A0A3Q0KIK6_SCHMA Loading...

TMEM132D_N domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KIK6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 802 aa.

						>A0A3Q0KIK6_SCHMA|A0A3Q0KIK6
MPLTRDPLNETIDTVQKDEDQMTDIVWFKSSIVKILLFILGTILLCSIVLILLATALTHTSWFIRKRRSIHKRLDLSNRSKLEIKDYILYYFCFTVEALAINSVNDSETSLKNTKFFGYKQSEKSYETPSLPLRFQPEKLYGTTTIMQKDKSRKGSCINLPFHPPENQFRKKSMLDSFVFSDQRRCSKLLDSNSLSKSNLSIQHSHLAGSEKNSSELIKSVMDSKSEPRDIPQNFPGLSNQSSFDRNSSRKASVSTDDTKCYAPNEGDICLAVPIITRRASATDYELLDNRSGKSKRLIDAPISITVTDTQAELDGNLTLKNDDMHALSTPGLFVEDQRFTRRNSLLSYSTPVVVKGKEDQEPTEDDKHFHPSTEIQNRIENSSSFFSGLQTDESILLNTDTDKQKIINKRLPPVITYDWMKFPAGIMAIGVKYFPHVSSNQDQILVTLYTGKNLLSPRLWHKTIFCVYCTVSTKENSQTFTVHSKETEFGCPQFSNHNEISMNLPVRRCSILTGAHDIEAPKIHIKLKIFESIPKWSGDKEYYHGSCSMSTEELSKSQKGFEHIGWCLVEEAYPAIRLSGDMLVSICRNQSKGFVNIRIHEIRNLQFLSYGRWRIENLNDLLNNRSYEMTVHTCLINAGNIIKSIKATTIHYPSRRNSKHNETDVNNSTENKLYEAKTTETKSNNFTLADCFVHFSLPTVKKSVGRHLAVKHGVTIYIKGKLPISDLIPYECLNQLKQMGITSIRVLNAIGECHFGDYGFQSDLIKDFNRPPSCRFSQGFSFWNDAGSRNGTRIYQWLRIE
					

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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	Very low	37.1	Very low	237 Å²	237	152.7 Å²	152.7	100%	1.167	80%	0.804	S	S	*	*				0	143.3	0	-73.3	177.2	152.7	0	0	107.6
2	P	43.2	Very low	36.9	Very low	112 Å²	112	153.8 Å²	153.8	73%	0.727	81%	0.808	S	S	*	*			cis	-76.6	170.6	-6.5	-12	31.9	0	0	0	112.7
3	L	37.1	Very low	36.5	Very low	167 Å²	167	152.8 Å²	152.8	87%	0.874	80%	0.804	S	S	*	*				63.2	135.9	68	-48.5	173.2	0	0	0	113.1
4	T	38.8	Very low	36.2	Very low	126 Å²	126	151.4 Å²	151.4	77%	0.773	80%	0.804	S	S	*	*			cis	-133.5	151.1	19.3	43.4	0	0	0	0	112.7
5	R	36.8	Very low	36.5	Very low	224 Å²	224	147.7 Å²	147.7	85%	0.845	79%	0.79	S	S	*	*				50.4	132	90.4	-98.8	-174.9	-172.3	163	1.8	114.3
6	D	38.9	Very low	36.7	Very low	139 Å²	139	150.1 Å²	150.1	74%	0.743	80%	0.795	S	S	*	*			cis	-150	-178.6	43	-95.4	-30.8	0	0	0	116.2
7	P	45.2	Very low	36.9	Very low	103 Å²	103	149.3 Å²	149.3	67%	0.669	78%	0.783	S	S	*	*			trans	-131.9	-155.5	-161.6	43.9	-26	0	0	0	116.5
8	L	32	Very low	37.4	Very low	144 Å²	144	147.4 Å²	147.4	75%	0.754	77%	0.774	S	S	*	*			trans	78.8	133.4	177.4	-91.8	74.5	0	0	0	115.7
9	N	30.6	Very low	37.9	Very low	126 Å²	126	148.5 Å²	148.5	67%	0.674	78%	0.775	S	S	*	*				58.9	136.9	83.6	-63.7	36.5	0	0	0	112.2
10	E	30.2	Very low	38.3	Very low	160 Å²	160	146.1 Å²	146.1	75%	0.748	76%	0.763	S	S	*	*			cis	-163	148.3	11.5	-128.4	157.3	-125.9	0	0	109.3
11	T	34.8	Very low	38.8	Very low	142 Å²	142	144 Å²	144	87%	0.871	75%	0.749	S	S	*	*			trans	177.6	114.4	134.1	34.5	0	0	0	0	109.4
12	I	34.4	Very low	39	Very low	165 Å²	165	139.2 Å²	139.2	85%	0.846	73%	0.725	S	S	*	*			trans	-90.5	114.6	158	-63.9	164.4	0	0	0	105.8
13	D	31.6	Very low	39.3	Very low	141 Å²	141	137.4 Å²	137.4	75%	0.754	71%	0.712	S	S	*	*			trans	-175.5	139	140.8	-109.4	-27.6	0	0	0	112.9
14	T	32.4	Very low	39.8	Very low	133 Å²	133	134.4 Å²	134.4	82%	0.816	70%	0.697	S	S	*	*			trans	62.7	144.5	-175.5	78.6	0	0	0	0	114
15	V	40.8	Very low	40.4	Very low	97 Å²	97	132.1 Å²	132.1	59%	0.588	68%	0.68	S	S	*	*			cis	-129	92.7	16.4	177.3	0	0	0	0	109.8	K17	V15-K17 HydrophobicContact CG1-CB 3.4Å; V15-K17 PolarHBondContact O-N 3.29Å
16	Q	39.2	Very low	41.1	Very low	185 Å²	185	125.7 Å²	125.7	86%	0.864	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	77.2	165.8	-174.3	178.1	-4.4	0	0	108.6
17	K	40.8	Very low	41.5	Very low	137 Å²	137	127.6 Å²	127.6	60%	0.596	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.1	-18.3	-172	-130.4	170.2	-171	173	0	116.3	V15 Q21	V15-K17 HydrophobicContact CG1-CB 3.4Å; V15-K17 PolarHBondContact O-N 3.29Å; K17-Q21 WeakPolarHBondContact O-CB 3.29Å; K17-Q21 VanDerWaalsContact O-CG 3.29Å; K17-Q21 WeakPolarHBondContact O-CG 3.37Å; K17-Q21 PolarHBondContact O-N 2.92Å
18	D	45.8	Very low	41.7	Very low	116 Å²	116	129.5 Å²	129.5	62%	0.62	66%	0.66	S	S	*	*	H	α-helix	trans	-87.7	-36	-178.9	-83	-34.9	0	0	0	113.9	Q21 M22	D18-Q21 PolarHBondContact O-N 2.91Å; D18-M22 WeakPolarHBondContact O-CB 3.19Å; D18-M22 PolarHBondContact O-N 2.86Å
19	E	45.9	Very low	42.8	Very low	168 Å²	168	129.2 Å²	129.2	79%	0.785	65%	0.652	S	S	*	*	H	α-helix	trans	-70.3	-41.4	177.9	-70.4	-159.8	129.7	0	0	112.6	M22 T23	E19-M22 PolarHBondContact O-N 2.82Å; E19-T23 WeakPolarHBondContact O-CB 3.47Å; E19-T23 WeakPolarHBondContact O-CG2 3.45Å; E19-T23 PolarHBondContact O-N 3.2Å; E19-T23 PolarHBondContact O-OG1 2.93Å
20	D	47.2	Very low	44.2	Very low	100 Å²	100	125.3 Å²	125.3	54%	0.535	64%	0.635	S	S	.	*	H	α-helix	trans	-62.9	-40.8	172.2	-73.9	-32.1	0	0	0	111	T23 D24	D20-T23 WeakPolarHBondContact CA-OG1 3.47Å; D20-T23 PolarHBondContact O-OG1 3.44Å; D20-T23 VanDerWaalsContact O-OG1 3.12Å; D20-D24 VanDerWaalsContact O-CB 3.22Å; D20-D24 WeakPolarHBondContact O-CB 3.38Å; D20-D24 PolarHBondContact O-N 3.2Å
21	Q	47.2	Very low	45.9	Very low	102 Å²	102	120.2 Å²	120.2	48%	0.477	62%	0.617	S	S	.	*	H	α-helix	trans	-69.6	-34.4	173.7	-77.4	-167.2	15.8	0	0	113.5	K17 D18 I25	K17-Q21 WeakPolarHBondContact O-CB 3.29Å; K17-Q21 VanDerWaalsContact O-CG 3.29Å; K17-Q21 WeakPolarHBondContact O-CG 3.37Å; K17-Q21 PolarHBondContact O-N 2.92Å; D18-Q21 PolarHBondContact O-N 2.91Å; Q21-I25 WeakPolarHBondContact O-CB 3.39Å; Q21-I25 WeakPolarHBondContact O-CD1 3.23Å; Q21-I25 WeakPolarHBondContact O-CG1 3.22Å; Q21-I25 PolarHBondContact O-N 2.92Å
22	M	46.7	Very low	47.8	Very low	137 Å²	137	117.7 Å²	117.7	68%	0.675	60%	0.598	S	S	*	*	H	α-helix	trans	-69	-42.3	177.9	-166	68.9	143.4	0	0	110.2	D18 E19 V26	D18-M22 WeakPolarHBondContact O-CB 3.19Å; D18-M22 PolarHBondContact O-N 2.86Å; E19-M22 PolarHBondContact O-N 2.82Å; M22-V26 WeakPolarHBondContact O-CB 3.37Å; M22-V26 VanDerWaalsContact O-CG2 3.23Å; M22-V26 WeakPolarHBondContact O-CG2 3.1Å; M22-V26 PolarHBondContact O-N 3.28Å
23	T	48.3	Very low	49.9	Very low	74 Å²	74	113.7 Å²	113.7	45%	0.454	58%	0.581	S	S	.	*	H	α-helix	trans	-69.6	-44.6	174.3	53.4	0	0	0	0	111.9	E19 D20 I25 V26 W27	E19-T23 WeakPolarHBondContact O-CB 3.47Å; E19-T23 WeakPolarHBondContact O-CG2 3.45Å; E19-T23 PolarHBondContact O-N 3.2Å; E19-T23 PolarHBondContact O-OG1 2.93Å; D20-T23 WeakPolarHBondContact CA-OG1 3.47Å; D20-T23 PolarHBondContact O-OG1 3.44Å; D20-T23 VanDerWaalsContact O-OG1 3.12Å; T23-I25 PolarHBondContact O-N 2.85Å; T23-V26 CarbonylContact O-C 3.58Å; T23-V26 PolarHBondContact O-N 2.85Å; T23-W27 WeakPolarHBondContact O-CB 3.15Å; T23-W27 PolarHBondContact O-N 3.05Å
24	D	47.3	Very low	52	Low	103 Å²	103	112.7 Å²	112.7	55%	0.551	57%	0.569	S	S	*	*	H	α-helix	trans	-62.1	-41.5	174	-96.6	-17.1	0	0	0	111.5	D20 V26 W27 F28	D20-D24 VanDerWaalsContact O-CB 3.22Å; D20-D24 WeakPolarHBondContact O-CB 3.38Å; D20-D24 PolarHBondContact O-N 3.2Å; D24-V26 VanDerWaalsContact C-N 3.33Å; D24-V26 PolarHBondContact O-N 3.11Å; D24-W27 CarbonylContact O-C 3.56Å; D24-W27 PolarHBondContact O-N 2.98Å; D24-F28 VanDerWaalsContact O-CB 3.28Å; D24-F28 WeakPolarHBondContact O-CB 3.45Å; D24-F28 PolarHBondContact O-N 3.04Å
25	I	52.3	Low	54.3	Low	79 Å²	79	110.7 Å²	110.7	41%	0.405	55%	0.553	S	S	.	*	H	α-helix	trans	-67.4	-35.1	177.1	-71.6	165.9	0	0	0	111	Q21 T23 K29	Q21-I25 WeakPolarHBondContact O-CB 3.39Å; Q21-I25 WeakPolarHBondContact O-CD1 3.23Å; Q21-I25 WeakPolarHBondContact O-CG1 3.22Å; Q21-I25 PolarHBondContact O-N 2.92Å; T23-I25 PolarHBondContact O-N 2.85Å; I25-K29 HydrophobicContact CG2-CD 4.03Å; I25-K29 VanDerWaalsContact O-CB 3.25Å; I25-K29 WeakPolarHBondContact O-CB 3.17Å; I25-K29 VanDerWaalsContact O-CG 3.22Å; I25-K29 WeakPolarHBondContact O-CG 3.31Å; I25-K29 PolarHBondContact O-N 3.27Å
26	V	52.5	Low	56.2	Low	89 Å²	89	110.9 Å²	110.9	54%	0.539	55%	0.55	S	S	.	*	H	α-helix	trans	-71	-38.5	173.1	168.8	0	0	0	0	111.3	M22 T23 D24 S30	M22-V26 WeakPolarHBondContact O-CB 3.37Å; M22-V26 VanDerWaalsContact O-CG2 3.23Å; M22-V26 WeakPolarHBondContact O-CG2 3.1Å; M22-V26 PolarHBondContact O-N 3.28Å; T23-V26 CarbonylContact O-C 3.58Å; T23-V26 PolarHBondContact O-N 2.85Å; D24-V26 VanDerWaalsContact C-N 3.33Å; D24-V26 PolarHBondContact O-N 3.11Å; V26-S30 WeakPolarHBondContact O-CB 3.44Å; V26-S30 PolarHBondContact O-N 3.42Å
27	W	46.7	Very low	58.2	Low	179 Å²	179	107.4 Å²	107.4	68%	0.678	54%	0.537	S	S	*	.	H	α-helix	trans	-71.2	-37.4	174.4	-90.5	85	0	0	0	112.4	T23 D24 S30 S31	T23-W27 WeakPolarHBondContact O-CB 3.15Å; T23-W27 PolarHBondContact O-N 3.05Å; D24-W27 CarbonylContact O-C 3.56Å; D24-W27 PolarHBondContact O-N 2.98Å; W27-S30 PolarHBondContact O-N 3.4Å; W27-S31 WeakPolarHBondContact O-CA 3.22Å; W27-S31 WeakPolarHBondContact O-CB 3.06Å; W27-S31 PolarHBondContact O-N 2.99Å
28	F	49.1	Very low	60.3	Low	143 Å²	143	107.8 Å²	107.8	63%	0.627	54%	0.539	S	S	*	.	H	α-helix	trans	-68.5	-42.3	173.1	-118.6	-93.7	0	0	0	110.7	D24 S31 I32	D24-F28 VanDerWaalsContact O-CB 3.28Å; D24-F28 WeakPolarHBondContact O-CB 3.45Å; D24-F28 PolarHBondContact O-N 3.04Å; F28-S31 PolarHBondContact O-N 2.76Å; F28-I32 HydrophobicContact CD1-CD1 3.81Å; F28-I32 HydrophobicContact CD1-CG1 4.23Å; F28-I32 HydrophobicContact CE1-CD1 4.48Å; F28-I32 WeakPolarHBondContact O-CB 3.16Å; F28-I32 VanDerWaalsContact O-CG1 3.22Å; F28-I32 WeakPolarHBondContact O-CG1 3.38Å; F28-I32 PolarHBondContact O-N 3.23Å
29	K	55.4	Low	62.3	Low	137 Å²	137	106.3 Å²	106.3	60%	0.596	53%	0.53	S	S	*	.	H	α-helix	trans	-63.5	-43.9	171.8	-76.5	171.3	-179.9	171	0	111.1	I25 V33	I25-K29 HydrophobicContact CG2-CD 4.03Å; I25-K29 VanDerWaalsContact O-CB 3.25Å; I25-K29 WeakPolarHBondContact O-CB 3.17Å; I25-K29 VanDerWaalsContact O-CG 3.22Å; I25-K29 WeakPolarHBondContact O-CG 3.31Å; I25-K29 PolarHBondContact O-N 3.27Å; K29-V33 VanDerWaalsContact O-CB 3.26Å; K29-V33 WeakPolarHBondContact O-CB 3.45Å; K29-V33 WeakPolarHBondContact O-CG2 3.44Å; K29-V33 PolarHBondContact O-N 3.16Å
30	S	58.8	Low	64.3	Low	44 Å²	44	103.2 Å²	103.2	31%	0.308	52%	0.518	S	S	.	.	H	α-helix	trans	-62.4	-42.9	175.7	-169.5	0	0	0	0	111.9	V26 W27 V33 K34	V26-S30 WeakPolarHBondContact O-CB 3.44Å; V26-S30 PolarHBondContact O-N 3.42Å; W27-S30 PolarHBondContact O-N 3.4Å; S30-V33 PolarHBondContact O-N 2.78Å; S30-K34 WeakPolarHBondContact O-CB 3.41Å; S30-K34 WeakPolarHBondContact O-CD 3.25Å; S30-K34 WeakPolarHBondContact O-CG 3.28Å; S30-K34 PolarHBondContact O-N 3.12Å; S30-K34 WeakPolarHBondContact OG-CE 3.17Å; S30-K34 PolarHBondContact OG-NZ 3.05Å
31	S	66.5	Low	66.1	Low	54 Å²	54	100.3 Å²	100.3	38%	0.378	51%	0.512	S	S	.	.	H	α-helix	trans	-72	-45.7	-178.9	-168.9	0	0	0	0	111.4	W27 F28 V33 K34 I35	W27-S31 WeakPolarHBondContact O-CA 3.22Å; W27-S31 WeakPolarHBondContact O-CB 3.06Å; W27-S31 PolarHBondContact O-N 2.99Å; F28-S31 PolarHBondContact O-N 2.76Å; S31-V33 VanDerWaalsContact C-N 3.35Å; S31-V33 PolarHBondContact O-N 3.27Å; S31-K34 PolarHBondContact O-N 2.79Å; S31-I35 WeakPolarHBondContact O-CB 3.46Å; S31-I35 WeakPolarHBondContact O-CD1 3.48Å; S31-I35 WeakPolarHBondContact O-CG1 3.32Å; S31-I35 PolarHBondContact O-N 3.48Å
32	I	75.3	Confident	68	Low	89 Å²	89	98.2 Å²	98.2	46%	0.456	51%	0.506	S	S	.	.	H	α-helix	trans	-57.3	-47.8	170.7	-72.5	170.9	0	0	0	109.9	F28 K34 I35 L36	F28-I32 HydrophobicContact CD1-CD1 3.81Å; F28-I32 HydrophobicContact CD1-CG1 4.23Å; F28-I32 HydrophobicContact CE1-CD1 4.48Å; F28-I32 WeakPolarHBondContact O-CB 3.16Å; F28-I32 VanDerWaalsContact O-CG1 3.22Å; F28-I32 WeakPolarHBondContact O-CG1 3.38Å; F28-I32 PolarHBondContact O-N 3.23Å; I32-K34 PolarHBondContact O-N 2.75Å; I32-I35 PolarHBondContact O-N 2.9Å; I32-L36 VanDerWaalsContact O-CB 3.27Å; I32-L36 WeakPolarHBondContact O-CB 3.34Å; I32-L36 PolarHBondContact O-N 2.96Å
33	V	78.1	Confident	70.1	Confident	81 Å²	81	96.7 Å²	96.7	49%	0.491	50%	0.499	S	S	.	.	H	α-helix	trans	-63.5	-39.6	178.2	168.8	0	0	0	0	111.6	K29 S30 S31 L36 L37	K29-V33 VanDerWaalsContact O-CB 3.26Å; K29-V33 WeakPolarHBondContact O-CB 3.45Å; K29-V33 WeakPolarHBondContact O-CG2 3.44Å; K29-V33 PolarHBondContact O-N 3.16Å; S30-V33 PolarHBondContact O-N 2.78Å; S31-V33 VanDerWaalsContact C-N 3.35Å; S31-V33 PolarHBondContact O-N 3.27Å; V33-L36 PolarHBondContact O-N 3.33Å; V33-L37 HydrophobicContact CG1-CD1 3.84Å; V33-L37 HydrophobicContact CG1-CG 4.37Å; V33-L37 VanDerWaalsContact O-CB 3.28Å; V33-L37 WeakPolarHBondContact O-CB 3.45Å; V33-L37 VanDerWaalsContact O-CG 3.25Å; V33-L37 WeakPolarHBondContact O-CG 3.3Å; V33-L37 PolarHBondContact O-N 3.34Å
34	K	75.8	Confident	72	Confident	119 Å²	119	97.9 Å²	97.9	52%	0.517	50%	0.503	S	S	.	.	H	α-helix	trans	-62.8	-43.7	172.9	-76	159.8	179.6	156.6	0	112.1	S30 S31 I32 L37 F38	S30-K34 WeakPolarHBondContact O-CB 3.41Å; S30-K34 WeakPolarHBondContact O-CD 3.25Å; S30-K34 WeakPolarHBondContact O-CG 3.28Å; S30-K34 PolarHBondContact O-N 3.12Å; S30-K34 WeakPolarHBondContact OG-CE 3.17Å; S30-K34 PolarHBondContact OG-NZ 3.05Å; S31-K34 PolarHBondContact O-N 2.79Å; I32-K34 PolarHBondContact O-N 2.75Å; K34-L37 PolarHBondContact O-N 3.28Å; K34-F38 VanDerWaalsContact O-CB 3.27Å; K34-F38 WeakPolarHBondContact O-CB 3.38Å; K34-F38 PolarHBondContact O-N 3.42Å
35	I	80.7	Confident	73.9	Confident	91 Å²	91	98.3 Å²	98.3	47%	0.467	50%	0.504	S	S	.	.	H	α-helix	trans	-64.8	-43.1	176.6	-70.5	162.7	0	0	0	110.3	S31 I32 F38 I39	S31-I35 WeakPolarHBondContact O-CB 3.46Å; S31-I35 WeakPolarHBondContact O-CD1 3.48Å; S31-I35 WeakPolarHBondContact O-CG1 3.32Å; S31-I35 PolarHBondContact O-N 3.48Å; I32-I35 PolarHBondContact O-N 2.9Å; I35-F38 PolarHBondContact O-N 3.05Å; I35-I39 HydrophobicContact CG2-CD1 3.76Å; I35-I39 HydrophobicContact CG2-CG1 4.47Å; I35-I39 WeakPolarHBondContact O-CB 3.39Å; I35-I39 VanDerWaalsContact O-CG1 3.25Å; I35-I39 WeakPolarHBondContact O-CG1 3.46Å; I35-I39 PolarHBondContact O-N 3.09Å
36	L	81.6	Confident	75.7	Confident	102 Å²	102	98 Å²	98	53%	0.534	51%	0.508	S	S	.	.	H	α-helix	trans	-69	-39.8	179.9	-142.8	163.2	0	0	0	110.8	I32 V33 I39 L40	I32-L36 VanDerWaalsContact O-CB 3.27Å; I32-L36 WeakPolarHBondContact O-CB 3.34Å; I32-L36 PolarHBondContact O-N 2.96Å; V33-L36 PolarHBondContact O-N 3.33Å; L36-I39 PolarHBondContact O-N 3.26Å; L36-L40 VanDerWaalsContact O-CB 3.32Å; L36-L40 WeakPolarHBondContact O-CB 3.3Å; L36-L40 PolarHBondContact O-N 2.97Å
37	L	81.2	Confident	77.3	Confident	111 Å²	111	96.1 Å²	96.1	58%	0.581	50%	0.499	S	S	*	.	H	α-helix	trans	-64.8	-37.4	170.2	-75.7	168.5	0	0	0	112.5	V33 K34 L40 G41	V33-L37 HydrophobicContact CG1-CD1 3.84Å; V33-L37 HydrophobicContact CG1-CG 4.37Å; V33-L37 VanDerWaalsContact O-CB 3.28Å; V33-L37 WeakPolarHBondContact O-CB 3.45Å; V33-L37 VanDerWaalsContact O-CG 3.25Å; V33-L37 WeakPolarHBondContact O-CG 3.3Å; V33-L37 PolarHBondContact O-N 3.34Å; K34-L37 PolarHBondContact O-N 3.28Å; L37-L40 PolarHBondContact O-N 3.42Å; L37-G41 PolarHBondContact O-N 2.76Å
38	F	83.9	Confident	79.3	Confident	146 Å²	146	91.7 Å²	91.7	64%	0.64	49%	0.488	S	S	*	.	H	α-helix	trans	-68.6	-40.7	175.5	-177.6	-94.6	0	0	0	111.8	K34 I35 G41 T42	K34-F38 VanDerWaalsContact O-CB 3.27Å; K34-F38 WeakPolarHBondContact O-CB 3.38Å; K34-F38 PolarHBondContact O-N 3.42Å; I35-F38 PolarHBondContact O-N 3.05Å; F38-G41 PolarHBondContact O-N 3.2Å; F38-T42 HydrophobicContact CD1-CG2 4.31Å; F38-T42 HydrophobicContact CE1-CG2 3.91Å; F38-T42 HydrophobicContact CE2-CG2 4.35Å; F38-T42 HydrophobicContact CZ-CG2 3.94Å; F38-T42 WeakPolarHBondContact O-CB 3.38Å; F38-T42 WeakPolarHBondContact O-CG2 3.46Å; F38-T42 PolarHBondContact O-N 3.23Å; F38-T42 PolarHBondContact O-OG1 2.8Å
39	I	88.1	Confident	81.1	Confident	85 Å²	85	88.7 Å²	88.7	44%	0.436	48%	0.481	S	S	.	.	H	α-helix	trans	-63.6	-45	172.4	-70.4	165.5	0	0	0	110	I35 L36 G41 T42 I43	I35-I39 HydrophobicContact CG2-CD1 3.76Å; I35-I39 HydrophobicContact CG2-CG1 4.47Å; I35-I39 WeakPolarHBondContact O-CB 3.39Å; I35-I39 VanDerWaalsContact O-CG1 3.25Å; I35-I39 WeakPolarHBondContact O-CG1 3.46Å; I35-I39 PolarHBondContact O-N 3.09Å; L36-I39 PolarHBondContact O-N 3.26Å; I39-G41 PolarHBondContact O-N 3.21Å; I39-T42 WeakPolarHBondContact CA-OG1 3.38Å; I39-T42 PolarHBondContact O-N 3.46Å; I39-T42 PolarHBondContact O-OG1 3.41Å; I39-T42 VanDerWaalsContact O-OG1 3.05Å; I39-I43 HydrophobicContact CG2-CD1 3.72Å; I39-I43 HydrophobicContact CG2-CG1 4.5Å; I39-I43 WeakPolarHBondContact O-CB 3.43Å; I39-I43 WeakPolarHBondContact O-CD1 3.26Å; I39-I43 WeakPolarHBondContact O-CG1 3.35Å; I39-I43 PolarHBondContact O-N 2.89Å
40	L	88	Confident	82.7	Confident	103 Å²	103	86.8 Å²	86.8	54%	0.539	48%	0.477	S	S	.	.	H	α-helix	trans	-63.8	-43.5	177.8	-155	79.7	0	0	0	111.4	L36 L37 I43 L44	L36-L40 VanDerWaalsContact O-CB 3.32Å; L36-L40 WeakPolarHBondContact O-CB 3.3Å; L36-L40 PolarHBondContact O-N 2.97Å; L37-L40 PolarHBondContact O-N 3.42Å; L40-I43 PolarHBondContact O-N 2.71Å; L40-L44 VanDerWaalsContact O-CB 3.24Å; L40-L44 WeakPolarHBondContact O-CB 3.22Å; L40-L44 PolarHBondContact O-N 2.84Å
41	G	84.5	Confident	84	Confident	39 Å²	39	87.2 Å²	87.2	40%	0.402	48%	0.475	S	S	.	.	H	α-helix	trans	-66.6	-38.3	178	0	0	0	0	0	113.4	L37 F38 I39 L44 L45	L37-G41 PolarHBondContact O-N 2.76Å; F38-G41 PolarHBondContact O-N 3.2Å; I39-G41 PolarHBondContact O-N 3.21Å; G41-L44 PolarHBondContact O-N 3.41Å; G41-L45 VanDerWaalsContact O-CB 3.3Å; G41-L45 WeakPolarHBondContact O-CB 3.27Å; G41-L45 PolarHBondContact O-N 3.41Å
42	T	87.5	Confident	84.9	Confident	58 Å²	58	89.7 Å²	89.7	36%	0.356	48%	0.484	S	S	.	.	H	α-helix	trans	-71.4	-39.6	174.2	47.8	0	0	0	0	111.9	F38 I39 L44 L45 C46	F38-T42 HydrophobicContact CD1-CG2 4.31Å; F38-T42 HydrophobicContact CE1-CG2 3.91Å; F38-T42 HydrophobicContact CE2-CG2 4.35Å; F38-T42 HydrophobicContact CZ-CG2 3.94Å; F38-T42 WeakPolarHBondContact O-CB 3.38Å; F38-T42 WeakPolarHBondContact O-CG2 3.46Å; F38-T42 PolarHBondContact O-N 3.23Å; F38-T42 PolarHBondContact O-OG1 2.8Å; I39-T42 WeakPolarHBondContact CA-OG1 3.38Å; I39-T42 PolarHBondContact O-N 3.46Å; I39-T42 PolarHBondContact O-OG1 3.41Å; I39-T42 VanDerWaalsContact O-OG1 3.05Å; T42-L44 VanDerWaalsContact C-N 3.33Å; T42-L44 PolarHBondContact O-N 2.68Å; T42-L45 PolarHBondContact O-N 3.46Å; T42-C46 WeakPolarHBondContact O-CB 3.26Å; T42-C46 PolarHBondContact O-N 3.28Å; T42-C46 PolarHBondContact O-SG 3.29Å; T42-C46 VanDerWaalsContact O-SG 3.34Å
43	I	89.6	Confident	85.4	Confident	104 Å²	104	90.5 Å²	90.5	53%	0.533	49%	0.488	S	S	.	.	H	α-helix	trans	-59.2	-43.9	170.7	-71	166.6	0	0	0	111	I39 L40 C46 S47	I39-I43 HydrophobicContact CG2-CD1 3.72Å; I39-I43 HydrophobicContact CG2-CG1 4.5Å; I39-I43 WeakPolarHBondContact O-CB 3.43Å; I39-I43 WeakPolarHBondContact O-CD1 3.26Å; I39-I43 WeakPolarHBondContact O-CG1 3.35Å; I39-I43 PolarHBondContact O-N 2.89Å; L40-I43 PolarHBondContact O-N 2.71Å; I43-C46 PolarHBondContact O-N 3.41Å; I43-S47 PolarHBondContact O-N 3.49Å
44	L	88.7	Confident	85.7	Confident	99 Å²	99	86.9 Å²	86.9	52%	0.518	47%	0.467	S	S	.	.	H	α-helix	trans	-70.5	-37.8	-179.6	-167.6	152	0	0	0	112.1	L40 G41 T42 S47 I48	L40-L44 VanDerWaalsContact O-CB 3.24Å; L40-L44 WeakPolarHBondContact O-CB 3.22Å; L40-L44 PolarHBondContact O-N 2.84Å; G41-L44 PolarHBondContact O-N 3.41Å; T42-L44 VanDerWaalsContact C-N 3.33Å; T42-L44 PolarHBondContact O-N 2.68Å; L44-S47 PolarHBondContact O-N 2.76Å; L44-S47 PolarHBondContact O-OG 2.87Å; L44-I48 HydrophobicContact CD2-CD1 3.65Å; L44-I48 HydrophobicContact CD2-CG1 4.39Å; L44-I48 WeakPolarHBondContact O-CG1 3.45Å; L44-I48 PolarHBondContact O-N 3.1Å
45	L	87.9	Confident	86	Confident	112 Å²	112	82.4 Å²	82.4	59%	0.586	45%	0.45	S	S	*	.	H	α-helix	trans	-66.9	-41.2	172.6	-171.9	147.5	0	0	0	111.3	G41 T42 S47 I48 V49	G41-L45 VanDerWaalsContact O-CB 3.3Å; G41-L45 WeakPolarHBondContact O-CB 3.27Å; G41-L45 PolarHBondContact O-N 3.41Å; T42-L45 PolarHBondContact O-N 3.46Å; L45-S47 VanDerWaalsContact C-N 3.34Å; L45-S47 PolarHBondContact O-N 3.44Å; L45-I48 PolarHBondContact O-N 3.03Å; L45-V49 HydrophobicContact CD2-CG2 4.18Å; L45-V49 WeakPolarHBondContact O-CG2 3.19Å; L45-V49 PolarHBondContact O-N 3.32Å
46	C	89.1	Confident	86.1	Confident	72 Å²	72	81 Å²	81	49%	0.486	45%	0.452	S	S	.	.	H	α-helix	trans	-62.3	-38.6	172.6	-76	0	0	0	0	112.4	T42 I43 V49 L50	T42-C46 WeakPolarHBondContact O-CB 3.26Å; T42-C46 PolarHBondContact O-N 3.28Å; T42-C46 PolarHBondContact O-SG 3.29Å; T42-C46 VanDerWaalsContact O-SG 3.34Å; I43-C46 PolarHBondContact O-N 3.41Å; C46-V49 PolarHBondContact O-N 3.42Å; C46-L50 WeakPolarHBondContact O-CB 3.2Å; C46-L50 VanDerWaalsContact O-CG 3.25Å; C46-L50 WeakPolarHBondContact O-CG 3.25Å; C46-L50 PolarHBondContact O-N 3.12Å
47	S	87.7	Confident	86.1	Confident	51 Å²	51	78.9 Å²	78.9	36%	0.357	44%	0.441	S	S	.	.	H	α-helix	trans	-67.7	-41.9	177.1	75.8	0	0	0	0	111.7	I43 L44 L45 V49 L50 I51	I43-S47 PolarHBondContact O-N 3.49Å; L44-S47 PolarHBondContact O-N 2.76Å; L44-S47 PolarHBondContact O-OG 2.87Å; L45-S47 VanDerWaalsContact C-N 3.34Å; L45-S47 PolarHBondContact O-N 3.44Å; S47-V49 PolarHBondContact O-N 2.75Å; S47-L50 PolarHBondContact O-N 2.68Å; S47-I51 WeakPolarHBondContact O-CB 3.28Å; S47-I51 WeakPolarHBondContact O-CD1 3.34Å; S47-I51 WeakPolarHBondContact O-CG1 3.3Å; S47-I51 PolarHBondContact O-N 2.88Å
48	I	87.2	Confident	86	Confident	85 Å²	85	74.1 Å²	74.1	44%	0.436	42%	0.416	S	S	.	.	H	α-helix	trans	-58.5	-47.4	172.4	-69	170	0	0	0	111	L44 L45 L50 I51 L52	L44-I48 HydrophobicContact CD2-CD1 3.65Å; L44-I48 HydrophobicContact CD2-CG1 4.39Å; L44-I48 WeakPolarHBondContact O-CG1 3.45Å; L44-I48 PolarHBondContact O-N 3.1Å; L45-I48 PolarHBondContact O-N 3.03Å; I48-L50 VanDerWaalsContact C-N 3.34Å; I48-L50 PolarHBondContact O-N 2.86Å; I48-I51 PolarHBondContact O-N 3.23Å; I48-L52 HydrophobicContact CG2-CD1 3.9Å; I48-L52 HydrophobicContact CG2-CG 4.38Å; I48-L52 WeakPolarHBondContact O-CB 3.27Å; I48-L52 WeakPolarHBondContact O-CG 3.21Å; I48-L52 PolarHBondContact O-N 2.85Å
49	V	88.4	Confident	85.6	Confident	81 Å²	81	73 Å²	73	49%	0.491	41%	0.413	S	S	.	.	H	α-helix	trans	-62.2	-40.5	178.2	170.3	0	0	0	0	111.5	L45 C46 S47 L52 L53	L45-V49 HydrophobicContact CD2-CG2 4.18Å; L45-V49 WeakPolarHBondContact O-CG2 3.19Å; L45-V49 PolarHBondContact O-N 3.32Å; C46-V49 PolarHBondContact O-N 3.42Å; S47-V49 PolarHBondContact O-N 2.75Å; V49-L52 PolarHBondContact O-N 3.06Å; V49-L53 VanDerWaalsContact O-CB 3.28Å; V49-L53 WeakPolarHBondContact O-CB 3.37Å; V49-L53 PolarHBondContact O-N 3.1Å
50	L	87.8	Confident	85.1	Confident	96 Å²	96	71.4 Å²	71.4	50%	0.503	41%	0.407	S	S	.	.	H	α-helix	trans	-66.5	-39.8	176	-73.5	168.4	0	0	0	112.5	C46 S47 I48 L53 A54 L99	C46-L50 WeakPolarHBondContact O-CB 3.2Å; C46-L50 VanDerWaalsContact O-CG 3.25Å; C46-L50 WeakPolarHBondContact O-CG 3.25Å; C46-L50 PolarHBondContact O-N 3.12Å; S47-L50 PolarHBondContact O-N 2.68Å; I48-L50 VanDerWaalsContact C-N 3.34Å; I48-L50 PolarHBondContact O-N 2.86Å; L50-L53 PolarHBondContact O-N 2.81Å; L50-A54 VanDerWaalsContact O-CB 3.26Å; L50-A54 WeakPolarHBondContact O-CB 3.37Å; L50-A54 PolarHBondContact O-N 3.3Å; L50-L99 HydrophobicContact CB-CD2 3.88Å
51	I	87.6	Confident	84.4	Confident	53 Å²	53	69.9 Å²	69.9	27%	0.272	41%	0.405	S	S	.	.	H	α-helix	trans	-64.2	-46.1	175.5	-70.5	163.8	0	0	0	110.6	S47 I48 L53 A54 T55 L99 I101	S47-I51 WeakPolarHBondContact O-CB 3.28Å; S47-I51 WeakPolarHBondContact O-CD1 3.34Å; S47-I51 WeakPolarHBondContact O-CG1 3.3Å; S47-I51 PolarHBondContact O-N 2.88Å; I48-I51 PolarHBondContact O-N 3.23Å; I51-L53 PolarHBondContact O-N 3.27Å; I51-A54 PolarHBondContact O-N 2.96Å; I51-T55 WeakPolarHBondContact O-CB 3.27Å; I51-T55 PolarHBondContact O-N 2.97Å; I51-T55 PolarHBondContact O-OG1 3.38Å; I51-L99 HydrophobicContact CG1-CG 4.12Å; I51-I101 HydrophobicContact CG2-CD1 3.75Å; I51-I101 HydrophobicContact CG2-CG1 3.62Å
52	L	84.9	Confident	84.1	Confident	107 Å²	107	74.7 Å²	74.7	56%	0.56	41%	0.411	S	S	*	.	H	α-helix	trans	-62.2	-42.7	175.9	-71.4	172.1	0	0	0	111.6	I48 V49 T55 A56	I48-L52 HydrophobicContact CG2-CD1 3.9Å; I48-L52 HydrophobicContact CG2-CG 4.38Å; I48-L52 WeakPolarHBondContact O-CB 3.27Å; I48-L52 WeakPolarHBondContact O-CG 3.21Å; I48-L52 PolarHBondContact O-N 2.85Å; V49-L52 PolarHBondContact O-N 3.06Å; L52-T55 PolarHBondContact O-N 2.78Å; L52-A56 WeakPolarHBondContact O-CB 3.32Å; L52-A56 PolarHBondContact O-N 3.22Å
53	L	85	Confident	83.8	Confident	105 Å²	105	72 Å²	72	55%	0.55	40%	0.395	S	S	.	.	H	α-helix	trans	-66.3	-41.3	177.2	-165	76.6	0	0	0	111.9	V49 L50 I51 A56 L57	V49-L53 VanDerWaalsContact O-CB 3.28Å; V49-L53 WeakPolarHBondContact O-CB 3.37Å; V49-L53 PolarHBondContact O-N 3.1Å; L50-L53 PolarHBondContact O-N 2.81Å; I51-L53 PolarHBondContact O-N 3.27Å; L53-A56 PolarHBondContact O-N 3.08Å; L53-L57 HydrophobicContact CG-CD1 4.33Å; L53-L57 WeakPolarHBondContact O-CB 3.34Å; L53-L57 WeakPolarHBondContact O-CD1 3.3Å; L53-L57 VanDerWaalsContact O-CG 3.23Å; L53-L57 WeakPolarHBondContact O-CG 3.37Å; L53-L57 PolarHBondContact O-N 2.88Å
54	A	84.1	Confident	83.2	Confident	6 Å²	6	70.3 Å²	70.3	5%	0.05	39%	0.386	C	S	.	.	H	α-helix	trans	-63	-43.7	175	0	0	0	0	0	111.5	L50 I51 L57 T58 V96 L99 A100	L50-A54 VanDerWaalsContact O-CB 3.26Å; L50-A54 WeakPolarHBondContact O-CB 3.37Å; L50-A54 PolarHBondContact O-N 3.3Å; I51-A54 PolarHBondContact O-N 2.96Å; A54-L57 WeakPolarHBondContact O-CB 3.32Å; A54-L57 PolarHBondContact O-N 3.03Å; A54-T58 PolarHBondContact O-N 3.32Å; A54-T58 PolarHBondContact O-OG1 3.33Å; A54-V96 HydrophobicContact CB-CG1 4.28Å; A54-L99 HydrophobicContact CB-CB 4.02Å; A54-L99 HydrophobicContact CB-CD2 4.25Å; A54-A100 HydrophobicContact CB-CB 4.34Å
55	T	82.3	Confident	82.4	Confident	24 Å²	24	69.5 Å²	69.5	15%	0.147	38%	0.376	C	S	.	.	H	α-helix	trans	-65.2	-45.5	177.4	-49.3	0	0	0	0	111.2	I51 L52 L57 T58 H59 A100 I101	I51-T55 WeakPolarHBondContact O-CB 3.27Å; I51-T55 PolarHBondContact O-N 2.97Å; I51-T55 PolarHBondContact O-OG1 3.38Å; L52-T55 PolarHBondContact O-N 2.78Å; T55-L57 PolarHBondContact O-N 3.45Å; T55-T58 PolarHBondContact O-N 2.76Å; T55-T58 PolarHBondContact O-OG1 3.22Å; T55-H59 PolarHBondContact O-CD2 2.76Å; T55-H59 VanDerWaalsContact O-CD2 3.28Å; T55-H59 PolarHBondContact O-N 2.78Å; T55-A100 WeakPolarHBondContact OG1-CA 3.36Å; T55-I101 HydrophobicContact CG2-CB 4.37Å; T55-I101 PolarHBondContact OG1-N 2.68Å
56	A	82.6	Confident	81.9	Confident	61 Å²	61	66.9 Å²	66.9	50%	0.504	36%	0.36	S	S	.	.	H	α-helix	trans	-58.4	-38.8	172.5	0	0	0	0	0	111.8	L52 L53 T60	L52-A56 WeakPolarHBondContact O-CB 3.32Å; L52-A56 PolarHBondContact O-N 3.22Å; L53-A56 PolarHBondContact O-N 3.08Å; A56-T60 WeakPolarHBondContact O-CG2 3.25Å; A56-T60 PolarHBondContact O-N 3.37Å
57	L	81.5	Confident	81.3	Confident	59 Å²	59	68.6 Å²	68.6	31%	0.309	36%	0.356	S	S	.	.	H	α-helix	trans	-68	-44.4	177.1	-78.7	167	0	0	0	113.3	L53 A54 T55 H59 T60 F63 V96	L53-L57 HydrophobicContact CG-CD1 4.33Å; L53-L57 WeakPolarHBondContact O-CB 3.34Å; L53-L57 WeakPolarHBondContact O-CD1 3.3Å; L53-L57 VanDerWaalsContact O-CG 3.23Å; L53-L57 WeakPolarHBondContact O-CG 3.37Å; L53-L57 PolarHBondContact O-N 2.88Å; A54-L57 WeakPolarHBondContact O-CB 3.32Å; A54-L57 PolarHBondContact O-N 3.03Å; T55-L57 PolarHBondContact O-N 3.45Å; L57-H59 VanDerWaalsContact C-N 3.33Å; L57-H59 PolarHBondContact O-N 3.45Å; L57-T60 WeakPolarHBondContact O-CB 3.37Å; L57-T60 PolarHBondContact O-N 2.78Å; L57-T60 PolarHBondContact O-OG1 3.25Å; L57-F63 WeakPolarHBondContact O-CB 3.32Å; L57-V96 HydrophobicContact CB-CG1 4.37Å
58	T	80.1	Confident	80.7	Confident	11 Å²	11	74.5 Å²	74.5	7%	0.067	37%	0.37	C	S	.	.	H	α-helix	trans	-64.6	-36.9	179.5	54.1	0	0	0	0	112.1	A54 T55 T60 F63 V96 E97 A100	A54-T58 PolarHBondContact O-N 3.32Å; A54-T58 PolarHBondContact O-OG1 3.33Å; T55-T58 PolarHBondContact O-N 2.76Å; T55-T58 PolarHBondContact O-OG1 3.22Å; T58-T60 PolarHBondContact O-N 2.84Å; T58-F63 HydrophobicContact CG2-CD1 4.24Å; T58-F63 HydrophobicContact CG2-CE1 3.94Å; T58-F63 HydrophobicContact CG2-CZ 4.33Å; T58-V96 HydrophobicContact CG2-CG1 4.02Å; T58-E97 HydrophobicContact CG2-CG 4.09Å; T58-A100 HydrophobicContact CG2-CB 3.62Å
59	H	75.2	Confident	80	Confident	123 Å²	123	73.2 Å²	73.2	57%	0.569	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-12.2	172.1	-79.6	-94.1	0	0	0	113.8	T55 L57	T55-H59 PolarHBondContact O-CD2 2.76Å; T55-H59 VanDerWaalsContact O-CD2 3.28Å; T55-H59 PolarHBondContact O-N 2.78Å; L57-H59 VanDerWaalsContact C-N 3.33Å; L57-H59 PolarHBondContact O-N 3.45Å
60	T	77.9	Confident	79.3	Confident	50 Å²	50	69.6 Å²	69.6	31%	0.307	35%	0.347	S	S	.	.	S	Bend	trans	-71.3	135.5	174.6	70.6	0	0	0	0	112.6	A56 L57 T58 W62 F63 I64	A56-T60 WeakPolarHBondContact O-CG2 3.25Å; A56-T60 PolarHBondContact O-N 3.37Å; L57-T60 WeakPolarHBondContact O-CB 3.37Å; L57-T60 PolarHBondContact O-N 2.78Å; L57-T60 PolarHBondContact O-OG1 3.25Å; T58-T60 PolarHBondContact O-N 2.84Å; T60-W62 PolarHBondContact O-N 3.5Å; T60-W62 VanDerWaalsContact O-N 3.1Å; T60-F63 PolarHBondContact O-N 3.17Å; T60-F63 VanDerWaalsContact O-N 3.09Å; T60-F63 WeakPolarHBondContact OG1-CB 3.43Å; T60-F63 PolarHBondContact OG1-N 2.78Å; T60-I64 PolarHBondContact O-N 2.84Å
61	S	73	Confident	78.5	Confident	72 Å²	72	68.5 Å²	68.5	50%	0.503	34%	0.339	S	S	.	.	H	α-helix	trans	-59.1	-22.9	171	66.9	0	0	0	0	113.4	R65	S61-R65 VanDerWaalsContact O-CB 3.3Å; S61-R65 WeakPolarHBondContact O-CB 3.3Å; S61-R65 VanDerWaalsContact O-CD 3.29Å; S61-R65 WeakPolarHBondContact O-CD 3.44Å; S61-R65 WeakPolarHBondContact O-CG 3.4Å; S61-R65 PolarHBondContact O-N 3.07Å; S61-R65 VanDerWaalsContact O-N 3.08Å
