CE2 3.64Å; I714-Y1028 HydrophobicContact CB-CG 3.89Å; I714-Y1028 HydrophobicContact CD1-CD2 3.81Å; I714-Y1028 HydrophobicContact CD1-CG 3.83Å; I714-Y1028 HydrophobicContact CG1-CD1 4.19Å; I714-Y1028 HydrophobicContact CG1-CD2 3.89Å; I714-Y1028 HydrophobicContact CG1-CE2 4.4Å; I714-Y1028 HydrophobicContact CG1-CG 3.74Å; I714-Y1028 HydrophobicContact CG2-CD1 4.37Å; I714-Y1028 HydrophobicContact CG2-CE1 4.13Å; I714-Y1028 HydrophobicContact CG2-CE2 4.22Å; S1024-Y1028 WeakPolarHBondContact O-CB 3.48Å; S1024-Y1028 PolarHBondContact O-N 3.2Å; C1025-Y1028 PolarHBondContact O-N 3.41Å; R1026-Y1028 VanDerWaalsContact C-N 3.3Å; Y1028-A1030 PolarHBondContact O-N 2.89Å; Y1028-D1031 PolarHBondContact O-N 3.35Å; Y1028-D1031 VanDerWaalsContact O-N 3.16Å; Y1028-I1032 HydrophobicContact CE1-CB 4.26Å; Y1028-I1032 HydrophobicContact CE1-CD1 3.94Å; Y1028-I1032 HydrophobicContact CE1-CG2 4.48Å; Y1028-I1032 PolarHBondContact O-N 3.32Å
1029	T	98.5	Very high	97.3	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-64.5	-41.2	179.9	-54.4	0	0	0	0	111.3	I586 L589 H590 C1025 R1026 S1027 D1031 I1032 E1033	I586-T1029 HydrophobicContact CG2-CG2 4.46Å; L589-T1029 HydrophobicContact CB-CG2 4.03Å; H590-T1029 HydrophobicContact CB-CG2 4.37Å; H590-T1029 WeakPolarHBondContact ND1-CG2 3.49Å; C1025-T1029 WeakPolarHBondContact O-CB 3.44Å; C1025-T1029 PolarHBondContact O-N 3.08Å; C1025-T1029 PolarHBondContact O-OG1 3.39Å; R1026-T1029 PolarHBondContact O-N 3.39Å; S1027-T1029 VanDerWaalsContact C-N 3.34Å; T1029-D1031 VanDerWaalsContact C-N 3.33Å; T1029-D1031 PolarHBondContact O-N 2.89Å; T1029-I1032 WeakPolarHBondContact O-CG2 3.42Å; T1029-I1032 PolarHBondContact O-N 3.07Å; T1029-E1033 WeakPolarHBondContact O-CB 3.47Å; T1029-E1033 VanDerWaalsContact O-CG 3.22Å; T1029-E1033 WeakPolarHBondContact O-CG 3.3Å; T1029-E1033 PolarHBondContact O-N 3.08Å
1030	A	97.8	Very high	97.4	Very high	53 Å²	53	26.9 Å²	26.9	44%	0.438	15%	0.145	S	C	.	.	H	α-helix	trans	-63.5	-38.6	173.2	0	0	0	0	0	112.5	R1026 S1027 Y1028 A1034	R1026-A1030 PolarHBondContact O-N 2.81Å; S1027-A1030 PolarHBondContact O-N 3.48Å; Y1028-A1030 PolarHBondContact O-N 2.89Å; A1030-A1034 PolarHBondContact O-N 3.09Å
1031	D	97.5	Very high	97.4	Very high	34 Å²	34	31.6 Å²	31.6	18%	0.182	17%	0.165	C	C	.	.	H	α-helix	trans	-67.3	-42.1	177.8	-69.6	-23.8	0	0	0	111.3	M708 P709 K710 S1027 Y1028 T1029 A1034 L1035 W1054	M708-D1031 HydrophobicContact CE-CB 3.76Å; P709-D1031 HydrophobicContact CG-CB 3.79Å; K710-D1031 IonicContact NZ-OD1 3.96Å; K710-D1031 IonicContact NZ-OD2 3.09Å; K710-D1031 PolarHBondContact NZ-OD2 3.11Å; S1027-D1031 VanDerWaalsContact O-CG 3.28Å; S1027-D1031 PolarHBondContact O-N 3.33Å; S1027-D1031 VanDerWaalsContact O-N 3.11Å; Y1028-D1031 PolarHBondContact O-N 3.35Å; Y1028-D1031 VanDerWaalsContact O-N 3.16Å; T1029-D1031 VanDerWaalsContact C-N 3.33Å; T1029-D1031 PolarHBondContact O-N 2.89Å; D1031-A1034 PolarHBondContact O-N 3.01Å; D1031-L1035 PolarHBondContact O-N 3.39Å; D1031-L1035 VanDerWaalsContact O-N 3.14Å; D1031-W1054 WeakPolarHBondContact O-CH2 3.47Å