62	W	78.8	Confident	77.7	Confident	140 Å²	140	73.1 Å²	73.1	53%	0.53	36%	0.357	S	S	.	.	H	α-helix	trans	-64.8	-50.5	172.3	177.6	89.6	0	0	0	111.7	T60 R65 K66	T60-W62 PolarHBondContact O-N 3.5Å; T60-W62 VanDerWaalsContact O-N 3.1Å; W62-R65 PolarHBondContact O-N 3.4Å; W62-K66 HydrophobicContact CE3-CD 4.46Å; W62-K66 HydrophobicContact CH2-CD 3.75Å; W62-K66 HydrophobicContact CZ2-CD 3.74Å; W62-K66 HydrophobicContact CZ3-CD 4.1Å; W62-K66 WeakPolarHBondContact O-CB 3.38Å; W62-K66 PolarHBondContact O-N 3.09Å
63	F	81.3	Confident	76.9	Confident	2 Å²	2	74.4 Å²	74.4	1%	0.009	35%	0.354	C	S	.	.	H	α-helix	trans	-63.1	-45.9	-178.3	-171.2	-90.1	0	0	0	111.2	L57 T58 T60 R65 K66 R67 C93 V96 E97	L57-F63 WeakPolarHBondContact O-CB 3.32Å; T58-F63 HydrophobicContact CG2-CD1 4.24Å; T58-F63 HydrophobicContact CG2-CE1 3.94Å; T58-F63 HydrophobicContact CG2-CZ 4.33Å; T60-F63 PolarHBondContact O-N 3.17Å; T60-F63 VanDerWaalsContact O-N 3.09Å; T60-F63 WeakPolarHBondContact OG1-CB 3.43Å; T60-F63 PolarHBondContact OG1-N 2.78Å; F63-R65 PolarHBondContact O-N 2.62Å; F63-K66 WeakPolarHBondContact O-CB 3.39Å; F63-K66 PolarHBondContact O-N 2.95Å; F63-K66 VanDerWaalsContact O-N 3.08Å; F63-R67 PolarHBondContact O-N 2.98Å; F63-C93 HydrophobicContact CE2-CB 4.43Å; F63-C93 HydrophobicContact CZ-CB 4.07Å; F63-V96 HydrophobicContact CD2-CG1 4.32Å; F63-V96 HydrophobicContact CE2-CB 3.82Å; F63-V96 HydrophobicContact CE2-CG1 3.57Å; F63-V96 HydrophobicContact CE2-CG2 4.47Å; F63-V96 HydrophobicContact CZ-CB 3.92Å; F63-V96 HydrophobicContact CZ-CG1 3.78Å; F63-E97 HydrophobicContact CE1-CG 3.55Å; F63-E97 HydrophobicContact CZ-CG 3.79Å
64	I	76.2	Confident	76.1	Confident	68 Å²	68	71.8 Å²	71.8	35%	0.349	34%	0.341	S	S	.	.	H	α-helix	trans	-58.7	-45	175.9	-60.4	170.2	0	0	0	111.4	T60 K66 R68	T60-I64 PolarHBondContact O-N 2.84Å; I64-K66 VanDerWaalsContact C-N 3.33Å; I64-K66 PolarHBondContact O-N 2.84Å; I64-R68 VanDerWaalsContact O-CG 3.31Å; I64-R68 WeakPolarHBondContact O-CG 3.41Å; I64-R68 PolarHBondContact O-N 3.2Å
65	R	71.9	Confident	75.3	Confident	81 Å²	81	77.8 Å²	77.8	31%	0.306	37%	0.372	S	S	.	.	H	α-helix	trans	-62.4	-39.6	175.2	-74.5	167.4	-174.4	-178.8	2.3	111.4	S61 W62 F63 S69 G788	S61-R65 VanDerWaalsContact O-CB 3.3Å; S61-R65 WeakPolarHBondContact O-CB 3.3Å; S61-R65 VanDerWaalsContact O-CD 3.29Å; S61-R65 WeakPolarHBondContact O-CD 3.44Å; S61-R65 WeakPolarHBondContact O-CG 3.4Å; S61-R65 PolarHBondContact O-N 3.07Å; S61-R65 VanDerWaalsContact O-N 3.08Å; W62-R65 PolarHBondContact O-N 3.4Å; F63-R65 PolarHBondContact O-N 2.62Å; R65-S69 PolarHBondContact O-N 2.74Å; R65-S69 VanDerWaalsContact O-N 3.08Å; R65-G788 PolarHBondContact NH2-O 2.95Å
66	K	77.7	Confident	74.3	Confident	57 Å²	57	84 Å²	84	25%	0.248	40%	0.403	C	S	.	.	H	α-helix	trans	-69.4	-48.5	-179.1	-156	176.2	-173.4	-172.3	0	111.9	W62 F63 I64 R68 S69 I70	W62-K66 HydrophobicContact CE3-CD 4.46Å; W62-K66 HydrophobicContact CH2-CD 3.75Å; W62-K66 HydrophobicContact CZ2-CD 3.74Å; W62-K66 HydrophobicContact CZ3-CD 4.1Å; W62-K66 WeakPolarHBondContact O-CB 3.38Å; W62-K66 PolarHBondContact O-N 3.09Å; F63-K66 WeakPolarHBondContact O-CB 3.39Å; F63-K66 PolarHBondContact O-N 2.95Å; F63-K66 VanDerWaalsContact O-N 3.08Å; I64-K66 VanDerWaalsContact C-N 3.33Å; I64-K66 PolarHBondContact O-N 2.84Å; K66-R68 PolarHBondContact O-N 2.83Å; K66-S69 WeakPolarHBondContact O-CB 3.4Å; K66-S69 PolarHBondContact O-N 3.23Å; K66-I70 HydrophobicContact CG-CD1 4.34Å; K66-I70 WeakPolarHBondContact O-CG1 3.41Å; K66-I70 PolarHBondContact O-N 3.34Å
67	R	77	Confident	73.1	Confident	108 Å²	108	82.5 Å²	82.5	41%	0.408	39%	0.389	S	S	.	.	H	α-helix	trans	-54	-48.5	174	178.7	174.7	177	-158.5	4.3	111.9	F63 S69 I70 H71 E97	F63-R67 PolarHBondContact O-N 2.98Å; R67-S69 VanDerWaalsContact C-N 3.31Å; R67-S69 PolarHBondContact O-N 2.7Å; R67-I70 PolarHBondContact O-N 3.22Å; R67-H71 PolarHBondContact O-N 3.04Å; R67-H71 PolarHBondContact O-ND1 2.9Å; R67-E97 WeakPolarHBondContact CD-OE1 3.45Å; R67-E97 WeakPolarHBondContact CD-OE2 3.44Å; R67-E97 VanDerWaalsContact CZ-CD 3.44Å; R67-E97 IonicContact CZ-OE1 2.81Å; R67-E97 IonicContact CZ-OE2 3.33Å; R67-E97 IonicContact NE-OE1 3.75Å; R67-E97 PolarHBondContact NE-OE1 3.15Å; R67-E97 IonicContact NE-OE2 3.75Å; R67-E97 PolarHBondContact NE-OE2 2.94Å; R67-E97 VanDerWaalsContact NH1-CD 3.33Å; R67-E97 IonicContact NH1-OE1 2.79Å; R67-E97 PolarHBondContact NH1-OE1 2.88Å; R67-E97 IonicContact NH1-OE2 3.68Å; R67-E97 PolarHBondContact NH1-OE2 2.99Å; R67-E97 IonicContact NH2-OE2 2.81Å; R67-E97 PolarHBondContact NH2-OE2 3.17Å
68	R	74.5	Confident	71.7	Confident	175 Å²	175	86.7 Å²	86.7	66%	0.66	41%	0.412	S	S	*	.	H	α-helix	trans	-62.1	-35.8	176.4	-69.8	177.5	-170	-171.5	4.2	112.5	I64 K66 K72	I64-R68 VanDerWaalsContact O-CG 3.31Å; I64-R68 WeakPolarHBondContact O-CG 3.41Å; I64-R68 PolarHBondContact O-N 3.2Å; K66-R68 PolarHBondContact O-N 2.83Å; R68-K72 WeakPolarHBondContact O-CG 3.36Å; R68-K72 PolarHBondContact O-N 2.81Å
69	S	72.5	Confident	70.3	Confident	58 Å²	58	97.9 Å²	97.9	41%	0.406	45%	0.453	S	S	.	.	H	α-helix	trans	-71.6	-32.2	176.4	-170.7	0	0	0	0	113.3	R65 K66 R67 R73	R65-S69 PolarHBondContact O-N 2.74Å; R65-S69 VanDerWaalsContact O-N 3.08Å; K66-S69 WeakPolarHBondContact O-CB 3.4Å; K66-S69 PolarHBondContact O-N 3.23Å; R67-S69 VanDerWaalsContact C-N 3.31Å; R67-S69 PolarHBondContact O-N 2.7Å; S69-R73 WeakPolarHBondContact O-CG 3.5Å; S69-R73 PolarHBondContact O-N 3.39Å
70	I	74	Confident	69.2	Low	6 Å²	6	97.3 Å²	97.3	3%	0.031	46%	0.463	C	S	.	.	H	α-helix	trans	-72.6	-46.3	177.5	-65.5	159.9	0	0	0	110.1	K66 R67 K72 R73 L74 L89 Y90	K66-I70 HydrophobicContact CG-CD1 4.34Å; K66-I70 WeakPolarHBondContact O-CG1 3.41Å; K66-I70 PolarHBondContact O-N 3.34Å; R67-I70 PolarHBondContact O-N 3.22Å; I70-K72 PolarHBondContact O-N 3.38Å; I70-R73 WeakPolarHBondContact O-CB 3.45Å; I70-R73 PolarHBondContact O-N 3.39Å; I70-L74 HydrophobicContact CG2-CD1 3.89Å; I70-L74 PolarHBondContact O-N 3.38Å; I70-L89 HydrophobicContact CD1-CB 4.43Å; I70-L89 HydrophobicContact CD1-CD2 3.86Å; I70-L89 HydrophobicContact CD1-CG 3.77Å; I70-L89 HydrophobicContact CG1-CD2 4.06Å; I70-L89 HydrophobicContact CG1-CG 4.43Å; I70-Y90 HydrophobicContact CG2-CD2 4.08Å
71	H	70.8	Confident	68	Low	73 Å²	73	103.8 Å²	103.8	34%	0.338	49%	0.487	S	S	.	.	H	α-helix	trans	-57.2	-48	176	-74.6	68.7	0	0	0	111.1	R67 R73 L74 D75	R67-H71 PolarHBondContact O-N 3.04Å; R67-H71 PolarHBondContact O-ND1 2.9Å; H71-R73 PolarHBondContact O-N 3.04Å; H71-R73 VanDerWaalsContact O-N 3.14Å; H71-L74 WeakPolarHBondContact O-CB 3.41Å; H71-L74 PolarHBondContact O-N 2.94Å; H71-L74 VanDerWaalsContact O-N 3.09Å; H71-D75 PolarHBondContact O-N 2.89Å; H71-D75 VanDerWaalsContact O-OD2 3.12Å
72	K	69.9	Low	67.4	Low	149 Å²	149	102.5 Å²	102.5	65%	0.648	47%	0.474	S	S	*	.	H	α-helix	trans	-60.2	-25.4	174.7	-75	-170.1	174.9	-166.1	0	114.8	R68 I70 L76	R68-K72 WeakPolarHBondContact O-CG 3.36Å; R68-K72 PolarHBondContact O-N 2.81Å; I70-K72 PolarHBondContact O-N 3.38Å; K72-L76 VanDerWaalsContact O-CB 3.3Å; K72-L76 WeakPolarHBondContact O-CB 3.46Å; K72-L76 VanDerWaalsContact O-CD1 3.28Å; K72-L76 WeakPolarHBondContact O-CD1 3.48Å; K72-L76 WeakPolarHBondContact O-CG 3.2Å; K72-L76 PolarHBondContact O-N 2.9Å
73	R	67.8	Low	66.8	Low	134 Å²	134	101.3 Å²	101.3	51%	0.506	47%	0.474	S	S	.	.	H	α-helix	trans	-75.5	-46.6	172.6	-74.4	175	-179.2	-155.6	-3.6	111.1	S69 I70 H71 D75 L76 S77 D86	S69-R73 WeakPolarHBondContact O-CG 3.5Å; S69-R73 PolarHBondContact O-N 3.39Å; I70-R73 WeakPolarHBondContact O-CB 3.45Å; I70-R73 PolarHBondContact O-N 3.39Å; H71-R73 PolarHBondContact O-N 3.04Å; H71-R73 VanDerWaalsContact O-N 3.14Å; R73-D75 VanDerWaalsContact C-N 3.31Å; R73-D75 PolarHBondContact O-N 2.95Å; R73-L76 PolarHBondContact O-N 3.39Å; R73-S77 WeakPolarHBondContact O-CB 3.39Å; R73-S77 PolarHBondContact O-N 2.96Å; R73-S77 PolarHBondContact O-OG 3.22Å; R73-S77 VanDerWaalsContact O-OG 3.1Å; R73-D86 IonicContact CZ-OD1 3.64Å; R73-D86 IonicContact NH1-OD1 3.03Å; R73-D86 PolarHBondContact NH1-OD1 2.76Å; R73-D86 IonicContact NH1-OD2 2.67Å
74	L	68.8	Low	66.5	Low	50 Å²	50	107.7 Å²	107.7	26%	0.262	51%	0.507	S	S	.	.	H	α-helix	trans	-58.1	-42.4	175.9	-70.9	160.2	0	0	0	111.8	I70 H71 S77 L82 Y90	I70-L74 HydrophobicContact CG2-CD1 3.89Å; I70-L74 PolarHBondContact O-N 3.38Å; H71-L74 WeakPolarHBondContact O-CB 3.41Å; H71-L74 PolarHBondContact O-N 2.94Å; H71-L74 VanDerWaalsContact O-N 3.09Å; L74-S77 WeakPolarHBondContact CA-OG 3.34Å; L74-S77 PolarHBondContact O-N 3.13Å; L74-S77 PolarHBondContact O-OG 2.74Å; L74-L82 HydrophobicContact CD2-CD1 4.14Å; L74-L82 HydrophobicContact CD2-CD2 3.62Å; L74-L82 HydrophobicContact CD2-CG 4.5Å; L74-Y90 HydrophobicContact CD1-CD2 3.55Å; L74-Y90 HydrophobicContact CD1-CE2 3.93Å; L74-Y90 HydrophobicContact CD1-CG 4.23Å
75	D	66.9	Low	66.4	Low	133 Å²	133	111.4 Å²	111.4	71%	0.711	52%	0.521	S	S	*	.	H	α-helix	trans	-69.5	-32	177.7	-62.3	-34.5	0	0	0	112.8	H71 R73	H71-D75 PolarHBondContact O-N 2.89Å; H71-D75 VanDerWaalsContact O-OD2 3.12Å; R73-D75 VanDerWaalsContact C-N 3.31Å; R73-D75 PolarHBondContact O-N 2.95Å
76	L	61.4	Low	66.3	Low	153 Å²	153	109.2 Å²	109.2	80%	0.801	52%	0.515	S	S	*	.	H	α-helix	trans	-85.2	-19	178.4	-75.4	171.9	0	0	0	113.3	K72 R73 N78	K72-L76 VanDerWaalsContact O-CB 3.3Å; K72-L76 WeakPolarHBondContact O-CB 3.46Å; K72-L76 VanDerWaalsContact O-CD1 3.28Å; K72-L76 WeakPolarHBondContact O-CD1 3.48Å; K72-L76 WeakPolarHBondContact O-CG 3.2Å; K72-L76 PolarHBondContact O-N 2.9Å; R73-L76 PolarHBondContact O-N 3.39Å; L76-N78 PolarHBondContact O-N 3.27Å
77	S	57.1	Low	66.1	Low	30 Å²	30	111.7 Å²	111.7	21%	0.21	52%	0.523	C	S	.	.	S	Bend	trans	-83.1	105.4	176.3	54.3	0	0	0	0	111.3	R73 L74 R79 L82	R73-S77 WeakPolarHBondContact O-CB 3.39Å; R73-S77 PolarHBondContact O-N 2.96Å; R73-S77 PolarHBondContact O-OG 3.22Å; R73-S77 VanDerWaalsContact O-OG 3.1Å; L74-S77 WeakPolarHBondContact CA-OG 3.34Å; L74-S77 PolarHBondContact O-N 3.13Å; L74-S77 PolarHBondContact O-OG 2.74Å; S77-R79 PolarHBondContact O-N 3.42Å; S77-L82 WeakPolarHBondContact OG-CD1 3.37Å
78	N	52.4	Low	66.2	Low	147 Å²	147	111.9 Å²	111.9	79%	0.786	53%	0.531	S	S	*	.			trans	-52.6	132.4	154.4	-87.5	-25.2	0	0	0	108.4	L76 S80	L76-N78 PolarHBondContact O-N 3.27Å; N78-S80 PolarHBondContact O-N 2.82Å
79	R	52.1	Low	66.3	Low	247 Å²	247	105.9 Å²	105.9	93%	0.932	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	1.1	-154.3	-70.1	-177.8	171.8	-176.5	-3.5	118.4	S77	S77-R79 PolarHBondContact O-N 3.42Å
80	S	50.4	Low	66.6	Low	110 Å²	110	106.9 Å²	106.9	77%	0.769	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-0.7	-173.4	54.9	0	0	0	0	115.7	N78	N78-S80 PolarHBondContact O-N 2.82Å
81	K	54.3	Low	66.9	Low	187 Å²	187	113.4 Å²	113.4	81%	0.813	53%	0.533	S	S	*	.			trans	-142.2	69.1	178.7	-68.5	-167.6	177.4	-173	0	114.2
82	L	58.7	Low	67.4	Low	44 Å²	44	114.3 Å²	114.3	23%	0.23	54%	0.536	C	S	.	.			trans	-96.9	138.9	156	-102.6	95.8	0	0	0	110.2	L74 S77 D86 Y87	L74-L82 HydrophobicContact CD2-CD1 4.14Å; L74-L82 HydrophobicContact CD2-CD2 3.62Å; L74-L82 HydrophobicContact CD2-CG 4.5Å; S77-L82 WeakPolarHBondContact OG-CD1 3.37Å; L82-D86 HydrophobicContact CD2-CB 3.99Å; L82-Y87 HydrophobicContact CB-CD2 3.92Å; L82-Y87 HydrophobicContact CB-CE2 3.51Å; L82-Y87 HydrophobicContact CD2-CD2 3.76Å; L82-Y87 HydrophobicContact CD2-CE1 4.49Å; L82-Y87 HydrophobicContact CD2-CE2 3.69Å; L82-Y87 HydrophobicContact CD2-CG 4.21Å; L82-Y87 HydrophobicContact CG-CD2 4.47Å; L82-Y87 HydrophobicContact CG-CE2 4.12Å
83	E	67.8	Low	67.9	Low	116 Å²	116	107.5 Å²	107.5	54%	0.542	51%	0.507	S	S	.	.			trans	-76.6	146	162	-73.7	-171.1	-152.3	0	0	110.2	K85 D86	E83-K85 PolarHBondContact O-N 2.84Å; E83-K85 IonicContact OE2-NZ 2.73Å; E83-K85 PolarHBondContact OE2-NZ 3.44Å; E83-D86 PolarHBondContact O-N 2.8Å
84	I	73.9	Confident	68.5	Low	135 Å²	135	106.2 Å²	106.2	69%	0.692	51%	0.505	S	S	*	.	H	α-helix	trans	-51.9	-31	175	-64	170.4	0	0	0	111.7	D86 Y87 I88	I84-D86 PolarHBondContact O-N 3.25Å; I84-Y87 WeakPolarHBondContact O-CB 3.24Å; I84-Y87 PolarHBondContact O-N 3.44Å; I84-I88 HydrophobicContact CG2-CD1 3.83Å; I84-I88 HydrophobicContact CG2-CG1 4.25Å; I84-I88 WeakPolarHBondContact O-CG1 3.48Å; I84-I88 PolarHBondContact O-N 3.05Å
85	K	74.8	Confident	69.1	Low	147 Å²	147	107.6 Å²	107.6	64%	0.639	52%	0.516	S	S	*	.	H	α-helix	trans	-60.7	-40.7	177.2	-58.9	179.4	-164.7	127.8	0	113.4	E83 L89	E83-K85 PolarHBondContact O-N 2.84Å; E83-K85 IonicContact OE2-NZ 2.73Å; E83-K85 PolarHBondContact OE2-NZ 3.44Å; K85-L89 WeakPolarHBondContact O-CB 3.34Å; K85-L89 PolarHBondContact O-N 3.47Å
86	D	69.3	Low	69.8	Low	34 Å²	34	102 Å²	102	18%	0.182	49%	0.487	C	S	.	.	H	α-helix	trans	-73.2	-31.1	178.7	-81.7	-39.8	0	0	0	110.8	R73 L82 E83 I84 L89 Y90	R73-D86 IonicContact CZ-OD1 3.64Å; R73-D86 IonicContact NH1-OD1 3.03Å; R73-D86 PolarHBondContact NH1-OD1 2.76Å; R73-D86 IonicContact NH1-OD2 2.67Å; L82-D86 HydrophobicContact CD2-CB 3.99Å; E83-D86 PolarHBondContact O-N 2.8Å; I84-D86 PolarHBondContact O-N 3.25Å; D86-L89 PolarHBondContact O-N 2.86Å; D86-Y90 WeakPolarHBondContact O-CB 3.35Å; D86-Y90 PolarHBondContact O-N 3.26Å
87	Y	74.6	Confident	70.7	Confident	109 Å²	109	96.7 Å²	96.7	43%	0.427	46%	0.458	S	S	.	.	H	α-helix	trans	-64.8	-50.4	169.9	-86	-73.1	0	0	0	112.5	L82 I84 L89 Y90 Y91	L82-Y87 HydrophobicContact CB-CD2 3.92Å; L82-Y87 HydrophobicContact CB-CE2 3.51Å; L82-Y87 HydrophobicContact CD2-CD2 3.76Å; L82-Y87 HydrophobicContact CD2-CE1 4.49Å; L82-Y87 HydrophobicContact CD2-CE2 3.69Å; L82-Y87 HydrophobicContact CD2-CG 4.21Å; L82-Y87 HydrophobicContact CG-CD2 4.47Å; L82-Y87 HydrophobicContact CG-CE2 4.12Å; I84-Y87 WeakPolarHBondContact O-CB 3.24Å; I84-Y87 PolarHBondContact O-N 3.44Å; Y87-L89 PolarHBondContact O-N 3.46Å; Y87-Y90 WeakPolarHBondContact O-CB 3.29Å; Y87-Y90 PolarHBondContact O-N 2.94Å; Y87-Y90 VanDerWaalsContact O-N 3.14Å; Y87-Y91 HydrophobicContact CD1-CE2 4.26Å; Y87-Y91 VanDerWaalsContact O-CD2 3.24Å; Y87-Y91 WeakPolarHBondContact O-CD2 3.2Å; Y87-Y91 PolarHBondContact O-N 3.08Å
88	I	78.4	Confident	71.7	Confident	112 Å²	112	99 Å²	99	57%	0.574	48%	0.479	S	S	*	.	H	α-helix	trans	-56.1	-41.4	176.7	-68.6	168.3	0	0	0	110.2	I84 Y91 F92	I84-I88 HydrophobicContact CG2-CD1 3.83Å; I84-I88 HydrophobicContact CG2-CG1 4.25Å; I84-I88 WeakPolarHBondContact O-CG1 3.48Å; I84-I88 PolarHBondContact O-N 3.05Å; I88-Y91 PolarHBondContact O-N 2.86Å; I88-F92 WeakPolarHBondContact O-CB 3.36Å; I88-F92 PolarHBondContact O-N 3.44Å
89	L	76.1	Confident	73	Confident	50 Å²	50	96 Å²	96	26%	0.262	46%	0.462	S	S	.	.	H	α-helix	trans	-71	-34	179.8	-160.3	68.3	0	0	0	113.2	I70 K85 D86 Y87 C93	I70-L89 HydrophobicContact CD1-CB 4.43Å; I70-L89 HydrophobicContact CD1-CD2 3.86Å; I70-L89 HydrophobicContact CD1-CG 3.77Å; I70-L89 HydrophobicContact CG1-CD2 4.06Å; I70-L89 HydrophobicContact CG1-CG 4.43Å; K85-L89 WeakPolarHBondContact O-CB 3.34Å; K85-L89 PolarHBondContact O-N 3.47Å; D86-L89 PolarHBondContact O-N 2.86Å; Y87-L89 PolarHBondContact O-N 3.46Å; L89-C93 PolarHBondContact O-N 3.04Å; L89-C93 VanDerWaalsContact O-N 3.14Å
90	Y	78.5	Confident	74.5	Confident	79 Å²	79	84.7 Å²	84.7	31%	0.31	42%	0.422	S	S	.	.	H	α-helix	trans	-64.4	-50.2	171.4	174.6	-98.9	0	0	0	111.4	I70 L74 D86 Y87 F92 C93 F94	I70-Y90 HydrophobicContact CG2-CD2 4.08Å; L74-Y90 HydrophobicContact CD1-CD2 3.55Å; L74-Y90 HydrophobicContact CD1-CE2 3.93Å; L74-Y90 HydrophobicContact CD1-CG 4.23Å; D86-Y90 WeakPolarHBondContact O-CB 3.35Å; D86-Y90 PolarHBondContact O-N 3.26Å; Y87-Y90 WeakPolarHBondContact O-CB 3.29Å; Y87-Y90 PolarHBondContact O-N 2.94Å; Y87-Y90 VanDerWaalsContact O-N 3.14Å; Y90-F92 VanDerWaalsContact C-N 3.34Å; Y90-F92 PolarHBondContact O-N 3.05Å; Y90-C93 PolarHBondContact O-N 2.93Å; Y90-F94 PolarHBondContact O-N 3.04Å
91	Y	79.9	Confident	75.6	Confident	142 Å²	142	85 Å²	85	56%	0.557	41%	0.414	S	S	*	.	H	α-helix	trans	-61.1	-41	177.1	-77.8	-66.4	0	0	0	112.1	Y87 I88 C93 F94 T95	Y87-Y91 HydrophobicContact CD1-CE2 4.26Å; Y87-Y91 VanDerWaalsContact O-CD2 3.24Å; Y87-Y91 WeakPolarHBondContact O-CD2 3.2Å; Y87-Y91 PolarHBondContact O-N 3.08Å; I88-Y91 PolarHBondContact O-N 2.86Å; Y91-C93 PolarHBondContact O-N 2.85Å; Y91-F94 PolarHBondContact O-N 2.84Å; Y91-T95 PolarHBondContact O-N 2.91Å; Y91-T95 PolarHBondContact O-OG1 3.48Å; Y91-T95 VanDerWaalsContact O-OG1 3.04Å
92	F	82.8	Confident	75.9	Confident	93 Å²	93	80 Å²	80	41%	0.408	40%	0.396	S	S	.	.	H	α-helix	trans	-56.7	-48.3	173.6	175.3	-93.8	0	0	0	112.2	I88 Y90 F94 T95 V96	I88-F92 WeakPolarHBondContact O-CB 3.36Å; I88-F92 PolarHBondContact O-N 3.44Å; Y90-F92 VanDerWaalsContact C-N 3.34Å; Y90-F92 PolarHBondContact O-N 3.05Å; F92-F94 PolarHBondContact O-N 2.8Å; F92-T95 WeakPolarHBondContact CA-OG1 3.34Å; F92-T95 PolarHBondContact O-N 2.85Å; F92-T95 PolarHBondContact O-OG1 2.87Å; F92-V96 HydrophobicContact CE1-CG2 4.1Å; F92-V96 HydrophobicContact CE2-CG2 4.15Å; F92-V96 HydrophobicContact CZ-CG2 3.89Å; F92-V96 WeakPolarHBondContact O-CG2 3.35Å; F92-V96 PolarHBondContact O-N 2.81Å
93	C	79.7	Confident	75.5	Confident	6 Å²	6	81.7 Å²	81.7	4%	0.041	41%	0.412	C	S	.	.	H	α-helix	trans	-62.2	-42.1	175.5	-83	0	0	0	0	111.9	F63 L89 Y90 Y91 V96 E97	F63-C93 HydrophobicContact CE2-CB 4.43Å; F63-C93 HydrophobicContact CZ-CB 4.07Å; L89-C93 PolarHBondContact O-N 3.04Å; L89-C93 VanDerWaalsContact O-N 3.14Å; Y90-C93 PolarHBondContact O-N 2.93Å; Y91-C93 PolarHBondContact O-N 2.85Å; C93-V96 PolarHBondContact O-N 3.27Å; C93-E97 WeakPolarHBondContact O-CG 3.24Å; C93-E97 PolarHBondContact O-N 3.27Å
94	F	81.5	Confident	74.3	Confident	106 Å²	106	81.4 Å²	81.4	47%	0.465	42%	0.417	S	S	.	.	H	α-helix	trans	-61.9	-44.9	177.3	-173.9	-94.2	0	0	0	112.3	Y90 Y91 F92 V96 E97 A98	Y90-F94 PolarHBondContact O-N 3.04Å; Y91-F94 PolarHBondContact O-N 2.84Å; F92-F94 PolarHBondContact O-N 2.8Å; F94-V96 PolarHBondContact O-N 3.4Å; F94-E97 PolarHBondContact O-N 2.92Å; F94-A98 WeakPolarHBondContact O-CB 3.46Å; F94-A98 PolarHBondContact O-N 3.12Å
95	T	81.1	Confident	72.6	Confident	79 Å²	79	81 Å²	81	49%	0.485	42%	0.416	S	S	.	.	H	α-helix	trans	-65.2	-35.5	177.4	47.8	0	0	0	0	113	Y91 F92 L99	Y91-T95 PolarHBondContact O-N 2.91Å; Y91-T95 PolarHBondContact O-OG1 3.48Å; Y91-T95 VanDerWaalsContact O-OG1 3.04Å; F92-T95 WeakPolarHBondContact CA-OG1 3.34Å; F92-T95 PolarHBondContact O-N 2.85Å; F92-T95 PolarHBondContact O-OG1 2.87Å; T95-L99 WeakPolarHBondContact O-CB 3.43Å; T95-L99 PolarHBondContact O-N 3.37Å; T95-L99 VanDerWaalsContact O-N 3.14Å
96	V	81.9	Confident	70.6	Confident	16 Å²	16	81.4 Å²	81.4	10%	0.097	43%	0.426	C	S	.	.	H	α-helix	trans	-71.2	-37	176.6	171.7	0	0	0	0	111.4	A54 L57 T58 F63 F92 C93 F94 L99 A100	A54-V96 HydrophobicContact CB-CG1 4.28Å; L57-V96 HydrophobicContact CB-CG1 4.37Å; T58-V96 HydrophobicContact CG2-CG1 4.02Å; F63-V96 HydrophobicContact CD2-CG1 4.32Å; F63-V96 HydrophobicContact CE2-CB 3.82Å; F63-V96 HydrophobicContact CE2-CG1 3.57Å; F63-V96 HydrophobicContact CE2-CG2 4.47Å; F63-V96 HydrophobicContact CZ-CB 3.92Å; F63-V96 HydrophobicContact CZ-CG1 3.78Å; F92-V96 HydrophobicContact CE1-CG2 4.1Å; F92-V96 HydrophobicContact CE2-CG2 4.15Å; F92-V96 HydrophobicContact CZ-CG2 3.89Å; F92-V96 WeakPolarHBondContact O-CG2 3.35Å; F92-V96 PolarHBondContact O-N 2.81Å; C93-V96 PolarHBondContact O-N 3.27Å; F94-V96 PolarHBondContact O-N 3.4Å; V96-L99 PolarHBondContact O-N 2.78Å; V96-A100 WeakPolarHBondContact O-CB 3.32Å; V96-A100 PolarHBondContact O-N 2.83Å
97	E	79.5	Confident	68.8	Low	41 Å²	41	84.5 Å²	84.5	19%	0.192	45%	0.45	C	S	.	.	H	α-helix	trans	-71.2	-31.5	174.7	-68.5	-168.2	141	0	0	113.2	T58 F63 R67 C93 F94 L99 N102	T58-E97 HydrophobicContact CG2-CG 4.09Å; F63-E97 HydrophobicContact CE1-CG 3.55Å; F63-E97 HydrophobicContact CZ-CG 3.79Å; R67-E97 WeakPolarHBondContact CD-OE1 3.45Å; R67-E97 WeakPolarHBondContact CD-OE2 3.44Å; R67-E97 VanDerWaalsContact CZ-CD 3.44Å; R67-E97 IonicContact CZ-OE1 2.81Å; R67-E97 IonicContact CZ-OE2 3.33Å; R67-E97 IonicContact NE-OE1 3.75Å; R67-E97 PolarHBondContact NE-OE1 3.15Å; R67-E97 IonicContact NE-OE2 3.75Å; R67-E97 PolarHBondContact NE-OE2 2.94Å; R67-E97 VanDerWaalsContact NH1-CD 3.33Å; R67-E97 IonicContact NH1-OE1 2.79Å; R67-E97 PolarHBondContact NH1-OE1 2.88Å; R67-E97 IonicContact NH1-OE2 3.68Å; R67-E97 PolarHBondContact NH1-OE2 2.99Å; R67-E97 IonicContact NH2-OE2 2.81Å; R67-E97 PolarHBondContact NH2-OE2 3.17Å; C93-E97 WeakPolarHBondContact O-CG 3.24Å; C93-E97 PolarHBondContact O-N 3.27Å; F94-E97 PolarHBondContact O-N 2.92Å; E97-L99 VanDerWaalsContact C-N 3.34Å; E97-N102 PolarHBondContact O-ND2 2.97Å
98	A	78.6	Confident	66.8	Low	79 Å²	79	88.4 Å²	88.4	65%	0.653	47%	0.472	S	S	*	.	H	α-helix	trans	-74	-21.9	174.8	0	0	0	0	0	113.8	F94	F94-A98 WeakPolarHBondContact O-CB 3.46Å; F94-A98 PolarHBondContact O-N 3.12Å
99	L	79.7	Confident	64.4	Low	83 Å²	83	89.3 Å²	89.3	44%	0.435	48%	0.483	S	S	.	.	H	α-helix	trans	-95.8	-9.6	177.9	-149.3	82.7	0	0	0	113.5	L50 I51 A54 T95 V96 E97	L50-L99 HydrophobicContact CB-CD2 3.88Å; I51-L99 HydrophobicContact CG1-CG 4.12Å; A54-L99 HydrophobicContact CB-CB 4.02Å; A54-L99 HydrophobicContact CB-CD2 4.25Å; T95-L99 WeakPolarHBondContact O-CB 3.43Å; T95-L99 PolarHBondContact O-N 3.37Å; T95-L99 VanDerWaalsContact O-N 3.14Å; V96-L99 PolarHBondContact O-N 2.78Å; E97-L99 VanDerWaalsContact C-N 3.34Å
100	A	82.3	Confident	62.2	Low	11 Å²	11	91.6 Å²	91.6	9%	0.091	50%	0.504	C	S	.	.	S	Bend	trans	-87.6	141.4	-179.2	0	0	0	0	0	112.1	A54 T55 T58 V96 N102	A54-A100 HydrophobicContact CB-CB 4.34Å; T55-A100 WeakPolarHBondContact OG1-CA 3.36Å; T58-A100 HydrophobicContact CG2-CB 3.62Å; V96-A100 WeakPolarHBondContact O-CB 3.32Å; V96-A100 PolarHBondContact O-N 2.83Å; A100-N102 VanDerWaalsContact C-N 3.26Å; A100-N102 PolarHBondContact O-N 3.42Å; A100-N102 PolarHBondContact O-ND2 3.01Å
101	I	74	Confident	59.8	Low	115 Å²	115	95 Å²	95	59%	0.59	53%	0.526	S	S	*	.			trans	-76.7	84.2	168.6	-56.3	175.1	0	0	0	107.5	I51 T55 S103	I51-I101 HydrophobicContact CG2-CD1 3.75Å; I51-I101 HydrophobicContact CG2-CG1 3.62Å; T55-I101 HydrophobicContact CG2-CB 4.37Å; T55-I101 PolarHBondContact OG1-N 2.68Å; I101-S103 PolarHBondContact O-N 3.47Å; I101-S103 VanDerWaalsContact O-N 3.11Å
102	N	61.9	Low	57.5	Low	84 Å²	84	96.9 Å²	96.9	45%	0.449	54%	0.537	S	S	.	.			trans	-71.7	103.2	174.3	-58.6	-66.8	0	0	0	108.7	E97 A100 V104	E97-N102 PolarHBondContact O-ND2 2.97Å; A100-N102 VanDerWaalsContact C-N 3.26Å; A100-N102 PolarHBondContact O-N 3.42Å; A100-N102 PolarHBondContact O-ND2 3.01Å; N102-V104 PolarHBondContact O-N 2.89Å
103	S	49.6	Very low	55	Low	79 Å²	79	99.8 Å²	99.8	55%	0.552	56%	0.557	S	S	*	*			trans	-62.6	105.9	170.3	58.5	0	0	0	0	109.1	I101 N105	I101-S103 PolarHBondContact O-N 3.47Å; I101-S103 VanDerWaalsContact O-N 3.11Å; S103-N105 PolarHBondContact O-N 3.45Å
104	V	42.6	Very low	52.5	Low	109 Å²	109	105.6 Å²	105.6	66%	0.661	59%	0.592	S	S	*	*			trans	-71.8	97.3	174.7	-175.7	0	0	0	0	107.8	N102 D106	N102-V104 PolarHBondContact O-N 2.89Å; V104-D106 WeakPolarHBondContact CG1-OD1 3.29Å; V104-D106 PolarHBondContact O-N 2.92Å; V104-D106 VanDerWaalsContact O-N 3.17Å
105	N	37.8	Very low	50.1	Low	126 Å²	126	110 Å²	110	67%	0.674	61%	0.611	S	S	*	*			trans	-69.7	105.4	158.8	-81.1	7.2	0	0	0	106.7	S103 S107	S103-N105 PolarHBondContact O-N 3.45Å; N105-S107 PolarHBondContact O-N 3.49Å
106	D	33.5	Very low	47.6	Very low	156 Å²	156	115.2 Å²	115.2	83%	0.834	63%	0.628	S	S	*	*	S	Bend	trans	-70.3	49.5	177.7	-76.2	-51.9	0	0	0	112.7	V104	V104-D106 WeakPolarHBondContact CG1-OD1 3.29Å; V104-D106 PolarHBondContact O-N 2.92Å; V104-D106 VanDerWaalsContact O-N 3.17Å
107	S	30	Very low	45.1	Very low	100 Å²	100	124.8 Å²	124.8	70%	0.699	67%	0.668	S	S	*	*			trans	-142.3	23.6	-175	78.7	0	0	0	0	113.8	N105	N105-S107 PolarHBondContact O-N 3.49Å
108	E	32.5	Very low	42.6	Very low	190 Å²	190	126.4 Å²	126.4	89%	0.888	70%	0.696	S	S	*	*	S	Bend	trans	-141.7	105.6	161.3	-132.4	171.3	-132.1	0	0	111.9
109	T	29	Very low	40.1	Very low	131 Å²	131	133.7 Å²	133.7	80%	0.804	71%	0.708	S	S	*	*			trans	-46.9	124.7	-172.2	49.6	0	0	0	0	116.1
110	S	29.5	Very low	37.9	Very low	99 Å²	99	138.6 Å²	138.6	69%	0.692	73%	0.726	S	S	*	*			trans	40.6	105	141.3	64.5	0	0	0	0	118.9
111	L	28	Very low	35.4	Very low	150 Å²	150	147.3 Å²	147.3	79%	0.785	77%	0.765	S	S	*	*				-162.9	148.4	123.8	-132.7	71.7	0	0	0	114.2
112	K	32.7	Very low	33.3	Very low	182 Å²	182	146.7 Å²	146.7	79%	0.791	77%	0.771	S	S	*	*			trans	64	82	159.9	-70.7	168.7	-178.2	172.4	0	117.4	T114	K112-T114 PolarHBondContact O-N 3.34Å
113	N	29.5	Very low	31.9	Very low	153 Å²	153	151.4 Å²	151.4	82%	0.818	79%	0.79	S	S	*	*			trans	-42.5	135.5	139.7	-77.9	-24.2	0	0	0	111.1	K115	N113-K115 PolarHBondContact O-N 2.87Å
114	T	27.5	Very low	31	Very low	128 Å²	128	156.4 Å²	156.4	79%	0.785	80%	0.802	S	S	*	*			trans	-68.5	94.5	169.4	35.4	0	0	0	0	110.5	K112	K112-T114 PolarHBondContact O-N 3.34Å
115	K	30.6	Very low	30.4	Very low	198 Å²	198	157 Å²	157	86%	0.861	81%	0.811	S	S	*	*			trans	-94.1	128	164.7	-76.3	-164.9	171.2	-173.4	0	110.7	N113	N113-K115 PolarHBondContact O-N 2.87Å
116	F	28.7	Very low	30	Very low	190 Å²	190	161 Å²	161	83%	0.833	82%	0.818	S	S	*	*			trans	-62.2	171.4	173.4	-92.3	-111.9	0	0	0	112	G118	F116-G118 PolarHBondContact O-N 3.41Å
117	F	30.5	Very low	29.8	Very low	216 Å²	216	162.8 Å²	162.8	95%	0.947	82%	0.821	S	S	*	*			trans	-36.4	121.8	177.6	-76.9	-103.9	0	0	0	113.9
118	G	26.4	Very low	30.1	Very low	75 Å²	75	164.4 Å²	164.4	77%	0.773	83%	0.827	S	S	*	*			trans	-139.9	157.5	173.8	0	0	0	0	0	110.7	F116	F116-G118 PolarHBondContact O-N 3.41Å
119	Y	25.9	Very low	30.1	Very low	232 Å²	232	160.8 Å²	160.8	91%	0.91	82%	0.82	S	S	*	*			trans	-83.1	171.1	-164.9	-145.7	-115.2	0	0	0	114.3
120	K	33.2	Very low	30.3	Very low	186 Å²	186	160.3 Å²	160.3	81%	0.809	82%	0.822	S	S	*	*			trans	-65.8	140	177.8	-65	177.2	177.6	178.1	0	111.9
121	Q	30.8	Very low	30.7	Very low	195 Å²	195	163 Å²	163	91%	0.911	83%	0.828	S	S	*	*			trans	-156.6	-176.4	131	-123.7	168.1	-6.4	0	0	113.4
122	S	30	Very low	31.2	Very low	101 Å²	101	161.4 Å²	161.4	71%	0.706	83%	0.827	S	S	*	*			trans	-73.5	167.2	-150.9	49.9	0	0	0	0	118.1
123	E	31.4	Very low	31.3	Very low	183 Å²	183	160.8 Å²	160.8	86%	0.855	83%	0.831	S	S	*	*			trans	-25.7	135.8	165.6	-62.2	162.7	112.2	0	0	117.1
124	K	31.5	Very low	31.9	Very low	185 Å²	185	164.6 Å²	164.6	80%	0.804	83%	0.834	S	S	*	*			trans	-148.8	140.2	130	-111.6	166.2	-173.3	177.2	0	110.1	Y126	K124-Y126 PolarHBondContact O-N 3.46Å
125	S	29	Very low	32.4	Very low	120 Å²	120	167.6 Å²	167.6	84%	0.839	84%	0.836	S	S	*	*			trans	-67.2	126.3	177.3	48.1	0	0	0	0	110.8
126	Y	30.6	Very low	33.1	Very low	212 Å²	212	163.4 Å²	163.4	83%	0.831	82%	0.82	S	S	*	*			trans	-117.7	123.3	167.9	-86.1	-84.7	0	0	0	109.4	K124	K124-Y126 PolarHBondContact O-N 3.46Å
127	E	28.1	Very low	34	Very low	193 Å²	193	158.7 Å²	158.7	90%	0.902	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-65.5	136.1	174.4	-63.8	175.2	109.8	0	0	110.2
128	T	36.6	Very low	34.8	Very low	133 Å²	133	155.3 Å²	155.3	82%	0.816	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-74.3	130.9	173.7	47.1	0	0	0	0	110.1	S130	T128-S130 PolarHBondContact O-N 2.93Å
129	P	33.5	Very low	35.8	Very low	114 Å²	114	159.4 Å²	159.4	74%	0.74	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-63.9	128.7	-177.9	26	-34.5	0	0	0	111.5	L131	P129-L131 PolarHBondContact O-N 3.02Å
130	S	32.7	Very low	36.6	Very low	122 Å²	122	154.4 Å²	154.4	85%	0.853	78%	0.78	S	S	*	*			trans	-75.8	101.3	178.2	40.4	0	0	0	0	111.1	T128	T128-S130 PolarHBondContact O-N 2.93Å
131	L	37.3	Very low	36.7	Very low	156 Å²	156	154 Å²	154	82%	0.817	78%	0.775	S	S	*	*			trans	-63.7	145.6	170.4	-80.3	103.9	0	0	0	111.3	P129	P129-L131 PolarHBondContact O-N 3.02Å
132	P	39.8	Very low	36.8	Very low	116 Å²	116	148.2 Å²	148.2	75%	0.753	77%	0.767	S	S	*	*			trans	-67.7	148.1	-167.8	25.6	-35.1	0	0	0	113.9	R134	P132-R134 PolarHBondContact O-N 3.35Å
133	L	34.5	Very low	37.1	Very low	168 Å²	168	148.3 Å²	148.3	88%	0.88	76%	0.764	S	S	*	*			trans	-63.2	94.4	-175.6	-72.1	159.9	0	0	0	112.9
134	R	41.5	Very low	37.2	Very low	233 Å²	233	145.9 Å²	145.9	88%	0.879	76%	0.762	S	S	*	*			trans	-108.7	108	160.7	-95.2	-176.9	167.3	170.9	-2.5	110.7	P132 Q136	P132-R134 PolarHBondContact O-N 3.35Å; R134-Q136 PolarHBondContact O-N 2.9Å
135	F	37.5	Very low	37.3	Very low	191 Å²	191	142.5 Å²	142.5	84%	0.838	76%	0.756	S	S	*	*			trans	18.7	90.7	166	-78.2	-90.7	0	0	0	117.2	P137	F135-P137 VanDerWaalsContact O-CD 3.3Å; F135-P137 WeakPolarHBondContact O-CD 3.24Å
136	Q	45.8	Very low	37.6	Very low	111 Å²	111	144.4 Å²	144.4	52%	0.519	76%	0.756	S	S	.	*			trans	-90.8	103.5	160.4	-71.3	178.5	-29.4	0	0	109.1	R134 E138 K139	R134-Q136 PolarHBondContact O-N 2.9Å; Q136-E138 PolarHBondContact O-N 3.4Å; Q136-E138 VanDerWaalsContact O-N 3.17Å; Q136-K139 PolarHBondContact O-N 2.88Å; Q136-K139 VanDerWaalsContact O-N 3.16Å; Q136-K139 VanDerWaalsContact OE1-CE 3.27Å
137	P	47.6	Very low	37.7	Very low	91 Å²	91	142 Å²	142	59%	0.591	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-64.9	-18.5	179.3	26.8	-34.8	0	0	0	113	F135 K139 L140 Y141	F135-P137 VanDerWaalsContact O-CD 3.3Å; F135-P137 WeakPolarHBondContact O-CD 3.24Å; P137-K139 PolarHBondContact O-N 3.41Å; P137-K139 VanDerWaalsContact O-N 3.09Å; P137-L140 PolarHBondContact O-N 3.48Å; P137-Y141 PolarHBondContact O-N 2.96Å
138	E	47.8	Very low	37.9	Very low	145 Å²	145	142 Å²	142	68%	0.678	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-62	-9.2	173	-60.2	177.1	179.8	0	0	114	Q136 T143	Q136-E138 PolarHBondContact O-N 3.4Å; Q136-E138 VanDerWaalsContact O-N 3.17Å; E138-T143 WeakPolarHBondContact O-CG2 3.37Å