1032	I	98.2	Very high	97.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-73.9	-31.5	-179.1	-155.8	170.3	0	0	0	112.1	W671 I687 M708 Y1028 T1029 L1035 Y1036	W671-I1032 HydrophobicContact CD2-CD1 4.25Å; W671-I1032 HydrophobicContact CZ2-CD1 3.96Å; I687-I1032 HydrophobicContact CD1-CD1 4.23Å; M708-I1032 HydrophobicContact CE-CB 3.75Å; M708-I1032 HydrophobicContact CE-CG1 4.3Å; M708-I1032 HydrophobicContact SD-CB 3.85Å; M708-I1032 HydrophobicContact SD-CD1 4.39Å; M708-I1032 HydrophobicContact SD-CG1 3.81Å; Y1028-I1032 HydrophobicContact CE1-CB 4.26Å; Y1028-I1032 HydrophobicContact CE1-CD1 3.94Å; Y1028-I1032 HydrophobicContact CE1-CG2 4.48Å; Y1028-I1032 PolarHBondContact O-N 3.32Å; T1029-I1032 WeakPolarHBondContact O-CG2 3.42Å; T1029-I1032 PolarHBondContact O-N 3.07Å; I1032-L1035 WeakPolarHBondContact O-CB 3.35Å; I1032-L1035 PolarHBondContact O-N 2.92Å; I1032-Y1036 HydrophobicContact CD1-CE1 4.16Å; I1032-Y1036 WeakPolarHBondContact CD1-OH 3.34Å; I1032-Y1036 HydrophobicContact CG1-CD1 4.49Å; I1032-Y1036 HydrophobicContact CG1-CE1 3.79Å; I1032-Y1036 HydrophobicContact CG1-CE2 4.15Å; I1032-Y1036 HydrophobicContact CG2-CE2 4.05Å; I1032-Y1036 WeakPolarHBondContact O-CD2 3.3Å; I1032-Y1036 VanDerWaalsContact O-CG 3.25Å; I1032-Y1036 PolarHBondContact O-N 3.46Å
1033	E	98.1	Very high	97.4	Very high	17 Å²	17	35.1 Å²	35.1	8%	0.079	18%	0.176	C	C	.	.	H	α-helix	trans	-59.3	-47.8	169.2	-76.6	173.6	175.4	0	0	111.8	H590 D591 V595 T1029 L1035 Y1036 F1037	H590-E1033 WeakPolarHBondContact CA-OE1 3.43Å; H590-E1033 WeakPolarHBondContact CB-OE1 3.33Å; H590-E1033 IonicContact CE1-OE1 3.96Å; H590-E1033 IonicContact CG-OE1 3.96Å; H590-E1033 VanDerWaalsContact ND1-CG 3.27Å; H590-E1033 WeakPolarHBondContact ND1-CG 3.42Å; H590-E1033 IonicContact ND1-OE1 3.59Å; H590-E1033 PolarHBondContact ND1-OE1 3.21Å; D591-E1033 PolarHBondContact N-OE1 3.37Å; V595-E1033 HydrophobicContact CG2-CG 4.24Å; T1029-E1033 WeakPolarHBondContact O-CB 3.47Å; T1029-E1033 VanDerWaalsContact O-CG 3.22Å; T1029-E1033 WeakPolarHBondContact O-CG 3.3Å; T1029-E1033 PolarHBondContact O-N 3.08Å; E1033-L1035 PolarHBondContact O-N 3.29Å; E1033-Y1036 WeakPolarHBondContact O-CB 3.39Å; E1033-Y1036 PolarHBondContact O-N 3.27Å; E1033-Y1036 VanDerWaalsContact O-N 3.13Å; E1033-F1037 WeakPolarHBondContact O-CD2 3.15Å; E1033-F1037 PolarHBondContact O-N 3.04Å
1034	A	97.7	Very high	97.3	Very high	39 Å²	39	38.6 Å²	38.6	32%	0.322	19%	0.192	S	C	.	.	H	α-helix	trans	-59.3	-36	176.5	0	0	0	0	0	111.4	A1030 D1031 R1038 W1054	A1030-A1034 PolarHBondContact O-N 3.09Å; D1031-A1034 PolarHBondContact O-N 3.01Å; A1034-R1038 PolarHBondContact O-N 2.95Å; A1034-W1054 HydrophobicContact CB-CH2 4.09Å; A1034-W1054 HydrophobicContact CB-CZ3 3.91Å
1035	L	98.5	Very high	97.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-67.2	-44	174.3	-174.1	59.4	0	0	0	112.1	I687 A706 M708 D1031 I1032 E1033 F1037 R1038 M1039 I1051 W1054	I687-L1035 HydrophobicContact CD1-CD2 4.49Å; I687-L1035 HydrophobicContact CG1-CD2 4.32Å; I687-L1035 HydrophobicContact CG2-CD2 4.01Å; A706-L1035 HydrophobicContact CB-CD1 4.12Å; A706-L1035 HydrophobicContact CB-CD2 4.07Å; A706-L1035 HydrophobicContact CB-CG 4.4Å; M708-L1035 HydrophobicContact CG-CD2 4.42Å; M708-L1035 HydrophobicContact SD-CD2 3.8Å; D1031-L1035 PolarHBondContact O-N 3.39Å; D1031-L1035 VanDerWaalsContact O-N 3.14Å; I1032-L1035 WeakPolarHBondContact O-CB 3.35Å; I1032-L1035 PolarHBondContact O-N 2.92Å; E1033-L1035 PolarHBondContact O-N 3.29Å; L1035-F1037 VanDerWaalsContact C-N 3.34Å; L1035-F1037 PolarHBondContact O-N 3.45Å; L1035-R1038 WeakPolarHBondContact O-CB 3.37Å; L1035-R1038 PolarHBondContact O-N 3.37Å; L1035-R1038 VanDerWaalsContact O-N 3.1Å; L1035-M1039 HydrophobicContact CD2-CE 4.28Å; L1035-M1039 HydrophobicContact CG-CE 4.13Å; L1035-M1039 WeakPolarHBondContact O-CG 3.42Å; L1035-M1039 PolarHBondContact O-N 3.05Å; L1035-I1051 HydrophobicContact CD1-CB 4.15Å; L1035-I1051 HydrophobicContact CD1-CD1 4.25Å; L1035-I1051 HydrophobicContact CD1-CG2 3.72Å; L1035-W1054 HydrophobicContact CB-CH2 4.18Å; L1035-W1054 HydrophobicContact CB-CZ2 4.24Å; L1035-W1054 HydrophobicContact CD1-CZ2 4.19Å
1036	Y	98.5	Very high	97	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.3	-43.1	175.5	-64.2	-28.6	0	0	0	112.4	I567 Y569 H590 I644 L646 I687 I1032 E1033 R1038 M1039 W1040	I567-Y1036 HydrophobicContact CD1-CD1 4.45Å; I567-Y1036 HydrophobicContact CD1-CD2 3.64Å; I567-Y1036 HydrophobicContact CD1-CE2 4.2Å; I567-Y1036 HydrophobicContact CD1-CG 3.8Å; I567-Y1036 HydrophobicContact CG1-CD2 3.82Å; I567-Y1036 HydrophobicContact CG1-CE2 4.06Å; I567-Y1036 HydrophobicContact CG1-CG 4.48Å; I567-Y1036 HydrophobicContact CG2-CD2 4.38Å; I567-Y1036 HydrophobicContact CG2-CE2 3.85Å; Y569-Y1036 PolarHBondContact OH-OH 2.73Å; H590-Y1036 AromaticContact CE1-CE2 3.92Å; I644-Y1036 HydrophobicContact CD1-CD1 4.2Å; I644-Y1036 HydrophobicContact CD1-CG 4.19Å; I644-Y1036 WeakPolarHBondContact CD1-O 3.06Å; I644-Y1036 HydrophobicContact CG2-CD1 4.38Å; L646-Y1036 HydrophobicContact CD1-CE1 3.89Å; L646-Y1036 WeakPolarHBondContact CD1-OH 3.44Å; L646-Y1036 HydrophobicContact CD2-CE1 4.25Å; I687-Y1036 HydrophobicContact CD1-CE1 3.92Å; I1032-Y1036 HydrophobicContact CD1-CE1 4.16Å; I1032-Y1036 WeakPolarHBondContact CD1-OH 3.34Å; I1032-Y1036 HydrophobicContact CG1-CD1 4.49Å; I1032-Y1036 HydrophobicContact CG1-CE1 3.79Å; I1032-Y1036 HydrophobicContact CG1-CE2 4.15Å; I1032-Y1036 HydrophobicContact CG2-CE2 4.05Å; I1032-Y1036 WeakPolarHBondContact O-CD2 3.3Å; I1032-Y1036 VanDerWaalsContact O-CG 3.25Å; I1032-Y1036 PolarHBondContact O-N 3.46Å; E1033-Y1036 WeakPolarHBondContact O-CB 3.39Å; E1033-Y1036 PolarHBondContact O-N 3.27Å; E1033-Y1036 VanDerWaalsContact O-N 3.13Å; Y1036-R1038 VanDerWaalsContact C-N 3.27Å; Y1036-R1038 PolarHBondContact O-N 2.92Å; Y1036-M1039 HydrophobicContact CD1-SD 4.15Å; Y1036-M1039 WeakPolarHBondContact O-CB 3.31Å; Y1036-M1039 PolarHBondContact O-N 3.09Å; Y1036-W1040 PolarHBondContact O-N 3.15Å
1037	F	97.5	Very high	96.7	Very high	61 Å²	61	37.9 Å²	37.9	27%	0.268	23%	0.231	S	C	.	.	