139	K	46.1	Very low	37.6	Very low	161 Å²	161	145.7 Å²	145.7	70%	0.7	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-104.2	-4.7	172.5	-66.3	-175.9	176.5	175.4	0	114.2	Q136 P137	Q136-K139 PolarHBondContact O-N 2.88Å; Q136-K139 VanDerWaalsContact O-N 3.16Å; Q136-K139 VanDerWaalsContact OE1-CE 3.27Å; P137-K139 PolarHBondContact O-N 3.41Å; P137-K139 VanDerWaalsContact O-N 3.09Å
140	L	42.6	Very low	37.4	Very low	126 Å²	126	147.1 Å²	147.1	66%	0.66	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	-19.8	179.2	-102.4	158.2	0	0	0	113.1	P137	P137-L140 PolarHBondContact O-N 3.48Å
141	Y	35.1	Very low	37.3	Very low	179 Å²	179	151.1 Å²	151.1	70%	0.702	76%	0.762	S	S	*	*	S	Bend	trans	-124.4	128.9	168.3	-60	-82.6	0	0	0	108.1	P137 T143	P137-Y141 PolarHBondContact O-N 2.96Å; Y141-T143 PolarHBondContact O-N 3.48Å
142	G	34.7	Very low	37.1	Very low	73 Å²	73	149.4 Å²	149.4	75%	0.753	76%	0.763	S	S	*	*			trans	-51.2	131.5	-170.6	0	0	0	0	0	113.2	T144	G142-T144 PolarHBondContact O-N 3.27Å
143	T	35.2	Very low	36.6	Very low	103 Å²	103	155.8 Å²	155.8	63%	0.632	77%	0.772	S	S	*	*			trans	-59.4	102.1	-170.9	47.9	0	0	0	0	112.6	E138 Y141 T145	E138-T143 WeakPolarHBondContact O-CG2 3.37Å; Y141-T143 PolarHBondContact O-N 3.48Å; T143-T145 PolarHBondContact O-N 2.9Å; T143-T145 VanDerWaalsContact O-N 3.1Å
144	T	34.4	Very low	36.5	Very low	132 Å²	132	157.6 Å²	157.6	81%	0.81	77%	0.773	S	S	*	*			trans	-79.2	87.9	166.3	36.5	0	0	0	0	109.2	G142 I146	G142-T144 PolarHBondContact O-N 3.27Å; T144-I146 PolarHBondContact O-N 3.5Å
145	T	33.5	Very low	35.8	Very low	113 Å²	113	150.5 Å²	150.5	69%	0.693	77%	0.772	S	S	*	*			trans	-69.1	84.9	-175.9	44	0	0	0	0	112.5	T143 M147	T143-T145 PolarHBondContact O-N 2.9Å; T143-T145 VanDerWaalsContact O-N 3.1Å; T145-M147 PolarHBondContact O-N 3.35Å
146	I	33.7	Very low	35.5	Very low	161 Å²	161	146.9 Å²	146.9	83%	0.826	77%	0.771	S	S	*	*			trans	-70.9	81.4	163.6	-54.2	-179.9	0	0	0	108.1	T144 Q148	T144-I146 PolarHBondContact O-N 3.5Å; I146-Q148 PolarHBondContact O-N 3.08Å
147	M	33.6	Very low	34.5	Very low	162 Å²	162	147.3 Å²	147.3	80%	0.798	79%	0.785	S	S	*	*			trans	-58	135.5	172.9	-72.4	-167.8	74.9	0	0	110.2	T145 K149	T145-M147 PolarHBondContact O-N 3.35Å; M147-K149 PolarHBondContact O-N 2.67Å
148	Q	31.4	Very low	33.8	Very low	192 Å²	192	150 Å²	150	90%	0.897	79%	0.793	S	S	*	*			trans	-66.2	91.9	173.5	-67.7	-179.9	-42.7	0	0	110	I146 D150	I146-Q148 PolarHBondContact O-N 3.08Å; Q148-D150 PolarHBondContact O-N 3.41Å
149	K	30.6	Very low	32.9	Very low	211 Å²	211	150.5 Å²	150.5	92%	0.917	80%	0.8	S	S	*	*			trans	-85.1	51.8	179	-155.4	173.3	-173.5	174.9	0	112.3	M147	M147-K149 PolarHBondContact O-N 2.67Å
150	D	30.2	Very low	32.2	Very low	144 Å²	144	150.3 Å²	150.3	77%	0.77	81%	0.806	S	S	*	*	S	Bend	trans	-137.7	129.7	173.1	-113.2	-38	0	0	0	109.5	Q148	Q148-D150 PolarHBondContact O-N 3.41Å
151	K	30.2	Very low	31.7	Very low	206 Å²	206	150.2 Å²	150.2	90%	0.896	81%	0.813	S	S	*	*	S	Bend	trans	76.1	63.8	-178.9	-50.4	177.8	-179.9	179	0	118.9
152	S	32.4	Very low	31.3	Very low	120 Å²	120	150.9 Å²	150.9	84%	0.839	82%	0.82	S	S	*	*			trans	-153.3	42.1	153.3	56.7	0	0	0	0	114.6	K154	S152-K154 VanDerWaalsContact C-N 3.34Å; S152-K154 PolarHBondContact O-N 3.08Å
153	R	29.4	Very low	31	Very low	250 Å²	250	155.7 Å²	155.7	94%	0.943	82%	0.822	S	S	*	*			trans	-81.3	70.7	178.8	-161.9	-178.7	-168.9	-173.7	3.8	112.6
154	K	32.6	Very low	30.9	Very low	205 Å²	205	156.1 Å²	156.1	89%	0.891	83%	0.827	S	S	*	*	S	Bend	trans	-171.2	121.7	160.3	-109.5	168.6	-174.6	-174.2	0	112.3	S152	S152-K154 VanDerWaalsContact C-N 3.34Å; S152-K154 PolarHBondContact O-N 3.08Å
155	G	27.5	Very low	30.7	Very low	84 Å²	84	155.6 Å²	155.6	87%	0.866	83%	0.826	S	S	*	*			trans	63.6	85.8	148.5	0	0	0	0	0	120.3
156	S	30.4	Very low	30.7	Very low	116 Å²	116	158.5 Å²	158.5	81%	0.811	83%	0.831	S	S	*	*				-159.3	142.2	123.3	60.8	0	0	0	0	110.6
157	C	26.3	Very low	30.6	Very low	120 Å²	120	157.2 Å²	157.2	81%	0.811	83%	0.826	S	S	*	*			trans	-110.8	125.7	172	47.2	0	0	0	0	108.4
158	I	33.2	Very low	30.3	Very low	148 Å²	148	158.2 Å²	158.2	76%	0.759	83%	0.829	S	S	*	*			trans	-136.4	124.6	171.6	-61.3	-178.2	0	0	0	107
159	N	27.1	Very low	30.2	Very low	154 Å²	154	158.8 Å²	158.8	82%	0.824	83%	0.829	S	S	*	*			trans	-84.3	144.2	177.3	-62.6	-26.9	0	0	0	110.1
160	L	32	Very low	30.2	Very low	157 Å²	157	158.1 Å²	158.1	82%	0.822	82%	0.82	S	S	*	*			trans	-132.7	150.3	163.9	-78.2	173.8	0	0	0	109.2
161	P	32.7	Very low	30.2	Very low	125 Å²	125	160.8 Å²	160.8	81%	0.812	83%	0.825	S	S	*	*			trans	-83.6	164.8	-156.9	32.2	-37.3	0	0	0	115.7
162	F	25.6	Very low	30.2	Very low	193 Å²	193	160.9 Å²	160.9	85%	0.846	83%	0.826	S	S	*	*			trans	-87.6	149.6	178.1	-89	-104.1	0	0	0	113.8
163	H	28.7	Very low	30	Very low	174 Å²	174	160.2 Å²	160.2	81%	0.806	82%	0.821	S	S	*	*			trans	133.9	152.7	139.3	-81.2	-75.9	0	0	0	113.8
164	P	33.3	Very low	30	Very low	112 Å²	112	156.7 Å²	156.7	73%	0.727	82%	0.817	S	S	*	*			cis	-119.1	171	-25.9	29.5	-11.1	0	0	0	111.9
165	P	30.2	Very low	29.7	Very low	121 Å²	121	154.3 Å²	154.3	79%	0.786	81%	0.813	S	S	*	*			trans	-93.3	142.4	-177.8	35.1	-32.4	0	0	0	113.2
166	E	33.9	Very low	29.7	Very low	174 Å²	174	158 Å²	158	81%	0.813	81%	0.814	S	S	*	*			trans	-140.4	148.2	164.3	-134.1	-178.1	-146.5	0	0	112.4
167	N	30.4	Very low	29.5	Very low	134 Å²	134	156.8 Å²	156.8	72%	0.717	81%	0.805	S	S	*	*			trans	54	75.6	169.8	-67.6	-52.3	0	0	0	118.3	F169	N167-F169 PolarHBondContact O-N 2.85Å
168	Q	27.2	Very low	29.6	Very low	183 Å²	183	160.8 Å²	160.8	86%	0.855	81%	0.809	S	S	*	*			trans	-72.6	108.5	159.4	-60.1	-178.7	20.4	0	0	111.4
169	F	30.4	Very low	29.6	Very low	204 Å²	204	159.9 Å²	159.9	90%	0.895	81%	0.81	S	S	*	*			trans	-122.7	105.6	153.7	-94.4	-75.9	0	0	0	110.8	N167	N167-F169 PolarHBondContact O-N 2.85Å
170	R	31	Very low	29.6	Very low	196 Å²	196	161.8 Å²	161.8	74%	0.74	81%	0.811	S	S	*	*			trans	-92.9	125.7	-169.9	-166.6	172.7	-179.9	176.5	-1.2	111.2
171	K	28.8	Very low	29.5	Very low	201 Å²	201	160 Å²	160	87%	0.874	81%	0.812	S	S	*	*			trans	-31.9	133.9	177.6	-57.6	174	-179.5	178.6	0	114.9
172	K	30.2	Very low	29.2	Very low	207 Å²	207	160.8 Å²	160.8	90%	0.9	81%	0.809	S	S	*	*			trans	-109.8	143.3	144.6	-85.8	-170.9	174.9	-179.2	0	109.8
173	S	29.3	Very low	29.4	Very low	106 Å²	106	158.4 Å²	158.4	74%	0.741	80%	0.801	S	S	*	*			trans	-76.4	140.4	176	-173.6	0	0	0	0	110.5
174	M	28.4	Very low	29.4	Very low	177 Å²	177	160.1 Å²	160.1	87%	0.872	80%	0.8	S	S	*	*			trans	-117.3	75.8	162.2	-70.1	-156.9	-54.7	0	0	109.3
175	L	28	Very low	29.2	Very low	154 Å²	154	166.5 Å²	166.5	81%	0.806	81%	0.81	S	S	*	*			trans	-141.8	47.8	168.9	-101	176	0	0	0	110
176	D	27.1	Very low	29	Very low	163 Å²	163	166.6 Å²	166.6	87%	0.872	81%	0.812	S	S	*	*			trans	-155.9	89.4	164.7	-93.4	-41.1	0	0	0	109.1
177	S	26.5	Very low	28.8	Very low	89 Å²	89	163.6 Å²	163.6	62%	0.622	81%	0.81	S	S	*	*			trans	-170.8	155.6	164.7	15.2	0	0	0	0	109.8
178	F	27.9	Very low	28.7	Very low	204 Å²	204	166.2 Å²	166.2	90%	0.895	82%	0.815	S	S	*	*			trans	71	46.5	177	-50.6	-68.6	0	0	0	117.8
179	V	32.8	Very low	28.7	Very low	130 Å²	130	165.3 Å²	165.3	79%	0.788	82%	0.815	S	S	*	*	S	Bend	trans	-130.4	108	147.8	179.6	0	0	0	0	108.9
180	F	27.5	Very low	28.6	Very low	194 Å²	194	162.2 Å²	162.2	85%	0.851	81%	0.807	S	S	*	*			trans	38.8	115	170.2	-62.3	-73.2	0	0	0	121
181	S	29	Very low	28.6	Very low	120 Å²	120	159.4 Å²	159.4	84%	0.839	81%	0.807	S	S	*	*				-150.2	133.6	128	64.8	0	0	0	0	110.1
182	D	27.2	Very low	28.8	Very low	141 Å²	141	154 Å²	154	75%	0.754	80%	0.795	S	S	*	*			trans	-83.2	166.1	-175.1	-125.1	-56.6	0	0	0	113.7
183	Q	29.4	Very low	28.7	Very low	143 Å²	143	151.8 Å²	151.8	67%	0.668	79%	0.792	S	S	*	*			trans	61.4	114.7	158.1	-65.6	-175.4	14	0	0	122.4
184	R	29	Very low	28.9	Very low	209 Å²	209	152 Å²	152	79%	0.789	79%	0.794	S	S	*	*			trans	69.7	113.9	130.9	-60.8	175	-175.8	-169.4	1.5	119.8
185	R	28.6	Very low	29	Very low	247 Å²	247	151 Å²	151	93%	0.932	79%	0.792	S	S	*	*			trans	-106.3	115.5	134.3	-79.6	-172.6	176	-173.9	-0.5	109.5
186	C	26.1	Very low	29.1	Very low	122 Å²	122	149 Å²	149	82%	0.824	79%	0.791	S	S	*	*			trans	-128.3	126.3	157.9	-68.7	0	0	0	0	107.8
187	S	30.1	Very low	29.1	Very low	111 Å²	111	151.5 Å²	151.5	78%	0.776	79%	0.794	S	S	*	*			trans	-161.9	136.1	170.6	58.8	0	0	0	0	107.5
188	K	27.9	Very low	29	Very low	190 Å²	190	152.3 Å²	152.3	83%	0.826	80%	0.799	S	S	*	*			cis	-138.8	154.7	3.6	-53.1	169.1	-177.6	176	0	109.1
189	L	28.2	Very low	29.1	Very low	163 Å²	163	149.7 Å²	149.7	85%	0.853	79%	0.794	S	S	*	*				-159.7	175	118.7	-131.2	70.3	0	0	0	110.5
190	L	28.1	Very low	28.8	Very low	139 Å²	139	150.8 Å²	150.8	73%	0.728	80%	0.795	S	S	*	*			trans	-50	158.5	179.7	-82.2	62.9	0	0	0	113.3
191	D	31.2	Very low	28.6	Very low	137 Å²	137	146.4 Å²	146.4	73%	0.733	79%	0.788	S	S	*	*			cis	-157.4	168.9	25.5	-126.9	-32.8	0	0	0	115.7
192	S	31.8	Very low	28.5	Very low	89 Å²	89	147.6 Å²	147.6	62%	0.622	78%	0.784	S	S	*	*			trans	37.2	124.2	159.1	60.9	0	0	0	0	125.2
193	N	29.8	Very low	28.7	Very low	159 Å²	159	148.8 Å²	148.8	85%	0.85	79%	0.785	S	S	*	*			trans	50.9	125	136.2	-54.7	-16.3	0	0	0	120.5
194	S	32.3	Very low	28.5	Very low	110 Å²	110	150.2 Å²	150.2	77%	0.769	79%	0.791	S	S	*	*			cis	-172.7	163.2	33.8	47.5	0	0	0	0	114.6
195	L	31.1	Very low	28.5	Very low	158 Å²	158	144 Å²	144	83%	0.827	78%	0.78	S	S	*	*			trans	41	91.7	162.4	-81.5	79.5	0	0	0	122.1
196	S	30.1	Very low	28.5	Very low	112 Å²	112	140.7 Å²	140.7	78%	0.783	78%	0.775	S	S	*	*				44.9	123.4	119.3	62	0	0	0	0	122.9
197	K	25.9	Very low	28.7	Very low	215 Å²	215	142.6 Å²	142.6	94%	0.935	78%	0.776	S	S	*	*			trans	-108.1	137.6	152	-87	-174.3	174.1	-179	0	111.6
198	S	25.9	Very low	28.5	Very low	106 Å²	106	142.1 Å²	142.1	74%	0.741	78%	0.779	S	S	*	*			trans	-165.6	154.9	153.4	83	0	0	0	0	107.5
199	N	29.6	Very low	28.5	Very low	148 Å²	148	136.5 Å²	136.5	79%	0.791	78%	0.775	S	S	*	*			cis	-147.8	-173.4	6.4	-114.6	-30.1	0	0	0	110.9
200	L	25.7	Very low	28.4	Very low	154 Å²	154	134.3 Å²	134.3	81%	0.806	77%	0.773	S	S	*	*			trans	-75	156.1	-175.6	-60.7	78.4	0	0	0	115
201	S	24.5	Very low	28.4	Very low	101 Å²	101	134.2 Å²	134.2	71%	0.706	77%	0.769	S	S	*	*				160.5	176.3	113	56.7	0	0	0	0	113.7
202	I	26.8	Very low	28.3	Very low	146 Å²	146	134.9 Å²	134.9	75%	0.749	77%	0.765	S	S	*	*			trans	75.5	138.7	161.9	-76.5	170.3	0	0	0	115.7
203	Q	29.9	Very low	28.2	Very low	166 Å²	166	137.4 Å²	137.4	78%	0.776	77%	0.772	S	S	*	*			cis	-150.7	-129.3	-3.8	-137.6	176.7	3	0	0	115.2
204	H	27	Very low	28.2	Very low	173 Å²	173	134.4 Å²	134.4	80%	0.801	76%	0.763	S	S	*	*			trans	-152.5	168.9	-159.3	-92.2	-129.6	0	0	0	110.6
205	S	28.7	Very low	27.9	Very low	79 Å²	79	134.6 Å²	134.6	55%	0.552	77%	0.765	S	S	*	*			cis	-178.4	143.1	-29.4	60.4	0	0	0	0	111.7
206	H	27.4	Very low	27.9	Very low	176 Å²	176	136.2 Å²	136.2	82%	0.815	77%	0.768	S	S	*	*			trans	69.5	152.3	164.1	-65.9	-77.4	0	0	0	122
207	L	30.2	Very low	27.8	Very low	162 Å²	162	138.4 Å²	138.4	85%	0.848	77%	0.77	S	S	*	*			trans	87.1	103.7	148	-77.6	156.6	0	0	0	124.1
208	A	27.4	Very low	28.1	Very low	102 Å²	102	135.2 Å²	135.2	84%	0.843	76%	0.762	S	S	*	*				53.8	137	123.3	0	0	0	0	0	125.1
209	G	26.3	Very low	28.2	Very low	72 Å²	72	139.3 Å²	139.3	74%	0.742	77%	0.766	S	S	*	*			trans	135.7	119.9	170.7	0	0	0	0	0	110.7
210	S	26.2	Very low	28	Very low	116 Å²	116	137.4 Å²	137.4	81%	0.811	77%	0.765	S	S	*	*				71	121.9	59.2	-160.4	0	0	0	0	111.8
211	E	28.7	Very low	28.1	Very low	137 Å²	137	136 Å²	136	64%	0.64	76%	0.762	S	S	*	*			cis	-162.5	166.1	10.1	-133.3	-172.3	171.8	0	0	112.5
212	K	29.1	Very low	28.3	Very low	151 Å²	151	138.9 Å²	138.9	66%	0.657	77%	0.766	S	S	*	*			trans	57.4	120.6	147.2	-78.4	167.7	-171.4	145.6	0	124
213	N	29.8	Very low	28.4	Very low	143 Å²	143	138.1 Å²	138.1	77%	0.765	76%	0.764	S	S	*	*				142.4	114.7	116.9	-81.7	-7.6	0	0	0	118.8
214	S	29.1	Very low	28.3	Very low	96 Å²	96	133.9 Å²	133.9	67%	0.671	75%	0.753	S	S	*	*			trans	30	104.6	136.9	59.7	0	0	0	0	123.9
215	S	27.6	Very low	28.4	Very low	114 Å²	114	134.9 Å²	134.9	80%	0.797	76%	0.755	S	S	*	*				44.1	118.8	117.1	64.7	0	0	0	0	124.4
216	E	29.5	Very low	28.4	Very low	192 Å²	192	136.6 Å²	136.6	90%	0.897	77%	0.766	S	S	*	*			trans	-161.2	129.3	132	-100.6	175.4	-178.8	0	0	105
217	L	28.6	Very low	28.3	Very low	157 Å²	157	137 Å²	137	82%	0.822	77%	0.769	S	S	*	*			cis	82.6	93.9	33.6	-158.1	155.2	0	0	0	114.6
218	I	31.6	Very low	28.6	Very low	149 Å²	149	134.6 Å²	134.6	76%	0.764	76%	0.762	S	S	*	*			trans	-165	133.1	146.5	-107.9	154.7	0	0	0	113.8
219	K	29.6	Very low	28.7	Very low	191 Å²	191	141.6 Å²	141.6	83%	0.83	77%	0.767	S	S	*	*			trans	52.5	120.4	153.9	-61.9	175.6	-179	174.4	0	122.8
220	S	25.3	Very low	28.8	Very low	109 Å²	109	144.6 Å²	144.6	76%	0.762	77%	0.766	S	S	*	*			trans	-73.3	172.2	160.6	50.6	0	0	0	0	114.7
221	V	27.5	Very low	29	Very low	125 Å²	125	146.5 Å²	146.5	76%	0.758	77%	0.766	S	S	*	*				179.8	124.9	124.2	141.8	0	0	0	0	112.2
222	M	28.3	Very low	29.2	Very low	161 Å²	161	145.6 Å²	145.6	79%	0.793	77%	0.771	S	S	*	*			trans	48.9	156.4	150.5	-56.6	-50.4	-166	0	0	121.8
223	D	29	Very low	29.1	Very low	130 Å²	130	146.7 Å²	146.7	70%	0.695	78%	0.779	S	S	*	*			cis	-152.6	154.3	-2.5	-136.2	-35.6	0	0	0	115.5
224	S	28.5	Very low	28.9	Very low	77 Å²	77	146.1 Å²	146.1	54%	0.538	78%	0.776	S	S	.	*			trans	49	135.2	148.1	88.3	0	0	0	0	125
225	K	28.8	Very low	28.9	Very low	194 Å²	194	151.6 Å²	151.6	84%	0.843	79%	0.788	S	S	*	*			trans	69.2	143.4	145.8	-65.8	157.7	-173.7	166.7	0	118.5
226	S	28.6	Very low	29	Very low	114 Å²	114	151.9 Å²	151.9	80%	0.797	79%	0.787	S	S	*	*			cis	-159.3	152.1	-6.4	46.8	0	0	0	0	111.4
227	E	25.1	Very low	29	Very low	186 Å²	186	146 Å²	146	87%	0.869	78%	0.778	S	S	*	*			trans	-90.7	-179.1	177.7	-119.9	-162.3	174.2	0	0	112.8
228	P	35.9	Very low	28.9	Very low	110 Å²	110	146.8 Å²	146.8	71%	0.714	78%	0.782	S	S	*	*				-112.7	-173	-124.9	42.7	-31.3	0	0	0	115.1
229	R	29.2	Very low	28.7	Very low	249 Å²	249	143.9 Å²	143.9	94%	0.94	78%	0.775	S	S	*	*			trans	-137.5	155.6	168.4	-90.3	-168.9	174.3	-177.5	-1.1	114.3
230	D	29.7	Very low	28.5	Very low	135 Å²	135	141.9 Å²	141.9	72%	0.722	77%	0.774	S	S	*	*			trans	-81.3	146.9	-161.5	-57.9	-87.2	0	0	0	117.8
231	I	28.6	Very low	28.7	Very low	157 Å²	157	146.4 Å²	146.4	81%	0.805	78%	0.783	S	S	*	*				65.3	143.3	127.2	-64.7	172.7	0	0	0	120
232	P	33.2	Very low	28.5	Very low	117 Å²	117	146 Å²	146	76%	0.76	79%	0.785	S	S	*	*			trans	-112.1	162.2	-164	41.8	-32.3	0	0	0	116.8
233	Q	27.2	Very low	28.6	Very low	174 Å²	174	144.4 Å²	144.4	81%	0.813	79%	0.79	S	S	*	*			trans	-152.2	149.7	169.2	-88.9	-175.9	9.9	0	0	107
234	N	26.5	Very low	28.4	Very low	132 Å²	132	147 Å²	147	71%	0.706	80%	0.795	S	S	*	*			cis	-146.1	165.9	11.6	-87.1	-46.6	0	0	0	112.1
235	F	28.7	Very low	28.4	Very low	210 Å²	210	150.1 Å²	150.1	92%	0.921	81%	0.806	S	S	*	*			trans	-141.5	120.9	158.5	-110.9	-68.2	0	0	0	109.2
236	P	29.9	Very low	28.5	Very low	121 Å²	121	150.1 Å²	150.1	79%	0.786	80%	0.8	S	S	*	*			trans	-142.5	160.5	154.1	37.5	-22.2	0	0	0	114.5
237	G	28.4	Very low	28.4	Very low	67 Å²	67	151.8 Å²	151.8	69%	0.691	80%	0.801	S	S	*	*			trans	89.6	128.3	175	0	0	0	0	0	113.9
238	L	26.4	Very low	28.5	Very low	174 Å²	174	148.9 Å²	148.9	91%	0.911	80%	0.801	S	S	*	*			cis	59.3	129.4	11.7	-64.9	168.8	0	0	0	114.2
239	S	27.8	Very low	28.1	Very low	89 Å²	89	149 Å²	149	62%	0.622	81%	0.805	S	S	*	*			cis	-160.6	171.3	1.8	58.2	0	0	0	0	113.2
240	N	25.7	Very low	28.1	Very low	149 Å²	149	148 Å²	148	80%	0.797	80%	0.8	S	S	*	*			trans	55.1	116.1	153.3	-60.5	-7.2	0	0	0	120.3
241	Q	28.7	Very low	28.1	Very low	204 Å²	204	150.4 Å²	150.4	95%	0.953	81%	0.805	S	S	*	*				-147	146.5	112.3	-113.1	177.1	35.4	0	0	110.9
242	S	24.6	Very low	27.9	Very low	117 Å²	117	147.3 Å²	147.3	82%	0.818	80%	0.803	S	S	*	*			trans	-127.7	139.1	-177	56.3	0	0	0	0	110.1
243	S	30.4	Very low	27.6	Very low	126 Å²	126	146.7 Å²	146.7	88%	0.881	80%	0.801	S	S	*	*			trans	-130.7	147.2	161.5	54.2	0	0	0	0	110.2
244	F	25.7	Very low	27.4	Very low	184 Å²	184	145.2 Å²	145.2	81%	0.807	80%	0.804	S	S	*	*			trans	-128.2	131	-171	-137.4	-84.7	0	0	0	106.9
245	D	28.3	Very low	27.4	Very low	143 Å²	143	143.6 Å²	143.6	77%	0.765	80%	0.802	S	S	*	*			trans	-174.5	124.9	146.1	-95.5	-25.7	0	0	0	106.9
246	R	30.2	Very low	27.3	Very low	194 Å²	194	138.3 Å²	138.3	73%	0.732	79%	0.788	S	S	*	*			cis	101.1	110.3	46.8	-90.5	-172.3	157.7	176.1	-2.6	111.9
247	N	25.5	Very low	27.2	Very low	150 Å²	150	138.8 Å²	138.8	80%	0.802	78%	0.784	S	S	*	*			trans	51.9	114.8	134.4	-55.4	-1.9	0	0	0	119.9
248	S	28.8	Very low	27.1	Very low	125 Å²	125	142.5 Å²	142.5	87%	0.874	79%	0.787	S	S	*	*				-145.6	164.3	117.9	68.1	0	0	0	0	110.5
249	S	25.9	Very low	27.3	Very low	113 Å²	113	138.5 Å²	138.5	79%	0.79	77%	0.771	S	S	*	*			trans	-143.7	156.5	-167.5	62	0	0	0	0	113.1
250	R	30.4	Very low	27.3	Very low	226 Å²	226	142.9 Å²	142.9	85%	0.853	78%	0.778	S	S	*	*			trans	-160.2	122.5	156.7	-102.8	153.9	-166.7	-144.9	2.3	108.3
251	K	30.3	Very low	27.1	Very low	187 Å²	187	141.1 Å²	141.1	81%	0.813	78%	0.777	S	S	*	*				65	120.3	103.6	-64.2	-168.8	-179.9	-169.1	0	112.9
252	A	24.3	Very low	27.1	Very low	92 Å²	92	143 Å²	143	76%	0.76	78%	0.777	S	S	*	*				64.2	135.1	64.5	0	0	0	0	0	111.8
253	S	25.1	Very low	27.3	Very low	104 Å²	104	141.4 Å²	141.4	73%	0.727	77%	0.771	S	S	*	*			cis	-177.1	164.6	5.6	41.4	0	0	0	0	110.7
254	V	24.1	Very low	27.4	Very low	143 Å²	143	140.7 Å²	140.7	87%	0.867	76%	0.763	S	S	*	*			trans	71.5	156.3	163.6	147.8	0	0	0	0	114.3
255	S	26.1	Very low	27.7	Very low	97 Å²	97	138.1 Å²	138.1	68%	0.678	76%	0.758	S	S	*	*			cis	-122	-118.8	16.7	61.8	0	0	0	0	117.4
256	T	27	Very low	27.8	Very low	100 Å²	100	140.3 Å²	140.3	61%	0.613	76%	0.763	S	S	*	*			trans	-159.5	-175.9	-138.3	46.7	0	0	0	0	113.7
257	D	28.6	Very low	27.5	Very low	131 Å²	131	134.8 Å²	134.8	70%	0.701	77%	0.766	S	S	*	*			trans	71.7	110.3	157.8	-46.1	-40.7	0	0	0	116.8
258	D	26.4	Very low	27.6	Very low	144 Å²	144	134.9 Å²	134.9	77%	0.77	77%	0.767	S	S	*	*				110.8	156	69.5	-107.3	-12.4	0	0	0	109.3
259	T	29.4	Very low	27.7	Very low	91 Å²	91	135.7 Å²	135.7	56%	0.558	76%	0.76	S	S	*	*			cis	-150.9	163.5	6.4	-2.9	0	0	0	0	111.7
260	K	27.9	Very low	27.7	Very low	180 Å²	180	135.9 Å²	135.9	78%	0.783	76%	0.76	S	S	*	*			trans	46.7	109.2	145.4	-69.8	155.9	-167.9	161.3	0	119.8
261	C	22.7	Very low	27.4	Very low	113 Å²	113	130.5 Å²	130.5	76%	0.764	75%	0.748	S	S	*	*				78.8	112.9	81.2	-70.2	0	0	0	0	115.9
262	Y	28.6	Very low	27.2	Very low	243 Å²	243	126.1 Å²	126.1	95%	0.953	75%	0.746	S	S	*	*				-165.1	145	127.4	-102.4	-66.6	0	0	0	111.8
263	A	27.1	Very low	27.3	Very low	84 Å²	84	127.6 Å²	127.6	69%	0.694	75%	0.745	S	S	*	*			trans	-146	170	167.6	0	0	0	0	0	105.5
264	P	34	Very low	27.4	Very low	111 Å²	111	127.6 Å²	127.6	72%	0.721	74%	0.743	S	S	*	*			cis	-148.6	-151.3	43.9	36.7	-10.7	0	0	0	114.6
265	N	31.3	Very low	27.5	Very low	130 Å²	130	127.9 Å²	127.9	70%	0.695	74%	0.738	S	S	*	*			trans	80.2	107.2	172.2	-56.9	4	0	0	0	114.5
266	E	29.4	Very low	27.5	Very low	189 Å²	189	130.2 Å²	130.2	88%	0.883	74%	0.741	S	S	*	*				77.5	133.4	67.6	-72	-175.8	161.3	0	0	112.9
267	G	25.6	Very low	27.4	Very low	77 Å²	77	131.2 Å²	131.2	79%	0.794	75%	0.748	S	S	*	*			cis	-172.7	29.7	3.4	0	0	0	0	0	116.1
268	D	26.7	Very low	27.3	Very low	153 Å²	153	136.1 Å²	136.1	82%	0.818	76%	0.756	S	S	*	*			trans	-122.3	99.1	-172.3	-117.7	-38.3	0	0	0	113
269	I	30.2	Very low	27.3	Very low	142 Å²	142	140.5 Å²	140.5	73%	0.728	76%	0.762	S	S	*	*			trans	-134.9	88.9	167.4	-50.5	-177.9	0	0	0	110	L271	I269-L271 HydrophobicContact CG2-CD2 4.28Å; I269-L271 HydrophobicContact CG2-CG 4.05Å; I269-L271 PolarHBondContact O-N 2.87Å
270	C	25.9	Very low	27.1	Very low	116 Å²	116	141 Å²	141	78%	0.784	78%	0.776	S	S	*	*			trans	-62.1	94.2	163.6	-79	0	0	0	0	110.3	A272	C270-A272 PolarHBondContact O-N 2.74Å
271	L	25.8	Very low	27.1	Very low	114 Å²	114	137.4 Å²	137.4	60%	0.597	77%	0.773	S	S	*	*			trans	-72.5	74.5	175.1	-77.3	159.2	0	0	0	111.1	I269 V273	I269-L271 HydrophobicContact CG2-CD2 4.28Å; I269-L271 HydrophobicContact CG2-CG 4.05Å; I269-L271 PolarHBondContact O-N 2.87Å; L271-V273 PolarHBondContact O-N 2.93Å
272	A	26	Very low	27.3	Very low	94 Å²	94	135.6 Å²	135.6	78%	0.777	77%	0.766	S	S	*	*			trans	-61.6	98.6	166.4	0	0	0	0	0	109.3	C270 P274	C270-A272 PolarHBondContact O-N 2.74Å; A272-P274 WeakPolarHBondContact O-CD 3.15Å
273	V	25.7	Very low	27.2	Very low	123 Å²	123	129.6 Å²	129.6	75%	0.745	76%	0.755	S	S	*	*			trans	-68.7	120.9	171.7	178.7	0	0	0	0	107.8	L271 I275	L271-V273 PolarHBondContact O-N 2.93Å; V273-I275 PolarHBondContact O-N 2.83Å; V273-I275 VanDerWaalsContact O-N 3.09Å
274	P	26.6	Very low	27.2	Very low	105 Å²	105	132.6 Å²	132.6	68%	0.682	76%	0.76	S	S	*	*			trans	-66.2	114.9	177.7	26.5	-33	0	0	0	109.2	A272 I276	A272-P274 WeakPolarHBondContact O-CD 3.15Å; P274-I276 PolarHBondContact O-N 2.8Å
275	I	26.7	Very low	26.8	Very low	149 Å²	149	138 Å²	138	76%	0.764	77%	0.767	S	S	*	*			trans	-67.6	103	168.1	-61.9	176.4	0	0	0	106.5	V273 T277	V273-I275 PolarHBondContact O-N 2.83Å; V273-I275 VanDerWaalsContact O-N 3.09Å; I275-T277 VanDerWaalsContact C-N 3.31Å; I275-T277 HydrophobicContact CG2-CG2 4.38Å; I275-T277 PolarHBondContact O-N 2.85Å
276	I	25.3	Very low	26.5	Very low	145 Å²	145	140.6 Å²	140.6	74%	0.744	78%	0.775	S	S	*	*			trans	-67.4	96.4	170.9	-60.2	177.8	0	0	0	107.2	P274 R278	P274-I276 PolarHBondContact O-N 2.8Å; I276-R278 VanDerWaalsContact C-N 3.26Å; I276-R278 PolarHBondContact O-N 2.95Å
277	T	25.9	Very low	26.4	Very low	122 Å²	122	139.6 Å²	139.6	75%	0.748	78%	0.775	S	S	*	*			trans	-66.5	83.7	173.4	42.9	0	0	0	0	109.6	I275 R279	I275-T277 VanDerWaalsContact C-N 3.31Å; I275-T277 HydrophobicContact CG2-CG2 4.38Å; I275-T277 PolarHBondContact O-N 2.85Å; T277-R279 PolarHBondContact O-N 2.84Å
278	R	26.1	Very low	26.5	Very low	233 Å²	233	143.9 Å²	143.9	88%	0.879	78%	0.779	S	S	*	*			trans	-54.2	115.6	165.7	-80.8	-173.5	168.7	-179.8	-2.6	108	I276 A280	I276-R278 VanDerWaalsContact C-N 3.26Å; I276-R278 PolarHBondContact O-N 2.95Å; R278-A280 PolarHBondContact O-N 3.38Å
279	R	27.2	Very low	26.5	Very low	236 Å²	236	143.5 Å²	143.5	89%	0.891	78%	0.777	S	S	*	*			trans	-49.8	113.9	178.4	-82.6	177.3	164.2	166.8	-6.2	110.4	T277 S281	T277-R279 PolarHBondContact O-N 2.84Å; R279-S281 VanDerWaalsContact C-N 3.34Å; R279-S281 PolarHBondContact O-N 3.13Å
280	A	23.7	Very low	26.3	Very low	102 Å²	102	144.1 Å²	144.1	84%	0.843	78%	0.781	S	S	*	*			trans	-74.2	94.4	152.1	0	0	0	0	0	106.9	R278 A282	R278-A280 PolarHBondContact O-N 3.38Å; A280-A282 PolarHBondContact O-N 2.73Å
281	S	28.5	Very low	26.4	Very low	104 Å²	104	150.5 Å²	150.5	73%	0.727	79%	0.789	S	S	*	*			trans	-79.3	116.7	177.8	53.2	0	0	0	0	110.6	R279	R279-S281 VanDerWaalsContact C-N 3.34Å; R279-S281 PolarHBondContact O-N 3.13Å
282	A	27.9	Very low	26.4	Very low	76 Å²	76	150.8 Å²	150.8	63%	0.628	80%	0.801	S	S	*	*			trans	55.8	79.6	168.3	0	0	0	0	0	116.3	A280	A280-A282 PolarHBondContact O-N 2.73Å
283	T	25.6	Very low	26.4	Very low	116 Å²	116	149.8 Å²	149.8	71%	0.712	80%	0.799	S	S	*	*			trans	-105.7	92	137.9	53.3	0	0	0	0	107.8	Y285	T283-Y285 PolarHBondContact O-N 3.03Å; T283-Y285 VanDerWaalsContact O-N 3.15Å
284	D	27.3	Very low	26.5	Very low	148 Å²	148	154 Å²	154	79%	0.791	81%	0.807	S	S	*	*			trans	-69.7	111.9	-179.6	-58.3	-32.4	0	0	0	109.4
285	Y	25.5	Very low	26.5	Very low	224 Å²	224	153.9 Å²	153.9	88%	0.878	81%	0.809	S	S	*	*			trans	-114.3	42.7	-179.3	-111.8	-74.5	0	0	0	111.3	T283	T283-Y285 PolarHBondContact O-N 3.03Å; T283-Y285 VanDerWaalsContact O-N 3.15Å
286	E	25.5	Very low	26.5	Very low	184 Å²	184	156.6 Å²	156.6	86%	0.86	82%	0.815	S	S	*	*			trans	-140	87.5	176.1	-115.3	174.1	-134.8	0	0	110.1
287	L	26.8	Very low	26.3	Very low	168 Å²	168	160.4 Å²	160.4	88%	0.88	82%	0.82	S	S	*	*			trans	-168.2	57	161.8	-111.8	170.1	0	0	0	111.6
288	L	26.9	Very low	26.4	Very low	167 Å²	167	162.8 Å²	162.8	87%	0.874	83%	0.828	S	S	*	*			trans	-136.6	74.1	164.6	-84.9	178.6	0	0	0	109.9
289	D	27.8	Very low	26.2	Very low	145 Å²	145	158 Å²	158	78%	0.775	82%	0.818	S	S	*	*	S	Bend		-171.4	169.5	120.9	-95.6	-26.6	0	0	0	110.9
290	N	24.7	Very low	26.2	Very low	155 Å²	155	154.1 Å²	154.1	83%	0.829	82%	0.815	S	S	*	*			trans	62.7	85.6	174.4	-62	-39.9	0	0	0	117.9
291	R	29.7	Very low	26.2	Very low	251 Å²	251	152.9 Å²	152.9	95%	0.947	81%	0.805	S	S	*	*				-162.5	132.1	105.6	-106.5	168.8	-171.8	-168.5	2	114.1
292	S	24.2	Very low	26	Very low	120 Å²	120	154.1 Å²	154.1	84%	0.839	81%	0.81	S	S	*	*			trans	-87.1	148.4	172.3	47.3	0	0	0	0	111.7
293	G	26.1	Very low	26	Very low	72 Å²	72	157.8 Å²	157.8	74%	0.742	82%	0.818	S	S	*	*			trans	90.1	133.9	173.8	0	0	0	0	0	114
294	K	28.6	Very low	25.9	Very low	212 Å²	212	157.1 Å²	157.1	92%	0.922	82%	0.818	S	S	*	*			cis	-136.4	159.1	18.1	-70.9	177.2	176.1	177.5	0	112.4
295	S	25.6	Very low	25.8	Very low	103 Å²	103	157 Å²	157	72%	0.72	82%	0.816	S	S	*	*			trans	-66.4	132.6	171.4	176.8	0	0	0	0	112.2
296	K	27	Very low	25.7	Very low	205 Å²	205	152.2 Å²	152.2	89%	0.891	81%	0.81	S	S	*	*			trans	-129	121.5	138.6	-92	-168	172.5	-174.2	0	107.8	L298	K296-L298 PolarHBondContact O-N 2.86Å
297	R	22.3	Very low	25.7	Very low	225 Å²	225	148.3 Å²	148.3	85%	0.849	80%	0.799	S	S	*	*			trans	-69.4	125.2	167.1	-70.4	177	174.2	166.2	-3.7	107.9
298	L	26.3	Very low	25.6	Very low	172 Å²	172	146.2 Å²	146.2	90%	0.901	79%	0.793	S	S	*	*			trans	-106.7	114.3	151.3	-99.9	163.3	0	0	0	106.3	K296	K296-L298 PolarHBondContact O-N 2.86Å
299	I	23.2	Very low	25.6	Very low	134 Å²	134	144.4 Å²	144.4	69%	0.687	78%	0.784	S	S	*	*			trans	-80.3	135	165.2	-64.9	159.8	0	0	0	105.3
300	D	26.6	Very low	25.6	Very low	153 Å²	153	144 Å²	144	82%	0.818	79%	0.787	S	S	*	*			trans	-169.4	144.1	133.4	-100.2	-28.6	0	0	0	114.6
301	A	23.8	Very low	25.7	Very low	77 Å²	77	144.5 Å²	144.5	64%	0.636	79%	0.785	S	S	*	*			trans	25.6	118.9	162.7	0	0	0	0	0	121
302	P	25	Very low	25.5	Very low	129 Å²	129	137.2 Å²	137.2	84%	0.838	78%	0.778	S	S	*	*			trans	-75.2	127.6	155.9	32.2	-30.5	0	0	0	110.4	S304	P302-S304 PolarHBondContact O-N 3.42Å
303	I	27.3	Very low	25.7	Very low	153 Å²	153	140.4 Å²	140.4	79%	0.785	78%	0.78	S	S	*	*			trans	-82.5	110.1	168.4	-62	177.1	0	0	0	108.5	I305	I303-I305 PolarHBondContact O-N 3.2Å
304	S	23.5	Very low	25.7	Very low	102 Å²	102	144.1 Å²	144.1	71%	0.713	78%	0.782	S	S	*	*			trans	-66.2	112	167.4	52.5	0	0	0	0	109.9	P302 T306	P302-S304 PolarHBondContact O-N 3.42Å; S304-T306 PolarHBondContact O-N 3.27Å; S304-T306 VanDerWaalsContact O-N 3.17Å
305	I	26.3	Very low	25.7	Very low	146 Å²	146	142.1 Å²	142.1	75%	0.749	78%	0.781	S	S	*	*			trans	-80.9	93.5	169.9	-57.9	174.3	0	0	0	107.4	I303 V307	I303-I305 PolarHBondContact O-N 3.2Å; I305-V307 HydrophobicContact CG2-CG2 4.04Å; I305-V307 PolarHBondContact O-N 2.92Å; I305-V307 VanDerWaalsContact O-N 3.08Å
306	T	22.5	Very low	25.9	Very low	123 Å²	123	140.7 Å²	140.7	76%	0.755	78%	0.783	S	S	*	*			trans	-66.7	101.2	160.4	17.7	0	0	0	0	108	S304 T308	S304-T306 PolarHBondContact O-N 3.27Å; S304-T306 VanDerWaalsContact O-N 3.17Å; T306-T308 PolarHBondContact O-N 3.24Å
307	V	25.4	Very low	25.8	Very low	102 Å²	102	138.6 Å²	138.6	62%	0.618	78%	0.782	S	S	*	*			trans	-72.5	104.6	164.5	-178	0	0	0	0	106.5	I305 D309	I305-V307 HydrophobicContact CG2-CG2 4.04Å; I305-V307 PolarHBondContact O-N 2.92Å; I305-V307 VanDerWaalsContact O-N 3.08Å; V307-D309 VanDerWaalsContact C-N 3.27Å; V307-D309 WeakPolarHBondContact CG1-OD1 3.25Å; V307-D309 PolarHBondContact O-N 3.43Å
308	T	25.2	Very low	26.1	Very low	124 Å²	124	135.7 Å²	135.7	76%	0.761	78%	0.782	S	S	*	*			trans	-74.4	89.2	163	52	0	0	0	0	107.3	T306 T310	T306-T308 PolarHBondContact O-N 3.24Å; T308-T310 PolarHBondContact O-N 2.88Å
309	D	25.5	Very low	26.3	Very low	129 Å²	129	133 Å²	133	69%	0.69	77%	0.773	S	S	*	*			trans	-61.5	107.3	169.8	-77.7	-41.6	0	0	0	108.4	V307 Q311	V307-D309 VanDerWaalsContact C-N 3.27Å; V307-D309 WeakPolarHBondContact CG1-OD1 3.25Å; V307-D309 PolarHBondContact O-N 3.43Å; D309-Q311 PolarHBondContact O-N 3.26Å
310	T	28	Very low	26.3	Very low	137 Å²	137	133.5 Å²	133.5	84%	0.84	78%	0.776	S	S	*	*			trans	-71.8	84.5	165.3	52	0	0	0	0	107.5	T308 A312	T308-T310 PolarHBondContact O-N 2.88Å; T310-A312 PolarHBondContact O-N 3.5Å
311	Q	27.3	Very low	26.4	Very low	166 Å²	166	136 Å²	136	78%	0.776	78%	0.78	S	S	*	*			trans	-57.3	131	171.1	-73.1	-175.1	-35.8	0	0	108.9	D309 E313	D309-Q311 PolarHBondContact O-N 3.26Å; Q311-E313 PolarHBondContact O-N 2.91Å
312	A	25.4	Very low	26.4	Very low	98 Å²	98	138.4 Å²	138.4	81%	0.81	78%	0.782	S	S	*	*			trans	-82.2	90.3	168.1	0	0	0	0	0	107.8	T310 L314	T310-A312 PolarHBondContact O-N 3.5Å; A312-L314 PolarHBondContact O-N 3.43Å
313	E	28.2	Very low	26.6	Very low	187 Å²	187	139.5 Å²	139.5	87%	0.874	78%	0.781	S	S	*	*			trans	-70.4	115.9	161.6	-70.3	-168.6	134.3	0	0	108.2	Q311	Q311-E313 PolarHBondContact O-N 2.91Å
314	L	27.5	Very low	26.7	Very low	149 Å²	149	139.2 Å²	139.2	78%	0.78	78%	0.781	S	S	*	*			trans	-133.5	88.9	178	-171.9	137.6	0	0	0	107.8	A312	A312-L314 PolarHBondContact O-N 3.43Å
315	D	27.7	Very low	26.7	Very low	170 Å²	170	143 Å²	143	91%	0.909	79%	0.79	S	S	*	*			trans	-178.9	153.3	154.1	-95.6	-25.7	0	0	0	109.2