H	α-helix	trans	-62.1	-34.9	175.4	-80.3	-69.6	0	0	0	112.3	L565 K594 V595 E1033 L1035 W1040 Q1041	L565-F1037 HydrophobicContact CB-CE1 4.14Å; L565-F1037 HydrophobicContact CB-CZ 4.23Å; L565-F1037 HydrophobicContact CD2-CD1 4.19Å; L565-F1037 HydrophobicContact CD2-CE1 4.2Å; L565-F1037 HydrophobicContact CD2-CG 4.49Å; L565-F1037 HydrophobicContact CD2-CZ 4.48Å; K594-F1037 HydrophobicContact CB-CE2 4.15Å; K594-F1037 HydrophobicContact CB-CZ 3.94Å; K594-F1037 HydrophobicContact CD-CE2 4.48Å; V595-F1037 HydrophobicContact CG2-CE2 4.13Å; V595-F1037 HydrophobicContact CG2-CZ 4.31Å; E1033-F1037 WeakPolarHBondContact O-CD2 3.15Å; E1033-F1037 PolarHBondContact O-N 3.04Å; L1035-F1037 VanDerWaalsContact C-N 3.34Å; L1035-F1037 PolarHBondContact O-N 3.45Å; F1037-W1040 PolarHBondContact O-N 3.4Å; F1037-Q1041 WeakPolarHBondContact O-CB 3.26Å; F1037-Q1041 WeakPolarHBondContact O-CG 3.39Å; F1037-Q1041 PolarHBondContact O-N 3.25Å
1038	R	96.7	Very high	96.6	Very high	52 Å²	52	38.7 Å²	38.7	20%	0.196	23%	0.232	C	C	.	.	H	α-helix	trans	-70.7	-40	173.7	-71.4	-169.3	-170.3	143.6	15.3	113.2	A1034 L1035 Y1036 W1040 Q1041 Q1042 I1051 E1053 W1054	A1034-R1038 PolarHBondContact O-N 2.95Å; L1035-R1038 WeakPolarHBondContact O-CB 3.37Å; L1035-R1038 PolarHBondContact O-N 3.37Å; L1035-R1038 VanDerWaalsContact O-N 3.1Å; Y1036-R1038 VanDerWaalsContact C-N 3.27Å; Y1036-R1038 PolarHBondContact O-N 2.92Å; R1038-W1040 VanDerWaalsContact C-N 3.26Å; R1038-W1040 PolarHBondContact O-N 2.92Å; R1038-Q1041 PolarHBondContact O-N 3.11Å; R1038-Q1042 WeakPolarHBondContact O-CB 3.42Å; R1038-Q1042 WeakPolarHBondContact O-CG 3.24Å; R1038-Q1042 PolarHBondContact O-N 3.38Å; R1038-I1051 HydrophobicContact CB-CD1 4.07Å; R1038-I1051 HydrophobicContact CB-CG2 4.19Å; R1038-E1053 PolarHBondContact NH1-O 3.42Å; R1038-W1054 VanDerWaalsContact NH1-CD2 3.33Å
1039	M	98	Very high	96.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-57.7	-44.7	172.5	-69	175.5	170.8	0	0	110.4	I644 I667 A669 Y685 I687 A706 L1035 Y1036 Q1042 Y1043 I1051	I644-M1039 HydrophobicContact CD1-CB 4.11Å; I644-M1039 HydrophobicContact CD1-SD 4.48Å; I644-M1039 HydrophobicContact CG2-SD 4.47Å; I667-M1039 HydrophobicContact CD1-CB 4.12Å; I667-M1039 WeakPolarHBondContact CD1-O 3.24Å; A669-M1039 HydrophobicContact CB-CE 4.46Å; Y685-M1039 HydrophobicContact CD1-CE 4.45Å; Y685-M1039 HydrophobicContact CD2-CE 4.2Å; Y685-M1039 HydrophobicContact CD2-CG 4.06Å; Y685-M1039 HydrophobicContact CD2-SD 4.23Å; Y685-M1039 HydrophobicContact CE2-CB 4.24Å; Y685-M1039 HydrophobicContact CE2-CG 4.02Å; Y685-M1039 HydrophobicContact CG-CE 3.92Å; I687-M1039 HydrophobicContact CD1-CE 3.91Å; I687-M1039 HydrophobicContact CG1-CE 3.63Å; A706-M1039 HydrophobicContact CB-CE 3.33Å; L1035-M1039 HydrophobicContact CD2-CE 4.28Å; L1035-M1039 HydrophobicContact CG-CE 4.13Å; L1035-M1039 WeakPolarHBondContact O-CG 3.42Å; L1035-M1039 PolarHBondContact O-N 3.05Å; Y1036-M1039 HydrophobicContact CD1-SD 4.15Å; Y1036-M1039 WeakPolarHBondContact O-CB 3.31Å; Y1036-M1039 PolarHBondContact O-N 3.09Å; M1039-Q1042 WeakPolarHBondContact O-CB 3.4Å; M1039-Q1042 PolarHBondContact O-N 3.39Å; M1039-Y1043 PolarHBondContact O-N 3.25Å; M1039-I1051 HydrophobicContact CB-CD1 4.36Å; M1039-I1051 HydrophobicContact CG-CD1 3.68Å