316	G	30.3	Very low	26.8	Very low	74 Å²	74	144.6 Å²	144.6	76%	0.763	79%	0.793	S	S	*	*			trans	121.3	82.8	172	0	0	0	0	0	115.6
317	N	24.1	Very low	26.8	Very low	161 Å²	161	143.3 Å²	143.3	86%	0.861	80%	0.795	S	S	*	*			trans	-54.1	140.9	176.3	-57.1	-62.9	0	0	0	114.2
318	L	30	Very low	27	Very low	164 Å²	164	146.1 Å²	146.1	86%	0.859	81%	0.806	S	S	*	*			trans	-149.5	118.7	136.3	-139.4	84.4	0	0	0	113.8
319	T	28.7	Very low	27	Very low	116 Å²	116	144.7 Å²	144.7	71%	0.712	80%	0.801	S	S	*	*			trans	5.1	115.9	159.7	55.8	0	0	0	0	121.2
320	L	24.7	Very low	26.9	Very low	143 Å²	143	145 Å²	145	75%	0.749	81%	0.808	S	S	*	*				24.3	115.5	120.7	-84.9	157.6	0	0	0	118.8
321	K	27.7	Very low	26.9	Very low	206 Å²	206	144.3 Å²	144.3	90%	0.896	81%	0.806	S	S	*	*				-139.2	119.3	118.6	-101.9	-168.3	175.2	-169	0	109.8
322	N	24.5	Very low	26.7	Very low	127 Å²	127	139.1 Å²	139.1	68%	0.679	80%	0.796	S	S	*	*			trans	-79.6	155.9	156.7	-64.8	-17.4	0	0	0	108
323	D	28.6	Very low	26.7	Very low	153 Å²	153	142.1 Å²	142.1	82%	0.818	80%	0.798	S	S	*	*				-165.4	169.6	123.3	-89.9	-30.5	0	0	0	109.7
324	D	28.9	Very low	26.4	Very low	147 Å²	147	142.4 Å²	142.4	79%	0.786	80%	0.797	S	S	*	*			trans	58.9	74.8	172.8	-63.6	-12.9	0	0	0	118.9	H326	D324-H326 PolarHBondContact O-N 3.41Å
325	M	24.3	Very low	26.3	Very low	182 Å²	182	140.9 Å²	140.9	90%	0.897	79%	0.793	S	S	*	*			trans	-67.7	110.8	148.9	-79.3	-100.7	78.4	0	0	110.8
326	H	28.1	Very low	26.2	Very low	178 Å²	178	140.1 Å²	140.1	82%	0.824	78%	0.784	S	S	*	*			trans	-128	132.3	155.2	-90.5	-73.6	0	0	0	111.2	D324	D324-H326 PolarHBondContact O-N 3.41Å
327	A	23.7	Very low	26	Very low	96 Å²	96	140.9 Å²	140.9	79%	0.793	77%	0.771	S	S	*	*			trans	-85.5	147.4	-174.9	0	0	0	0	0	112.2
328	L	27.8	Very low	26.3	Very low	162 Å²	162	140.1 Å²	140.1	85%	0.848	76%	0.762	S	S	*	*			trans	-154.4	115.9	153.8	-111.2	165.9	0	0	0	112.5
329	S	25.2	Very low	26	Very low	94 Å²	94	140.4 Å²	140.4	66%	0.657	75%	0.752	S	S	*	*			trans	31.4	122.8	151.9	60.2	0	0	0	0	121.5
330	T	23.4	Very low	25.9	Very low	136 Å²	136	143.9 Å²	143.9	83%	0.834	76%	0.757	S	S	*	*			trans	-47.2	127.5	150.1	-24.1	0	0	0	0	111.4	G332	T330-G332 PolarHBondContact O-N 2.87Å
331	P	29.3	Very low	26	Very low	122 Å²	122	142 Å²	142	79%	0.792	75%	0.752	S	S	*	*			trans	-72.3	112.3	172.1	28	-32.2	0	0	0	110
332	G	23.3	Very low	26	Very low	56 Å²	56	144 Å²	144	58%	0.577	75%	0.754	S	S	*	*			trans	-65.6	145.5	175.2	0	0	0	0	0	112	T330 F334	T330-G332 PolarHBondContact O-N 2.87Å; G332-F334 PolarHBondContact O-N 3.5Å
333	L	24.5	Very low	26.1	Very low	161 Å²	161	148 Å²	148	84%	0.843	76%	0.759	S	S	*	*			trans	-80.2	66.8	-173.4	-145.5	166	0	0	0	111.5	V335	L333-V335 HydrophobicContact CD2-CG2 3.71Å; L333-V335 PolarHBondContact O-N 2.89Å
334	F	21.9	Very low	26.1	Very low	194 Å²	194	146.2 Å²	146.2	85%	0.851	75%	0.75	S	S	*	*			trans	-73.3	110.8	171.7	-90.2	-87.2	0	0	0	110.3	G332 E336	G332-F334 PolarHBondContact O-N 3.5Å; F334-E336 PolarHBondContact O-N 2.69Å
335	V	26.1	Very low	26	Very low	117 Å²	117	143.3 Å²	143.3	71%	0.709	74%	0.741	S	S	*	*			trans	-88.8	90.9	171.1	-178	0	0	0	0	108.1	L333 D337	L333-V335 HydrophobicContact CD2-CG2 3.71Å; L333-V335 PolarHBondContact O-N 2.89Å; V335-D337 PolarHBondContact O-N 3.37Å
336	E	25.8	Very low	26.5	Very low	154 Å²	154	136.7 Å²	136.7	72%	0.72	71%	0.709	S	S	*	*			trans	-69.1	120.3	165.4	-75.1	-165.3	139.1	0	0	109.7	F334 Q338	F334-E336 PolarHBondContact O-N 2.69Å; E336-Q338 VanDerWaalsContact C-N 3.26Å; E336-Q338 PolarHBondContact O-N 2.84Å
337	D	25.3	Very low	26.5	Very low	89 Å²	89	132.5 Å²	132.5	48%	0.476	69%	0.692	S	S	.	*			trans	-79.8	72.1	-178.4	-167.4	29.4	0	0	0	110.6	V335 R339	V335-D337 PolarHBondContact O-N 3.37Å; D337-R339 PolarHBondContact O-N 2.95Å; D337-R339 IonicContact OD1-NE 3.43Å; D337-R339 IonicContact OD2-CZ 2.66Å; D337-R339 IonicContact OD2-NE 2.68Å; D337-R339 PolarHBondContact OD2-NE 2.88Å; D337-R339 IonicContact OD2-NH2 3.72Å; D337-R339 PolarHBondContact OD2-NH2 2.86Å
338	Q	30.1	Very low	26.9	Very low	146 Å²	146	129.9 Å²	129.9	68%	0.682	67%	0.668	S	S	*	*			trans	-68.1	69.9	178.1	-72.5	-166.9	-2.3	0	0	112.6	E336	E336-Q338 VanDerWaalsContact C-N 3.26Å; E336-Q338 PolarHBondContact O-N 2.84Å
339	R	24.8	Very low	27.1	Very low	170 Å²	170	130.1 Å²	130.1	64%	0.642	66%	0.659	S	S	*	*			trans	-66.4	135.6	156.6	-53.9	-176.7	-161.5	-148.1	-0.9	107.3	D337	D337-R339 PolarHBondContact O-N 2.95Å; D337-R339 IonicContact OD1-NE 3.43Å; D337-R339 IonicContact OD2-CZ 2.66Å; D337-R339 IonicContact OD2-NE 2.68Å; D337-R339 PolarHBondContact OD2-NE 2.88Å; D337-R339 IonicContact OD2-NH2 3.72Å; D337-R339 PolarHBondContact OD2-NH2 2.86Å
340	F	26.5	Very low	27.6	Very low	189 Å²	189	128.8 Å²	128.8	83%	0.829	65%	0.65	S	S	*	*			trans	68.4	87.8	-175.2	-59	-88.9	0	0	0	116.8
341	T	25.8	Very low	27.9	Very low	103 Å²	103	127.5 Å²	127.5	63%	0.632	64%	0.641	S	S	*	*			trans	-136.9	97.8	132.4	-54.4	0	0	0	0	109.6	R343	T341-R343 VanDerWaalsContact C-N 3.34Å; T341-R343 HydrophobicContact CG2-CB 4.34Å; T341-R343 HydrophobicContact CG2-CG 4.3Å; T341-R343 PolarHBondContact O-N 2.92Å
342	R	27.1	Very low	28	Very low	248 Å²	248	126.8 Å²	126.8	94%	0.936	64%	0.637	S	S	*	*			trans	-75.4	84.8	168.9	-84.7	-169.9	175.8	-171.7	1.2	109.6
343	R	27	Very low	28.5	Very low	211 Å²	211	128 Å²	128	80%	0.796	63%	0.633	S	S	*	*			trans	-141	136.4	164.7	-73.5	-170	169.3	151.9	-1.3	110.3	T341 S345	T341-R343 VanDerWaalsContact C-N 3.34Å; T341-R343 HydrophobicContact CG2-CB 4.34Å; T341-R343 HydrophobicContact CG2-CG 4.3Å; T341-R343 PolarHBondContact O-N 2.92Å; R343-S345 VanDerWaalsContact C-N 3.3Å; R343-S345 PolarHBondContact O-N 2.67Å
344	N	28.3	Very low	28.8	Very low	116 Å²	116	126.3 Å²	126.3	62%	0.62	63%	0.629	S	S	*	*			trans	-71.9	85.8	169.8	-62.9	-10.9	0	0	0	108.5	L346 E554	N344-L346 PolarHBondContact O-N 2.67Å; N344-E554 PolarHBondContact ND2-OE1 3.39Å
345	S	28.7	Very low	29.4	Very low	86 Å²	86	122.3 Å²	122.3	60%	0.601	62%	0.62	S	S	*	*			trans	-77.1	71.4	175.5	43.4	0	0	0	0	111.1	R343 L347	R343-S345 VanDerWaalsContact C-N 3.3Å; R343-S345 PolarHBondContact O-N 2.67Å; S345-L347 PolarHBondContact O-N 3.11Å
346	L	33.7	Very low	29.5	Very low	43 Å²	43	126 Å²	126	23%	0.225	63%	0.627	C	S	.	*			trans	-57.7	105.7	163.5	-92.7	158.3	0	0	0	109.1	N344 S348 M550 E554	N344-L346 PolarHBondContact O-N 2.67Å; L346-S348 PolarHBondContact O-N 3.42Å; L346-S348 PolarHBondContact O-OG 2.88Å; L346-M550 HydrophobicContact CD1-CB 4.24Å; L346-E554 HydrophobicContact CD1-CB 4.23Å; L346-E554 WeakPolarHBondContact CD1-OE2 3.42Å
347	L	29.2	Very low	29.8	Very low	90 Å²	90	121.6 Å²	121.6	47%	0.471	62%	0.623	S	S	.	*			trans	-76.3	58.3	166.5	-80.5	164.3	0	0	0	109.8	S345 Y349 I416	S345-L347 PolarHBondContact O-N 3.11Å; L347-Y349 VanDerWaalsContact C-N 3.29Å; L347-Y349 HydrophobicContact CD2-CE2 4.18Å; L347-Y349 PolarHBondContact O-N 3.13Å; L347-I416 HydrophobicContact CB-CD1 4.42Å; L347-I416 WeakPolarHBondContact O-CD1 3.28Å
348	S	31.6	Very low	29.8	Very low	41 Å²	41	125.6 Å²	125.6	29%	0.287	64%	0.636	S	S	.	*			trans	-78.8	71.3	-175.1	46.9	0	0	0	0	111.7	L346 S350	L346-S348 PolarHBondContact O-N 3.42Å; L346-S348 PolarHBondContact O-OG 2.88Å; S348-S350 PolarHBondContact O-N 2.79Å
349	Y	31.5	Very low	29.8	Very low	167 Å²	167	126.1 Å²	126.1	66%	0.655	64%	0.638	S	S	*	*			trans	-63.3	83.1	167.3	-73.1	-78.1	0	0	0	110.7	L347 I416	L347-Y349 VanDerWaalsContact C-N 3.29Å; L347-Y349 HydrophobicContact CD2-CE2 4.18Å; L347-Y349 PolarHBondContact O-N 3.13Å; Y349-I416 HydrophobicContact CD2-CG2 4.4Å; Y349-I416 HydrophobicContact CE2-CG2 4.46Å
350	S	34.9	Very low	29.9	Very low	66 Å²	66	124.3 Å²	124.3	46%	0.462	64%	0.641	S	S	.	*			trans	-91.6	142.9	-178.8	55.8	0	0	0	0	111.4	S348 P352	S348-S350 PolarHBondContact O-N 2.79Å; S350-P352 WeakPolarHBondContact O-CD 3.46Å
351	T	29.8	Very low	30	Very low	108 Å²	108	123 Å²	123	66%	0.663	64%	0.637	S	S	*	*			trans	-101.2	102.7	166.3	-18.8	0	0	0	0	107.4	V353	T351-V353 PolarHBondContact O-N 2.93Å
352	P	31.4	Very low	30	Very low	107 Å²	107	126.9 Å²	126.9	70%	0.695	65%	0.648	S	S	*	*			trans	-70.7	98.5	-179.9	27.8	-33.7	0	0	0	110.1	S350 V354	S350-P352 WeakPolarHBondContact O-CD 3.46Å; P352-V354 PolarHBondContact O-N 2.81Å
353	V	34.1	Very low	30.2	Very low	83 Å²	83	120.9 Å²	120.9	50%	0.503	64%	0.642	S	S	.	*			trans	-81.6	96.9	174.1	-178.6	0	0	0	0	108.5	T351 V355	T351-V353 PolarHBondContact O-N 2.93Å; V353-V355 PolarHBondContact O-N 2.82Å
354	V	30.6	Very low	30.4	Very low	125 Å²	125	117.4 Å²	117.4	76%	0.758	64%	0.644	S	S	*	*			trans	-66.5	104.1	172.7	-179.4	0	0	0	0	108.8	P352 K356	P352-V354 PolarHBondContact O-N 2.81Å; V354-K356 PolarHBondContact O-N 2.93Å; V354-K356 VanDerWaalsContact O-N 3.11Å
355	V	34.6	Very low	30.4	Very low	109 Å²	109	120.8 Å²	120.8	66%	0.661	66%	0.656	S	S	*	*			trans	-72.3	102.2	170.6	-179.3	0	0	0	0	107.7	V353 G357	V353-V355 PolarHBondContact O-N 2.82Å; V355-G357 VanDerWaalsContact C-N 3.33Å; V355-G357 PolarHBondContact O-N 2.82Å
356	K	28.8	Very low	30.6	Very low	196 Å²	196	123.6 Å²	123.6	85%	0.852	67%	0.665	S	S	*	*			trans	-66.1	97.3	162.1	-76.9	-167.9	174.5	-171.4	0	107.9	V354	V354-K356 PolarHBondContact O-N 2.93Å; V354-K356 VanDerWaalsContact O-N 3.11Å
357	G	31.5	Very low	30.7	Very low	61 Å²	61	127.2 Å²	127.2	63%	0.629	68%	0.684	S	S	*	*			trans	-59.3	139.1	164.5	0	0	0	0	0	109.4	V355 E359	V355-G357 VanDerWaalsContact C-N 3.33Å; V355-G357 PolarHBondContact O-N 2.82Å; G357-E359 PolarHBondContact O-N 3.23Å
358	K	26.3	Very low	30.8	Very low	173 Å²	173	130.1 Å²	130.1	75%	0.752	69%	0.693	S	S	*	*			trans	-77.9	110.9	159.8	-79.8	-178.5	147.3	-133.5	0	107.4	D360	K358-D360 IonicContact NZ-OD1 3.38Å; K358-D360 PolarHBondContact O-N 2.95Å
359	E	29.9	Very low	30.6	Very low	157 Å²	157	136.2 Å²	136.2	73%	0.734	72%	0.717	S	S	*	*			trans	-80.1	84.4	157.3	-74.4	171.2	156.1	0	0	106.3	G357 Q361	G357-E359 PolarHBondContact O-N 3.23Å; E359-Q361 PolarHBondContact O-N 3.13Å
360	D	26.6	Very low	30.5	Very low	131 Å²	131	138.2 Å²	138.2	70%	0.701	73%	0.729	S	S	*	*			trans	-73.2	77.5	166.6	-65.9	-41	0	0	0	107	K358	K358-D360 IonicContact NZ-OD1 3.38Å; K358-D360 PolarHBondContact O-N 2.95Å
361	Q	29.2	Very low	30.1	Very low	161 Å²	161	143.6 Å²	143.6	75%	0.752	75%	0.746	S	S	*	*			trans	-106.7	118.2	171.8	-84.7	-171.7	-46.3	0	0	109.9	E359	E359-Q361 PolarHBondContact O-N 3.13Å
362	E	25.8	Very low	30.2	Very low	185 Å²	185	143.8 Å²	143.8	86%	0.864	75%	0.749	S	S	*	*			trans	-70.4	128.4	166.3	-64.5	178.8	125.1	0	0	109.4	T364	E362-T364 PolarHBondContact O-N 3.05Å
363	P	30.9	Very low	29.8	Very low	123 Å²	123	143.2 Å²	143.2	80%	0.799	75%	0.748	S	S	*	*			trans	-82.6	99.8	173	32	-31.3	0	0	0	109.9
364	T	31.4	Very low	29.7	Very low	138 Å²	138	146 Å²	146	85%	0.847	77%	0.766	S	S	*	*			trans	-72	123.5	155.6	41.3	0	0	0	0	109.1	E362	E362-T364 PolarHBondContact O-N 3.05Å
365	E	28.9	Very low	29.5	Very low	187 Å²	187	148.1 Å²	148.1	87%	0.874	77%	0.767	S	S	*	*			trans	-67.1	125.8	172	-56.2	179.3	126.9	0	0	109.9
366	D	31.9	Very low	29.4	Very low	145 Å²	145	151 Å²	151	78%	0.775	78%	0.777	S	S	*	*				-174.3	169.1	116	-118.1	-40.2	0	0	0	114.1
367	D	34.9	Very low	29.2	Very low	119 Å²	119	150.2 Å²	150.2	64%	0.636	78%	0.777	S	S	*	*			trans	56.5	79.1	164.5	-78.2	-24.8	0	0	0	121.9
368	K	32.2	Very low	29.1	Very low	151 Å²	151	154.3 Å²	154.3	66%	0.657	78%	0.784	S	S	*	*				50	129	109.4	-63.2	-175.2	-155.8	86.9	0	121.4
369	H	28.3	Very low	29.2	Very low	169 Å²	169	155.3 Å²	155.3	78%	0.782	78%	0.783	S	S	*	*			trans	70.6	102.5	153.3	-57.6	-55.6	0	0	0	119.5
370	F	28.2	Very low	29	Very low	208 Å²	208	154.8 Å²	154.8	91%	0.912	78%	0.784	S	S	*	*				-163.7	135.1	113.6	-109	-72.5	0	0	0	112.2
371	H	26.9	Very low	29.1	Very low	179 Å²	179	155.7 Å²	155.7	83%	0.829	78%	0.784	S	S	*	*			trans	-133.7	138	163.2	-95.3	-47.9	0	0	0	106.2
372	P	30.9	Very low	28.8	Very low	112 Å²	112	154.9 Å²	154.9	73%	0.727	79%	0.785	S	S	*	*				-133.6	145	79.8	14.7	8.7	0	0	0	112.5
373	S	24.7	Very low	28.9	Very low	96 Å²	96	151.9 Å²	151.9	67%	0.671	78%	0.784	S	S	*	*				81.1	100.2	53	84	0	0	0	0	115.8
374	T	32.1	Very low	28.7	Very low	141 Å²	141	151.2 Å²	151.2	87%	0.865	78%	0.782	S	S	*	*			trans	-154	158.2	148.1	9.4	0	0	0	0	111.8
375	E	25.8	Very low	28.4	Very low	170 Å²	170	149.8 Å²	149.8	79%	0.794	78%	0.778	S	S	*	*			trans	-68.1	152.1	-165.3	-56.9	130.5	115.9	0	0	115.9
376	I	31.7	Very low	28.2	Very low	168 Å²	168	150.6 Å²	150.6	86%	0.862	78%	0.779	S	S	*	*				-152.7	128.4	108.7	-95.3	154.3	0	0	0	108
377	Q	25.4	Very low	27.8	Very low	181 Å²	181	153.7 Å²	153.7	85%	0.846	79%	0.786	S	S	*	*			trans	-125.1	101.1	-176.8	-178.9	178.6	-0	0	0	110.2
378	N	29.8	Very low	27.4	Very low	147 Å²	147	154.1 Å²	154.1	79%	0.786	80%	0.798	S	S	*	*			trans	-172.1	149.3	168.8	-91.9	-46.6	0	0	0	108.9
379	R	26.9	Very low	27	Very low	193 Å²	193	150.4 Å²	150.4	73%	0.728	80%	0.802	S	S	*	*			cis	-163.3	139.9	-26.8	175.6	170.9	159.8	166.5	-8.5	105.8	E381	R379-E381 IonicContact CZ-OE1 3.64Å; R379-E381 IonicContact NE-OE1 3.6Å; R379-E381 PolarHBondContact NE-OE1 3.28Å; R379-E381 IonicContact NH2-OE1 3.28Å; R379-E381 PolarHBondContact NH2-OE1 2.96Å
380	I	26.2	Very low	26.9	Very low	147 Å²	147	149.9 Å²	149.9	75%	0.754	81%	0.805	S	S	*	*			trans	-78.6	125.7	176.5	-60.6	171.4	0	0	0	109.1
381	E	28.2	Very low	26.7	Very low	150 Å²	150	148.6 Å²	148.6	70%	0.701	80%	0.801	S	S	*	*			trans	-144.1	153.6	159.3	-109.7	159.3	-128.4	0	0	109.3	R379	R379-E381 IonicContact CZ-OE1 3.64Å; R379-E381 IonicContact NE-OE1 3.6Å; R379-E381 PolarHBondContact NE-OE1 3.28Å; R379-E381 IonicContact NH2-OE1 3.28Å; R379-E381 PolarHBondContact NH2-OE1 2.96Å
382	N	24.4	Very low	26.9	Very low	144 Å²	144	145.2 Å²	145.2	77%	0.77	79%	0.794	S	S	*	*			trans	-111.2	176.2	-155.2	-86.1	-39.9	0	0	0	114.1
383	S	27	Very low	26.7	Very low	122 Å²	122	146.5 Å²	146.5	85%	0.853	79%	0.794	S	S	*	*			trans	83.7	147.7	170.6	81.9	0	0	0	0	116.4
384	S	27.8	Very low	26.8	Very low	109 Å²	109	150.4 Å²	150.4	76%	0.762	80%	0.802	S	S	*	*			cis	-117.5	149.8	4.2	55.5	0	0	0	0	113.4
385	S	23.6	Very low	26.4	Very low	107 Å²	107	148.7 Å²	148.7	75%	0.748	80%	0.796	S	S	*	*			trans	-103.6	145	176.8	48.3	0	0	0	0	111.2
386	F	25.9	Very low	26.6	Very low	204 Å²	204	147.7 Å²	147.7	90%	0.895	79%	0.794	S	S	*	*			trans	-137.6	95.2	163.3	-100.3	-81.7	0	0	0	109.2
387	F	23.2	Very low	26.4	Very low	211 Å²	211	147.3 Å²	147.3	93%	0.925	79%	0.794	S	S	*	*			trans	-155	98.5	171.6	-124	-68.8	0	0	0	110.9
388	S	25.4	Very low	26.5	Very low	127 Å²	127	145.2 Å²	145.2	89%	0.888	79%	0.787	S	S	*	*			trans	178.9	142.8	155.7	42.6	0	0	0	0	106.3
389	G	23.7	Very low	26.3	Very low	73 Å²	73	145.1 Å²	145.1	75%	0.753	79%	0.787	S	S	*	*	S	Bend	trans	158.9	-9.6	-178	0	0	0	0	0	118.9
390	L	26.9	Very low	26.4	Very low	158 Å²	158	140.7 Å²	140.7	83%	0.827	78%	0.781	S	S	*	*			trans	-165.2	134.3	147.5	-132.9	72.8	0	0	0	110.6
391	Q	23.8	Very low	26.6	Very low	181 Å²	181	138.8 Å²	138.8	85%	0.846	77%	0.773	S	S	*	*			trans	-130.2	109	170.7	-176.9	174.7	1.5	0	0	106.2
392	T	30.6	Very low	26.9	Very low	109 Å²	109	136 Å²	136	67%	0.669	77%	0.766	S	S	*	*			trans	-143.9	86.3	175.5	49.9	0	0	0	0	108.7
393	D	28	Very low	27.1	Very low	138 Å²	138	133 Å²	133	74%	0.738	75%	0.75	S	S	*	*			trans	45.5	116.8	137.6	-50.3	-18.9	0	0	0	120.8
394	E	26	Very low	27.3	Very low	178 Å²	178	133.6 Å²	133.6	83%	0.832	74%	0.737	S	S	*	*			trans	51.3	110.5	130.4	-54.7	-155.4	139.2	0	0	121.2
395	S	23.8	Very low	27.3	Very low	106 Å²	106	136.1 Å²	136.1	74%	0.741	74%	0.737	S	S	*	*			trans	71.1	124.2	141.5	78.6	0	0	0	0	118.9
396	I	29.6	Very low	27.7	Very low	148 Å²	148	137.2 Å²	137.2	76%	0.759	73%	0.728	S	S	*	*				-175.1	130.6	107.6	-94.3	159	0	0	0	109.9
397	L	29.1	Very low	28	Very low	161 Å²	161	134 Å²	134	84%	0.843	72%	0.719	S	S	*	*			trans	52.3	122.1	164.5	-71.1	167.5	0	0	0	120.4
398	L	26.6	Very low	28.5	Very low	136 Å²	136	130.5 Å²	130.5	71%	0.712	71%	0.708	S	S	*	*			trans	-58.8	140.3	161.1	-69.2	69.3	0	0	0	110.9	T400	L398-T400 HydrophobicContact CB-CG2 4.4Å; L398-T400 HydrophobicContact CD2-CG2 4.14Å; L398-T400 HydrophobicContact CG-CG2 4.39Å
399	N	26.5	Very low	29.1	Very low	145 Å²	145	129.6 Å²	129.6	78%	0.775	69%	0.694	S	S	*	*			trans	-133.9	69.7	145.8	-104.8	-43.6	0	0	0	109	D401	N399-D401 PolarHBondContact O-N 3.08Å
400	T	28.3	Very low	30.3	Very low	101 Å²	101	129.7 Å²	129.7	62%	0.62	67%	0.674	S	S	*	*			trans	-69.5	90.3	177.6	46.8	0	0	0	0	110.7	L398	L398-T400 HydrophobicContact CB-CG2 4.4Å; L398-T400 HydrophobicContact CD2-CG2 4.14Å; L398-T400 HydrophobicContact CG-CG2 4.39Å
401	D	31.1	Very low	31.6	Very low	106 Å²	106	133.7 Å²	133.7	57%	0.567	68%	0.678	S	S	*	*	S	Bend	trans	-174.7	-26.4	132.2	-93.3	-22.9	0	0	0	113.4	N399 D403 K404	N399-D401 PolarHBondContact O-N 3.08Å; D401-D403 VanDerWaalsContact C-N 3.31Å; D401-D403 PolarHBondContact O-N 3.38Å; D401-K404 PolarHBondContact O-N 3.44Å; D401-K404 IonicContact OD1-NZ 2.82Å; D401-K404 PolarHBondContact OD1-NZ 3.29Å
402	T	32.8	Very low	33.5	Very low	93 Å²	93	127.9 Å²	127.9	57%	0.571	65%	0.652	S	S	*	*	H	α-helix	trans	-62.6	-32.4	-178.2	44	0	0	0	0	114.1	Q405	T402-Q405 PolarHBondContact O-N 2.91Å
403	D	28.4	Very low	35.1	Very low	79 Å²	79	123.4 Å²	123.4	42%	0.422	63%	0.625	S	S	.	*	H	α-helix	trans	-80.5	-19.6	-176.4	-68.2	-37.8	0	0	0	113.8	D401 Q405 K406 I407	D401-D403 VanDerWaalsContact C-N 3.31Å; D401-D403 PolarHBondContact O-N 3.38Å; D403-Q405 PolarHBondContact O-N 3.23Å; D403-K406 PolarHBondContact O-N 2.98Å; D403-K406 VanDerWaalsContact O-N 3.1Å; D403-K406 WeakPolarHBondContact OD1-CD 3.36Å; D403-K406 WeakPolarHBondContact OD1-CE 3.26Å; D403-K406 IonicContact OD1-NZ 3.2Å; D403-K406 PolarHBondContact OD1-NZ 2.88Å; D403-I407 WeakPolarHBondContact O-CD1 3.46Å; D403-I407 VanDerWaalsContact O-CG1 3.3Å; D403-I407 WeakPolarHBondContact O-CG1 3.21Å; D403-I407 PolarHBondContact O-N 3.18Å
404	K	31.7	Very low	36.8	Very low	135 Å²	135	122.7 Å²	122.7	59%	0.587	63%	0.627	S	S	*	*	H	α-helix	trans	-60.4	-34.8	169.8	-69.9	176.6	-172	152.9	0	111.4	D401	D401-K404 PolarHBondContact O-N 3.44Å; D401-K404 IonicContact OD1-NZ 2.82Å; D401-K404 PolarHBondContact OD1-NZ 3.29Å
405	Q	28.9	Very low	38.6	Very low	163 Å²	163	116.3 Å²	116.3	76%	0.762	60%	0.601	S	S	*	*	H	α-helix	trans	-74.4	-32	174.6	-68.7	-172.3	-8	0	0	112.8	T402 D403	T402-Q405 PolarHBondContact O-N 2.91Å; D403-Q405 PolarHBondContact O-N 3.23Å
406	K	31	Very low	40.7	Very low	130 Å²	130	112.6 Å²	112.6	57%	0.565	57%	0.572	S	S	*	*	H	α-helix	trans	-68.6	-35.1	174.5	-70	-172.8	-163.6	140.1	0	112.8	D403 I408 N409	D403-K406 PolarHBondContact O-N 2.98Å; D403-K406 VanDerWaalsContact O-N 3.1Å; D403-K406 WeakPolarHBondContact OD1-CD 3.36Å; D403-K406 WeakPolarHBondContact OD1-CE 3.26Å; D403-K406 IonicContact OD1-NZ 3.2Å; D403-K406 PolarHBondContact OD1-NZ 2.88Å; K406-I408 PolarHBondContact O-N 3.39Å; K406-N409 WeakPolarHBondContact O-CB 3.38Å; K406-N409 PolarHBondContact O-N 2.89Å; K406-N409 VanDerWaalsContact O-N 3.12Å
407	I	31.7	Very low	42.4	Very low	136 Å²	136	111.9 Å²	111.9	70%	0.697	58%	0.575	S	S	*	*	H	α-helix	trans	-66.7	-22.2	-178.2	-69.4	163.1	0	0	0	112.3	D403 N409	D403-I407 WeakPolarHBondContact O-CD1 3.46Å; D403-I407 VanDerWaalsContact O-CG1 3.3Å; D403-I407 WeakPolarHBondContact O-CG1 3.21Å; D403-I407 PolarHBondContact O-N 3.18Å; I407-N409 VanDerWaalsContact C-N 3.27Å; I407-N409 PolarHBondContact O-N 3.43Å
408	I	35.4	Very low	44.5	Very low	137 Å²	137	106.2 Å²	106.2	70%	0.703	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-7.6	176.4	-61.9	175.2	0	0	0	112.5	K406 K410	K406-I408 PolarHBondContact O-N 3.39Å; I408-K410 PolarHBondContact O-N 2.9Å
409	N	37.1	Very low	46.9	Very low	109 Å²	109	102.6 Å²	102.6	58%	0.583	52%	0.524	S	S	*	.			trans	-71.1	70.1	162.9	-69.8	-48.2	0	0	0	110.5	K406 I407 R411	K406-N409 WeakPolarHBondContact O-CB 3.38Å; K406-N409 PolarHBondContact O-N 2.89Å; K406-N409 VanDerWaalsContact O-N 3.12Å; I407-N409 VanDerWaalsContact C-N 3.27Å; I407-N409 PolarHBondContact O-N 3.43Å; N409-R411 PolarHBondContact O-N 3.35Å
410	K	49.7	Very low	49.2	Very low	75 Å²	75	98 Å²	98	33%	0.326	50%	0.496	S	S	.	.			trans	-53.4	111	168	-76.9	-168	173.2	-175	0	107.8	I408 L412 E563 I565	I408-K410 PolarHBondContact O-N 2.9Å; K410-L412 PolarHBondContact O-N 3.17Å; K410-L412 VanDerWaalsContact O-N 3.09Å; K410-E563 IonicContact NZ-OE1 3.6Å; K410-E563 PolarHBondContact NZ-OE1 2.76Å; K410-E563 IonicContact NZ-OE2 3.61Å; K410-E563 PolarHBondContact NZ-OE2 3.07Å; K410-I565 HydrophobicContact CB-CD1 4.13Å; K410-I565 HydrophobicContact CD-CD1 3.71Å
411	R	53.5	Low	51.6	Low	242 Å²	242	97.1 Å²	97.1	91%	0.913	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-52.4	121	174	-84.9	-178.7	168.4	170.1	-3.4	107.5	N409	N409-R411 PolarHBondContact O-N 3.35Å
412	L	62.8	Low	53.9	Low	59 Å²	59	98.2 Å²	98.2	31%	0.309	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-50.4	138.8	168.6	-76.2	172.5	0	0	0	108.7	K410 A429 Y450 T451 I565 W567	K410-L412 PolarHBondContact O-N 3.17Å; K410-L412 VanDerWaalsContact O-N 3.09Å; L412-A429 HydrophobicContact CD1-CB 4.24Å; L412-A429 HydrophobicContact CD2-CB 3.86Å; L412-Y450 HydrophobicContact CD2-CD1 4.46Å; L412-Y450 HydrophobicContact CD2-CD2 3.68Å; L412-Y450 HydrophobicContact CD2-CE2 4.25Å; L412-Y450 HydrophobicContact CD2-CG 3.8Å; L412-T451 HydrophobicContact CD1-CG2 3.67Å; L412-I565 HydrophobicContact CD2-CG2 4.02Å; L412-W567 HydrophobicContact CD1-CZ2 4.41Å
413	P	64	Low	56.3	Low	15 Å²	15	97.3 Å²	97.3	10%	0.097	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-55.6	146.3	175.3	23	-32	0	0	0	109.5	V415 W567	P413-V415 PolarHBondContact O-N 2.91Å; P413-W567 PolarHBondContact O-NE1 2.83Å
414	P	64.1	Low	59	Low	122 Å²	122	94 Å²	94	79%	0.792	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-53	138.2	-178.2	22.5	-33.4	0	0	0	110.2	I416	P414-I416 PolarHBondContact O-N 2.99Å; P414-I416 VanDerWaalsContact O-N 3.15Å
415	V	64.5	Low	61.6	Low	44 Å²	44	87.7 Å²	87.7	27%	0.267	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-59.9	120.3	-172.6	-170.9	0	0	0	0	109.4	P413 T417 I427 K453 W567 N770	P413-V415 PolarHBondContact O-N 2.91Å; V415-T417 PolarHBondContact O-N 3.27Å; V415-I427 HydrophobicContact CG1-CD1 3.52Å; V415-K453 HydrophobicContact CG1-CD 3.97Å; V415-K453 HydrophobicContact CG2-CD 4.11Å; V415-W567 HydrophobicContact CG1-CZ2 4.48Å; V415-W567 HydrophobicContact CG2-CH2 4.42Å; V415-W567 HydrophobicContact CG2-CZ2 3.8Å; V415-N770 WeakPolarHBondContact CG1-ND2 3.34Å
416	I	67.1	Low	64.4	Low	28 Å²	28	80 Å²	80	14%	0.144	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-59.9	133.2	-179.6	-33.2	172.6	0	0	0	109.3	L347 Y349 P414 Y418 W567	L347-I416 HydrophobicContact CB-CD1 4.42Å; L347-I416 WeakPolarHBondContact O-CD1 3.28Å; Y349-I416 HydrophobicContact CD2-CG2 4.4Å; Y349-I416 HydrophobicContact CE2-CG2 4.46Å; P414-I416 PolarHBondContact O-N 2.99Å; P414-I416 VanDerWaalsContact O-N 3.15Å; I416-Y418 PolarHBondContact O-N 3.19Å; I416-W567 HydrophobicContact CD1-CB 3.8Å; I416-W567 HydrophobicContact CG1-CB 3.99Å; I416-W567 HydrophobicContact CG1-CG 4.38Å
417	T	66.8	Low	67.1	Low	134 Å²	134	73.9 Å²	73.9	82%	0.822	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-70.9	116.4	161.5	47.3	0	0	0	0	108.9	V415	V415-T417 PolarHBondContact O-N 3.27Å
418	Y	72.2	Confident	69.9	Low	41 Å²	41	67.4 Å²	67.4	16%	0.161	33%	0.334	C	S	.	.			trans	-127.1	154.6	178.8	71.6	-83.3	0	0	0	110.8	I416 W420 F423 I427 N454 L569	I416-Y418 PolarHBondContact O-N 3.19Å; Y418-W420 HydrophobicContact CE2-CB 3.94Å; Y418-W420 PolarHBondContact O-N 3.01Å; Y418-W420 VanDerWaalsContact O-N 3.13Å; Y418-F423 HydrophobicContact CD2-CB 4.09Å; Y418-F423 HydrophobicContact CE2-CB 4.36Å; Y418-F423 WeakPolarHBondContact CE2-O 3.08Å; Y418-I427 HydrophobicContact CD1-CD1 4.14Å; Y418-I427 HydrophobicContact CD1-CG2 3.88Å; Y418-I427 HydrophobicContact CE1-CD1 3.84Å; Y418-I427 HydrophobicContact CE1-CG1 4.04Å; Y418-I427 HydrophobicContact CE1-CG2 3.89Å; Y418-I427 HydrophobicContact CG-CG2 4.3Å; Y418-N454 VanDerWaalsContact OH-CB 3.28Å; Y418-N454 WeakPolarHBondContact OH-CB 3.24Å; Y418-N454 PolarHBondContact OH-ND2 2.76Å; Y418-L569 HydrophobicContact CD2-CD2 4.04Å; Y418-L569 HydrophobicContact CG-CD2 4.1Å
419	D	76.5	Confident	72.4	Confident	61 Å²	61	60.9 Å²	60.9	33%	0.326	30%	0.301	S	S	.	.			trans	-77.1	97.6	176.1	-175.2	-13.2	0	0	0	110.1	M421 K422 F423	D419-M421 PolarHBondContact O-N 3.07Å; D419-M421 WeakPolarHBondContact OD1-CB 3.47Å; D419-M421 PolarHBondContact OD1-N 3.05Å; D419-K422 HydrophobicContact CB-CB 4.24Å; D419-K422 HydrophobicContact CB-CD 4.19Å; D419-K422 HydrophobicContact CB-CG 4.3Å; D419-K422 PolarHBondContact O-N 2.89Å; D419-K422 VanDerWaalsContact O-N 3.07Å; D419-K422 PolarHBondContact OD1-N 3.29Å; D419-K422 VanDerWaalsContact OD2-CD 3.24Å; D419-K422 WeakPolarHBondContact OD2-CD 3.42Å; D419-K422 VanDerWaalsContact OD2-CE 3.25Å; D419-K422 WeakPolarHBondContact OD2-CE 3.46Å; D419-K422 WeakPolarHBondContact OD2-CG 3.41Å; D419-K422 IonicContact OD2-NZ 2.68Å; D419-K422 PolarHBondContact OD2-NZ 3.31Å; D419-F423 PolarHBondContact O-N 2.85Å
420	W	75.6	Confident	74.9	Confident	47 Å²	47	55.7 Å²	55.7	18%	0.178	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-21	-179.8	76.9	-84.4	0	0	0	113.7	Y418 K422 F423 P424 R578 Y611 P772	Y418-W420 HydrophobicContact CE2-CB 3.94Å; Y418-W420 PolarHBondContact O-N 3.01Å; Y418-W420 VanDerWaalsContact O-N 3.13Å; W420-K422 VanDerWaalsContact C-N 3.29Å; W420-F423 CarbonylContact O-C 3.56Å; W420-P424 VanDerWaalsContact O-CA 3.24Å; W420-P424 WeakPolarHBondContact O-CA 3.22Å; W420-R578 HydrophobicContact CZ3-CG 4.38Å; W420-Y611 HydrophobicContact CH2-CD2 4.39Å; W420-Y611 AromaticContact CH2-CE2 3.99Å; W420-Y611 HydrophobicContact CH2-CE2 3.99Å; W420-Y611 HydrophobicContact CZ3-CD2 4.22Å; W420-Y611 HydrophobicContact CZ3-CE2 4.27Å; W420-P772 HydrophobicContact CD2-CG 4.47Å; W420-P772 HydrophobicContact CZ2-CG 3.87Å
421	M	78.6	Confident	76.7	Confident	83 Å²	83	52.1 Å²	52.1	41%	0.409	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-25.8	174.7	-65	-172.5	176.8	0	0	111.4	D419 Y611 G612	D419-M421 PolarHBondContact O-N 3.07Å; D419-M421 WeakPolarHBondContact OD1-CB 3.47Å; D419-M421 PolarHBondContact OD1-N 3.05Å; M421-Y611 HydrophobicContact CB-CD1 3.7Å; M421-Y611 HydrophobicContact CB-CE1 3.91Å; M421-Y611 HydrophobicContact CE-CE1 4.27Å; M421-Y611 HydrophobicContact CG-CD1 3.91Å; M421-Y611 HydrophobicContact CG-CE1 3.65Å; M421-Y611 HydrophobicContact SD-CD1 4.39Å; M421-Y611 HydrophobicContact SD-CE1 3.63Å; M421-G612 PolarHBondContact O-N 3.22Å
422	K	80.4	Confident	78.3	Confident	130 Å²	130	40.6 Å²	40.6	57%	0.565	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-33.9	172.7	-67.2	179.8	-177.1	121.2	0	112.9	D419 W420 P424	D419-K422 HydrophobicContact CB-CB 4.24Å; D419-K422 HydrophobicContact CB-CD 4.19Å; D419-K422 HydrophobicContact CB-CG 4.3Å; D419-K422 PolarHBondContact O-N 2.89Å; D419-K422 VanDerWaalsContact O-N 3.07Å; D419-K422 PolarHBondContact OD1-N 3.29Å; D419-K422 VanDerWaalsContact OD2-CD 3.24Å; D419-K422 WeakPolarHBondContact OD2-CD 3.42Å; D419-K422 VanDerWaalsContact OD2-CE 3.25Å; D419-K422 WeakPolarHBondContact OD2-CE 3.46Å; D419-K422 WeakPolarHBondContact OD2-CG 3.41Å; D419-K422 IonicContact OD2-NZ 2.68Å; D419-K422 PolarHBondContact OD2-NZ 3.31Å; W420-K422 VanDerWaalsContact C-N 3.29Å; K422-P424 VanDerWaalsContact C-CD 3.45Å; K422-P424 WeakPolarHBondContact O-CD 3.48Å
423	F	82.2	Confident	79.4	Confident	73 Å²	73	39.5 Å²	39.5	32%	0.32	21%	0.207	S	C	.	.			trans	-124.5	68	-178.6	-56.8	-77.1	0	0	0	112.1	Y418 D419 W420 A425 G426 L569	Y418-F423 HydrophobicContact CD2-CB 4.09Å; Y418-F423 HydrophobicContact CE2-CB 4.36Å; Y418-F423 WeakPolarHBondContact CE2-O 3.08Å; D419-F423 PolarHBondContact O-N 2.85Å; W420-F423 CarbonylContact O-C 3.56Å; F423-A425 VanDerWaalsContact C-N 3.3Å; F423-A425 PolarHBondContact O-N 2.95Å; F423-G426 PolarHBondContact O-N 3.49Å; F423-L569 HydrophobicContact CB-CD2 3.93Å; F423-L569 HydrophobicContact CD1-CB 4.39Å; F423-L569 HydrophobicContact CD1-CD1 4.17Å; F423-L569 HydrophobicContact CD1-CD2 4.36Å; F423-L569 HydrophobicContact CD2-CD1 4.2Å; F423-L569 HydrophobicContact CD2-CD2 4.05Å; F423-L569 HydrophobicContact CE1-CD1 4.05Å; F423-L569 HydrophobicContact CE2-CD1 4.08Å; F423-L569 HydrophobicContact CG-CD1 4.24Å; F423-L569 HydrophobicContact CG-CD2 3.85Å; F423-L569 HydrophobicContact CG-CG 4.49Å; F423-L569 HydrophobicContact CZ-CD1 4Å
424	P	84.6	Confident	80.4	Confident	11 Å²	11	39.3 Å²	39.3	7%	0.071	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-16	-170.1	29	-37.6	0	0	0	115.2	W420 K422 G426 E572 A576	W420-P424 VanDerWaalsContact O-CA 3.24Å; W420-P424 WeakPolarHBondContact O-CA 3.22Å; K422-P424 VanDerWaalsContact C-CD 3.45Å; K422-P424 WeakPolarHBondContact O-CD 3.48Å; P424-G426 VanDerWaalsContact C-N 3.29Å; P424-G426 PolarHBondContact O-N 3.07Å; P424-E572 WeakPolarHBondContact CD-OE2 3.46Å; P424-E572 HydrophobicContact CG-CB 4.49Å; P424-E572 HydrophobicContact CG-CG 4.13Å; P424-A576 HydrophobicContact CB-CB 3.48Å; P424-A576 VanDerWaalsContact CB-CB 3.48Å; P424-A576 HydrophobicContact CG-CB 3.45Å; P424-A576 VanDerWaalsContact CG-CB 3.45Å
425	A	87.2	Confident	81.2	Confident	2 Å²	2	37.7 Å²	37.7	2%	0.017	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-8.3	175.3	0	0	0	0	0	114.5	F423 N454 L455 H545 V570 E572	F423-A425 VanDerWaalsContact C-N 3.3Å; F423-A425 PolarHBondContact O-N 2.95Å; A425-N454 CarbonylContact C-O 3.58Å; A425-L455 WeakPolarHBondContact O-CD2 3.46Å; A425-H545 PolarHBondContact O-NE2 2.84Å; A425-V570 HydrophobicContact CB-CB 4.06Å; A425-V570 HydrophobicContact CB-CG1 3.84Å; A425-E572 HydrophobicContact CB-CB 3.63Å
426	G	87.4	Confident	81.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.187	C	C	.	.			trans	91	-155.7	172.9	0	0	0	0	0	115	F423 P424 N454 V570	F423-G426 PolarHBondContact O-N 3.49Å; P424-G426 VanDerWaalsContact C-N 3.29Å; P424-G426 PolarHBondContact O-N 3.07Å; G426-N454 WeakPolarHBondContact CA-O 3.36Å; G426-V570 PolarHBondContact O-N 2.76Å
427	I	88.8	Confident	81.7	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	152.2	-172.4	54.2	175.3	0	0	0	111.8	V415 Y418 G452 K453 W567 C568 L569	V415-I427 HydrophobicContact CG1-CD1 3.52Å; Y418-I427 HydrophobicContact CD1-CD1 4.14Å; Y418-I427 HydrophobicContact CD1-CG2 3.88Å; Y418-I427 HydrophobicContact CE1-CD1 3.84Å; Y418-I427 HydrophobicContact CE1-CG1 4.04Å; Y418-I427 HydrophobicContact CE1-CG2 3.89Å; Y418-I427 HydrophobicContact CG-CG2 4.3Å; I427-G452 WeakPolarHBondContact O-CA 3.2Å; I427-K453 HydrophobicContact CD1-CB 4.31Å; I427-K453 HydrophobicContact CG1-CB 3.94Å; I427-K453 PolarHBondContact N-O 3.28Å; I427-K453 PolarHBondContact O-N 3.45Å; I427-W567 HydrophobicContact CB-CE3 4.08Å; I427-W567 HydrophobicContact CD1-CD2 4.09Å; I427-W567 HydrophobicContact CD1-CE3 3.63Å; I427-W567 HydrophobicContact CD1-CZ3 4.05Å; I427-W567 HydrophobicContact CG1-CE3 3.78Å; I427-W567 HydrophobicContact CG1-CZ3 4.09Å; I427-C568 VanDerWaalsContact CA-O 3.29Å; I427-C568 WeakPolarHBondContact CA-O 3.25Å; I427-L569 HydrophobicContact CG2-CD2 3.79Å
428	M	89.7	Confident	81.3	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	133.7	176	-166.8	164.2	60.1	0	0	111.3	I430 V468 F495 L528 I530 W567 C568 V570	M428-I430 HydrophobicContact CE-CD1 4.23Å; M428-I430 HydrophobicContact CE-CG1 4.42Å; M428-I430 HydrophobicContact CG-CG1 4.44Å; M428-V468 HydrophobicContact CE-CG1 4.43Å; M428-V468 HydrophobicContact SD-CG2 4.37Å; M428-F495 HydrophobicContact SD-CE2 4.28Å; M428-L528 HydrophobicContact CE-CB 4.09Å; M428-L528 HydrophobicContact CE-CD1 3.34Å; M428-L528 HydrophobicContact CE-CG 4.35Å; M428-I530 HydrophobicContact CE-CD1 3.71Å; M428-I530 HydrophobicContact CE-CG1 4.12Å; M428-I530 HydrophobicContact SD-CD1 3.91Å; M428-I530 HydrophobicContact SD-CG1 4.44Å; M428-W567 WeakPolarHBondContact O-CA 3.22Å; M428-C568 PolarHBondContact N-O 3Å; M428-C568 PolarHBondContact O-N 3.09Å; M428-V570 HydrophobicContact CB-CG2 4.39Å
429	A	88.3	Confident	80.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	123	178.4	0	0	0	0	0	110.8	L412 Y450 T451 G566 W567	L412-A429 HydrophobicContact CD1-CB 4.24Å; L412-A429 HydrophobicContact CD2-CB 3.86Å; A429-Y450 PolarHBondContact O-N 3.19Å; A429-T451 HydrophobicContact CB-CG2 3.86Å; A429-T451 PolarHBondContact N-O 3.34Å; A429-G566 WeakPolarHBondContact CA-O 3.38Å; A429-W567 HydrophobicContact CB-CD2 3.9Å; A429-W567 HydrophobicContact CB-CE3 3.74Å; A429-W567 HydrophobicContact CB-CH2 3.92Å; A429-W567 HydrophobicContact CB-CZ2 4.05Å; A429-W567 HydrophobicContact CB-CZ3 3.76Å
430	I	89.2	Confident	79.9	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	135.1	-171.5	-57.4	154.2	0	0	0	108.7	M428 V432 V447 L449 L528 M550 G566 C568	M428-I430 HydrophobicContact CE-CD1 4.23Å; M428-I430 HydrophobicContact CE-CG1 4.42Å; M428-I430 HydrophobicContact CG-CG1 4.44Å; I430-V432 HydrophobicContact CG2-CG2 4.15Å; I430-V447 HydrophobicContact CG2-CG1 4.16Å; I430-L449 HydrophobicContact CG1-CD2 4.01Å; I430-L449 HydrophobicContact CG2-CD2 4.29Å; I430-L528 HydrophobicContact CD1-CD1 3.42Å; I430-L528 VanDerWaalsContact CD1-CD1 3.42Å; I430-L528 HydrophobicContact CG1-CD1 3.88Å; I430-M550 HydrophobicContact CB-CE 4.21Å; I430-M550 HydrophobicContact CD1-CE 3.71Å; I430-M550 HydrophobicContact CG2-CE 3.89Å; I430-G566 PolarHBondContact N-O 3.43Å; I430-G566 PolarHBondContact O-N 3.27Å; I430-C568 HydrophobicContact CD1-CB 3.9Å
431	G	86.9	Confident	79.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	141.9	165.7	0	0	0	0	0	110.5	V447 T448 H564	G431-V447 CarbonylContact O-C 3.58Å; G431-V447 WeakPolarHBondContact O-CA 3.14Å; G431-T448 PolarHBondContact N-O 3.04Å; G431-T448 PolarHBondContact O-N 2.94Å; G431-H564 CarbonylContact C-O 3.59Å; G431-H564 WeakPolarHBondContact CA-O 3.29Å
432	V	87.4	Confident	79	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	124.5	171.9	-176.1	0	0	0	0	108.2	I430 I445 L446 I526 M550 F562 E563 H564	I430-V432 HydrophobicContact CG2-CG2 4.15Å; V432-I445 HydrophobicContact CG1-CD1 3.77Å; V432-I445 HydrophobicContact CG1-CG1 4.03Å; V432-L446 CarbonylContact C-O 3.59Å; V432-L446 WeakPolarHBondContact CA-O 3.21Å; V432-I526 HydrophobicContact CB-CD1 4.37Å; V432-I526 HydrophobicContact CG1-CD1 3.77Å; V432-I526 HydrophobicContact CG2-CD1 3.58Å; V432-M550 HydrophobicContact CG2-SD 3.68Å; V432-F562 HydrophobicContact CG1-CE2 3.96Å; V432-F562 HydrophobicContact CG1-CZ 4.48Å; V432-E563 CarbonylContact O-C 3.48Å; V432-E563 WeakPolarHBondContact O-CA 3.39Å; V432-H564 PolarHBondContact N-O 3.11Å; V432-H564 PolarHBondContact O-N 2.84Å
433	K	86.8	Confident	79	Confident	36 Å²	36	40.5 Å²	40.5	16%	0.157	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	136.3	174.4	-33.5	-162.8	-172.6	-151.6	0	109.2	F435 I445 L446 F562 E563	K433-F435 HydrophobicContact CB-CD2 4.35Å; K433-F435 HydrophobicContact CB-CE2 3.62Å; K433-F435 HydrophobicContact CB-CZ 3.72Å; K433-F435 HydrophobicContact CD-CE2 4.24Å; K433-F435 HydrophobicContact CD-CZ 3.81Å; K433-F435 HydrophobicContact CG-CE2 4.46Å; K433-F435 HydrophobicContact CG-CZ 4.39Å; K433-I445 CarbonylContact O-C 3.51Å; K433-I445 WeakPolarHBondContact O-CA 3.48Å; K433-L446 HydrophobicContact CB-CB 4.18Å; K433-L446 HydrophobicContact CD-CD2 4.07Å; K433-L446 HydrophobicContact CG-CB 4.39Å; K433-L446 HydrophobicContact CG-CD2 4.24Å; K433-L446 PolarHBondContact N-O 3.02Å; K433-L446 PolarHBondContact O-N 3.25Å; K433-F562 WeakPolarHBondContact CA-O 3.42Å; K433-E563 HydrophobicContact CD-CG 4.11Å; K433-E563 VanDerWaalsContact CE-OE1 3.27Å; K433-E563 WeakPolarHBondContact CE-OE1 3.45Å; K433-E563 HydrophobicContact CG-CG 4.02Å; K433-E563 IonicContact NZ-OE1 3.29Å; K433-E563 PolarHBondContact NZ-OE1 3.19Å; K433-E563 IonicContact NZ-OE2 2.76Å
434	Y	84.4	Confident	79.1	Confident	10 Å²	10	40 Å²	40	4%	0.039	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	117	176.3	171.5	-104.1	0	0	0	109.2	P436 D443 L505 P522 I524 G561 F562	Y434-P436 HydrophobicContact CE1-CB 4.12Å; Y434-P436 HydrophobicContact CE1-CG 4.24Å; Y434-P436 WeakPolarHBondContact O-CD 3.46Å; Y434-D443 HydrophobicContact CE2-CB 3.66Å; Y434-D443 VanDerWaalsContact OH-CG 3.23Å; Y434-D443 PolarHBondContact OH-OD2 3.24Å; Y434-D443 VanDerWaalsContact OH-OD2 3.06Å; Y434-L505 HydrophobicContact CE2-CD1 4.31Å; Y434-P522 HydrophobicContact CE2-CG 4.2Å; Y434-P522 WeakPolarHBondContact OH-CD 3.37Å; Y434-I524 HydrophobicContact CD2-CD1 4.29Å; Y434-I524 HydrophobicContact CE2-CD1 4.43Å; Y434-G561 WeakPolarHBondContact O-CA 3.5Å; Y434-F562 AromaticContact CD1-CD1 3.93Å; Y434-F562 HydrophobicContact CD1-CD1 3.93Å; Y434-F562 AromaticContact CD1-CE1 3.81Å; Y434-F562 HydrophobicContact CD1-CE1 3.81Å; Y434-F562 HydrophobicContact CG-CD1 4.18Å; Y434-F562 AromaticContact CG-CE1 3.72Å; Y434-F562 HydrophobicContact CG-CE1 3.72Å; Y434-F562 HydrophobicContact CG-CZ 4.27Å; Y434-F562 PolarHBondContact N-O 2.95Å; Y434-F562 PolarHBondContact O-N 2.66Å
435	F	81.4	Confident	79.2	Confident	89 Å²	89	39.5 Å²	39.5	39%	0.39	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	101.8	-176.3	-59.2	-72.4	0	0	0	109.6	K433 H437 Q444 L446	K433-F435 HydrophobicContact CB-CD2 4.35Å; K433-F435 HydrophobicContact CB-CE2 3.62Å; K433-F435 HydrophobicContact CB-CZ 3.72Å; K433-F435 HydrophobicContact CD-CE2 4.24Å; K433-F435 HydrophobicContact CD-CZ 3.81Å; K433-F435 HydrophobicContact CG-CE2 4.46Å; K433-F435 HydrophobicContact CG-CZ 4.39Å; F435-H437 PolarHBondContact O-N 3.38Å; F435-Q444 PolarHBondContact N-O 3.31Å; F435-Q444 PolarHBondContact O-N 3.49Å; F435-L446 HydrophobicContact CE2-CB 4.27Å; F435-L446 HydrophobicContact CE2-CD2 4.38Å
436	P	73.7	Confident	79.3	Confident	47 Å²	47	40.5 Å²	40.5	31%	0.305	22%	0.222	S	C	.	.			trans	-76.8	107	173.9	29.1	-32.3	0	0	0	110.5	Y434 V438 D443	Y434-P436 HydrophobicContact CE1-CB 4.12Å; Y434-P436 HydrophobicContact CE1-CG 4.24Å; Y434-P436 WeakPolarHBondContact O-CD 3.46Å; P436-V438 PolarHBondContact O-N 3.38Å; P436-D443 WeakPolarHBondContact CA-OD1 3.49Å
437	H	67.7	Low	79.4	Confident	99 Å²	99	40.5 Å²	40.5	46%	0.458	22%	0.222	S	C	.	.			trans	-95	85.8	-175.6	-107.1	-65.4	0	0	0	110.9	F435 S439 S440 Q442	F435-H437 PolarHBondContact O-N 3.38Å; H437-S439 PolarHBondContact O-N 2.92Å; H437-S440 WeakPolarHBondContact CB-OG 3.33Å; H437-S440 PolarHBondContact O-N 2.75Å; H437-S440 VanDerWaalsContact O-N 3.09Å; H437-S440 PolarHBondContact O-OG 2.87Å; H437-Q442 VanDerWaalsContact CB-O 3.31Å; H437-Q442 WeakPolarHBondContact CB-O 3.36Å
438	V	58.1	Low	79.5	Confident	123 Å²	123	40.6 Å²	40.6	75%	0.745	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-32.4	-177.7	-173.7	0	0	0	0	113.1	P436	P436-V438 PolarHBondContact O-N 3.38Å
439	S	58.5	Low	79.5	Confident	112 Å²	112	40.7 Å²	40.7	78%	0.783	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-17.5	-177.4	52.2	0	0	0	0	115.8	H437	H437-S439 PolarHBondContact O-N 2.92Å
440	S	61.9	Low	79.4	Confident	62 Å²	62	43.5 Å²	43.5	43%	0.434	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-10.6	-173.4	70.7	0	0	0	0	114.6	H437 Q442	H437-S440 WeakPolarHBondContact CB-OG 3.33Å; H437-S440 PolarHBondContact O-N 2.75Å; H437-S440 VanDerWaalsContact O-N 3.09Å; H437-S440 PolarHBondContact O-OG 2.87Å; S440-Q442 PolarHBondContact O-N 3.45Å; S440-Q442 PolarHBondContact OG-N 3.19Å; S440-Q442 PolarHBondContact OG-O 2.92Å; S440-Q442 VanDerWaalsContact OG-O 3.05Å
441	N	65.3	Low	79.3	Confident	82 Å²	82	44.6 Å²	44.6	44%	0.439	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	22.2	-164.6	-67	-45.6	0	0	0	114.2	V507 R509	N441-V507 WeakPolarHBondContact O-CB 3.48Å; N441-V507 VanDerWaalsContact O-CG2 3.3Å; N441-V507 WeakPolarHBondContact O-CG2 3.37Å; N441-V507 PolarHBondContact O-N 3.31Å; N441-R509 PolarHBondContact OD1-NE 3.5Å; N441-R509 PolarHBondContact OD1-NH2 3.14Å
442	Q	70.1	Confident	79.2	Confident	95 Å²	95	44.6 Å²	44.6	44%	0.444	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	114.9	171.1	-63	-174	13.8	0	0	109.6	H437 S440 N504 L505	H437-Q442 VanDerWaalsContact CB-O 3.31Å; H437-Q442 WeakPolarHBondContact CB-O 3.36Å; S440-Q442 PolarHBondContact O-N 3.45Å; S440-Q442 PolarHBondContact OG-N 3.19Å; S440-Q442 PolarHBondContact OG-O 2.92Å; S440-Q442 VanDerWaalsContact OG-O 3.05Å; Q442-N504 PolarHBondContact OE1-ND2 3.24Å; Q442-L505 CarbonylContact C-O 3.59Å; Q442-L505 WeakPolarHBondContact CA-O 3.5Å
443	D	79.4	Confident	79	Confident	7 Å²	7	46.3 Å²	46.3	4%	0.037	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	155.7	167.1	-52.7	-47.7	0	0	0	108.9	Y434 P436 L505 V507	Y434-D443 HydrophobicContact CE2-CB 3.66Å; Y434-D443 VanDerWaalsContact OH-CG 3.23Å; Y434-D443 PolarHBondContact OH-OD2 3.24Å; Y434-D443 VanDerWaalsContact OH-OD2 3.06Å; P436-D443 WeakPolarHBondContact CA-OD1 3.49Å; D443-L505 HydrophobicContact CB-CB 4.3Å; D443-L505 PolarHBondContact N-O 3.06Å; D443-L505 PolarHBondContact O-N 2.89Å; D443-V507 WeakPolarHBondContact OD1-CG2 3.43Å; D443-V507 WeakPolarHBondContact OD2-CG2 3.23Å
444	Q	84.5	Confident	78.6	Confident	61 Å²	61	45.1 Å²	45.1	29%	0.285	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131	175	-170.8	172.2	71.6	0	0	110.7	F435 N504	F435-Q444 PolarHBondContact N-O 3.31Å; F435-Q444 PolarHBondContact O-N 3.49Å; Q444-N504 PolarHBondContact NE2-OD1 3.43Å
445	I	86.8	Confident	78.6	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	133.3	165.1	-170.7	171.3	0	0	0	110	V432 K433 V447 V472 S502 M503 L505 I524 I526	V432-I445 HydrophobicContact CG1-CD1 3.77Å; V432-I445 HydrophobicContact CG1-CG1 4.03Å; K433-I445 CarbonylContact O-C 3.51Å; K433-I445 WeakPolarHBondContact O-CA 3.48Å; I445-V447 HydrophobicContact CD1-CG2 4.47Å; I445-V447 HydrophobicContact CG1-CG2 4.35Å; I445-V472 HydrophobicContact CG2-CG1 3.93Å; I445-S502 WeakPolarHBondContact O-CA 3.3Å; I445-M503 HydrophobicContact CG2-CB 3.91Å; I445-M503 PolarHBondContact N-O 3.49Å; I445-M503 PolarHBondContact O-N 2.9Å; I445-L505 HydrophobicContact CB-CD1 4.18Å; I445-L505 HydrophobicContact CG2-CD1 3.92Å; I445-L505 HydrophobicContact CG2-CG 4.25Å; I445-I524 HydrophobicContact CD1-CB 4.5Å; I445-I524 HydrophobicContact CD1-CD1 4.14Å; I445-I524 HydrophobicContact CD1-CG2 3.87Å; I445-I526 HydrophobicContact CD1-CD1 4.01Å; I445-I526 HydrophobicContact CD1-CG1 4.47Å
446	L	88.8	Confident	78.2	Confident	23 Å²	23	41.8 Å²	41.8	12%	0.12	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.2	176.5	-168.7	75.1	0	0	0	108.6	V432 K433 F435 E500 I501	V432-L446 CarbonylContact C-O 3.59Å; V432-L446 WeakPolarHBondContact CA-O 3.21Å; K433-L446 HydrophobicContact CB-CB 4.18Å; K433-L446 HydrophobicContact CD-CD2 4.07Å; K433-L446 HydrophobicContact CG-CB 4.39Å; K433-L446 HydrophobicContact CG-CD2 4.24Å; K433-L446 PolarHBondContact N-O 3.02Å; K433-L446 PolarHBondContact O-N 3.25Å; F435-L446 HydrophobicContact CE2-CB 4.27Å; F435-L446 HydrophobicContact CE2-CD2 4.38Å; L446-E500 HydrophobicContact CD1-CB 3.89Å; L446-E500 HydrophobicContact CG-CB 4.28Å; L446-I501 CarbonylContact C-O 3.59Å; L446-I501 VanDerWaalsContact CA-O 3.32Å; L446-I501 WeakPolarHBondContact CA-O 3.28Å
447	V	90.2	Very high	78.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	115.5	176.9	-176.4	0	0	0	0	109.4	I430 G431 I445 V472 I501 I526	I430-V447 HydrophobicContact CG2-CG1 4.16Å; G431-V447 CarbonylContact O-C 3.58Å; G431-V447 WeakPolarHBondContact O-CA 3.14Å; I445-V447 HydrophobicContact CD1-CG2 4.47Å; I445-V447 HydrophobicContact CG1-CG2 4.35Å; V447-V472 HydrophobicContact CG2-CG2 4.11Å; V447-I501 HydrophobicContact CB-CB 4.33Å; V447-I501 PolarHBondContact N-O 3.04Å; V447-I501 PolarHBondContact O-N 2.78Å; V447-I526 HydrophobicContact CG1-CG2 4.43Å; V447-I526 HydrophobicContact CG2-CD1 3.77Å; V447-I526 HydrophobicContact CG2-CG1 4.32Å
448	T	89.7	Confident	78.5	Confident	4 Å²	4	35.3 Å²	35.3	3%	0.025	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	117.9	-176.6	-49.9	0	0	0	0	109.2	G431 Y450 E500	G431-T448 PolarHBondContact N-O 3.04Å; G431-T448 PolarHBondContact O-N 2.94Å; T448-Y450 HydrophobicContact CG2-CD1 4.01Å; T448-Y450 HydrophobicContact CG2-CE1 3.52Å; T448-Y450 HydrophobicContact CG2-CE2 4.11Å; T448-Y450 HydrophobicContact CG2-CG 4.47Å; T448-E500 HydrophobicContact CG2-CG 3.96Å; T448-E500 VanDerWaalsContact CG2-OE1 3.3Å; T448-E500 WeakPolarHBondContact CG2-OE1 3.33Å; T448-E500 PolarHBondContact OG1-OE1 3.15Å
449	L	90.1	Very high	79.4	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	123.3	171.6	-59.2	-175.7	0	0	0	109.3	I430 V468 V483 F495 L528	I430-L449 HydrophobicContact CG1-CD2 4.01Å; I430-L449 HydrophobicContact CG2-CD2 4.29Å; L449-V468 HydrophobicContact CD1-CB 3.87Å; L449-V468 HydrophobicContact CD1-CG1 3.68Å; L449-V468 HydrophobicContact CD1-CG2 4.39Å; L449-V483 HydrophobicContact CD1-CB 3.99Å; L449-V483 HydrophobicContact CD1-CG1 3.99Å; L449-V483 HydrophobicContact CD1-CG2 4.29Å; L449-F495 HydrophobicContact CB-CB 4.49Å; L449-F495 HydrophobicContact CB-CD2 4.08Å; L449-F495 HydrophobicContact CB-CG 4.14Å; L449-F495 VanDerWaalsContact O-CB 3.24Å; L449-F495 WeakPolarHBondContact O-CB 3.38Å; L449-L528 HydrophobicContact CD2-CD1 3.68Å; L449-L528 HydrophobicContact CD2-CD2 4.45Å
450	Y	86.7	Confident	80.3	Confident	60 Å²	60	26.4 Å²	26.4	24%	0.235	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-62.1	-176	-65.8	-72.5	0	0	0	112.8	L412 A429 T448 F495 I565	L412-Y450 HydrophobicContact CD2-CD1 4.46Å; L412-Y450 HydrophobicContact CD2-CD2 3.68Å; L412-Y450 HydrophobicContact CD2-CE2 4.25Å; L412-Y450 HydrophobicContact CD2-CG 3.8Å; A429-Y450 PolarHBondContact O-N 3.19Å; T448-Y450 HydrophobicContact CG2-CD1 4.01Å; T448-Y450 HydrophobicContact CG2-CE1 3.52Å; T448-Y450 HydrophobicContact CG2-CE2 4.11Å; T448-Y450 HydrophobicContact CG2-CG 4.47Å; Y450-F495 PolarHBondContact O-N 2.6Å; Y450-F495 VanDerWaalsContact O-N 3.08Å; Y450-I565 HydrophobicContact CD2-CG2 4.46Å; Y450-I565 HydrophobicContact CE2-CD1 4.49Å; Y450-I565 HydrophobicContact CE2-CG1 4.42Å; Y450-I565 HydrophobicContact CE2-CG2 3.89Å
451	T	87.1	Confident	81.2	Confident	24 Å²	24	24.5 Å²	24.5	15%	0.147	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	154.7	-173	-174.6	0	0	0	0	112.4	L412 A429 P493 W567	L412-T451 HydrophobicContact CD1-CG2 3.67Å; A429-T451 HydrophobicContact CB-CG2 3.86Å; A429-T451 PolarHBondContact N-O 3.34Å; T451-P493 CarbonylContact C-O 3.51Å; T451-P493 WeakPolarHBondContact CA-O 3.04Å; T451-P493 PolarHBondContact OG1-O 2.93Å; T451-P493 VanDerWaalsContact OG1-O 3.13Å; T451-W567 HydrophobicContact CG2-CH2 3.62Å; T451-W567 HydrophobicContact CG2-CZ2 4.38Å; T451-W567 HydrophobicContact CG2-CZ3 4.17Å
452	G	85.3	Confident	82	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	155.5	166.9	0	0	0	0	0	112.3	I427 C492 P493	I427-G452 WeakPolarHBondContact O-CA 3.2Å; G452-C492 WeakPolarHBondContact O-CA 3.2Å; G452-P493 PolarHBondContact N-O 3.49Å
453	K	82.6	Confident	82.6	Confident	36 Å²	36	24.2 Å²	24.2	16%	0.157	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	141.8	165.2	-81.1	-170.5	171.6	-127.1	0	110.3	V415 I427 L455 W567 D768	V415-K453 HydrophobicContact CG1-CD 3.97Å; V415-K453 HydrophobicContact CG2-CD 4.11Å; I427-K453 HydrophobicContact CD1-CB 4.31Å; I427-K453 HydrophobicContact CG1-CB 3.94Å; I427-K453 PolarHBondContact N-O 3.28Å; I427-K453 PolarHBondContact O-N 3.45Å; K453-L455 PolarHBondContact O-N 3.46Å; K453-W567 HydrophobicContact CB-CZ3 4.31Å; K453-W567 HydrophobicContact CD-CH2 4.13Å; K453-W567 HydrophobicContact CG-CH2 4.13Å; K453-W567 HydrophobicContact CG-CZ3 4.25Å; K453-D768 PolarHBondContact NZ-O 3.27Å
454	N	79.2	Confident	82.9	Confident	11 Å²	11	24 Å²	24	6%	0.059	11%	0.11	C	C	.	.			trans	54.1	34	-179	-71.7	-28.9	0	0	0	114.6	Y418 A425 G426 L456 G491 F769	Y418-N454 VanDerWaalsContact OH-CB 3.28Å; Y418-N454 WeakPolarHBondContact OH-CB 3.24Å; Y418-N454 PolarHBondContact OH-ND2 2.76Å; A425-N454 CarbonylContact C-O 3.58Å; G426-N454 WeakPolarHBondContact CA-O 3.36Å; N454-L456 PolarHBondContact O-N 3.16Å; N454-G491 PolarHBondContact N-O 2.96Å; N454-F769 VanDerWaalsContact CG-O 3.24Å; N454-F769 PolarHBondContact ND2-O 3.09Å; N454-F769 PolarHBondContact OD1-O 3.42Å
455	L	83.3	Confident	83.1	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.105	C	C	.	.			trans	-75.3	75.1	167.4	-51.2	-168.8	0	0	0	108.5	A425 K453 S457 F466 G491 P493 I530 H545 V570	A425-L455 WeakPolarHBondContact O-CD2 3.46Å; K453-L455 PolarHBondContact O-N 3.46Å; L455-S457 PolarHBondContact O-N 3.03Å; L455-F466 HydrophobicContact CB-CE1 3.7Å; L455-F466 HydrophobicContact CB-CZ 3.92Å; L455-F466 HydrophobicContact CD1-CD1 3.97Å; L455-F466 HydrophobicContact CD1-CE1 3.95Å; L455-G491 PolarHBondContact N-O 3.05Å; L455-G491 WeakPolarHBondContact O-CA 3.49Å; L455-P493 HydrophobicContact CD1-CG 3.72Å; L455-I530 HydrophobicContact CD1-CG2 4.31Å; L455-H545 VanDerWaalsContact C-CE1 3.47Å; L455-H545 WeakPolarHBondContact CA-NE2 3Å; L455-V570 HydrophobicContact CD2-CG2 4.02Å
456	L	72.9	Confident	83.3	Confident	29 Å²	29	22.8 Å²	22.8	15%	0.152	11%	0.105	C	C	.	.			trans	-61.2	91.6	-167.6	-74.3	174.2	0	0	0	113	N454 H545	N454-L456 PolarHBondContact O-N 3.16Å; L456-H545 PolarHBondContact N-CE1 3.31Å
457	S	73.3	Confident	83.3	Confident	2 Å²	2	21.8 Å²	21.8	1%	0.014	10%	0.1	C	C	.	.			trans	-49.7	137.4	174	-176.8	0	0	0	0	112.5	L455 R459 L460 E532 I751	L455-S457 PolarHBondContact O-N 3.03Å; S457-R459 PolarHBondContact O-N 2.95Å; S457-R459 VanDerWaalsContact O-N 3.12Å; S457-R459 WeakPolarHBondContact OG-CA 3.25Å; S457-R459 PolarHBondContact OG-N 3.2Å; S457-L460 WeakPolarHBondContact O-CG 3.24Å; S457-E532 WeakPolarHBondContact CA-OE2 3.44Å; S457-E532 WeakPolarHBondContact CB-OE1 3.48Å; S457-E532 WeakPolarHBondContact CB-OE2 3.4Å; S457-E532 PolarHBondContact OG-OE1 3.05Å; S457-E532 PolarHBondContact OG-OE2 2.74Å; S457-I751 WeakPolarHBondContact O-CD1 3.38Å
458	P	75.2	Confident	83.5	Confident	7 Å²	7	21.8 Å²	21.8	5%	0.045	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	6.7	165.5	30.9	-29.5	0	0	0	112.7	E532 Y543 K720 N749	P458-E532 VanDerWaalsContact CD-OE2 3.23Å; P458-E532 WeakPolarHBondContact CD-OE2 3.13Å; P458-Y543 HydrophobicContact CG-CD1 3.62Å; P458-Y543 HydrophobicContact CG-CD2 4.01Å; P458-Y543 HydrophobicContact CG-CE1 3.78Å; P458-Y543 HydrophobicContact CG-CE2 4.15Å; P458-Y543 HydrophobicContact CG-CG 3.73Å; P458-K720 PolarHBondContact O-NZ 2.9Å; P458-N749 HydrophobicContact CB-CB 4.08Å
459	R	76.6	Confident	83.6	Confident	47 Å²	47	25 Å²	25	18%	0.177	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.7	27.3	-171.3	-41.1	-170.3	-172	-141	10.9	113.6	S457 W461 H462 D540 K541	S457-R459 PolarHBondContact O-N 2.95Å; S457-R459 VanDerWaalsContact O-N 3.12Å; S457-R459 WeakPolarHBondContact OG-CA 3.25Å; S457-R459 PolarHBondContact OG-N 3.2Å; R459-W461 PolarHBondContact O-N 3.48Å; R459-H462 PolarHBondContact O-N 2.82Å; R459-D540 IonicContact CZ-OD1 2.85Å; R459-D540 IonicContact CZ-OD2 3.36Å; R459-D540 IonicContact NH1-OD1 2.76Å; R459-D540 PolarHBondContact NH1-OD1 2.87Å; R459-D540 IonicContact NH1-OD2 3.83Å; R459-D540 PolarHBondContact NH1-OD2 2.95Å; R459-D540 IonicContact NH2-OD1 2.8Å; R459-D540 PolarHBondContact NH2-OD1 2.83Å; R459-D540 IonicContact NH2-OD2 2.96Å; R459-K541 PolarHBondContact NH2-O 2.9Å
460	L	76.4	Confident	83.8	Confident	2 Å²	2	25 Å²	25	1%	0.01	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.4	-20	-170	-65.8	168.8	0	0	0	118.7	S457 H462 Y718 I751	S457-L460 WeakPolarHBondContact O-CG 3.24Å; L460-H462 VanDerWaalsContact C-N 3.35Å; L460-Y718 HydrophobicContact CB-CD1 4.08Å; L460-Y718 HydrophobicContact CB-CD2 4.37Å; L460-Y718 HydrophobicContact CB-CE1 3.69Å; L460-Y718 HydrophobicContact CB-CE2 3.99Å; L460-Y718 HydrophobicContact CB-CG 4.41Å; L460-Y718 HydrophobicContact CD1-CD1 3.86Å; L460-Y718 HydrophobicContact CD1-CE1 3.41Å; L460-Y718 VanDerWaalsContact CD1-CE1 3.41Å; L460-Y718 HydrophobicContact CG-CE1 4.15Å; L460-I751 HydrophobicContact CD1-CD1 4.46Å; L460-I751 HydrophobicContact CD1-CG2 3.83Å
461	W	81.7	Confident	84	Confident	22 Å²	22	23.5 Å²	23.5	8%	0.083	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	7.9	177.7	61.8	78.3	0	0	0	114	R459 H633 C635 S645 Y718 K720	R459-W461 PolarHBondContact O-N 3.48Å; W461-H633 HydrophobicContact CB-CB 4.17Å; W461-H633 AromaticContact CD1-CE1 3.77Å; W461-H633 AromaticContact CD1-ND1 3.35Å; W461-H633 VanDerWaalsContact CD1-ND1 3.35Å; W461-H633 HydrophobicContact CD2-CB 4.03Å; W461-H633 AromaticContact CD2-CG 3.71Å; W461-H633 AromaticContact CD2-ND1 3.7Å; W461-H633 AromaticContact CE2-CE1 3.6Å; W461-H633 AromaticContact CE2-CG 3.98Å; W461-H633 AromaticContact CE2-ND1 3.69Å; W461-H633 AromaticContact CE2-NE2 3.88Å; W461-H633 HydrophobicContact CE3-CB 4.25Å; W461-H633 HydrophobicContact CG-CB 3.96Å; W461-H633 AromaticContact CG-CG 3.82Å; W461-H633 AromaticContact CG-ND1 3.52Å; W461-H633 AromaticContact NE1-CE1 3.33Å; W461-H633 PolarHBondContact NE1-CE1 2.83Å; W461-H633 VanDerWaalsContact NE1-CE1 3.33Å; W461-H633 AromaticContact NE1-ND1 3.41Å; W461-H633 PolarHBondContact NE1-ND1 2.92Å; W461-C635 WeakPolarHBondContact CB-SG 3.37Å; W461-S645 WeakPolarHBondContact CB-OG 3.37Å; W461-S645 VanDerWaalsContact O-CB 3.29Å; W461-S645 WeakPolarHBondContact O-CB 3.42Å; W461-S645 PolarHBondContact O-OG 2.91Å; W461-Y718 HydrophobicContact CB-CD2 4.07Å; W461-Y718 HydrophobicContact CE3-CG 4.36Å; W461-K720 HydrophobicContact CH2-CB 3.73Å; W461-K720 HydrophobicContact CH2-CD 3.78Å; W461-K720 HydrophobicContact CH2-CG 3.68Å; W461-K720 HydrophobicContact CZ3-CB 3.7Å; W461-K720 HydrophobicContact CZ3-CG 4.03Å
462	H	81.9	Confident	84.2	Confident	85 Å²	85	22.4 Å²	22.4	39%	0.394	10%	0.102	S	C	.	.	S	Bend	trans	-119.4	154.4	172.3	-70.7	-64.1	0	0	0	111	R459 L460 I534	R459-H462 PolarHBondContact O-N 2.82Å; L460-H462 VanDerWaalsContact C-N 3.35Å; H462-I534 HydrophobicContact CB-CD1 4.48Å
463	K	83.5	Confident	84.5	Confident	86 Å²	86	23.8 Å²	23.8	37%	0.374	11%	0.112	S	C	.	.			trans	-72	139.2	160.2	-68.3	-165.6	168.3	-161.8	0	110.6	E487 T488 E489	K463-E487 HydrophobicContact CB-CG 3.68Å; K463-E487 WeakPolarHBondContact CB-OE1 3.29Å; K463-E487 HydrophobicContact CD-CG 3.84Å; K463-E487 VanDerWaalsContact CD-OE2 3.32Å; K463-E487 WeakPolarHBondContact CD-OE2 3.4Å; K463-E487 HydrophobicContact CG-CG 4.31Å; K463-E487 IonicContact NZ-OE2 3.38Å; K463-T488 CarbonylContact C-O 3.53Å; K463-T488 VanDerWaalsContact CA-O 3.29Å; K463-T488 WeakPolarHBondContact CA-O 3.04Å; K463-E489 WeakPolarHBondContact CE-OE1 3.49Å; K463-E489 HydrophobicContact CG-CG 3.69Å; K463-E489 VanDerWaalsContact CG-OE1 3.32Å; K463-E489 WeakPolarHBondContact CG-OE1 3.4Å
464	T	85.9	Confident	84.6	Confident	2 Å²	2	23.6 Å²	23.6	1%	0.012	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-137.3	162.7	-178.4	57.1	0	0	0	0	112	T488 E532 S533 I534	T464-T488 PolarHBondContact N-O 3.29Å; T464-T488 PolarHBondContact O-N 3.25Å; T464-E532 WeakPolarHBondContact CB-OE1 3.43Å; T464-E532 HydrophobicContact CG2-CG 4.09Å; T464-E532 WeakPolarHBondContact CG2-OE1 3.33Å; T464-E532 PolarHBondContact OG1-OE1 3.01Å; T464-S533 VanDerWaalsContact CA-O 3.32Å; T464-S533 WeakPolarHBondContact CA-O 3.44Å; T464-S533 VanDerWaalsContact CB-O 3.31Å; T464-S533 WeakPolarHBondContact CB-O 3.23Å; T464-I534 HydrophobicContact CG2-CG1 4.27Å
465	I	88.5	Confident	84.7	Confident	37 Å²	37	31.5 Å²	31.5	19%	0.19	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	136.8	171.6	-69	-177.9	0	0	0	107.8	H484 E487 E532 S533 P535	I465-H484 HydrophobicContact CG2-CB 4.33Å; I465-E487 HydrophobicContact CG1-CB 4.27Å; I465-E532 WeakPolarHBondContact O-CA 3.34Å; I465-S533 PolarHBondContact N-O 3.11Å; I465-S533 PolarHBondContact O-N 3.43Å; I465-S533 PolarHBondContact O-OG 2.88Å; I465-P535 HydrophobicContact CD1-CB 3.78Å; I465-P535 HydrophobicContact CD1-CG 4.37Å; I465-P535 HydrophobicContact CG1-CB 4.22Å; I465-P535 HydrophobicContact CG1-CG 4.32Å
466	F	90	Very high	84.6	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	125.1	172.6	-73.3	-99.8	0	0	0	109.5	L455 H484 S485 T488 P493 I530 F531 E532	L455-F466 HydrophobicContact CB-CE1 3.7Å; L455-F466 HydrophobicContact CB-CZ 3.92Å; L455-F466 HydrophobicContact CD1-CD1 3.97Å; L455-F466 HydrophobicContact CD1-CE1 3.95Å; F466-H484 WeakPolarHBondContact O-CA 3.28Å; F466-S485 PolarHBondContact N-OG 3.16Å; F466-S485 PolarHBondContact O-N 3.47Å; F466-T488 HydrophobicContact CD2-CG2 3.83Å; F466-T488 HydrophobicContact CE2-CG2 3.83Å; F466-P493 HydrophobicContact CB-CB 3.99Å; F466-P493 HydrophobicContact CB-CG 4.13Å; F466-P493 HydrophobicContact CD1-CG 4.39Å; F466-P493 HydrophobicContact CD2-CB 3.66Å; F466-P493 HydrophobicContact CD2-CG 3.75Å; F466-P493 HydrophobicContact CE2-CB 4.45Å; F466-P493 HydrophobicContact CE2-CG 4.27Å; F466-P493 HydrophobicContact CG-CB 3.96Å; F466-P493 HydrophobicContact CG-CG 3.81Å; F466-I530 HydrophobicContact CD1-CG2 3.8Å; F466-I530 HydrophobicContact CE1-CG2 4.46Å; F466-F531 CarbonylContact C-O 3.6Å; F466-F531 VanDerWaalsContact CA-O 3.29Å; F466-F531 WeakPolarHBondContact CA-O 3.35Å; F466-E532 HydrophobicContact CD1-CB 4.28Å; F466-E532 HydrophobicContact CE1-CB 4.03Å; F466-E532 HydrophobicContact CE1-CG 4.14Å; F466-E532 HydrophobicContact CE2-CG 4.16Å; F466-E532 HydrophobicContact CZ-CB 4.35Å; F466-E532 HydrophobicContact CZ-CG 3.94Å
467	C	90.1	Very high	85	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.007	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	114.7	174.8	-175.6	0	0	0	0	107.7	T482 H484 F531	C467-T482 VanDerWaalsContact SG-CG2 3.51Å; C467-H484 PolarHBondContact SG-CE1 3.08Å; C467-F531 HydrophobicContact CB-CB 4.27Å; C467-F531 PolarHBondContact N-O 2.92Å; C467-F531 PolarHBondContact O-N 2.85Å
468	V	92.7	Very high	85.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	114.7	-179.6	-174.7	0	0	0	0	109	M428 L449 V483 F495 L528 K529 I530	M428-V468 HydrophobicContact CE-CG1 4.43Å; M428-V468 HydrophobicContact SD-CG2 4.37Å; L449-V468 HydrophobicContact CD1-CB 3.87Å; L449-V468 HydrophobicContact CD1-CG1 3.68Å; L449-V468 HydrophobicContact CD1-CG2 4.39Å; V468-V483 PolarHBondContact N-O 3.46Å; V468-V483 PolarHBondContact O-N 2.83Å; V468-F495 HydrophobicContact CG2-CE1 3.98Å; V468-F495 HydrophobicContact CG2-CZ 3.63Å; V468-L528 HydrophobicContact CG1-CB 4.07Å; V468-K529 WeakPolarHBondContact CA-O 3.3Å; V468-I530 HydrophobicContact CG2-CG1 4.4Å; V468-I530 HydrophobicContact CG2-CG2 4.5Å