1040	W	97.4	Very high	96.6	Very high	9 Å²	9	45.6 Å²	45.6	3%	0.034	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-44.5	177.6	-171.8	-102.5	0	0	0	112.6	L559 L565 H643 P666 I667 Y1036 F1037 R1038 Q1042 Y1043 E1044	L559-W1040 HydrophobicContact CB-CZ2 3.91Å; L559-W1040 VanDerWaalsContact CB-NE1 3.29Å; L565-W1040 HydrophobicContact CD1-CB 4.06Å; L565-W1040 HydrophobicContact CD1-CD2 3.78Å; L565-W1040 HydrophobicContact CD1-CE3 4.03Å; L565-W1040 HydrophobicContact CD1-CG 3.76Å; L565-W1040 HydrophobicContact CD2-CB 4.35Å; H643-W1040 HydrophobicContact CB-CE3 3.9Å; H643-W1040 HydrophobicContact CB-CH2 4.32Å; H643-W1040 HydrophobicContact CB-CZ3 3.68Å; H643-W1040 AromaticContact CD2-CH2 3.52Å; H643-W1040 AromaticContact CD2-CZ2 3.98Å; H643-W1040 AromaticContact CD2-CZ3 3.81Å; P666-W1040 HydrophobicContact CG-CH2 4.39Å; P666-W1040 HydrophobicContact CG-CZ3 3.87Å; I667-W1040 HydrophobicContact CD1-CE3 3.98Å; Y1036-W1040 PolarHBondContact O-N 3.15Å; F1037-W1040 PolarHBondContact O-N 3.4Å; R1038-W1040 VanDerWaalsContact C-N 3.26Å; R1038-W1040 PolarHBondContact O-N 2.92Å; W1040-Q1042 VanDerWaalsContact C-N 3.3Å; W1040-Q1042 PolarHBondContact O-N 2.86Å; W1040-Y1043 HydrophobicContact CE3-CD1 4.07Å; W1040-Y1043 AromaticContact CH2-CD1 3.73Å; W1040-Y1043 HydrophobicContact CH2-CD1 3.73Å; W1040-Y1043 AromaticContact CH2-CE1 3.75Å; W1040-Y1043 HydrophobicContact CH2-CE1 3.75Å; W1040-Y1043 HydrophobicContact CZ2-CD1 4.26Å; W1040-Y1043 HydrophobicContact CZ2-CE1 4.47Å; W1040-Y1043 AromaticContact CZ3-CD1 3.62Å; W1040-Y1043 HydrophobicContact CZ3-CD1 3.62Å; W1040-Y1043 AromaticContact CZ3-CE1 3.93Å; W1040-Y1043 HydrophobicContact CZ3-CE1 3.93Å; W1040-Y1043 HydrophobicContact CZ3-CG 4.37Å; W1040-Y1043 WeakPolarHBondContact O-CB 3.42Å; W1040-Y1043 PolarHBondContact O-N 3.48Å; W1040-Y1043 VanDerWaalsContact O-N 3.14Å; W1040-E1044 HydrophobicContact CZ2-CG 4.33Å; W1040-E1044 PolarHBondContact NE1-OE1 3.25Å; W1040-E1044 WeakPolarHBondContact O-CG 3.32Å; W1040-E1044 PolarHBondContact O-N 2.64Å
1041	Q	95.2	Very high	96.6	Very high	116 Å²	116	43.6 Å²	43.6	54%	0.542	25%	0.245	S	C	.	.	H	α-helix	trans	-58.2	-41	175.5	-75.7	166.1	-3	0	0	112.7	F1037 R1038 E1044 A1045	F1037-Q1041 WeakPolarHBondContact O-CB 3.26Å; F1037-Q1041 WeakPolarHBondContact O-CG 3.39Å; F1037-Q1041 PolarHBondContact O-N 3.25Å; R1038-Q1041 PolarHBondContact O-N 3.11Å; Q1041-E1044 PolarHBondContact O-N 3.48Å; Q1041-A1045 WeakPolarHBondContact O-CB 3.27Å; Q1041-A1045 PolarHBondContact O-N 3.46Å
1042	Q	96.2	Very high	96.4	Very high	51 Å²	51	44.2 Å²	44.2	24%	0.238	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-47.5	174.4	-77.5	-74.2	-1.9	0	0	110.9	R1038 M1039 W1040 E1044 A1045 G1046 S1047	R1038-Q1042 WeakPolarHBondContact O-CB 3.42Å; R1038-Q1042 WeakPolarHBondContact O-CG 3.24Å; R1038-Q1042 PolarHBondContact O-N 3.38Å; M1039-Q1042 WeakPolarHBondContact O-CB 3.4Å; M1039-Q1042 PolarHBondContact O-N 3.39Å; W1040-Q1042 VanDerWaalsContact C-N 3.3Å; W1040-Q1042 PolarHBondContact O-N 2.86Å; Q1042-E1044 PolarHBondContact O-N 2.93Å; Q1042-A1045 CarbonylContact O-C 3.58Å; Q1042-A1045 WeakPolarHBondContact O-CB 3.22Å; Q1042-A1045 PolarHBondContact O-N 2.92Å; Q1042-A1045 VanDerWaalsContact O-N 3.14Å; Q1042-G1046 PolarHBondContact O-N 3.27Å; Q1042-G1046 VanDerWaalsContact O-N 3.08Å; Q1042-S1047 CarbonylContact C-O 3.52Å; Q1042-S1047 VanDerWaalsContact CB-O 3.28Å; Q1042-S1047 WeakPolarHBondContact CB-O 3.43Å; Q1042-S1047 PolarHBondContact O-N 3.35Å; Q1042-S1047 PolarHBondContact OE1-O 3.43Å; Q1042-S1047 PolarHBondContact OE1-OG 3.35Å