469	Y	92.9	Very high	86.5	Confident	73 Å²	73	46.2 Å²	46.2	29%	0.286	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	109.9	169.1	-60.6	-92.1	0	0	0	108.2	F481 T482 L528 K529 F531	Y469-F481 CarbonylContact C-O 3.59Å; Y469-F481 WeakPolarHBondContact CA-O 3.37Å; Y469-T482 HydrophobicContact CD1-CG2 4.07Å; Y469-T482 WeakPolarHBondContact CD1-OG1 3.43Å; Y469-T482 HydrophobicContact CE1-CG2 3.8Å; Y469-T482 WeakPolarHBondContact CE1-OG1 3.1Å; Y469-L528 WeakPolarHBondContact O-CA 3.44Å; Y469-K529 PolarHBondContact N-O 3.49Å; Y469-K529 PolarHBondContact O-N 3.27Å; Y469-F531 AromaticContact CD2-CD2 3.5Å; Y469-F531 HydrophobicContact CD2-CD2 3.5Å; Y469-F531 AromaticContact CD2-CE2 3.52Å; Y469-F531 HydrophobicContact CD2-CE2 3.52Å; Y469-F531 AromaticContact CE2-CD2 3.59Å; Y469-F531 HydrophobicContact CE2-CD2 3.59Å; Y469-F531 AromaticContact CE2-CE2 3.75Å; Y469-F531 HydrophobicContact CE2-CE2 3.75Å; Y469-F531 HydrophobicContact CE2-CG 4.3Å
470	C	93.5	Very high	87.1	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	108.5	175.1	177.6	0	0	0	0	109.5	T480 F481 I501 L528	C470-T480 CarbonylContact O-C 3.48Å; C470-T480 WeakPolarHBondContact O-CA 3.29Å; C470-F481 PolarHBondContact N-O 3.38Å; C470-F481 PolarHBondContact O-N 2.84Å; C470-I501 HydrophobicContact CB-CD1 3.43Å; C470-I501 VanDerWaalsContact CB-CD1 3.43Å; C470-L528 HydrophobicContact CB-CD2 3.48Å; C470-L528 VanDerWaalsContact CB-CD2 3.48Å; C470-L528 WeakPolarHBondContact SG-CD2 3.35Å
471	T	92.5	Very high	87.8	Confident	29 Å²	29	50.5 Å²	50.5	18%	0.178	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123	167.7	-56.2	0	0	0	0	108.9	S478 Q479 T480 K527	T471-S478 WeakPolarHBondContact CG2-OG 3.44Å; T471-Q479 CarbonylContact C-O 3.55Å; T471-Q479 WeakPolarHBondContact CA-O 3.29Å; T471-T480 WeakPolarHBondContact CB-OG1 3.48Å; T471-T480 WeakPolarHBondContact CG2-OG1 3.49Å; T471-T480 PolarHBondContact OG1-OG1 3.16Å; T471-K527 PolarHBondContact N-O 3.1Å; T471-K527 PolarHBondContact O-N 2.84Å
472	V	91.3	Very high	88.3	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.6	168.6	-175.8	0	0	0	0	107.2	I445 V447 S478 Q479 M503 I524 I526	I445-V472 HydrophobicContact CG2-CG1 3.93Å; V447-V472 HydrophobicContact CG2-CG2 4.11Å; V472-S478 WeakPolarHBondContact O-CA 3.36Å; V472-Q479 PolarHBondContact N-O 2.76Å; V472-Q479 PolarHBondContact O-N 3.41Å; V472-M503 HydrophobicContact CB-SD 3.78Å; V472-M503 HydrophobicContact CG1-SD 3.66Å; V472-I524 HydrophobicContact CG1-CG2 3.68Å; V472-I526 HydrophobicContact CG2-CG1 4.49Å
473	S	89.8	Confident	88.6	Confident	29 Å²	29	49.1 Å²	49.1	20%	0.203	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	136.1	-172	52.9	0	0	0	0	113.3	N477 I524 H525	S473-N477 WeakPolarHBondContact CA-O 3.43Å; S473-I524 WeakPolarHBondContact O-CA 3.28Å; S473-H525 PolarHBondContact N-O 3.49Å; S473-H525 PolarHBondContact O-N 3.17Å; S473-H525 PolarHBondContact OG-O 2.88Å; S473-H525 VanDerWaalsContact OG-O 3.12Å
474	T	85.6	Confident	88.9	Confident	32 Å²	32	50 Å²	50	20%	0.196	26%	0.258	C	S	.	.			trans	-109.9	-169.6	166.4	67.3	0	0	0	0	109.8	E476 N477 L505 I524	T474-E476 PolarHBondContact O-N 2.82Å; T474-E476 PolarHBondContact OG1-N 2.99Å; T474-N477 PolarHBondContact N-O 3.23Å; T474-N477 PolarHBondContact OG1-N 3.19Å; T474-N477 PolarHBondContact OG1-O 2.68Å; T474-L505 HydrophobicContact CG2-CD2 3.81Å; T474-I524 HydrophobicContact CG2-CB 4.47Å; T474-I524 HydrophobicContact CG2-CG1 3.74Å
475	K	81.8	Confident	89	Confident	177 Å²	177	50.3 Å²	50.3	77%	0.77	26%	0.26	S	S	*	.	S	Bend	trans	-62.4	-20.6	173	-73.2	-176.5	175.6	176.7	0	114.4
476	E	80	Confident	88.9	Confident	113 Å²	113	54 Å²	54	53%	0.528	28%	0.275	S	S	.	.	S	Bend	trans	-122.8	-44.3	-170.1	-69.4	171.3	134.5	0	0	112.9	T474 R508	T474-E476 PolarHBondContact O-N 2.82Å; T474-E476 PolarHBondContact OG1-N 2.99Å; E476-R508 IonicContact OE1-CZ 2.68Å; E476-R508 IonicContact OE1-NE 2.85Å; E476-R508 IonicContact OE1-NH2 2.75Å; E476-R508 PolarHBondContact OE1-NH2 3.45Å; E476-R508 IonicContact OE2-CZ 2.87Å; E476-R508 IonicContact OE2-NE 2.76Å; E476-R508 PolarHBondContact OE2-NE 2.97Å; E476-R508 IonicContact OE2-NH2 3.4Å; E476-R508 PolarHBondContact OE2-NH2 2.98Å
477	N	83	Confident	88.7	Confident	72 Å²	72	58 Å²	58	39%	0.385	29%	0.294	S	S	.	.			trans	-111.4	141.1	-177.5	-75.7	-16.7	0	0	0	111	S473 T474 M503	S473-N477 WeakPolarHBondContact CA-O 3.43Å; T474-N477 PolarHBondContact N-O 3.23Å; T474-N477 PolarHBondContact OG1-N 3.19Å; T474-N477 PolarHBondContact OG1-O 2.68Å; N477-M503 HydrophobicContact CB-CE 3.64Å
478	S	88.1	Confident	88.3	Confident	80 Å²	80	59 Å²	59	56%	0.559	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135	126.8	170.7	-176.4	0	0	0	0	109.3	T471 V472	T471-S478 WeakPolarHBondContact CG2-OG 3.44Å; V472-S478 WeakPolarHBondContact O-CA 3.36Å
479	Q	90.3	Very high	87.6	Confident	83 Å²	83	59.7 Å²	59.7	39%	0.388	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	140	176.1	-68.7	-177.2	-6.3	0	0	109.2	T471 V472 F481 M503	T471-Q479 CarbonylContact C-O 3.55Å; T471-Q479 WeakPolarHBondContact CA-O 3.29Å; V472-Q479 PolarHBondContact N-O 2.76Å; V472-Q479 PolarHBondContact O-N 3.41Å; Q479-F481 HydrophobicContact CB-CD2 4.42Å; Q479-F481 HydrophobicContact CB-CE2 3.57Å; Q479-F481 HydrophobicContact CB-CZ 3.94Å; Q479-M503 HydrophobicContact CB-CE 4.32Å; Q479-M503 HydrophobicContact CB-SD 3.99Å; Q479-M503 HydrophobicContact CG-CE 3.93Å; Q479-M503 HydrophobicContact CG-SD 4.18Å
480	T	90.4	Very high	86.7	Confident	80 Å²	80	56.8 Å²	56.8	49%	0.491	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.8	178.2	-60.6	0	0	0	0	110.3	C470 T471	C470-T480 CarbonylContact O-C 3.48Å; C470-T480 WeakPolarHBondContact O-CA 3.29Å; T471-T480 WeakPolarHBondContact CB-OG1 3.48Å; T471-T480 WeakPolarHBondContact CG2-OG1 3.49Å; T471-T480 PolarHBondContact OG1-OG1 3.16Å
481	F	91.3	Very high	85.7	Confident	58 Å²	58	56.8 Å²	56.8	25%	0.254	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	142.6	-175.9	-56.2	-98.7	0	0	0	109.5	Y469 C470 Q479 I501 M503	Y469-F481 CarbonylContact C-O 3.59Å; Y469-F481 WeakPolarHBondContact CA-O 3.37Å; C470-F481 PolarHBondContact N-O 3.38Å; C470-F481 PolarHBondContact O-N 2.84Å; Q479-F481 HydrophobicContact CB-CD2 4.42Å; Q479-F481 HydrophobicContact CB-CE2 3.57Å; Q479-F481 HydrophobicContact CB-CZ 3.94Å; F481-I501 HydrophobicContact CB-CD1 4.04Å; F481-I501 HydrophobicContact CB-CG1 3.95Å; F481-I501 HydrophobicContact CB-CG2 3.98Å; F481-I501 HydrophobicContact CD1-CG2 3.84Å; F481-I501 HydrophobicContact CD2-CG2 3.25Å; F481-I501 HydrophobicContact CE1-CG2 4.05Å; F481-I501 HydrophobicContact CE2-CG2 3.5Å; F481-I501 VanDerWaalsContact CE2-CG2 3.5Å; F481-I501 HydrophobicContact CG-CB 4.47Å; F481-I501 HydrophobicContact CG-CG1 4.28Å; F481-I501 HydrophobicContact CG-CG2 3.42Å; F481-I501 VanDerWaalsContact CG-CG2 3.42Å; F481-I501 HydrophobicContact CZ-CG2 3.89Å; F481-M503 HydrophobicContact CE2-CB 4.48Å; F481-M503 HydrophobicContact CZ-CB 4.43Å
482	T	90.4	Very high	85.1	Confident	68 Å²	68	56.6 Å²	56.6	42%	0.417	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124	179.9	-49	0	0	0	0	109.9	C467 Y469	C467-T482 VanDerWaalsContact SG-CG2 3.51Å; Y469-T482 HydrophobicContact CD1-CG2 4.07Å; Y469-T482 WeakPolarHBondContact CD1-OG1 3.43Å; Y469-T482 HydrophobicContact CE1-CG2 3.8Å; Y469-T482 WeakPolarHBondContact CE1-OG1 3.1Å
483	V	89.9	Confident	84.6	Confident	11 Å²	11	56.6 Å²	56.6	7%	0.067	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	127.1	-179.8	173.5	0	0	0	0	110.1	L449 V468 F495 N499 I501	L449-V483 HydrophobicContact CD1-CB 3.99Å; L449-V483 HydrophobicContact CD1-CG1 3.99Å; L449-V483 HydrophobicContact CD1-CG2 4.29Å; V468-V483 PolarHBondContact N-O 3.46Å; V468-V483 PolarHBondContact O-N 2.83Å; V483-F495 HydrophobicContact CG1-CD1 3.66Å; V483-F495 HydrophobicContact CG1-CE1 4.05Å; V483-N499 HydrophobicContact CG1-CB 3.76Å; V483-N499 VanDerWaalsContact CG1-ND2 3.29Å; V483-N499 WeakPolarHBondContact CG1-ND2 3.34Å; V483-I501 HydrophobicContact CG2-CD1 3.66Å; V483-I501 HydrophobicContact CG2-CG1 4Å
484	H	89	Confident	84.3	Confident	103 Å²	103	61 Å²	61	48%	0.477	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	138.2	176.9	-57.6	-72.7	0	0	0	111.1	I465 F466 C467 N499	I465-H484 HydrophobicContact CG2-CB 4.33Å; F466-H484 WeakPolarHBondContact O-CA 3.28Å; C467-H484 PolarHBondContact SG-CE1 3.08Å; H484-N499 PolarHBondContact O-ND2 2.95Å; H484-N499 VanDerWaalsContact O-ND2 3.08Å
485	S	88.1	Confident	84.1	Confident	9 Å²	9	59.9 Å²	59.9	6%	0.063	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-73.9	166.5	168.1	77.7	0	0	0	0	111.1	F466	F466-S485 PolarHBondContact N-OG 3.16Å; F466-S485 PolarHBondContact O-N 3.47Å
486	K	86.2	Confident	83.6	Confident	114 Å²	114	53.3 Å²	53.3	50%	0.496	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-64.1	157.5	157.5	-65.1	173.8	-176.7	169.8	0	109.7	T488 Q494	K486-T488 PolarHBondContact O-N 3.14Å; K486-Q494 PolarHBondContact N-O 3.1Å
487	E	86.3	Confident	82.6	Confident	85 Å²	85	53.7 Å²	53.7	40%	0.397	28%	0.283	S	S	.	.	S	Bend	trans	-57.4	122.2	169.3	-175.5	-174.7	-134	0	0	109.1	K463 I465 P535	K463-E487 HydrophobicContact CB-CG 3.68Å; K463-E487 WeakPolarHBondContact CB-OE1 3.29Å; K463-E487 HydrophobicContact CD-CG 3.84Å; K463-E487 VanDerWaalsContact CD-OE2 3.32Å; K463-E487 WeakPolarHBondContact CD-OE2 3.4Å; K463-E487 HydrophobicContact CG-CG 4.31Å; K463-E487 IonicContact NZ-OE2 3.38Å; I465-E487 HydrophobicContact CG1-CB 4.27Å; E487-P535 HydrophobicContact CG-CG 4.13Å; E487-P535 VanDerWaalsContact OE1-CG 3.31Å; E487-P535 WeakPolarHBondContact OE1-CG 3.01Å
488	T	81.5	Confident	81.3	Confident	22 Å²	22	58.6 Å²	58.6	14%	0.135	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-130.5	174.3	-172.7	-165.4	0	0	0	0	111.9	K463 T464 F466 K486 C492 P493	K463-T488 CarbonylContact C-O 3.53Å; K463-T488 VanDerWaalsContact CA-O 3.29Å; K463-T488 WeakPolarHBondContact CA-O 3.04Å; T464-T488 PolarHBondContact N-O 3.29Å; T464-T488 PolarHBondContact O-N 3.25Å; F466-T488 HydrophobicContact CD2-CG2 3.83Å; F466-T488 HydrophobicContact CE2-CG2 3.83Å; K486-T488 PolarHBondContact O-N 3.14Å; T488-C492 PolarHBondContact OG1-O 3.41Å; T488-P493 HydrophobicContact CG2-CB 4.02Å
489	E	77.7	Confident	80.4	Confident	14 Å²	14	56 Å²	56	7%	0.065	28%	0.284	C	S	.	.	S	Bend	trans	-129.2	164.1	175.1	-65	178.3	172.5	0	0	109.7	K463 G491 C492 N641 I642	K463-E489 WeakPolarHBondContact CE-OE1 3.49Å; K463-E489 HydrophobicContact CG-CG 3.69Å; K463-E489 VanDerWaalsContact CG-OE1 3.32Å; K463-E489 WeakPolarHBondContact CG-OE1 3.4Å; E489-G491 PolarHBondContact O-N 3.47Å; E489-C492 PolarHBondContact O-N 2.78Å; E489-N641 WeakPolarHBondContact OE2-CA 3.3Å; E489-I642 HydrophobicContact CG-CD1 4.38Å; E489-I642 WeakPolarHBondContact OE2-CG1 3.49Å; E489-I642 PolarHBondContact OE2-N 3.01Å
490	F	73.3	Confident	79.7	Confident	13 Å²	13	56.1 Å²	56.1	6%	0.057	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	8.2	169.3	-50.1	-71	0	0	0	118	I637 G640 I642 Y718 F769	F490-I637 HydrophobicContact CE1-CD1 3.96Å; F490-I637 HydrophobicContact CZ-CD1 3.62Å; F490-I637 HydrophobicContact CZ-CG1 4.08Å; F490-G640 VanDerWaalsContact CE2-O 3.28Å; F490-G640 WeakPolarHBondContact CE2-O 3.1Å; F490-I642 HydrophobicContact CE1-CD1 4.02Å; F490-I642 HydrophobicContact CE1-CG1 4.07Å; F490-I642 HydrophobicContact CE2-CD1 4.37Å; F490-I642 HydrophobicContact CE2-CG1 3.95Å; F490-I642 HydrophobicContact CZ-CD1 3.77Å; F490-I642 HydrophobicContact CZ-CG1 3.36Å; F490-Y718 VanDerWaalsContact CD1-OH 3.31Å; F490-Y718 WeakPolarHBondContact CD1-OH 3.41Å; F490-Y718 HydrophobicContact CE1-CE2 4.5Å; F490-Y718 VanDerWaalsContact CE1-OH 3.25Å; F490-Y718 WeakPolarHBondContact CE1-OH 3.44Å; F490-F769 HydrophobicContact CB-CD1 4.09Å; F490-F769 HydrophobicContact CB-CE1 3.39Å; F490-F769 HydrophobicContact CB-CZ 3.83Å; F490-F769 HydrophobicContact CD2-CE1 4.16Å; F490-F769 AromaticContact CD2-CZ 3.74Å; F490-F769 HydrophobicContact CD2-CZ 3.74Å; F490-F769 HydrophobicContact CG-CE1 4.03Å; F490-F769 AromaticContact CG-CZ 3.93Å; F490-F769 HydrophobicContact CG-CZ 3.93Å
491	G	74.4	Confident	79.4	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	25.7	179.6	0	0	0	0	0	115.2	N454 L455 E489 P493	N454-G491 PolarHBondContact N-O 2.96Å; L455-G491 PolarHBondContact N-O 3.05Å; L455-G491 WeakPolarHBondContact O-CA 3.49Å; E489-G491 PolarHBondContact O-N 3.47Å; G491-P493 WeakPolarHBondContact O-CD 3.4Å
492	C	78.1	Confident	79	Confident	25 Å²	25	52.8 Å²	52.8	17%	0.169	27%	0.27	C	S	.	.			trans	-116.4	66.4	176.2	-69.8	0	0	0	0	112.2	G452 T488 E489 Q494	G452-C492 WeakPolarHBondContact O-CA 3.2Å; T488-C492 PolarHBondContact OG1-O 3.41Å; E489-C492 PolarHBondContact O-N 2.78Å; C492-Q494 PolarHBondContact O-N 3.1Å
493	P	82.4	Confident	78.7	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-66.4	129.4	179.5	25.7	-32.7	0	0	0	112	T451 G452 L455 F466 T488 G491 F495	T451-P493 CarbonylContact C-O 3.51Å; T451-P493 WeakPolarHBondContact CA-O 3.04Å; T451-P493 PolarHBondContact OG1-O 2.93Å; T451-P493 VanDerWaalsContact OG1-O 3.13Å; G452-P493 PolarHBondContact N-O 3.49Å; L455-P493 HydrophobicContact CD1-CG 3.72Å; F466-P493 HydrophobicContact CB-CB 3.99Å; F466-P493 HydrophobicContact CB-CG 4.13Å; F466-P493 HydrophobicContact CD1-CG 4.39Å; F466-P493 HydrophobicContact CD2-CB 3.66Å; F466-P493 HydrophobicContact CD2-CG 3.75Å; F466-P493 HydrophobicContact CE2-CB 4.45Å; F466-P493 HydrophobicContact CE2-CG 4.27Å; F466-P493 HydrophobicContact CG-CB 3.96Å; F466-P493 HydrophobicContact CG-CG 3.81Å; T488-P493 HydrophobicContact CG2-CB 4.02Å; G491-P493 WeakPolarHBondContact O-CD 3.4Å; P493-F495 HydrophobicContact CB-CE2 4.37Å; P493-F495 HydrophobicContact CB-CZ 4.33Å; P493-F495 HydrophobicContact CG-CE2 4.39Å; P493-F495 HydrophobicContact CG-CZ 4.48Å
494	Q	81.7	Confident	78.2	Confident	121 Å²	121	52.5 Å²	52.5	57%	0.565	27%	0.266	S	S	*	.	B	Isolated β-bridge	trans	-97.7	133.4	164.7	-66.8	-177	-2.7	0	0	109.7	K486 C492	K486-Q494 PolarHBondContact N-O 3.1Å; C492-Q494 PolarHBondContact O-N 3.1Å
495	F	82.2	Confident	77.6	Confident	9 Å²	9	47.7 Å²	47.7	4%	0.039	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-95.2	157.7	172.1	-62	-78.2	0	0	0	109.5	M428 L449 Y450 V468 V483 P493 N499	M428-F495 HydrophobicContact SD-CE2 4.28Å; L449-F495 HydrophobicContact CB-CB 4.49Å; L449-F495 HydrophobicContact CB-CD2 4.08Å; L449-F495 HydrophobicContact CB-CG 4.14Å; L449-F495 VanDerWaalsContact O-CB 3.24Å; L449-F495 WeakPolarHBondContact O-CB 3.38Å; Y450-F495 PolarHBondContact O-N 2.6Å; Y450-F495 VanDerWaalsContact O-N 3.08Å; V468-F495 HydrophobicContact CG2-CE1 3.98Å; V468-F495 HydrophobicContact CG2-CZ 3.63Å; V483-F495 HydrophobicContact CG1-CD1 3.66Å; V483-F495 HydrophobicContact CG1-CE1 4.05Å; P493-F495 HydrophobicContact CB-CE2 4.37Å; P493-F495 HydrophobicContact CB-CZ 4.33Å; P493-F495 HydrophobicContact CG-CE2 4.39Å; P493-F495 HydrophobicContact CG-CZ 4.48Å; F495-N499 HydrophobicContact CB-CB 4.39Å
496	S	71.5	Confident	76.6	Confident	39 Å²	39	50.5 Å²	50.5	27%	0.273	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-79.8	148.5	177	6.1	0	0	0	0	110.7	H498 N499	S496-H498 PolarHBondContact O-N 2.71Å; S496-N499 WeakPolarHBondContact CB-OD1 3.47Å; S496-N499 PolarHBondContact N-ND2 2.73Å; S496-N499 WeakPolarHBondContact O-CB 3.24Å; S496-N499 VanDerWaalsContact O-CG 3.3Å; S496-N499 PolarHBondContact O-N 2.69Å; S496-N499 PolarHBondContact O-OD1 3Å; S496-N499 PolarHBondContact OG-ND2 2.74Å; S496-N499 PolarHBondContact OG-OD1 3.43Å
497	N	58.7	Low	75.5	Confident	121 Å²	121	46.6 Å²	46.6	65%	0.647	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-13	176.8	-58.8	33.8	0	0	0	114.4
498	H	56.1	Low	74	Confident	175 Å²	175	49.2 Å²	49.2	81%	0.81	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	2	174.9	-53.6	103.8	0	0	0	113.2	S496 E500	S496-H498 PolarHBondContact O-N 2.71Å; H498-E500 PolarHBondContact O-N 3.45Å
499	N	68.5	Low	72.6	Confident	27 Å²	27	56.3 Å²	56.3	14%	0.144	28%	0.278	C	S	.	.			trans	-84	44	178.3	-62.2	15.5	0	0	0	110.7	V483 H484 F495 S496	V483-N499 HydrophobicContact CG1-CB 3.76Å; V483-N499 VanDerWaalsContact CG1-ND2 3.29Å; V483-N499 WeakPolarHBondContact CG1-ND2 3.34Å; H484-N499 PolarHBondContact O-ND2 2.95Å; H484-N499 VanDerWaalsContact O-ND2 3.08Å; F495-N499 HydrophobicContact CB-CB 4.39Å; S496-N499 WeakPolarHBondContact CB-OD1 3.47Å; S496-N499 PolarHBondContact N-ND2 2.73Å; S496-N499 WeakPolarHBondContact O-CB 3.24Å; S496-N499 VanDerWaalsContact O-CG 3.3Å; S496-N499 PolarHBondContact O-N 2.69Å; S496-N499 PolarHBondContact O-OD1 3Å; S496-N499 PolarHBondContact OG-ND2 2.74Å; S496-N499 PolarHBondContact OG-OD1 3.43Å
500	E	75.8	Confident	70.8	Confident	85 Å²	85	58.5 Å²	58.5	40%	0.397	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.8	174.4	-49	-152.6	117	0	0	109.1	L446 T448 H498	L446-E500 HydrophobicContact CD1-CB 3.89Å; L446-E500 HydrophobicContact CG-CB 4.28Å; T448-E500 HydrophobicContact CG2-CG 3.96Å; T448-E500 VanDerWaalsContact CG2-OE1 3.3Å; T448-E500 WeakPolarHBondContact CG2-OE1 3.33Å; T448-E500 PolarHBondContact OG1-OE1 3.15Å; H498-E500 PolarHBondContact O-N 3.45Å
501	I	84.7	Confident	69.1	Low	10 Å²	10	61.3 Å²	61.3	5%	0.051	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	115	-178.6	-67.5	156.2	0	0	0	108.1	L446 V447 C470 F481 V483	L446-I501 CarbonylContact C-O 3.59Å; L446-I501 VanDerWaalsContact CA-O 3.32Å; L446-I501 WeakPolarHBondContact CA-O 3.28Å; V447-I501 HydrophobicContact CB-CB 4.33Å; V447-I501 PolarHBondContact N-O 3.04Å; V447-I501 PolarHBondContact O-N 2.78Å; C470-I501 HydrophobicContact CB-CD1 3.43Å; C470-I501 VanDerWaalsContact CB-CD1 3.43Å; F481-I501 HydrophobicContact CB-CD1 4.04Å; F481-I501 HydrophobicContact CB-CG1 3.95Å; F481-I501 HydrophobicContact CB-CG2 3.98Å; F481-I501 HydrophobicContact CD1-CG2 3.84Å; F481-I501 HydrophobicContact CD2-CG2 3.25Å; F481-I501 HydrophobicContact CE1-CG2 4.05Å; F481-I501 HydrophobicContact CE2-CG2 3.5Å; F481-I501 VanDerWaalsContact CE2-CG2 3.5Å; F481-I501 HydrophobicContact CG-CB 4.47Å; F481-I501 HydrophobicContact CG-CG1 4.28Å; F481-I501 HydrophobicContact CG-CG2 3.42Å; F481-I501 VanDerWaalsContact CG-CG2 3.42Å; F481-I501 HydrophobicContact CZ-CG2 3.89Å; V483-I501 HydrophobicContact CG2-CD1 3.66Å; V483-I501 HydrophobicContact CG2-CG1 4Å
502	S	82.8	Confident	67.7	Low	58 Å²	58	69.5 Å²	69.5	41%	0.406	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130.5	173	58.3	0	0	0	0	111.3	I445	I445-S502 WeakPolarHBondContact O-CA 3.3Å
503	M	83.2	Confident	65.9	Low	1 Å²	1	75.3 Å²	75.3	1%	0.005	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	126.2	166.7	175.4	174.3	-176.9	0	0	109.2	I445 V472 N477 Q479 F481 L505	I445-M503 HydrophobicContact CG2-CB 3.91Å; I445-M503 PolarHBondContact N-O 3.49Å; I445-M503 PolarHBondContact O-N 2.9Å; V472-M503 HydrophobicContact CB-SD 3.78Å; V472-M503 HydrophobicContact CG1-SD 3.66Å; N477-M503 HydrophobicContact CB-CE 3.64Å; Q479-M503 HydrophobicContact CB-CE 4.32Å; Q479-M503 HydrophobicContact CB-SD 3.99Å; Q479-M503 HydrophobicContact CG-CE 3.93Å; Q479-M503 HydrophobicContact CG-SD 4.18Å; F481-M503 HydrophobicContact CE2-CB 4.48Å; F481-M503 HydrophobicContact CZ-CB 4.43Å; M503-L505 HydrophobicContact CE-CD2 3.92Å; M503-L505 HydrophobicContact CG-CD2 4.02Å; M503-L505 HydrophobicContact SD-CD2 4.11Å
504	N	80.8	Confident	63.8	Low	72 Å²	72	82.7 Å²	82.7	39%	0.385	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	138.9	171.2	-68.8	19.9	0	0	0	109.4	Q442 Q444	Q442-N504 PolarHBondContact OE1-ND2 3.24Å; Q444-N504 PolarHBondContact NE2-OD1 3.43Å
505	L	76.3	Confident	61.9	Low	2 Å²	2	79.3 Å²	79.3	1%	0.01	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.6	-175.7	-59.6	175.5	0	0	0	108.8	Y434 Q442 D443 I445 T474 M503 V507 P522 I524	Y434-L505 HydrophobicContact CE2-CD1 4.31Å; Q442-L505 CarbonylContact C-O 3.59Å; Q442-L505 WeakPolarHBondContact CA-O 3.5Å; D443-L505 HydrophobicContact CB-CB 4.3Å; D443-L505 PolarHBondContact N-O 3.06Å; D443-L505 PolarHBondContact O-N 2.89Å; I445-L505 HydrophobicContact CB-CD1 4.18Å; I445-L505 HydrophobicContact CG2-CD1 3.92Å; I445-L505 HydrophobicContact CG2-CG 4.25Å; T474-L505 HydrophobicContact CG2-CD2 3.81Å; M503-L505 HydrophobicContact CE-CD2 3.92Å; M503-L505 HydrophobicContact CG-CD2 4.02Å; M503-L505 HydrophobicContact SD-CD2 4.11Å; L505-V507 PolarHBondContact O-N 3.11Å; L505-P522 HydrophobicContact CD1-CG 4.31Å; L505-I524 HydrophobicContact CD1-CD1 3.44Å; L505-I524 VanDerWaalsContact CD1-CD1 3.44Å; L505-I524 HydrophobicContact CD1-CG1 3.87Å
506	P	66	Low	60.1	Low	68 Å²	68	83.4 Å²	83.4	44%	0.442	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	126.8	177.2	28	-33	0	0	0	110.2	R508	P506-R508 PolarHBondContact O-N 3.14Å; P506-R508 VanDerWaalsContact O-N 3.1Å
507	V	63.3	Low	58.7	Low	31 Å²	31	88.6 Å²	88.6	19%	0.188	48%	0.483	C	S	.	.			trans	-67.1	109.7	178.6	175.5	0	0	0	0	109.7	N441 D443 L505 R509	N441-V507 WeakPolarHBondContact O-CB 3.48Å; N441-V507 VanDerWaalsContact O-CG2 3.3Å; N441-V507 WeakPolarHBondContact O-CG2 3.37Å; N441-V507 PolarHBondContact O-N 3.31Å; D443-V507 WeakPolarHBondContact OD1-CG2 3.43Å; D443-V507 WeakPolarHBondContact OD2-CG2 3.23Å; L505-V507 PolarHBondContact O-N 3.11Å; V507-R509 HydrophobicContact CG1-CG 4.12Å; V507-R509 PolarHBondContact O-N 3.43Å
508	R	55.4	Low	58.1	Low	140 Å²	140	87.6 Å²	87.6	53%	0.528	48%	0.478	S	S	.	.			trans	-78.4	97.1	167.9	-81.3	172.6	153.8	-115.1	-5.9	109.2	E476 P506 C510	E476-R508 IonicContact OE1-CZ 2.68Å; E476-R508 IonicContact OE1-NE 2.85Å; E476-R508 IonicContact OE1-NH2 2.75Å; E476-R508 PolarHBondContact OE1-NH2 3.45Å; E476-R508 IonicContact OE2-CZ 2.87Å; E476-R508 IonicContact OE2-NE 2.76Å; E476-R508 PolarHBondContact OE2-NE 2.97Å; E476-R508 IonicContact OE2-NH2 3.4Å; E476-R508 PolarHBondContact OE2-NH2 2.98Å; P506-R508 PolarHBondContact O-N 3.14Å; P506-R508 VanDerWaalsContact O-N 3.1Å; R508-C510 PolarHBondContact O-N 3.36Å
509	R	51.1	Low	58	Low	172 Å²	172	83.5 Å²	83.5	65%	0.649	46%	0.461	S	S	*	.			trans	-72.2	117.6	166.5	-63.6	-173.4	-177.6	-156.2	-1.2	109	N441 V507	N441-R509 PolarHBondContact OD1-NE 3.5Å; N441-R509 PolarHBondContact OD1-NH2 3.14Å; V507-R509 HydrophobicContact CG1-CG 4.12Å; V507-R509 PolarHBondContact O-N 3.43Å
510	C	40.7	Very low	57.4	Low	60 Å²	60	88.8 Å²	88.8	41%	0.405	49%	0.485	S	S	.	.			trans	-84.9	120.1	173.6	-75.4	0	0	0	0	109.8	R508	R508-C510 PolarHBondContact O-N 3.36Å
511	S	38.6	Very low	56.8	Low	71 Å²	71	87 Å²	87	50%	0.497	49%	0.485	S	S	.	.			trans	72.6	168.1	-177	98.9	0	0	0	0	116.7	L513	S511-L513 PolarHBondContact OG-N 3.33Å
512	I	43.7	Very low	55.9	Low	173 Å²	173	88 Å²	88	89%	0.887	49%	0.492	S	S	*	.	S	Bend	trans	-98.8	-5.3	-179.6	-68.9	167.6	0	0	0	110.9
513	L	40.3	Very low	55.8	Low	147 Å²	147	89.6 Å²	89.6	77%	0.77	49%	0.492	S	S	*	.	S	Bend	trans	-77.4	128.9	-178.5	-75.3	161.8	0	0	0	110.9	S511 G515	S511-L513 PolarHBondContact OG-N 3.33Å; L513-G515 VanDerWaalsContact C-N 3.29Å; L513-G515 PolarHBondContact O-N 3.03Å
514	T	38	Very low	55.8	Low	155 Å²	155	89.6 Å²	89.6	95%	0.951	49%	0.492	S	S	*	.			trans	-77.4	74.3	-178.2	48.8	0	0	0	0	111.4
515	G	41.8	Very low	56.3	Low	49 Å²	49	90.5 Å²	90.5	51%	0.505	49%	0.493	S	S	.	.			trans	-125.7	132.6	171.2	0	0	0	0	0	111.1	L513 H517	L513-G515 VanDerWaalsContact C-N 3.29Å; L513-G515 PolarHBondContact O-N 3.03Å; G515-H517 PolarHBondContact O-N 3.22Å
516	A	45.6	Very low	57	Low	95 Å²	95	90.5 Å²	90.5	79%	0.785	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	23	-171	0	0	0	0	0	115.3
517	H	42.3	Very low	58.3	Low	149 Å²	149	91.2 Å²	91.2	69%	0.69	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.9	-19.4	-168	-65.2	-61.3	0	0	0	115.4	G515 I519	G515-H517 PolarHBondContact O-N 3.22Å; H517-I519 VanDerWaalsContact C-N 3.3Å; H517-I519 PolarHBondContact O-N 3.45Å; H517-I519 VanDerWaalsContact O-N 3.16Å
518	D	44.9	Very low	59.8	Low	99 Å²	99	89.8 Å²	89.8	53%	0.529	48%	0.481	S	S	.	.			trans	-90.6	39	-173.1	-71.4	-10.7	0	0	0	114.4	E520	D518-E520 PolarHBondContact O-N 3.01Å
519	I	53.4	Low	61.6	Low	89 Å²	89	85.7 Å²	85.7	46%	0.456	47%	0.467	S	S	.	.			trans	-95.2	85.5	169.1	-54	-179.3	0	0	0	108.3	H517 A521	H517-I519 VanDerWaalsContact C-N 3.3Å; H517-I519 PolarHBondContact O-N 3.45Å; H517-I519 VanDerWaalsContact O-N 3.16Å; I519-A521 PolarHBondContact O-N 2.7Å
520	E	56.7	Low	63.6	Low	139 Å²	139	77.5 Å²	77.5	65%	0.65	44%	0.436	S	S	*	.			trans	-68	113.5	173.1	-168.1	-173.8	-154.3	0	0	109.3	D518	D518-E520 PolarHBondContact O-N 3.01Å
521	A	62.7	Low	66	Low	47 Å²	47	76 Å²	76	39%	0.388	42%	0.422	S	S	.	.			trans	-59.4	128.9	-176.7	0	0	0	0	0	111	I519 K523	I519-A521 PolarHBondContact O-N 2.7Å; A521-K523 PolarHBondContact O-N 3.18Å
522	P	67.3	Low	68.4	Low	32 Å²	32	72.6 Å²	72.6	21%	0.208	40%	0.399	C	S	.	.			trans	-61.9	131	-173.9	20.8	-30.2	0	0	0	111.7	Y434 L505 I524 T552	Y434-P522 HydrophobicContact CE2-CG 4.2Å; Y434-P522 WeakPolarHBondContact OH-CD 3.37Å; L505-P522 HydrophobicContact CD1-CG 4.31Å; P522-I524 HydrophobicContact CB-CG1 4.39Å; P522-I524 HydrophobicContact CG-CD1 4.17Å; P522-I524 WeakPolarHBondContact O-CD1 3.4Å; P522-I524 WeakPolarHBondContact O-CG1 3.48Å; P522-I524 PolarHBondContact O-N 3.26Å; P522-I524 VanDerWaalsContact O-N 3.13Å; P522-T552 PolarHBondContact O-OG1 3.27Å
523	K	79.3	Confident	70.4	Confident	91 Å²	91	65.5 Å²	65.5	40%	0.396	37%	0.365	S	S	.	.			trans	-67.8	109.1	171.9	-60.7	-173.4	176.7	-148.6	0	108.6	A521 E553	A521-K523 PolarHBondContact O-N 3.18Å; K523-E553 HydrophobicContact CD-CG 4.28Å; K523-E553 VanDerWaalsContact CD-OE1 3.3Å; K523-E553 WeakPolarHBondContact CD-OE1 3.32Å; K523-E553 VanDerWaalsContact CE-OE1 3.26Å; K523-E553 WeakPolarHBondContact CE-OE1 3.3Å; K523-E553 HydrophobicContact CG-CG 4.18Å; K523-E553 IonicContact NZ-OE1 2.85Å; K523-E553 PolarHBondContact NZ-OE1 3.09Å
524	I	84.4	Confident	72.4	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	33%	0.333	C	S	.	.			trans	-115.5	126.8	-177.6	-56.9	140.9	0	0	0	107.5	Y434 I445 V472 S473 T474 L505 P522 I526 T552	Y434-I524 HydrophobicContact CD2-CD1 4.29Å; Y434-I524 HydrophobicContact CE2-CD1 4.43Å; I445-I524 HydrophobicContact CD1-CB 4.5Å; I445-I524 HydrophobicContact CD1-CD1 4.14Å; I445-I524 HydrophobicContact CD1-CG2 3.87Å; V472-I524 HydrophobicContact CG1-CG2 3.68Å; S473-I524 WeakPolarHBondContact O-CA 3.28Å; T474-I524 HydrophobicContact CG2-CB 4.47Å; T474-I524 HydrophobicContact CG2-CG1 3.74Å; L505-I524 HydrophobicContact CD1-CD1 3.44Å; L505-I524 VanDerWaalsContact CD1-CD1 3.44Å; L505-I524 HydrophobicContact CD1-CG1 3.87Å; P522-I524 HydrophobicContact CB-CG1 4.39Å; P522-I524 HydrophobicContact CG-CD1 4.17Å; P522-I524 WeakPolarHBondContact O-CD1 3.4Å; P522-I524 WeakPolarHBondContact O-CG1 3.48Å; P522-I524 PolarHBondContact O-N 3.26Å; P522-I524 VanDerWaalsContact O-N 3.13Å; I524-I526 HydrophobicContact CG2-CG1 4.41Å; I524-T552 HydrophobicContact CB-CG2 3.78Å; I524-T552 HydrophobicContact CD1-CG2 4.12Å; I524-T552 PolarHBondContact N-OG1 3.41Å; I524-T552 PolarHBondContact O-N 3.28Å; I524-T552 PolarHBondContact O-OG1 3.44Å
525	H	90.2	Very high	74.1	Confident	90 Å²	90	54.8 Å²	54.8	42%	0.417	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127.3	170.7	-56.8	-47.5	0	0	0	108.6	S473 S551 E553	S473-H525 PolarHBondContact N-O 3.49Å; S473-H525 PolarHBondContact O-N 3.17Å; S473-H525 PolarHBondContact OG-O 2.88Å; S473-H525 VanDerWaalsContact OG-O 3.12Å; H525-S551 PolarHBondContact CE1-OG 2.9Å; H525-S551 VanDerWaalsContact CE1-OG 3.27Å; H525-S551 PolarHBondContact ND1-OG 2.97Å; H525-S551 VanDerWaalsContact ND1-OG 3.17Å; H525-E553 IonicContact CE1-OE2 3.62Å
526	I	91.1	Very high	75.4	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.01	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	129.7	173.1	-58.4	164.5	0	0	0	107	V432 I445 V447 V472 I524 L528 S549 M550	V432-I526 HydrophobicContact CB-CD1 4.37Å; V432-I526 HydrophobicContact CG1-CD1 3.77Å; V432-I526 HydrophobicContact CG2-CD1 3.58Å; I445-I526 HydrophobicContact CD1-CD1 4.01Å; I445-I526 HydrophobicContact CD1-CG1 4.47Å; V447-I526 HydrophobicContact CG1-CG2 4.43Å; V447-I526 HydrophobicContact CG2-CD1 3.77Å; V447-I526 HydrophobicContact CG2-CG1 4.32Å; V472-I526 HydrophobicContact CG2-CG1 4.49Å; I524-I526 HydrophobicContact CG2-CG1 4.41Å; I526-L528 HydrophobicContact CG2-CD2 3.96Å; I526-L528 HydrophobicContact CG2-CG 4.41Å; I526-S549 CarbonylContact O-C 3.56Å; I526-S549 WeakPolarHBondContact O-CA 3.19Å; I526-S549 WeakPolarHBondContact O-CB 3.31Å; I526-M550 HydrophobicContact CB-CG 3.93Å; I526-M550 HydrophobicContact CD1-CG 4.17Å; I526-M550 HydrophobicContact CD1-SD 4.11Å; I526-M550 HydrophobicContact CG1-CG 4.5Å; I526-M550 PolarHBondContact N-O 3.28Å; I526-M550 PolarHBondContact O-N 2.83Å
527	K	93.2	Very high	76.1	Confident	84 Å²	84	64.8 Å²	64.8	37%	0.365	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	123.9	178.2	-177	170.6	-175.1	168.2	0	110.5	T471	T471-K527 PolarHBondContact N-O 3.1Å; T471-K527 PolarHBondContact O-N 2.84Å
528	L	94	Very high	76.3	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	121.3	-179.4	-50.3	-176.1	0	0	0	109	M428 I430 L449 V468 Y469 C470 I526 S547 C548	M428-L528 HydrophobicContact CE-CB 4.09Å; M428-L528 HydrophobicContact CE-CD1 3.34Å; M428-L528 HydrophobicContact CE-CG 4.35Å; I430-L528 HydrophobicContact CD1-CD1 3.42Å; I430-L528 VanDerWaalsContact CD1-CD1 3.42Å; I430-L528 HydrophobicContact CG1-CD1 3.88Å; L449-L528 HydrophobicContact CD2-CD1 3.68Å; L449-L528 HydrophobicContact CD2-CD2 4.45Å; V468-L528 HydrophobicContact CG1-CB 4.07Å; Y469-L528 WeakPolarHBondContact O-CA 3.44Å; C470-L528 HydrophobicContact CB-CD2 3.48Å; C470-L528 VanDerWaalsContact CB-CD2 3.48Å; C470-L528 WeakPolarHBondContact SG-CD2 3.35Å; I526-L528 HydrophobicContact CG2-CD2 3.96Å; I526-L528 HydrophobicContact CG2-CG 4.41Å; L528-S547 WeakPolarHBondContact O-CA 3.31Å; L528-S547 WeakPolarHBondContact O-CB 3.41Å; L528-C548 PolarHBondContact N-O 2.65Å; L528-C548 PolarHBondContact O-N 2.97Å; L528-C548 VanDerWaalsContact O-N 3.07Å
529	K	93.5	Very high	76.8	Confident	53 Å²	53	63.3 Å²	63.3	23%	0.23	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	125.1	168.4	-68.1	-175.6	-179	-179	0	108.8	V468 Y469 F531 Y544 M740	V468-K529 WeakPolarHBondContact CA-O 3.3Å; Y469-K529 PolarHBondContact N-O 3.49Å; Y469-K529 PolarHBondContact O-N 3.27Å; K529-F531 HydrophobicContact CB-CD2 4.39Å; K529-F531 HydrophobicContact CB-CE2 3.75Å; K529-F531 HydrophobicContact CD-CE2 4.3Å; K529-Y544 HydrophobicContact CB-CE2 3.93Å; K529-Y544 HydrophobicContact CG-CE2 4.3Å; K529-M740 HydrophobicContact CD-SD 4.48Å; K529-M740 PolarHBondContact NZ-O 3.49Å
530	I	93.7	Very high	77.1	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	123.5	-175	-53.9	174.7	0	0	0	109.5	M428 L455 F466 V468 Y544 H545 G546 V570	M428-I530 HydrophobicContact CE-CD1 3.71Å; M428-I530 HydrophobicContact CE-CG1 4.12Å; M428-I530 HydrophobicContact SD-CD1 3.91Å; M428-I530 HydrophobicContact SD-CG1 4.44Å; L455-I530 HydrophobicContact CD1-CG2 4.31Å; F466-I530 HydrophobicContact CD1-CG2 3.8Å; F466-I530 HydrophobicContact CE1-CG2 4.46Å; V468-I530 HydrophobicContact CG2-CG1 4.4Å; V468-I530 HydrophobicContact CG2-CG2 4.5Å; I530-Y544 VanDerWaalsContact O-CD2 3.29Å; I530-Y544 WeakPolarHBondContact O-CD2 3.36Å; I530-H545 HydrophobicContact CB-CB 4.42Å; I530-H545 HydrophobicContact CG2-CB 4.13Å; I530-H545 PolarHBondContact O-N 2.82Å; I530-G546 PolarHBondContact N-O 3.21Å; I530-G546 PolarHBondContact O-N 3.04Å; I530-V570 HydrophobicContact CD1-CG1 3.9Å; I530-V570 HydrophobicContact CD1-CG2 3.72Å
531	F	90.8	Very high	77.8	Confident	28 Å²	28	62.6 Å²	62.6	12%	0.123	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	154	175	-65	-101.5	0	0	0	110.5	F466 C467 Y469 K529 E542 Y543 Y544 I742	F466-F531 CarbonylContact C-O 3.6Å; F466-F531 VanDerWaalsContact CA-O 3.29Å; F466-F531 WeakPolarHBondContact CA-O 3.35Å; C467-F531 HydrophobicContact CB-CB 4.27Å; C467-F531 PolarHBondContact N-O 2.92Å; C467-F531 PolarHBondContact O-N 2.85Å; Y469-F531 AromaticContact CD2-CD2 3.5Å; Y469-F531 HydrophobicContact CD2-CD2 3.5Å; Y469-F531 AromaticContact CD2-CE2 3.52Å; Y469-F531 HydrophobicContact CD2-CE2 3.52Å; Y469-F531 AromaticContact CE2-CD2 3.59Å; Y469-F531 HydrophobicContact CE2-CD2 3.59Å; Y469-F531 AromaticContact CE2-CE2 3.75Å; Y469-F531 HydrophobicContact CE2-CE2 3.75Å; Y469-F531 HydrophobicContact CE2-CG 4.3Å; K529-F531 HydrophobicContact CB-CD2 4.39Å; K529-F531 HydrophobicContact CB-CE2 3.75Å; K529-F531 HydrophobicContact CD-CE2 4.3Å; F531-E542 HydrophobicContact CB-CB 4.33Å; F531-E542 HydrophobicContact CD1-CB 4.19Å; F531-Y543 CarbonylContact C-O 3.56Å; F531-Y543 VanDerWaalsContact CA-O 3.28Å; F531-Y543 WeakPolarHBondContact CA-O 3.4Å; F531-Y544 AromaticContact CD1-CD2 3.94Å; F531-Y544 HydrophobicContact CD1-CD2 3.94Å; F531-Y544 HydrophobicContact CD1-CG 4.38Å; F531-Y544 HydrophobicContact CD2-CD2 4.05Å; F531-Y544 AromaticContact CE1-CD2 3.62Å; F531-Y544 HydrophobicContact CE1-CD2 3.62Å; F531-Y544 AromaticContact CE1-CG 3.99Å; F531-Y544 HydrophobicContact CE1-CG 3.99Å; F531-Y544 AromaticContact CE2-CD2 3.76Å; F531-Y544 HydrophobicContact CE2-CD2 3.76Å; F531-Y544 HydrophobicContact CE2-CE2 4.1Å; F531-Y544 HydrophobicContact CG-CD2 4.15Å; F531-Y544 AromaticContact CZ-CD2 3.53Å; F531-Y544 HydrophobicContact CZ-CD2 3.53Å; F531-Y544 HydrophobicContact CZ-CE2 4.12Å; F531-Y544 HydrophobicContact CZ-CG 4.24Å; F531-I742 HydrophobicContact CZ-CD1 4.39Å
532	E	89.2	Confident	78.8	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.9	177.7	-173	-171.9	-160.1	0	0	111.1	S457 P458 T464 I465 F466 E542 Y543	S457-E532 WeakPolarHBondContact CA-OE2 3.44Å; S457-E532 WeakPolarHBondContact CB-OE1 3.48Å; S457-E532 WeakPolarHBondContact CB-OE2 3.4Å; S457-E532 PolarHBondContact OG-OE1 3.05Å; S457-E532 PolarHBondContact OG-OE2 2.74Å; P458-E532 VanDerWaalsContact CD-OE2 3.23Å; P458-E532 WeakPolarHBondContact CD-OE2 3.13Å; T464-E532 WeakPolarHBondContact CB-OE1 3.43Å; T464-E532 HydrophobicContact CG2-CG 4.09Å; T464-E532 WeakPolarHBondContact CG2-OE1 3.33Å; T464-E532 PolarHBondContact OG1-OE1 3.01Å; I465-E532 WeakPolarHBondContact O-CA 3.34Å; F466-E532 HydrophobicContact CD1-CB 4.28Å; F466-E532 HydrophobicContact CE1-CB 4.03Å; F466-E532 HydrophobicContact CE1-CG 4.14Å; F466-E532 HydrophobicContact CE2-CG 4.16Å; F466-E532 HydrophobicContact CZ-CB 4.35Å; F466-E532 HydrophobicContact CZ-CG 3.94Å; E532-E542 WeakPolarHBondContact O-CA 3.39Å; E532-Y543 PolarHBondContact N-O 3.02Å; E532-Y543 PolarHBondContact O-N 2.91Å
533	S	86	Confident	79.7	Confident	25 Å²	25	64.6 Å²	64.6	18%	0.175	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	159.9	180	66.6	0	0	0	0	112.4	T464 I465	T464-S533 VanDerWaalsContact CA-O 3.32Å; T464-S533 WeakPolarHBondContact CA-O 3.44Å; T464-S533 VanDerWaalsContact CB-O 3.31Å; T464-S533 WeakPolarHBondContact CB-O 3.23Å; I465-S533 PolarHBondContact N-O 3.11Å; I465-S533 PolarHBondContact O-N 3.43Å; I465-S533 PolarHBondContact O-OG 2.88Å
534	I	82.7	Confident	80.2	Confident	21 Å²	21	60.7 Å²	60.7	11%	0.108	31%	0.312	C	S	.	.			trans	-98	118.9	171.8	-60.8	-171.4	0	0	0	108.8	H462 T464 K536 W537	H462-I534 HydrophobicContact CB-CD1 4.48Å; T464-I534 HydrophobicContact CG2-CG1 4.27Å; I534-K536 PolarHBondContact O-N 2.92Å; I534-W537 HydrophobicContact CG2-CG 4.47Å; I534-W537 PolarHBondContact O-N 2.87Å
535	P	74.1	Confident	80.4	Confident	56 Å²	56	61 Å²	61	36%	0.364	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-19.5	-170.6	18.6	-31.2	0	0	0	116	I465 E487	I465-P535 HydrophobicContact CD1-CB 3.78Å; I465-P535 HydrophobicContact CD1-CG 4.37Å; I465-P535 HydrophobicContact CG1-CB 4.22Å; I465-P535 HydrophobicContact CG1-CG 4.32Å; E487-P535 HydrophobicContact CG-CG 4.13Å; E487-P535 VanDerWaalsContact OE1-CG 3.31Å; E487-P535 WeakPolarHBondContact OE1-CG 3.01Å
536	K	68.6	Low	80.5	Confident	173 Å²	173	56.8 Å²	56.8	75%	0.752	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-0.2	-173.8	-60.4	-172.8	-179.3	-175.5	0	114.8	I534	I534-K536 PolarHBondContact O-N 2.92Å
537	W	59.2	Low	80.6	Confident	181 Å²	181	57 Å²	57	69%	0.686	30%	0.296	S	S	*	.			trans	-131.3	85.8	-171	-67.5	74.1	0	0	0	111.2	I534 G539 D540	I534-W537 HydrophobicContact CG2-CG 4.47Å; I534-W537 PolarHBondContact O-N 2.87Å; W537-G539 PolarHBondContact O-N 2.65Å; W537-D540 HydrophobicContact CB-CB 3.8Å; W537-D540 WeakPolarHBondContact O-CB 3.42Å; W537-D540 PolarHBondContact O-N 2.87Å
538	S	47.8	Very low	80.6	Confident	141 Å²	141	53.3 Å²	53.3	99%	0.986	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-4	-175	52.5	0	0	0	0	116.2
539	G	54.1	Low	80.4	Confident	76 Å²	76	56.4 Å²	56.4	78%	0.784	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	1.1	171.7	0	0	0	0	0	114.4	W537	W537-G539 PolarHBondContact O-N 2.65Å
540	D	59.6	Low	80.1	Confident	57 Å²	57	54.2 Å²	54.2	31%	0.305	29%	0.293	S	S	.	.	S	Bend	trans	-85.5	119.7	-176.5	-156.5	-18.5	0	0	0	109.9	R459 W537 E542	R459-D540 IonicContact CZ-OD1 2.85Å; R459-D540 IonicContact CZ-OD2 3.36Å; R459-D540 IonicContact NH1-OD1 2.76Å; R459-D540 PolarHBondContact NH1-OD1 2.87Å; R459-D540 IonicContact NH1-OD2 3.83Å; R459-D540 PolarHBondContact NH1-OD2 2.95Å; R459-D540 IonicContact NH2-OD1 2.8Å; R459-D540 PolarHBondContact NH2-OD1 2.83Å; R459-D540 IonicContact NH2-OD2 2.96Å; W537-D540 HydrophobicContact CB-CB 3.8Å; W537-D540 WeakPolarHBondContact O-CB 3.42Å; W537-D540 PolarHBondContact O-N 2.87Å; D540-E542 PolarHBondContact O-N 3.33Å
541	K	72.8	Confident	79.6	Confident	155 Å²	155	54.7 Å²	54.7	67%	0.674	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-63.2	132.3	-172.9	-73.6	-165.3	171.4	-161.9	0	111.3	R459 Y543	R459-K541 PolarHBondContact NH2-O 2.9Å; K541-Y543 PolarHBondContact O-N 2.93Å
542	E	82.9	Confident	78.9	Confident	80 Å²	80	53.7 Å²	53.7	37%	0.374	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-55.4	132.8	169.9	-58.4	-162.3	133.3	0	0	110.2	F531 E532 D540	F531-E542 HydrophobicContact CB-CB 4.33Å; F531-E542 HydrophobicContact CD1-CB 4.19Å; E532-E542 WeakPolarHBondContact O-CA 3.39Å; D540-E542 PolarHBondContact O-N 3.33Å
543	Y	86.8	Confident	78.1	Confident	42 Å²	42	58.5 Å²	58.5	17%	0.165	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	118.7	173.2	174.7	-107.4	0	0	0	108.7	P458 F531 E532 K541 H545 Y574 I745	P458-Y543 HydrophobicContact CG-CD1 3.62Å; P458-Y543 HydrophobicContact CG-CD2 4.01Å; P458-Y543 HydrophobicContact CG-CE1 3.78Å; P458-Y543 HydrophobicContact CG-CE2 4.15Å; P458-Y543 HydrophobicContact CG-CG 3.73Å; F531-Y543 CarbonylContact C-O 3.56Å; F531-Y543 VanDerWaalsContact CA-O 3.28Å; F531-Y543 WeakPolarHBondContact CA-O 3.4Å; E532-Y543 PolarHBondContact N-O 3.02Å; E532-Y543 PolarHBondContact O-N 2.91Å; K541-Y543 PolarHBondContact O-N 2.93Å; Y543-H545 HydrophobicContact CD1-CB 4.41Å; Y543-H545 HydrophobicContact CE1-CB 4.31Å; Y543-H545 AromaticContact CE1-ND1 3.89Å; Y543-H545 PolarHBondContact O-N 3.26Å; Y543-Y574 AromaticContact CE2-CD2 3.82Å; Y543-Y574 HydrophobicContact CE2-CD2 3.82Å; Y543-Y574 AromaticContact CE2-CE2 3.99Å; Y543-Y574 HydrophobicContact CE2-CE2 3.99Å; Y543-Y574 AromaticContact CZ-CD2 3.95Å; Y543-I745 HydrophobicContact CD2-CD1 4Å; Y543-I745 HydrophobicContact CE2-CD1 3.81Å
544	Y	89.8	Confident	77	Confident	9 Å²	9	60.8 Å²	60.8	4%	0.035	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	116.1	170.8	-177.7	-126.8	0	0	0	109.2	K529 I530 F531 G546 S547 A573 Y574 L737 M740 I742	K529-Y544 HydrophobicContact CB-CE2 3.93Å; K529-Y544 HydrophobicContact CG-CE2 4.3Å; I530-Y544 VanDerWaalsContact O-CD2 3.29Å; I530-Y544 WeakPolarHBondContact O-CD2 3.36Å; F531-Y544 AromaticContact CD1-CD2 3.94Å; F531-Y544 HydrophobicContact CD1-CD2 3.94Å; F531-Y544 HydrophobicContact CD1-CG 4.38Å; F531-Y544 HydrophobicContact CD2-CD2 4.05Å; F531-Y544 AromaticContact CE1-CD2 3.62Å; F531-Y544 HydrophobicContact CE1-CD2 3.62Å; F531-Y544 AromaticContact CE1-CG 3.99Å; F531-Y544 HydrophobicContact CE1-CG 3.99Å; F531-Y544 AromaticContact CE2-CD2 3.76Å; F531-Y544 HydrophobicContact CE2-CD2 3.76Å; F531-Y544 HydrophobicContact CE2-CE2 4.1Å; F531-Y544 HydrophobicContact CG-CD2 4.15Å; F531-Y544 AromaticContact CZ-CD2 3.53Å; F531-Y544 HydrophobicContact CZ-CD2 3.53Å; F531-Y544 HydrophobicContact CZ-CE2 4.12Å; F531-Y544 HydrophobicContact CZ-CG 4.24Å; Y544-G546 WeakPolarHBondContact CE2-O 3.44Å; Y544-G546 PolarHBondContact OH-O 3.06Å; Y544-S547 VanDerWaalsContact OH-CB 3.24Å; Y544-S547 WeakPolarHBondContact OH-CB 3.29Å; Y544-S547 PolarHBondContact OH-OG 2.96Å; Y544-A573 HydrophobicContact CD1-CB 3.25Å; Y544-A573 HydrophobicContact CE1-CB 3.54Å; Y544-A573 HydrophobicContact CG-CB 4.08Å; Y544-A573 WeakPolarHBondContact O-CB 2.93Å; Y544-Y574 VanDerWaalsContact O-CE2 3.29Å; Y544-Y574 WeakPolarHBondContact O-CE2 3.07Å; Y544-L737 HydrophobicContact CD1-CD2 3.96Å; Y544-L737 HydrophobicContact CE1-CD2 4.28Å; Y544-M740 PolarHBondContact OH-SD 3.28Å; Y544-I742 HydrophobicContact CD1-CD1 3.2Å; Y544-I742 HydrophobicContact CD1-CG2 4.5Å; Y544-I742 HydrophobicContact CD2-CD1 3.94Å; Y544-I742 HydrophobicContact CE1-CD1 3.45Å; Y544-I742 VanDerWaalsContact CE1-CD1 3.45Å; Y544-I742 HydrophobicContact CE2-CD1 4.14Å; Y544-I742 HydrophobicContact CG-CD1 3.48Å; Y544-I742 VanDerWaalsContact CG-CD1 3.48Å
545	H	89.2	Confident	76.1	Confident	8 Å²	8	61.2 Å²	61.2	4%	0.037	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-43.8	-175.4	-173.9	70	0	0	0	111.6	A425 L455 L456 I530 Y543 A573	A425-H545 PolarHBondContact O-NE2 2.84Å; L455-H545 VanDerWaalsContact C-CE1 3.47Å; L455-H545 WeakPolarHBondContact CA-NE2 3Å; L456-H545 PolarHBondContact N-CE1 3.31Å; I530-H545 HydrophobicContact CB-CB 4.42Å; I530-H545 HydrophobicContact CG2-CB 4.13Å; I530-H545 PolarHBondContact O-N 2.82Å; Y543-H545 HydrophobicContact CD1-CB 4.41Å; Y543-H545 HydrophobicContact CE1-CB 4.31Å; Y543-H545 AromaticContact CE1-ND1 3.89Å; Y543-H545 PolarHBondContact O-N 3.26Å; H545-A573 WeakPolarHBondContact O-CB 3.32Å; H545-A573 PolarHBondContact O-N 2.79Å; H545-A573 VanDerWaalsContact O-N 3.08Å
546	G	91.9	Very high	75.3	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.9	-172.9	-175.2	0	0	0	0	0	113.4	I530 Y544 E571	I530-G546 PolarHBondContact N-O 3.21Å; I530-G546 PolarHBondContact O-N 3.04Å; Y544-G546 WeakPolarHBondContact CE2-O 3.44Å; Y544-G546 PolarHBondContact OH-O 3.06Å; G546-E571 CarbonylContact C-O 3.45Å; G546-E571 WeakPolarHBondContact CA-O 3.32Å
547	S	93	Very high	74.6	Confident	7 Å²	7	63 Å²	63	5%	0.049	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	155.7	175.4	47.2	0	0	0	0	112.9	L528 Y544 E571	L528-S547 WeakPolarHBondContact O-CA 3.31Å; L528-S547 WeakPolarHBondContact O-CB 3.41Å; Y544-S547 VanDerWaalsContact OH-CB 3.24Å; Y544-S547 WeakPolarHBondContact OH-CB 3.29Å; Y544-S547 PolarHBondContact OH-OG 2.96Å; S547-E571 PolarHBondContact N-O 2.86Å; S547-E571 WeakPolarHBondContact O-CB 3.31Å; S547-E571 PolarHBondContact O-N 2.76Å
548	C	92.4	Very high	74.1	Confident	7 Å²	7	57.9 Å²	57.9	5%	0.047	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	157.4	163.7	57.5	0	0	0	0	109.9	L528 C568 L569	L528-C548 PolarHBondContact N-O 2.65Å; L528-C548 PolarHBondContact O-N 2.97Å; L528-C548 VanDerWaalsContact O-N 3.07Å; C548-C568 HydrophobicContact CB-CB 4.39Å; C548-L569 VanDerWaalsContact CB-O 3.24Å; C548-L569 WeakPolarHBondContact CB-O 3.21Å
549	S	90.1	Very high	74.2	Confident	66 Å²	66	58.9 Å²	58.9	46%	0.462	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	153.2	179.4	51.8	0	0	0	0	111.4	I526	I526-S549 CarbonylContact O-C 3.56Å; I526-S549 WeakPolarHBondContact O-CA 3.19Å; I526-S549 WeakPolarHBondContact O-CB 3.31Å
550	M	87.6	Confident	74.5	Confident	7 Å²	7	64.3 Å²	64.3	3%	0.034	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	148.2	177.4	61.9	-174.6	80.9	0	0	110.5	L346 I430 V432 I526 L555 C568	L346-M550 HydrophobicContact CD1-CB 4.24Å; I430-M550 HydrophobicContact CB-CE 4.21Å; I430-M550 HydrophobicContact CD1-CE 3.71Å; I430-M550 HydrophobicContact CG2-CE 3.89Å; V432-M550 HydrophobicContact CG2-SD 3.68Å; I526-M550 HydrophobicContact CB-CG 3.93Å; I526-M550 HydrophobicContact CD1-CG 4.17Å; I526-M550 HydrophobicContact CD1-SD 4.11Å; I526-M550 HydrophobicContact CG1-CG 4.5Å; I526-M550 PolarHBondContact N-O 3.28Å; I526-M550 PolarHBondContact O-N 2.83Å; M550-L555 HydrophobicContact SD-CD1 4.03Å; M550-C568 VanDerWaalsContact CE-SG 3.51Å
551	S	84.2	Confident	75	Confident	9 Å²	9	62.1 Å²	62.1	6%	0.063	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	142.9	168.2	-168.7	0	0	0	0	110	H525 E553 E554	H525-S551 PolarHBondContact CE1-OG 2.9Å; H525-S551 VanDerWaalsContact CE1-OG 3.27Å; H525-S551 PolarHBondContact ND1-OG 2.97Å; H525-S551 VanDerWaalsContact ND1-OG 3.17Å; S551-E553 PolarHBondContact O-N 3.41Å; S551-E553 PolarHBondContact OG-OE2 3.17Å; S551-E554 PolarHBondContact N-OE2 3.04Å; S551-E554 WeakPolarHBondContact O-CB 3.41Å; S551-E554 PolarHBondContact O-N 3.42Å
552	T	75.8	Confident	75.2	Confident	8 Å²	8	56.4 Å²	56.4	5%	0.049	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-64.3	-21.1	172.7	50.9	0	0	0	0	113.1	P522 I524 E554 L555 S556 F562	P522-T552 PolarHBondContact O-OG1 3.27Å; I524-T552 HydrophobicContact CB-CG2 3.78Å; I524-T552 HydrophobicContact CD1-CG2 4.12Å; I524-T552 PolarHBondContact N-OG1 3.41Å; I524-T552 PolarHBondContact O-N 3.28Å; I524-T552 PolarHBondContact O-OG1 3.44Å; T552-E554 PolarHBondContact O-N 3.05Å; T552-L555 PolarHBondContact O-N 3.28Å; T552-S556 PolarHBondContact O-N 2.97Å; T552-S556 VanDerWaalsContact O-N 3.08Å; T552-S556 PolarHBondContact O-OG 3.33Å; T552-F562 HydrophobicContact CG2-CE1 4.34Å; T552-F562 HydrophobicContact CG2-CE2 4.48Å; T552-F562 HydrophobicContact CG2-CZ 3.6Å
553	E	72	Confident	75.1	Confident	100 Å²	100	54.8 Å²	54.8	47%	0.467	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-59.3	-29.9	168.4	-59.7	167.8	117	0	0	113	K523 H525 S551 L555	K523-E553 HydrophobicContact CD-CG 4.28Å; K523-E553 VanDerWaalsContact CD-OE1 3.3Å; K523-E553 WeakPolarHBondContact CD-OE1 3.32Å; K523-E553 VanDerWaalsContact CE-OE1 3.26Å; K523-E553 WeakPolarHBondContact CE-OE1 3.3Å; K523-E553 HydrophobicContact CG-CG 4.18Å; K523-E553 IonicContact NZ-OE1 2.85Å; K523-E553 PolarHBondContact NZ-OE1 3.09Å; H525-E553 IonicContact CE1-OE2 3.62Å; S551-E553 PolarHBondContact O-N 3.41Å; S551-E553 PolarHBondContact OG-OE2 3.17Å; E553-L555 VanDerWaalsContact C-N 3.27Å
554	E	63.4	Low	74.8	Confident	73 Å²	73	53.4 Å²	53.4	34%	0.341	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-82.6	-6.3	177.8	-59.9	165	144.3	0	0	111.8	N344 L346 S551 T552	N344-E554 PolarHBondContact ND2-OE1 3.39Å; L346-E554 HydrophobicContact CD1-CB 4.23Å; L346-E554 WeakPolarHBondContact CD1-OE2 3.42Å; S551-E554 PolarHBondContact N-OE2 3.04Å; S551-E554 WeakPolarHBondContact O-CB 3.41Å; S551-E554 PolarHBondContact O-N 3.42Å; T552-E554 PolarHBondContact O-N 3.05Å
555	L	62.4	Low	74.5	Confident	30 Å²	30	54.1 Å²	54.1	16%	0.157	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-29.9	-170.7	-58.3	-179.7	0	0	0	114.4	M550 T552 E553 F562 H564	M550-L555 HydrophobicContact SD-CD1 4.03Å; T552-L555 PolarHBondContact O-N 3.28Å; E553-L555 VanDerWaalsContact C-N 3.27Å; L555-F562 HydrophobicContact CB-CE2 4.35Å; L555-F562 HydrophobicContact CD1-CE2 4.23Å; L555-H564 HydrophobicContact CD1-CB 4.38Å; L555-H564 HydrophobicContact CD2-CB 4.33Å
556	S	58.7	Low	74.2	Confident	50 Å²	50	53.8 Å²	53.8	35%	0.35	27%	0.273	S	S	.	.			trans	-93.7	125.6	-170.1	61.3	0	0	0	0	114.3	T552	T552-S556 PolarHBondContact O-N 2.97Å; T552-S556 VanDerWaalsContact O-N 3.08Å; T552-S556 PolarHBondContact O-OG 3.33Å
557	K	52.7	Low	73.9	Confident	218 Å²	218	54.5 Å²	54.5	95%	0.948	28%	0.276	S	S	*	.	S	Bend	trans	-116	3.1	163.5	-83.4	-168.9	173.8	-175.3	0	114.2
558	S	48.2	Very low	73.6	Confident	72 Å²	72	54.4 Å²	54.4	50%	0.503	28%	0.275	S	S	.	.			trans	-141.5	136.3	-174	50.2	0	0	0	0	111.4	G561	S558-G561 PolarHBondContact OG-O 3.48Å
559	Q	51.2	Low	73.5	Confident	163 Å²	163	56.1 Å²	56.1	76%	0.762	28%	0.284	S	S	*	.	S	Bend	trans	-76.2	-25	-174.3	-69.8	171.3	-49.8	0	0	114.3	G561	Q559-G561 PolarHBondContact O-N 2.98Å
560	K	59.5	Low	73.6	Confident	190 Å²	190	53 Å²	53	83%	0.826	26%	0.262	S	S	*	.	S	Bend	trans	-97.6	77.7	-179	-74.6	-170	173.5	-174.2	0	112
561	G	69.7	Low	73.7	Confident	11 Å²	11	56.3 Å²	56.3	11%	0.113	28%	0.277	C	S	.	.			trans	72.7	166.5	176.8	0	0	0	0	0	114.2	Y434 S558 Q559	Y434-G561 WeakPolarHBondContact O-CA 3.5Å; S558-G561 PolarHBondContact OG-O 3.48Å; Q559-G561 PolarHBondContact O-N 2.98Å
562	F	77.7	Confident	74	Confident	34 Å²	34	56.4 Å²	56.4	15%	0.149	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	155.6	169	65.6	-93.2	0	0	0	111.9	V432 K433 Y434 T552 L555	V432-F562 HydrophobicContact CG1-CE2 3.96Å; V432-F562 HydrophobicContact CG1-CZ 4.48Å; K433-F562 WeakPolarHBondContact CA-O 3.42Å; Y434-F562 AromaticContact CD1-CD1 3.93Å; Y434-F562 HydrophobicContact CD1-CD1 3.93Å; Y434-F562 AromaticContact CD1-CE1 3.81Å; Y434-F562 HydrophobicContact CD1-CE1 3.81Å; Y434-F562 HydrophobicContact CG-CD1 4.18Å; Y434-F562 AromaticContact CG-CE1 3.72Å; Y434-F562 HydrophobicContact CG-CE1 3.72Å; Y434-F562 HydrophobicContact CG-CZ 4.27Å; Y434-F562 PolarHBondContact N-O 2.95Å; Y434-F562 PolarHBondContact O-N 2.66Å; T552-F562 HydrophobicContact CG2-CE1 4.34Å; T552-F562 HydrophobicContact CG2-CE2 4.48Å; T552-F562 HydrophobicContact CG2-CZ 3.6Å; L555-F562 HydrophobicContact CB-CE2 4.35Å; L555-F562 HydrophobicContact CD1-CE2 4.23Å
563	E	80.3	Confident	74.7	Confident	47 Å²	47	56.4 Å²	56.4	22%	0.22	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	121.1	166.1	177.2	171.3	-176.9	0	0	108.8	K410 V432 K433	K410-E563 IonicContact NZ-OE1 3.6Å; K410-E563 PolarHBondContact NZ-OE1 2.76Å; K410-E563 IonicContact NZ-OE2 3.61Å; K410-E563 PolarHBondContact NZ-OE2 3.07Å; V432-E563 CarbonylContact O-C 3.48Å; V432-E563 WeakPolarHBondContact O-CA 3.39Å; K433-E563 HydrophobicContact CD-CG 4.11Å; K433-E563 VanDerWaalsContact CE-OE1 3.27Å; K433-E563 WeakPolarHBondContact CE-OE1 3.45Å; K433-E563 HydrophobicContact CG-CG 4.02Å; K433-E563 IonicContact NZ-OE1 3.29Å; K433-E563 PolarHBondContact NZ-OE1 3.19Å; K433-E563 IonicContact NZ-OE2 2.76Å
564	H	81.7	Confident	75.5	Confident	13 Å²	13	52.1 Å²	52.1	6%	0.06	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	135.5	172.3	-177.6	75.3	0	0	0	109.4	G431 V432 L555	G431-H564 CarbonylContact C-O 3.59Å; G431-H564 WeakPolarHBondContact CA-O 3.29Å; V432-H564 PolarHBondContact N-O 3.11Å; V432-H564 PolarHBondContact O-N 2.84Å; L555-H564 HydrophobicContact CD1-CB 4.38Å; L555-H564 HydrophobicContact CD2-CB 4.33Å
565	I	82.2	Confident	76.7	Confident	23 Å²	23	49 Å²	49	12%	0.118	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	127	164.7	-59	177.7	0	0	0	106.4	K410 L412 Y450	K410-I565 HydrophobicContact CB-CD1 4.13Å; K410-I565 HydrophobicContact CD-CD1 3.71Å; L412-I565 HydrophobicContact CD2-CG2 4.02Å; Y450-I565 HydrophobicContact CD2-CG2 4.46Å; Y450-I565 HydrophobicContact CE2-CD1 4.49Å; Y450-I565 HydrophobicContact CE2-CG1 4.42Å; Y450-I565 HydrophobicContact CE2-CG2 3.89Å
566	G	83.3	Confident	78	Confident	2 Å²	2	48.8 Å²	48.8	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	172.8	-172.7	0	0	0	0	0	113.3	A429 I430	A429-G566 WeakPolarHBondContact CA-O 3.38Å; I430-G566 PolarHBondContact N-O 3.43Å; I430-G566 PolarHBondContact O-N 3.27Å
567	W	85.1	Confident	79.5	Confident	14 Å²	14	46.8 Å²	46.8	5%	0.053	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	128.9	168.6	-66.6	91.8	0	0	0	109	L412 P413 V415 I416 I427 M428 A429 T451 K453	L412-W567 HydrophobicContact CD1-CZ2 4.41Å; P413-W567 PolarHBondContact O-NE1 2.83Å; V415-W567 HydrophobicContact CG1-CZ2 4.48Å; V415-W567 HydrophobicContact CG2-CH2 4.42Å; V415-W567 HydrophobicContact CG2-CZ2 3.8Å; I416-W567 HydrophobicContact CD1-CB 3.8Å; I416-W567 HydrophobicContact CG1-CB 3.99Å; I416-W567 HydrophobicContact CG1-CG 4.38Å; I427-W567 HydrophobicContact CB-CE3 4.08Å; I427-W567 HydrophobicContact CD1-CD2 4.09Å; I427-W567 HydrophobicContact CD1-CE3 3.63Å; I427-W567 HydrophobicContact CD1-CZ3 4.05Å; I427-W567 HydrophobicContact CG1-CE3 3.78Å; I427-W567 HydrophobicContact CG1-CZ3 4.09Å; M428-W567 WeakPolarHBondContact O-CA 3.22Å; A429-W567 HydrophobicContact CB-CD2 3.9Å; A429-W567 HydrophobicContact CB-CE3 3.74Å; A429-W567 HydrophobicContact CB-CH2 3.92Å; A429-W567 HydrophobicContact CB-CZ2 4.05Å; A429-W567 HydrophobicContact CB-CZ3 3.76Å; T451-W567 HydrophobicContact CG2-CH2 3.62Å; T451-W567 HydrophobicContact CG2-CZ2 4.38Å; T451-W567 HydrophobicContact CG2-CZ3 4.17Å; K453-W567 HydrophobicContact CB-CZ3 4.31Å; K453-W567 HydrophobicContact CD-CH2 4.13Å; K453-W567 HydrophobicContact CG-CH2 4.13Å; K453-W567 HydrophobicContact CG-CZ3 4.25Å
568	C	88.4	Confident	81.2	Confident	6 Å²	6	37.5 Å²	37.5	4%	0.041	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	140.8	172.8	-61.8	0	0	0	0	110.4	I427 M428 I430 C548 M550	I427-C568 VanDerWaalsContact CA-O 3.29Å; I427-C568 WeakPolarHBondContact CA-O 3.25Å; M428-C568 PolarHBondContact N-O 3Å; M428-C568 PolarHBondContact O-N 3.09Å; I430-C568 HydrophobicContact CD1-CB 3.9Å; C548-C568 HydrophobicContact CB-CB 4.39Å; M550-C568 VanDerWaalsContact CE-SG 3.51Å
569	L	89.6	Confident	83.2	Confident	42 Å²	42	34.1 Å²	34.1	22%	0.22	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	138.1	170.3	-66.5	162.2	0	0	0	109.4	Y418 F423 I427 C548	Y418-L569 HydrophobicContact CD2-CD2 4.04Å; Y418-L569 HydrophobicContact CG-CD2 4.1Å; F423-L569 HydrophobicContact CB-CD2 3.93Å; F423-L569 HydrophobicContact CD1-CB 4.39Å; F423-L569 HydrophobicContact CD1-CD1 4.17Å; F423-L569 HydrophobicContact CD1-CD2 4.36Å; F423-L569 HydrophobicContact CD2-CD1 4.2Å; F423-L569 HydrophobicContact CD2-CD2 4.05Å; F423-L569 HydrophobicContact CE1-CD1 4.05Å; F423-L569 HydrophobicContact CE2-CD1 4.08Å; F423-L569 HydrophobicContact CG-CD1 4.24Å; F423-L569 HydrophobicContact CG-CD2 3.85Å; F423-L569 HydrophobicContact CG-CG 4.49Å; F423-L569 HydrophobicContact CZ-CD1 4Å; I427-L569 HydrophobicContact CG2-CD2 3.79Å; C548-L569 VanDerWaalsContact CB-O 3.24Å; C548-L569 WeakPolarHBondContact CB-O 3.21Å
570	V	91.6	Very high	84.9	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-94.4	125.2	173.2	-177.8	0	0	0	0	108.6	A425 G426 M428 L455 I530	A425-V570 HydrophobicContact CB-CB 4.06Å; A425-V570 HydrophobicContact CB-CG1 3.84Å; G426-V570 PolarHBondContact O-N 2.76Å; M428-V570 HydrophobicContact CB-CG2 4.39Å; L455-V570 HydrophobicContact CD2-CG2 4.02Å; I530-V570 HydrophobicContact CD1-CG1 3.9Å; I530-V570 HydrophobicContact CD1-CG2 3.72Å
571	E	90.5	Very high	86.3	Confident	77 Å²	77	18.1 Å²	18.1	36%	0.36	10%	0.096	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	126.2	167.1	-59.9	-160.5	124.7	0	0	109.7	G546 S547 R613	G546-E571 CarbonylContact C-O 3.45Å; G546-E571 WeakPolarHBondContact CA-O 3.32Å; S547-E571 PolarHBondContact N-O 2.86Å; S547-E571 WeakPolarHBondContact O-CB 3.31Å; S547-E571 PolarHBondContact O-N 2.76Å; E571-R613 IonicContact OE1-CZ 2.74Å; E571-R613 IonicContact OE1-NH1 3.67Å; E571-R613 PolarHBondContact OE1-NH1 2.99Å; E571-R613 IonicContact OE2-NH1 2.97Å
572	E	90.1	Very high	87.2	Confident	12 Å²	12	19.6 Å²	19.6	6%	0.056	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	139.2	177.3	66	-76.4	178	0	0	113.1	P424 A425 Y574 G612 R613 W614	P424-E572 WeakPolarHBondContact CD-OE2 3.46Å; P424-E572 HydrophobicContact CG-CB 4.49Å; P424-E572 HydrophobicContact CG-CG 4.13Å; A425-E572 HydrophobicContact CB-CB 3.63Å; E572-Y574 VanDerWaalsContact C-N 3.35Å; E572-Y574 WeakPolarHBondContact CG-O 3.44Å; E572-G612 VanDerWaalsContact OE1-CA 3.3Å; E572-G612 WeakPolarHBondContact OE1-CA 3.36Å; E572-R613 WeakPolarHBondContact OE1-CB 3.35Å; E572-R613 PolarHBondContact OE1-N 3.02Å; E572-W614 PolarHBondContact O-NE1 2.87Å
573	A	90.3	Very high	87.7	Confident	7 Å²	7	18 Å²	18	6%	0.058	10%	0.095	C	C	.	.	S	Bend	trans	-74.2	-23.8	177	0	0	0	0	0	114.1	Y544 H545 C733 L737	Y544-A573 HydrophobicContact CD1-CB 3.25Å; Y544-A573 HydrophobicContact CE1-CB 3.54Å; Y544-A573 HydrophobicContact CG-CB 4.08Å; Y544-A573 WeakPolarHBondContact O-CB 2.93Å; H545-A573 WeakPolarHBondContact O-CB 3.32Å; H545-A573 PolarHBondContact O-N 2.79Å; H545-A573 VanDerWaalsContact O-N 3.08Å; A573-C733 PolarHBondContact O-SG 3.01Å; A573-L737 HydrophobicContact CB-CD2 4.47Å
574	Y	89.5	Confident	88.2	Confident	11 Å²	11	17.3 Å²	17.3	4%	0.043	9%	0.093	C	C	.	.	S	Bend	trans	-144.8	159.7	-169.8	-61.7	-77.1	0	0	0	110.5	Y543 Y544 E572 A576 L737 I745 L748	Y543-Y574 AromaticContact CE2-CD2 3.82Å; Y543-Y574 HydrophobicContact CE2-CD2 3.82Å; Y543-Y574 AromaticContact CE2-CE2 3.99Å; Y543-Y574 HydrophobicContact CE2-CE2 3.99Å; Y543-Y574 AromaticContact CZ-CD2 3.95Å; Y544-Y574 VanDerWaalsContact O-CE2 3.29Å; Y544-Y574 WeakPolarHBondContact O-CE2 3.07Å; E572-Y574 VanDerWaalsContact C-N 3.35Å; E572-Y574 WeakPolarHBondContact CG-O 3.44Å; Y574-A576 PolarHBondContact O-N 3.21Å; Y574-L737 HydrophobicContact CD1-CD1 3.88Å; Y574-L737 HydrophobicContact CE1-CD1 3.34Å; Y574-L737 HydrophobicContact CE1-CD2 3.99Å; Y574-L737 HydrophobicContact CE1-CG 4.31Å; Y574-L737 HydrophobicContact CE2-CD2 4.4Å; Y574-I745 HydrophobicContact CD1-CD1 4.2Å; Y574-I745 HydrophobicContact CD2-CD1 4.03Å; Y574-I745 HydrophobicContact CE1-CB 4.5Å; Y574-I745 HydrophobicContact CE1-CD1 3.65Å; Y574-I745 HydrophobicContact CE1-CG1 3.75Å; Y574-I745 HydrophobicContact CE2-CD1 3.48Å; Y574-I745 VanDerWaalsContact CE2-CD1 3.48Å; Y574-I745 HydrophobicContact CE2-CG1 4.33Å; Y574-I745 HydrophobicContact CG-CD1 4.38Å; Y574-L748 HydrophobicContact CD1-CD2 4.47Å
575	P	89.2	Confident	88.6	Confident	7 Å²	7	16.7 Å²	16.7	5%	0.045	9%	0.09	C	C	.	.			trans	-54	121.9	172.2	-24.8	33.7	0	0	0	111.9	I577 W614 I616 L748	P575-I577 PolarHBondContact O-N 3.36Å; P575-W614 HydrophobicContact CB-CB 4.4Å; P575-W614 VanDerWaalsContact CB-O 3.25Å; P575-W614 WeakPolarHBondContact CB-O 3.32Å; P575-W614 HydrophobicContact CG-CB 4.01Å; P575-W614 VanDerWaalsContact CG-O 3.32Å; P575-W614 WeakPolarHBondContact CG-O 3.25Å; P575-I616 HydrophobicContact CB-CD1 4.11Å; P575-I616 HydrophobicContact CB-CG1 4.08Å; P575-I616 HydrophobicContact CG-CD1 4.09Å; P575-I616 HydrophobicContact CG-CG1 4.14Å; P575-L748 HydrophobicContact CB-CD1 4.13Å; P575-L748 HydrophobicContact CG-CD1 3.95Å
576	A	88.8	Confident	89.1	Confident	25 Å²	25	15.6 Å²	15.6	21%	0.207	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	122.7	174.4	0	0	0	0	0	109.3	P424 Y574 S610 Y611	P424-A576 HydrophobicContact CB-CB 3.48Å; P424-A576 VanDerWaalsContact CB-CB 3.48Å; P424-A576 HydrophobicContact CG-CB 3.45Å; P424-A576 VanDerWaalsContact CG-CB 3.45Å; Y574-A576 PolarHBondContact O-N 3.21Å; A576-S610 WeakPolarHBondContact O-CA 3.23Å; A576-S610 PolarHBondContact O-OG 3.27Å; A576-Y611 PolarHBondContact O-N 3.26Å