1043	Y	96.5	Very high	95.9	Very high	46 Å²	46	52.1 Å²	52.1	18%	0.18	29%	0.288	C	S	.	.	H	α-helix	trans	-59.2	-44.6	175.3	176.3	-95.8	0	0	0	113.1	S556 P666 I667 M1039 W1040 A1045 G1046	S556-Y1043 WeakPolarHBondContact O-CE1 3.49Å; P666-Y1043 HydrophobicContact CB-CD2 4.19Å; P666-Y1043 HydrophobicContact CB-CE1 4Å; P666-Y1043 HydrophobicContact CB-CE2 3.5Å; P666-Y1043 VanDerWaalsContact CB-CE2 3.5Å; P666-Y1043 WeakPolarHBondContact CB-OH 3.46Å; I667-Y1043 HydrophobicContact CD1-CG 4.13Å; I667-Y1043 HydrophobicContact CG1-CD2 4.03Å; I667-Y1043 HydrophobicContact CG1-CG 4.06Å; M1039-Y1043 PolarHBondContact O-N 3.25Å; W1040-Y1043 HydrophobicContact CE3-CD1 4.07Å; W1040-Y1043 AromaticContact CH2-CD1 3.73Å; W1040-Y1043 HydrophobicContact CH2-CD1 3.73Å; W1040-Y1043 AromaticContact CH2-CE1 3.75Å; W1040-Y1043 HydrophobicContact CH2-CE1 3.75Å; W1040-Y1043 HydrophobicContact CZ2-CD1 4.26Å; W1040-Y1043 HydrophobicContact CZ2-CE1 4.47Å; W1040-Y1043 AromaticContact CZ3-CD1 3.62Å; W1040-Y1043 HydrophobicContact CZ3-CD1 3.62Å; W1040-Y1043 AromaticContact CZ3-CE1 3.93Å; W1040-Y1043 HydrophobicContact CZ3-CE1 3.93Å; W1040-Y1043 HydrophobicContact CZ3-CG 4.37Å; W1040-Y1043 WeakPolarHBondContact O-CB 3.42Å; W1040-Y1043 PolarHBondContact O-N 3.48Å; W1040-Y1043 VanDerWaalsContact O-N 3.14Å; Y1043-A1045 VanDerWaalsContact C-N 3.27Å; Y1043-A1045 PolarHBondContact O-N 3.35Å; Y1043-G1046 PolarHBondContact O-N 3.32Å
1044	E	95.6	Very high	95.1	Very high	74 Å²	74	54.6 Å²	54.6	35%	0.346	30%	0.296	S	S	.	.	H	α-helix	trans	-63.9	-33	176.3	-66.8	-168.6	141.6	0	0	112.5	K557 K558 L559 W1040 Q1041 Q1042 G1046	K557-E1044 WeakPolarHBondContact O-CG 3.38Å; K558-E1044 WeakPolarHBondContact CA-OE1 3.33Å; L559-E1044 PolarHBondContact N-OE1 3.47Å; W1040-E1044 HydrophobicContact CZ2-CG 4.33Å; W1040-E1044 PolarHBondContact NE1-OE1 3.25Å; W1040-E1044 WeakPolarHBondContact O-CG 3.32Å; W1040-E1044 PolarHBondContact O-N 2.64Å; Q1041-E1044 PolarHBondContact O-N 3.48Å; Q1042-E1044 PolarHBondContact O-N 2.93Å; E1044-G1046 PolarHBondContact O-N 3.47Å
1045	A	95.2	Very high	93.7	Very high	78 Å²	78	57.7 Å²	57.7	65%	0.645	31%	0.313	S	S	*	.	H	α-helix	trans	-74.1	-11.5	173.4	0	0	0	0	0	113.2	Q1041 Q1042 Y1043	Q1041-A1045 WeakPolarHBondContact O-CB 3.27Å; Q1041-A1045 PolarHBondContact O-N 3.46Å; Q1042-A1045 CarbonylContact O-C 3.58Å; Q1042-A1045 WeakPolarHBondContact O-CB 3.22Å; Q1042-A1045 PolarHBondContact O-N 2.92Å; Q1042-A1045 VanDerWaalsContact O-N 3.14Å; Y1043-A1045 VanDerWaalsContact C-N 3.27Å; Y1043-A1045 PolarHBondContact O-N 3.35Å
1046	G	93.1	Very high	91.8	Very high	73 Å²	73	62.7 Å²	62.7	75%	0.753	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	21.1	-178	0	0	0	0	0	114.1	Q1042 Y1043 E1044	Q1042-G1046 PolarHBondContact O-N 3.27Å; Q1042-G1046 VanDerWaalsContact O-N 3.08Å; Y1043-G1046 PolarHBondContact O-N 3.32Å; E1044-G1046 PolarHBondContact O-N 3.47Å
1047	S	90.8	Very high	89.4	Confident	45 Å²	45	71.9 Å²	71.9	32%	0.315	39%	0.388	S	S	.	.			trans	-126.4	141	178.1	54.2	0	0	0	0	111.1	Q1042	Q1042-S1047 CarbonylContact C-O 3.52Å; Q1042-S1047 VanDerWaalsContact CB-O 3.28Å; Q1042-S1047 WeakPolarHBondContact CB-O 3.43Å; Q1042-S1047 PolarHBondContact O-N 3.35Å; Q1042-S1047 PolarHBondContact OE1-O 3.43Å; Q1042-S1047 PolarHBondContact OE1-OG 3.35Å
1048	I	94.2	Very high	86.7	Confident	56 Å²	56	74.1 Å²	74.1	29%	0.287	41%	0.409	S	S	.	.			trans	-121.6	97.2	172.7	-69	171	0	0	0	106.9	D684 Y685 K704	D684-I1048 HydrophobicContact CB-CD1 4.14Å; D684-I1048 HydrophobicContact CB-CG2 4.12Å; Y685-I1048 HydrophobicContact CE1-CG2 4.3Å; Y685-I1048 HydrophobicContact CE2-CG2 4Å; K704-I1048 WeakPolarHBondContact CE-O 3.31Å; K704-I1048 HydrophobicContact CG-CG2 3.94Å
1049	E	97.1	Very high	84.1	Confident	95 Å²	95	77.7 Å²	77.7	44%	0.444	43%	0.432	S	S	.	.			trans	-122	165.4	-179.9	-66.9	-57	158.1	0	0	112	Y685 K704 I1051	Y685-E1049 VanDerWaalsContact CE1-O 3.27Å; Y685-E1049 WeakPolarHBondContact CE1-O 3.42Å; Y685-E1049 PolarHBondContact OH-O 3.2Å; K704-E1049 IonicContact NZ-OE1 3.58Å; K704-E1049 IonicContact NZ-OE2 3.69Å; K704-E1049 PolarHBondContact NZ-OE2 3.27Å; E1049-I1051 PolarHBondContact O-N 3.17Å
1050	H	98.1	Very high	81.4	Confident	59 Å²	59	87.5 Å²	87.5	27%	0.273	47%	0.474	S	S	.	.			trans	-55.6	133.3	175.3	-64.2	-85.7	0	0	0	111.2	M695 L705 V1052	M695-H1050 HydrophobicContact CE-CB 4.21Å; L705-H1050 PolarHBondContact N-ND1 3.41Å; L705-H1050 CarbonylContact O-C 3.52Å; L705-H1050 WeakPolarHBondContact O-CA 3.5Å; H1050-V1052 HydrophobicContact CB-CG1 4.16Å
1051	I	97.8	Very high	78.7	Confident	10 Å²	10	95.7 Å²	95.7	5%	0.051	51%	0.513	C	S	.	.	B	Isolated β-bridge	trans	-107.7	88.6	174.8	-53.1	171.9	0	0	0	107.4	Y685 L705 Y707 L1035 R1038 M1039 E1049	Y685-I1051 HydrophobicContact CE1-CD1 4.03Å; Y685-I1051 HydrophobicContact CE1-CG1 4.16Å; L705-I1051 PolarHBondContact O-N 3.34Å; Y707-I1051 PolarHBondContact N-O 3.17Å; L1035-I1051 HydrophobicContact CD1-CB 4.15Å; L1035-I1051 HydrophobicContact CD1-CD1 4.25Å; L1035-I1051 HydrophobicContact CD1-CG2 3.72Å; R1038-I1051 HydrophobicContact CB-CD1 4.07Å; R1038-I1051 HydrophobicContact CB-CG2 4.19Å; M1039-I1051 HydrophobicContact CB-CD1 4.36Å; M1039-I1051 HydrophobicContact CG-CD1 3.68Å; E1049-I1051 PolarHBondContact O-N 3.17Å
1052	V	94.6	Very high	75.7	Confident	48 Å²	48	94.6 Å²	94.6	29%	0.291	52%	0.518	S	S	.	.			trans	-119.4	-15.9	-172.4	-65.2	0	0	0	0	115.5	M695 Y707 H1050	M695-V1052 HydrophobicContact CE-CB 4.03Å; M695-V1052 HydrophobicContact CE-CG1 3.23Å; M695-V1052 HydrophobicContact CE-CG2 3.92Å; Y707-V1052 HydrophobicContact CD1-CG1 4.07Å; Y707-V1052 HydrophobicContact CD2-CB 3.5Å; Y707-V1052 HydrophobicContact CD2-CG1 3.45Å; Y707-V1052 VanDerWaalsContact CD2-CG1 3.45Å; Y707-V1052 HydrophobicContact CE1-CG1 4.02Å; Y707-V1052 HydrophobicContact CE2-CB 3.61Å; Y707-V1052 HydrophobicContact CE2-CG1 3.38Å; Y707-V1052 HydrophobicContact CG-CB 4.2Å; Y707-V1052 HydrophobicContact CG-CG1 3.79Å; H1050-V1052 HydrophobicContact CB-CG1 4.16Å
1053	E	87.5	Confident	72.7	Confident	166 Å²	166	101.8 Å²	101.8	78%	0.776	57%	0.566	S	S	*	*			trans	-94.2	137	178.3	-64.2	-178.4	-178	0	0	110.6	R1038	R1038-E1053 PolarHBondContact NH1-O 3.42Å
1054	W	81.9	Confident	71.5	Confident	68 Å²	68	104.6 Å²	104.6	26%	0.258	59%	0.585	S	S	.	*			trans	-120.3	132.8	170.9	-73.1	83.9	0	0	0	108.1	Y707 P709 D1031 A1034 L1035 R1038 S1056	Y707-W1054 VanDerWaalsContact O-CE2 3.24Å; Y707-W1054 WeakPolarHBondContact O-CZ2 3.43Å; Y707-W1054 PolarHBondContact O-NE1 3.43Å; P709-W1054 HydrophobicContact CB-CD2 3.72Å; P709-W1054 HydrophobicContact CB-CE3 4.15Å; P709-W1054 HydrophobicContact CB-CG 3.92Å; P709-W1054 HydrophobicContact CB-CZ2 4.44Å; P709-W1054 HydrophobicContact CG-CD2 4.22Å; P709-W1054 HydrophobicContact CG-CE3 4.32Å; P709-W1054 HydrophobicContact CG-CH2 4.32Å; P709-W1054 HydrophobicContact CG-CZ2 4.22Å; P709-W1054 HydrophobicContact CG-CZ3 4.36Å; D1031-W1054 WeakPolarHBondContact O-CH2 3.47Å; A1034-W1054 HydrophobicContact CB-CH2 4.09Å; A1034-W1054 HydrophobicContact CB-CZ3 3.91Å; L1035-W1054 HydrophobicContact CB-CH2 4.18Å; L1035-W1054 HydrophobicContact CB-CZ2 4.24Å; L1035-W1054 HydrophobicContact CD1-CZ2 4.19Å; R1038-W1054 VanDerWaalsContact NH1-CD2 3.33Å; W1054-S1056 PolarHBondContact O-N 3.42Å
1055	P	68.5	Low	70.3	Confident	104 Å²	104	106.2 Å²	106.2	68%	0.675	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-53.2	121.4	175	-20.9	29.1	0	0	0	108.7	K1057	P1055-K1057 PolarHBondContact O-N 3.45Å
1056	S	57.2	Low	68.9	Low	106 Å²	106	107.7 Å²	107.7	74%	0.741	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-53.2	131.4	165.3	46.9	0	0	0	0	107.2	W1054 P1058	W1054-S1056 PolarHBondContact O-N 3.42Å; S1056-P1058 VanDerWaalsContact O-N 3.15Å
1057	K	49.2	Very low	67.5	Low	192 Å²	192	109.8 Å²	109.8	84%	0.835	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-46	129.6	168.9	-86.7	-178.1	176	176.5	0	107.1	P1055 N1059	P1055-K1057 PolarHBondContact O-N 3.45Å; K1057-N1059 PolarHBondContact O-N 3.4Å
1058	P	41	Very low	66	Low	108 Å²	108	113.8 Å²	113.8	70%	0.701	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-53	122	174.3	19.6	-29.2	0	0	0	106.9	S1056 K1060	S1056-P1058 VanDerWaalsContact O-N 3.15Å; P1058-K1060 PolarHBondContact O-N 3.31Å
1059	N	40.5	Very low	64.1	Low	127 Å²	127	117.7 Å²	117.7	68%	0.679	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-50.5	121	174.1	-102.3	-9.1	0	0	0	106.3	K1057 E1061 S1062	K1057-N1059 PolarHBondContact O-N 3.4Å; N1059-E1061 PolarHBondContact O-N 3.47Å; N1059-S1062 PolarHBondContact O-N 3.41Å; N1059-S1062 PolarHBondContact O-OG 3.24Å
1060	K	42.4	Very low	61.8	Low	207 Å²	207	119.3 Å²	119.3	90%	0.9	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	13.3	176.6	-93.7	-168.8	173.1	-170.6	0	113.5	P1058	P1058-K1060 PolarHBondContact O-N 3.31Å
1061	E	40.7	Very low	59	Low	180 Å²	180	123.9 Å²	123.9	84%	0.841	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	12.8	174.4	-67.3	-176.1	165.8	0	0	112.7	N1059	N1059-E1061 PolarHBondContact O-N 3.47Å
1062	S	30.8	Very low	55.7	Low	94 Å²	94	133.4 Å²	133.4	66%	0.657	72%	0.716	S	S	*	*			trans	-110.5	49.4	169.8	56.8	0	0	0	0	112.5	N1059	N1059-S1062 PolarHBondContact O-N 3.41Å; N1059-S1062 PolarHBondContact O-OG 3.24Å
1063	T	34.6	Very low	52.2	Low	201 Å²	201	141.2 Å²	141.2	100%	1.233	75%	0.754	S	S	*	*			trans	-149.5	0	152.9	47	0	0	0	0	109.3

Retrieved 1,063 of 1,063 residues in 244.8 ms (Link to these results)

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