577	I	90.3	Very high	89.5	Confident	8 Å²	8	15.5 Å²	15.5	4%	0.041	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	123.4	-178.1	-55.2	174.4	0	0	0	109.9	P575 F608 L609 L619 L723 I725 L748 A750 I751	P575-I577 PolarHBondContact O-N 3.36Å; I577-F608 HydrophobicContact CG2-CB 4.49Å; I577-F608 HydrophobicContact CG2-CD1 4.36Å; I577-L609 CarbonylContact C-O 3.49Å; I577-L609 WeakPolarHBondContact CA-O 3.36Å; I577-L619 HydrophobicContact CD1-CD2 4.03Å; I577-L619 HydrophobicContact CG1-CD2 4.12Å; I577-L619 HydrophobicContact CG2-CD2 3.71Å; I577-L723 HydrophobicContact CD1-CD1 4.05Å; I577-L723 HydrophobicContact CG2-CD1 4.26Å; I577-I725 HydrophobicContact CD1-CD1 3.87Å; I577-L748 HydrophobicContact CD1-CB 4.08Å; I577-L748 HydrophobicContact CD1-CD1 3.96Å; I577-A750 HydrophobicContact CB-CB 4.11Å; I577-A750 HydrophobicContact CG2-CB 3.56Å; I577-A750 WeakPolarHBondContact O-CA 3.03Å; I577-I751 PolarHBondContact O-N 3.09Å
578	R	89	Confident	89.8	Confident	24 Å²	24	15.6 Å²	15.6	9%	0.091	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	157.6	174.9	-75.2	-61.7	-164.4	137.3	-14.2	112.2	W420 F608 L609 Y611 I751 E753 E802	W420-R578 HydrophobicContact CZ3-CG 4.38Å; R578-F608 WeakPolarHBondContact O-CA 3.43Å; R578-L609 PolarHBondContact N-O 3.36Å; R578-L609 PolarHBondContact O-N 2.97Å; R578-Y611 HydrophobicContact CB-CD2 4.22Å; R578-Y611 HydrophobicContact CB-CE2 3.92Å; R578-Y611 HydrophobicContact CG-CD2 4Å; R578-Y611 HydrophobicContact CG-CE2 3.98Å; R578-I751 CarbonylContact C-O 3.49Å; R578-I751 WeakPolarHBondContact CA-O 3.47Å; R578-I751 WeakPolarHBondContact CD-O 3.34Å; R578-E753 IonicContact CZ-OE1 2.65Å; R578-E753 VanDerWaalsContact CZ-OE1 3.29Å; R578-E753 IonicContact NH1-OE1 2.71Å; R578-E753 PolarHBondContact NH1-OE1 3.3Å; R578-E753 IonicContact NH2-OE1 3.28Å; R578-E753 PolarHBondContact NH2-OE1 2.86Å; R578-E802 PolarHBondContact NH1-O 2.96Å; R578-E802 PolarHBondContact NH1-OXT 3.43Å
579	L	88.4	Confident	89.7	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120.3	173.3	-57.4	176	0	0	0	109.5	Q607 F608 M630 I719 A750 I751 I801 E802	L579-Q607 WeakPolarHBondContact CA-O 3.35Å; L579-F608 HydrophobicContact CD2-CD1 3.31Å; L579-F608 HydrophobicContact CD2-CE1 3.23Å; L579-F608 HydrophobicContact CD2-CG 4.13Å; L579-F608 HydrophobicContact CD2-CZ 4Å; L579-M630 HydrophobicContact CD1-CE 4.19Å; L579-I719 HydrophobicContact CD1-CB 4.09Å; L579-I719 HydrophobicContact CD1-CG2 3.6Å; L579-I719 WeakPolarHBondContact CD1-O 3.47Å; L579-A750 HydrophobicContact CD2-CB 3.71Å; L579-A750 HydrophobicContact CG-CB 4.05Å; L579-I751 PolarHBondContact N-O 3.01Å; L579-I801 HydrophobicContact CB-CG2 4.4Å; L579-I801 WeakPolarHBondContact O-CG2 3.46Å; L579-E802 CarbonylContact O-C 3.56Å
580	S	88.8	Confident	89.3	Confident	14 Å²	14	15.5 Å²	15.5	10%	0.098	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	145.4	167.4	168.4	0	0	0	0	109.6	L606 Q607 I801	S580-L606 CarbonylContact O-C 3.54Å; S580-L606 WeakPolarHBondContact O-CA 3.3Å; S580-Q607 PolarHBondContact N-O 3.3Å; S580-Q607 PolarHBondContact O-N 3.07Å; S580-I801 WeakPolarHBondContact CA-O 3.16Å
581	G	88.5	Confident	88.5	Confident	3 Å²	3	19.7 Å²	19.7	3%	0.031	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.5	-178.7	173.9	0	0	0	0	0	113.9	I801	G581-I801 PolarHBondContact N-O 3.16Å; G581-I801 PolarHBondContact O-N 2.85Å
582	D	87.5	Confident	87.6	Confident	42 Å²	42	20.2 Å²	20.2	23%	0.225	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	144.9	172.7	-54.1	-38.5	0	0	0	110.5	I603 R604 N605 W798	D582-I603 CarbonylContact O-C 3.53Å; D582-I603 WeakPolarHBondContact O-CA 3.36Å; D582-R604 HydrophobicContact CB-CG 3.77Å; D582-R604 PolarHBondContact N-O 3.43Å; D582-R604 PolarHBondContact O-N 3.29Å; D582-R604 IonicContact OD2-CZ 2.95Å; D582-R604 IonicContact OD2-NE 3.17Å; D582-R604 PolarHBondContact OD2-NE 3.29Å; D582-R604 IonicContact OD2-NH2 3.88Å; D582-R604 PolarHBondContact OD2-NH2 3.46Å; D582-N605 PolarHBondContact OD2-ND2 3.11Å; D582-W798 HydrophobicContact CB-CE3 3.65Å; D582-W798 HydrophobicContact CB-CZ3 3.8Å
583	M	88.5	Confident	86.9	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	123.4	178.2	-177.9	171.6	46.7	0	0	111.4	V585 I600 E602 I603 I717 I719 C754 W798 L799 I801	M583-V585 HydrophobicContact CB-CG2 4.44Å; M583-V585 HydrophobicContact CE-CG2 3.83Å; M583-V585 HydrophobicContact CG-CG2 3.72Å; M583-V585 PolarHBondContact O-N 2.89Å; M583-V585 HydrophobicContact SD-CG2 4.05Å; M583-I600 HydrophobicContact CG-CG2 3.54Å; M583-I600 HydrophobicContact SD-CD1 3.87Å; M583-I600 HydrophobicContact SD-CG1 4.14Å; M583-I600 HydrophobicContact SD-CG2 3.66Å; M583-E602 CarbonylContact C-O 3.58Å; M583-E602 WeakPolarHBondContact CA-O 3.31Å; M583-I603 HydrophobicContact CB-CG1 4.38Å; M583-I603 HydrophobicContact CG-CG1 3.97Å; M583-I603 HydrophobicContact SD-CG1 4.35Å; M583-I717 HydrophobicContact CE-CB 4.06Å; M583-I717 HydrophobicContact CE-CD1 3.7Å; M583-I717 HydrophobicContact CE-CG1 4.49Å; M583-I717 HydrophobicContact CE-CG2 3.93Å; M583-I717 HydrophobicContact SD-CD1 4.2Å; M583-I717 HydrophobicContact SD-CG2 4.1Å; M583-I719 HydrophobicContact SD-CD1 4.17Å; M583-C754 HydrophobicContact CE-CB 3.65Å; M583-W798 VanDerWaalsContact C-CE3 3.41Å; M583-L799 PolarHBondContact N-O 3Å; M583-L799 PolarHBondContact O-N 2.9Å; M583-I801 HydrophobicContact CB-CD1 4.09Å; M583-I801 HydrophobicContact CB-CG1 4.04Å; M583-I801 HydrophobicContact CE-CG1 4.3Å
584	L	90.5	Very high	86.5	Confident	34 Å²	34	27.6 Å²	27.6	18%	0.178	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	97	175.4	-178.9	55.1	0	0	0	109.6	H601 E602 W798	L584-H601 HydrophobicContact CB-CB 4.49Å; L584-H601 HydrophobicContact CD2-CB 4.14Å; L584-H601 HydrophobicContact CG-CB 4.19Å; L584-H601 PolarHBondContact O-N 2.82Å; L584-E602 HydrophobicContact CB-CB 3.95Å; L584-E602 PolarHBondContact N-O 2.68Å; L584-W798 HydrophobicContact CB-CD2 4.01Å; L584-W798 HydrophobicContact CB-CE3 3.89Å; L584-W798 HydrophobicContact CB-CH2 3.75Å; L584-W798 HydrophobicContact CB-CZ2 3.84Å; L584-W798 HydrophobicContact CB-CZ3 3.76Å; L584-W798 HydrophobicContact CD1-CD2 4.28Å; L584-W798 HydrophobicContact CD1-CG 4.36Å; L584-W798 HydrophobicContact CD2-CZ2 4.14Å; L584-W798 HydrophobicContact CG-CZ2 4.43Å; L584-W798 VanDerWaalsContact N-CZ3 3.33Å
585	V	91	Very high	86.3	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	146.4	177.8	-173	0	0	0	0	109.6	M583 I598 I717 F756 F783 Y796 Q797 L799	M583-V585 HydrophobicContact CB-CG2 4.44Å; M583-V585 HydrophobicContact CE-CG2 3.83Å; M583-V585 HydrophobicContact CG-CG2 3.72Å; M583-V585 PolarHBondContact O-N 2.89Å; M583-V585 HydrophobicContact SD-CG2 4.05Å; V585-I598 HydrophobicContact CG1-CG2 3.95Å; V585-I717 HydrophobicContact CG1-CD1 4.2Å; V585-I717 HydrophobicContact CG2-CD1 3.87Å; V585-F756 HydrophobicContact CG1-CE1 4.36Å; V585-F756 HydrophobicContact CG1-CZ 4.22Å; V585-F783 HydrophobicContact CB-CE1 4.24Å; V585-F783 HydrophobicContact CB-CZ 4.18Å; V585-F783 HydrophobicContact CG1-CE1 3.91Å; V585-F783 HydrophobicContact CG1-CZ 4.05Å; V585-Y796 WeakPolarHBondContact O-CA 3.28Å; V585-Q797 PolarHBondContact N-O 3.09Å; V585-Q797 PolarHBondContact O-N 2.98Å; V585-L799 HydrophobicContact CB-CD1 4.02Å; V585-L799 HydrophobicContact CB-CG 4.49Å; V585-L799 HydrophobicContact CG2-CD1 3.92Å; V585-L799 HydrophobicContact CG2-CG 4.36Å
586	S	91.6	Very high	86.3	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	145.1	164.6	71.1	0	0	0	0	111.9	I598 R599 H601 R794 I795	S586-I598 CarbonylContact O-C 3.55Å; S586-I598 VanDerWaalsContact O-CA 3.3Å; S586-I598 WeakPolarHBondContact O-CA 3.29Å; S586-R599 PolarHBondContact N-O 3.49Å; S586-R599 PolarHBondContact O-N 3.44Å; S586-R599 PolarHBondContact OG-O 2.85Å; S586-H601 WeakPolarHBondContact CB-NE2 3.38Å; S586-H601 PolarHBondContact OG-NE2 3.47Å; S586-R794 PolarHBondContact OG-NH1 3.28Å; S586-I795 CarbonylContact C-O 3.55Å; S586-I795 WeakPolarHBondContact CA-O 3.46Å; S586-I795 VanDerWaalsContact CB-O 3.23Å; S586-I795 WeakPolarHBondContact CB-O 3.16Å
587	I	92.4	Very high	86.4	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	143.4	-177	-172.1	171.5	0	0	0	110.7	V596 N597 I598 F756 F783 W784 A787 R794 I795	I587-V596 HydrophobicContact CD1-CG1 4.07Å; I587-V596 HydrophobicContact CG1-CG1 4.05Å; I587-N597 CarbonylContact C-O 3.57Å; I587-N597 WeakPolarHBondContact CA-O 3.39Å; I587-I598 HydrophobicContact CG1-CG1 4.22Å; I587-F756 HydrophobicContact CD1-CD2 4.47Å; I587-F756 HydrophobicContact CD1-CE2 4.13Å; I587-F783 HydrophobicContact CB-CE1 4.02Å; I587-F783 HydrophobicContact CB-CZ 3.89Å; I587-F783 HydrophobicContact CG2-CD1 4.21Å; I587-F783 HydrophobicContact CG2-CD2 4.07Å; I587-F783 HydrophobicContact CG2-CE1 3.76Å; I587-F783 HydrophobicContact CG2-CE2 3.6Å; I587-F783 HydrophobicContact CG2-CG 4.37Å; I587-F783 HydrophobicContact CG2-CZ 3.44Å; I587-F783 VanDerWaalsContact CG2-CZ 3.44Å; I587-W784 HydrophobicContact CD1-CD2 4.43Å; I587-W784 HydrophobicContact CD1-CE3 3.38Å; I587-W784 HydrophobicContact CD1-CZ3 3.67Å; I587-A787 HydrophobicContact CB-CB 4.37Å; I587-A787 HydrophobicContact CD1-CB 3.88Å; I587-A787 HydrophobicContact CG1-CB 3.99Å; I587-A787 HydrophobicContact CG2-CB 3.53Å; I587-R794 CarbonylContact O-C 3.57Å; I587-R794 VanDerWaalsContact O-CA 3.29Å; I587-R794 WeakPolarHBondContact O-CA 3.42Å; I587-I795 HydrophobicContact CG2-CB 4.44Å; I587-I795 PolarHBondContact N-O 3.08Å; I587-I795 PolarHBondContact O-N 3.16Å
588	C	90.5	Very high	86.5	Confident	15 Å²	15	29.1 Å²	29.1	10%	0.101	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	99.9	170.8	169.6	0	0	0	0	107.2	N597 G792 R794	C588-N597 HydrophobicContact CB-CB 4.33Å; C588-N597 PolarHBondContact N-O 3.44Å; C588-N597 PolarHBondContact O-N 2.92Å; C588-G792 PolarHBondContact SG-O 3Å; C588-R794 HydrophobicContact CB-CB 4.32Å
589	R	87.4	Confident	86.6	Confident	25 Å²	25	32.5 Å²	32.5	9%	0.094	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	121.6	178.6	178.4	176.2	-174	-164.5	10.4	107.9	V596 D758 W784 A787 N791 G792	R589-V596 HydrophobicContact CB-CG2 4.2Å; R589-V596 HydrophobicContact CG-CG2 3.99Å; R589-D758 IonicContact CZ-OD1 2.98Å; R589-D758 IonicContact NH1-OD1 3.13Å; R589-D758 PolarHBondContact NH1-OD1 2.91Å; R589-D758 IonicContact NH2-OD1 3.41Å; R589-D758 PolarHBondContact NH2-OD1 3.13Å; R589-D758 IonicContact NH2-OD2 3.32Å; R589-D758 PolarHBondContact NH2-OD2 2.76Å; R589-W784 PolarHBondContact NH1-O 2.81Å; R589-A787 HydrophobicContact CB-CB 3.79Å; R589-N791 CarbonylContact O-C 3.58Å; R589-N791 WeakPolarHBondContact O-CA 3.49Å; R589-G792 PolarHBondContact O-N 3.39Å
590	N	81.7	Confident	86.7	Confident	22 Å²	22	32.6 Å²	32.6	12%	0.118	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	97.4	173.1	-166.1	-57.5	0	0	0	108.6	S592 K593 G594 F595 N791	N590-S592 VanDerWaalsContact C-N 3.32Å; N590-S592 PolarHBondContact O-N 2.93Å; N590-S592 PolarHBondContact OD1-N 3.13Å; N590-S592 PolarHBondContact OD1-OG 2.98Å; N590-K593 HydrophobicContact CB-CB 4.3Å; N590-K593 PolarHBondContact O-N 2.92Å; N590-K593 WeakPolarHBondContact OD1-CB 3.35Å; N590-K593 PolarHBondContact OD1-N 2.85Å; N590-G594 PolarHBondContact O-N 3.17Å; N590-F595 HydrophobicContact CB-CD1 4.11Å; N590-F595 HydrophobicContact CB-CD2 4.1Å; N590-F595 HydrophobicContact CB-CE1 3.76Å; N590-F595 HydrophobicContact CB-CE2 3.72Å; N590-F595 HydrophobicContact CB-CG 4.27Å; N590-F595 HydrophobicContact CB-CZ 3.55Å; N590-F595 PolarHBondContact N-O 3.43Å; N590-F595 PolarHBondContact O-N 3.22Å; N590-F595 VanDerWaalsContact O-N 3.09Å; N590-N791 WeakPolarHBondContact CA-OD1 3.2Å
591	Q	74.2	Confident	86.7	Confident	87 Å²	87	33.6 Å²	33.6	41%	0.407	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-58.6	-46.1	179.4	-62.8	171.5	-31.5	0	0	110.4	K593 G594 G788 N791	Q591-K593 VanDerWaalsContact C-N 3.27Å; Q591-K593 PolarHBondContact O-N 3.32Å; Q591-G594 PolarHBondContact O-N 2.85Å; Q591-G594 VanDerWaalsContact O-N 3.11Å; Q591-G788 PolarHBondContact OE1-O 3.38Å; Q591-N791 PolarHBondContact N-OD1 3.1Å
592	S	70.8	Confident	86.6	Confident	89 Å²	89	34.9 Å²	34.9	62%	0.622	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-65	-23.1	-178	36	0	0	0	0	115.1	N590 N791	N590-S592 VanDerWaalsContact C-N 3.32Å; N590-S592 PolarHBondContact O-N 2.93Å; N590-S592 PolarHBondContact OD1-N 3.13Å; N590-S592 PolarHBondContact OD1-OG 2.98Å; S592-N791 PolarHBondContact OG-ND2 3.49Å
593	K	76.6	Confident	86.7	Confident	159 Å²	159	32.9 Å²	32.9	69%	0.691	16%	0.164	S	C	*	.	G	3₁₀ helix	trans	-107.7	5	174.8	-69.1	-173.3	170.5	-170.6	0	113	N590 Q591 F595	N590-K593 HydrophobicContact CB-CB 4.3Å; N590-K593 PolarHBondContact O-N 2.92Å; N590-K593 WeakPolarHBondContact OD1-CB 3.35Å; N590-K593 PolarHBondContact OD1-N 2.85Å; Q591-K593 VanDerWaalsContact C-N 3.27Å; Q591-K593 PolarHBondContact O-N 3.32Å; K593-F595 HydrophobicContact CB-CD1 3.59Å; K593-F595 HydrophobicContact CB-CE1 3.68Å; K593-F595 HydrophobicContact CD-CD1 4.47Å; K593-F595 HydrophobicContact CD-CE1 3.78Å; K593-F595 HydrophobicContact CG-CE1 4.36Å; K593-F595 PolarHBondContact O-N 3.14Å
594	G	80.7	Confident	86.6	Confident	15 Å²	15	36.3 Å²	36.3	16%	0.155	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	44.1	179.2	0	0	0	0	0	114.1	N590 Q591 S697 L698	N590-G594 PolarHBondContact O-N 3.17Å; Q591-G594 PolarHBondContact O-N 2.85Å; Q591-G594 VanDerWaalsContact O-N 3.11Å; G594-S697 CarbonylContact O-C 3.58Å; G594-L698 PolarHBondContact O-N 3.45Å
595	F	85.2	Confident	86.3	Confident	47 Å²	47	38.7 Å²	38.7	21%	0.206	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	157.7	177.4	74.9	-114.1	0	0	0	115.5	N590 K593 H695 F696	N590-F595 HydrophobicContact CB-CD1 4.11Å; N590-F595 HydrophobicContact CB-CD2 4.1Å; N590-F595 HydrophobicContact CB-CE1 3.76Å; N590-F595 HydrophobicContact CB-CE2 3.72Å; N590-F595 HydrophobicContact CB-CG 4.27Å; N590-F595 HydrophobicContact CB-CZ 3.55Å; N590-F595 PolarHBondContact N-O 3.43Å; N590-F595 PolarHBondContact O-N 3.22Å; N590-F595 VanDerWaalsContact O-N 3.09Å; K593-F595 HydrophobicContact CB-CD1 3.59Å; K593-F595 HydrophobicContact CB-CE1 3.68Å; K593-F595 HydrophobicContact CD-CD1 4.47Å; K593-F595 HydrophobicContact CD-CE1 3.78Å; K593-F595 HydrophobicContact CG-CE1 4.36Å; K593-F595 PolarHBondContact O-N 3.14Å; F595-H695 AromaticContact CD2-CE1 3.71Å; F595-H695 AromaticContact CG-CE1 3.58Å; F595-F696 CarbonylContact C-O 3.58Å; F595-F696 VanDerWaalsContact CA-O 3.29Å; F595-F696 WeakPolarHBondContact CA-O 3.3Å; F595-F696 WeakPolarHBondContact CB-O 3.35Å
596	V	89.9	Confident	86.1	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.2	166.5	174.8	0	0	0	0	108.6	I587 R589 I598 F696 L698 W784	I587-V596 HydrophobicContact CD1-CG1 4.07Å; I587-V596 HydrophobicContact CG1-CG1 4.05Å; R589-V596 HydrophobicContact CB-CG2 4.2Å; R589-V596 HydrophobicContact CG-CG2 3.99Å; V596-I598 HydrophobicContact CG1-CD1 3.78Å; V596-I598 HydrophobicContact CG1-CG1 3.88Å; V596-F696 PolarHBondContact N-O 2.86Å; V596-F696 PolarHBondContact O-N 2.9Å; V596-L698 HydrophobicContact CG2-CD1 4.01Å; V596-L698 HydrophobicContact CG2-CD2 3.98Å; V596-L698 HydrophobicContact CG2-CG 4.08Å; V596-W784 HydrophobicContact CG1-CH2 4.49Å; V596-W784 HydrophobicContact CG1-CZ3 4.15Å; V596-W784 HydrophobicContact CG2-CH2 3.89Å; V596-W784 HydrophobicContact CG2-CZ3 4.25Å
597	N	91.1	Very high	86	Confident	35 Å²	35	43.5 Å²	43.5	19%	0.187	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.5	170.8	-180	-60.3	0	0	0	108.8	I587 C588 V694 R794	I587-N597 CarbonylContact C-O 3.57Å; I587-N597 WeakPolarHBondContact CA-O 3.39Å; C588-N597 HydrophobicContact CB-CB 4.33Å; C588-N597 PolarHBondContact N-O 3.44Å; C588-N597 PolarHBondContact O-N 2.92Å; N597-V694 WeakPolarHBondContact CA-O 3.46Å; N597-R794 PolarHBondContact OD1-NH2 2.81Å
598	I	92.4	Very high	85.9	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	141.3	-179.7	-70.2	152.8	0	0	0	108.6	V585 S586 I587 V596 T634 F693 V694 F696 V715 F756	V585-I598 HydrophobicContact CG1-CG2 3.95Å; S586-I598 CarbonylContact O-C 3.55Å; S586-I598 VanDerWaalsContact O-CA 3.3Å; S586-I598 WeakPolarHBondContact O-CA 3.29Å; I587-I598 HydrophobicContact CG1-CG1 4.22Å; V596-I598 HydrophobicContact CG1-CD1 3.78Å; V596-I598 HydrophobicContact CG1-CG1 3.88Å; I598-T634 HydrophobicContact CD1-CG2 4.33Å; I598-F693 CarbonylContact O-C 3.57Å; I598-F693 WeakPolarHBondContact O-CA 3.43Å; I598-V694 PolarHBondContact N-O 3.19Å; I598-V694 PolarHBondContact O-N 3.08Å; I598-F696 HydrophobicContact CD1-CD2 4.45Å; I598-F696 HydrophobicContact CD1-CE2 4.32Å; I598-V715 HydrophobicContact CD1-CB 4.34Å; I598-V715 HydrophobicContact CD1-CG1 3.88Å; I598-V715 HydrophobicContact CD1-CG2 3.96Å; I598-F756 HydrophobicContact CD1-CE2 4.04Å; I598-F756 HydrophobicContact CD1-CZ 3.99Å; I598-F756 HydrophobicContact CG1-CE2 4.47Å; I598-F756 HydrophobicContact CG1-CZ 4.42Å
599	R	91	Very high	85.8	Confident	94 Å²	94	45.7 Å²	45.7	36%	0.355	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	129.1	168.6	-175.4	-179.6	-176.5	-165	5.3	109.2	S586 A690 C692 F693	S586-R599 PolarHBondContact N-O 3.49Å; S586-R599 PolarHBondContact O-N 3.44Å; S586-R599 PolarHBondContact OG-O 2.85Å; R599-A690 PolarHBondContact NE-O 3.4Å; R599-A690 PolarHBondContact NH2-O 3.08Å; R599-C692 WeakPolarHBondContact CA-O 3.47Å; R599-C692 WeakPolarHBondContact CG-O 3.32Å; R599-F693 HydrophobicContact CB-CB 4.32Å; R599-F693 HydrophobicContact CG-CB 4.27Å
600	I	90.8	Very high	86	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	121.4	173	-55.7	168.2	0	0	0	106.1	M583 I603 V632 L689 C692 I717	M583-I600 HydrophobicContact CG-CG2 3.54Å; M583-I600 HydrophobicContact SD-CD1 3.87Å; M583-I600 HydrophobicContact SD-CG1 4.14Å; M583-I600 HydrophobicContact SD-CG2 3.66Å; I600-I603 HydrophobicContact CG2-CG1 4.29Å; I600-V632 HydrophobicContact CD1-CG1 3.68Å; I600-L689 HydrophobicContact CG2-CD1 4Å; I600-C692 HydrophobicContact CB-CB 4.22Å; I600-C692 PolarHBondContact N-O 3.09Å; I600-I717 HydrophobicContact CD1-CD1 3.9Å; I600-I717 HydrophobicContact CD1-CG1 4.46Å; I600-I717 HydrophobicContact CD1-CG2 3.89Å; I600-I717 HydrophobicContact CG1-CD1 4.11Å
601	H	88.2	Confident	86.2	Confident	36 Å²	36	46.7 Å²	46.7	17%	0.167	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-36.7	-174.3	-61	-91	0	0	0	112.8	L584 S586 L689 Y796	L584-H601 HydrophobicContact CB-CB 4.49Å; L584-H601 HydrophobicContact CD2-CB 4.14Å; L584-H601 HydrophobicContact CG-CB 4.19Å; L584-H601 PolarHBondContact O-N 2.82Å; S586-H601 WeakPolarHBondContact CB-NE2 3.38Å; S586-H601 PolarHBondContact OG-NE2 3.47Å; H601-L689 PolarHBondContact O-N 2.9Å; H601-Y796 AromaticContact CE1-CE1 3.66Å; H601-Y796 AromaticContact NE2-CD1 3.68Å; H601-Y796 AromaticContact NE2-CE1 3.3Å; H601-Y796 VanDerWaalsContact NE2-CE1 3.3Å; H601-Y796 WeakPolarHBondContact NE2-CE1 3.11Å
602	E	87.8	Confident	86.8	Confident	30 Å²	30	43.3 Å²	43.3	14%	0.14	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	145.6	-176.8	-159.2	-172.9	150.3	0	0	110.3	M583 L584 F687 T688 W798	M583-E602 CarbonylContact C-O 3.58Å; M583-E602 WeakPolarHBondContact CA-O 3.31Å; L584-E602 HydrophobicContact CB-CB 3.95Å; L584-E602 PolarHBondContact N-O 2.68Å; E602-F687 CarbonylContact C-O 3.58Å; E602-F687 VanDerWaalsContact CA-O 3.22Å; E602-F687 WeakPolarHBondContact CA-O 3.15Å; E602-T688 HydrophobicContact CG-CG2 4.41Å; E602-W798 HydrophobicContact CB-CH2 3.93Å; E602-W798 HydrophobicContact CG-CH2 4.1Å; E602-W798 WeakPolarHBondContact OE2-CH2 3.29Å
603	I	87.6	Confident	87.6	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.5	160.9	-62.4	170	0	0	0	106.6	D582 M583 I600 L606 I651 N686 F687 L689 I719 I801	D582-I603 CarbonylContact O-C 3.53Å; D582-I603 WeakPolarHBondContact O-CA 3.36Å; M583-I603 HydrophobicContact CB-CG1 4.38Å; M583-I603 HydrophobicContact CG-CG1 3.97Å; M583-I603 HydrophobicContact SD-CG1 4.35Å; I600-I603 HydrophobicContact CG2-CG1 4.29Å; I603-L606 HydrophobicContact CG2-CD1 3.98Å; I603-I651 HydrophobicContact CD1-CD1 4.35Å; I603-N686 CarbonylContact O-C 3.59Å; I603-N686 WeakPolarHBondContact O-CA 3.3Å; I603-F687 HydrophobicContact CB-CD2 4.42Å; I603-F687 PolarHBondContact N-O 2.99Å; I603-F687 PolarHBondContact O-N 2.71Å; I603-L689 HydrophobicContact CD1-CD1 3.89Å; I603-L689 HydrophobicContact CG1-CD1 4.13Å; I603-I719 HydrophobicContact CD1-CD1 4.02Å; I603-I801 HydrophobicContact CG2-CD1 3.85Å
604	R	86.6	Confident	88.2	Confident	72 Å²	72	38.5 Å²	38.5	27%	0.272	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	172.8	-179.6	69.2	173.6	-166.9	-154.9	0.2	112.1	D582 L606 N685 N686 W798	D582-R604 HydrophobicContact CB-CG 3.77Å; D582-R604 PolarHBondContact N-O 3.43Å; D582-R604 PolarHBondContact O-N 3.29Å; D582-R604 IonicContact OD2-CZ 2.95Å; D582-R604 IonicContact OD2-NE 3.17Å; D582-R604 PolarHBondContact OD2-NE 3.29Å; D582-R604 IonicContact OD2-NH2 3.88Å; D582-R604 PolarHBondContact OD2-NH2 3.46Å; R604-L606 PolarHBondContact O-N 2.79Å; R604-L606 VanDerWaalsContact O-N 3.11Å; R604-N685 VanDerWaalsContact CA-O 3.31Å; R604-N685 WeakPolarHBondContact CA-O 2.91Å; R604-N686 HydrophobicContact CB-CB 4.2Å; R604-W798 HydrophobicContact CG-CH2 3.79Å; R604-W798 HydrophobicContact CG-CZ3 3.7Å; R604-W798 VanDerWaalsContact NH1-CZ2 3.33Å
605	N	85.7	Confident	88.6	Confident	83 Å²	83	43.5 Å²	43.5	44%	0.444	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	55.5	28.5	176	-60.5	-29.5	0	0	0	113.1	D582 Q607	D582-N605 PolarHBondContact OD2-ND2 3.11Å; N605-Q607 PolarHBondContact O-N 3.27Å
606	L	86.9	Confident	88.8	Confident	2 Å²	2	42 Å²	42	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	128.6	-173.6	-162.2	87.7	0	0	0	111.1	S580 I603 R604 F608 M630 N685 I801	S580-L606 CarbonylContact O-C 3.54Å; S580-L606 WeakPolarHBondContact O-CA 3.3Å; I603-L606 HydrophobicContact CG2-CD1 3.98Å; R604-L606 PolarHBondContact O-N 2.79Å; R604-L606 VanDerWaalsContact O-N 3.11Å; L606-F608 HydrophobicContact CD2-CE2 4.02Å; L606-F608 HydrophobicContact CD2-CZ 3.97Å; L606-M630 HydrophobicContact CD1-CE 3.92Å; L606-M630 HydrophobicContact CD2-CE 3.56Å; L606-M630 HydrophobicContact CD2-SD 3.62Å; L606-M630 HydrophobicContact CG-CE 4.41Å; L606-N685 HydrophobicContact CB-CB 4.28Å; L606-N685 PolarHBondContact O-ND2 3.03Å; L606-I801 HydrophobicContact CD1-CD1 4.36Å
607	Q	89.2	Confident	88.7	Confident	99 Å²	99	47.2 Å²	47.2	46%	0.463	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.3	178.4	-67.2	177.1	-8.5	0	0	110.4	L579 S580 N605	L579-Q607 WeakPolarHBondContact CA-O 3.35Å; S580-Q607 PolarHBondContact N-O 3.3Å; S580-Q607 PolarHBondContact O-N 3.07Å; N605-Q607 PolarHBondContact O-N 3.27Å
608	F	90.2	Very high	88.4	Confident	6 Å²	6	51.6 Å²	51.6	3%	0.026	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	127.7	171.3	-60.6	-96.1	0	0	0	109.1	I577 R578 L579 L606 L619 N620 L623 Y628 L723 A750	I577-F608 HydrophobicContact CG2-CB 4.49Å; I577-F608 HydrophobicContact CG2-CD1 4.36Å; R578-F608 WeakPolarHBondContact O-CA 3.43Å; L579-F608 HydrophobicContact CD2-CD1 3.31Å; L579-F608 HydrophobicContact CD2-CE1 3.23Å; L579-F608 HydrophobicContact CD2-CG 4.13Å; L579-F608 HydrophobicContact CD2-CZ 4Å; L606-F608 HydrophobicContact CD2-CE2 4.02Å; L606-F608 HydrophobicContact CD2-CZ 3.97Å; F608-L619 HydrophobicContact CB-CD2 3.82Å; F608-L619 HydrophobicContact CB-CG 4.05Å; F608-N620 PolarHBondContact N-OD1 3.48Å; F608-N620 PolarHBondContact O-ND2 2.91Å; F608-L623 HydrophobicContact CB-CD1 3.91Å; F608-L623 HydrophobicContact CD1-CD1 3.64Å; F608-L623 HydrophobicContact CD2-CD1 3.52Å; F608-L623 HydrophobicContact CE1-CD1 4Å; F608-L623 HydrophobicContact CE2-CD1 3.91Å; F608-L623 HydrophobicContact CG-CD1 3.39Å; F608-L623 HydrophobicContact CZ-CD1 4.13Å; F608-Y628 HydrophobicContact CE2-CE2 4.42Å; F608-Y628 HydrophobicContact CZ-CD2 4.37Å; F608-Y628 HydrophobicContact CZ-CE1 4.43Å; F608-Y628 AromaticContact CZ-CE2 3.73Å; F608-Y628 HydrophobicContact CZ-CE2 3.73Å; F608-Y628 AromaticContact CZ-CZ 3.76Å; F608-L723 HydrophobicContact CD1-CD1 3.93Å; F608-L723 HydrophobicContact CD1-CD2 4.45Å; F608-L723 HydrophobicContact CE1-CD1 4.05Å; F608-L723 HydrophobicContact CE1-CD2 3.75Å; F608-L723 HydrophobicContact CE1-CG 4.46Å; F608-L723 HydrophobicContact CZ-CD2 4.3Å; F608-A750 HydrophobicContact CD1-CB 4.05Å; F608-A750 HydrophobicContact CE1-CB 4.16Å
609	L	88.9	Confident	88.2	Confident	55 Å²	55	51.8 Å²	51.8	29%	0.288	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.6	-179.7	-58.8	176.4	0	0	0	108.7	I577 R578 Y611	I577-L609 CarbonylContact C-O 3.49Å; I577-L609 WeakPolarHBondContact CA-O 3.36Å; R578-L609 PolarHBondContact N-O 3.36Å; R578-L609 PolarHBondContact O-N 2.97Å; L609-Y611 HydrophobicContact CB-CE2 3.81Å
610	S	89.7	Confident	88	Confident	25 Å²	25	50 Å²	50	18%	0.175	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.7	-179.1	-162.6	0	0	0	0	111.1	A576 R615 I616	A576-S610 WeakPolarHBondContact O-CA 3.23Å; A576-S610 PolarHBondContact O-OG 3.27Å; S610-R615 WeakPolarHBondContact OG-CA 3.34Å; S610-I616 PolarHBondContact OG-N 3.28Å
611	Y	87.3	Confident	87.7	Confident	44 Å²	44	54.5 Å²	54.5	17%	0.173	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	166.4	-169.9	-68.4	-65.3	0	0	0	111.8	W420 M421 A576 R578 L609	W420-Y611 HydrophobicContact CH2-CD2 4.39Å; W420-Y611 AromaticContact CH2-CE2 3.99Å; W420-Y611 HydrophobicContact CH2-CE2 3.99Å; W420-Y611 HydrophobicContact CZ3-CD2 4.22Å; W420-Y611 HydrophobicContact CZ3-CE2 4.27Å; M421-Y611 HydrophobicContact CB-CD1 3.7Å; M421-Y611 HydrophobicContact CB-CE1 3.91Å; M421-Y611 HydrophobicContact CE-CE1 4.27Å; M421-Y611 HydrophobicContact CG-CD1 3.91Å; M421-Y611 HydrophobicContact CG-CE1 3.65Å; M421-Y611 HydrophobicContact SD-CD1 4.39Å; M421-Y611 HydrophobicContact SD-CE1 3.63Å; A576-Y611 PolarHBondContact O-N 3.26Å; R578-Y611 HydrophobicContact CB-CD2 4.22Å; R578-Y611 HydrophobicContact CB-CE2 3.92Å; R578-Y611 HydrophobicContact CG-CD2 4Å; R578-Y611 HydrophobicContact CG-CE2 3.98Å; L609-Y611 HydrophobicContact CB-CE2 3.81Å
612	G	86.1	Confident	87.4	Confident	15 Å²	15	56 Å²	56	16%	0.155	27%	0.268	C	S	.	.	S	Bend	trans	80	-172.9	-179	0	0	0	0	0	115.1	M421 E572 W614 R615	M421-G612 PolarHBondContact O-N 3.22Å; E572-G612 VanDerWaalsContact OE1-CA 3.3Å; E572-G612 WeakPolarHBondContact OE1-CA 3.36Å; G612-W614 VanDerWaalsContact C-N 3.28Å; G612-W614 PolarHBondContact O-N 3.43Å; G612-R615 PolarHBondContact O-N 2.98Å
613	R	87.4	Confident	87.3	Confident	134 Å²	134	54.7 Å²	54.7	51%	0.506	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-32.1	178.8	175.8	177.5	165.9	-173.9	-10.1	112.5	E571 E572	E571-R613 IonicContact OE1-CZ 2.74Å; E571-R613 IonicContact OE1-NH1 3.67Å; E571-R613 PolarHBondContact OE1-NH1 2.99Å; E571-R613 IonicContact OE2-NH1 2.97Å; E572-R613 WeakPolarHBondContact OE1-CB 3.35Å; E572-R613 PolarHBondContact OE1-N 3.02Å
614	W	89.4	Confident	86.9	Confident	14 Å²	14	56.1 Å²	56.1	5%	0.053	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	28.7	-178.7	-49.4	129.5	0	0	0	113.9	E572 P575 G612 I616 P730 E732 C733	E572-W614 PolarHBondContact O-NE1 2.87Å; P575-W614 HydrophobicContact CB-CB 4.4Å; P575-W614 VanDerWaalsContact CB-O 3.25Å; P575-W614 WeakPolarHBondContact CB-O 3.32Å; P575-W614 HydrophobicContact CG-CB 4.01Å; P575-W614 VanDerWaalsContact CG-O 3.32Å; P575-W614 WeakPolarHBondContact CG-O 3.25Å; G612-W614 VanDerWaalsContact C-N 3.28Å; G612-W614 PolarHBondContact O-N 3.43Å; W614-I616 PolarHBondContact O-N 3.32Å; W614-P730 HydrophobicContact CB-CG 4.45Å; W614-P730 HydrophobicContact CE3-CB 4.46Å; W614-E732 HydrophobicContact CH2-CB 4.1Å; W614-E732 HydrophobicContact CZ3-CB 3.86Å; W614-C733 HydrophobicContact CD2-CB 3.61Å; W614-C733 HydrophobicContact CE3-CB 3.77Å; W614-C733 HydrophobicContact CG-CB 3.98Å; W614-C733 HydrophobicContact CH2-CB 4.33Å; W614-C733 HydrophobicContact CZ2-CB 4.26Å; W614-C733 HydrophobicContact CZ3-CB 4.13Å
615	R	88.9	Confident	86.3	Confident	120 Å²	120	57.3 Å²	57.3	45%	0.453	28%	0.281	S	S	.	.			trans	-53.2	136.2	-178.5	75.9	-177.1	-167.4	-152.5	0.8	112.3	S610 G612 E617	S610-R615 WeakPolarHBondContact OG-CA 3.34Å; G612-R615 PolarHBondContact O-N 2.98Å; R615-E617 HydrophobicContact CG-CG 4.39Å; R615-E617 IonicContact CZ-OE1 2.67Å; R615-E617 VanDerWaalsContact CZ-OE1 3.24Å; R615-E617 IonicContact NE-OE1 3.93Å; R615-E617 PolarHBondContact NE-OE1 2.98Å; R615-E617 IonicContact NH2-OE1 3.54Å; R615-E617 PolarHBondContact NH2-OE1 2.65Å
616	I	89.7	Confident	86.1	Confident	14 Å²	14	56.4 Å²	56.4	7%	0.072	27%	0.272	C	S	.	.			trans	-94.7	113.7	170.8	-58.3	176.1	0	0	0	108.3	P575 S610 W614 L619 L622 I725 L728 L748	P575-I616 HydrophobicContact CB-CD1 4.11Å; P575-I616 HydrophobicContact CB-CG1 4.08Å; P575-I616 HydrophobicContact CG-CD1 4.09Å; P575-I616 HydrophobicContact CG-CG1 4.14Å; S610-I616 PolarHBondContact OG-N 3.28Å; W614-I616 PolarHBondContact O-N 3.32Å; I616-L619 HydrophobicContact CB-CD1 4.38Å; I616-L619 HydrophobicContact CG2-CB 4.37Å; I616-L619 HydrophobicContact CG2-CD1 4.08Å; I616-L622 HydrophobicContact CG2-CD1 4.03Å; I616-I725 HydrophobicContact CD1-CD1 4.21Å; I616-L728 HydrophobicContact CD1-CB 4.34Å; I616-L728 WeakPolarHBondContact CD1-O 3.45Å; I616-L748 HydrophobicContact CD1-CD1 3.79Å
617	E	86.9	Confident	86	Confident	110 Å²	110	59.4 Å²	59.4	51%	0.514	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	147.8	179.3	-55.2	-166.6	156.8	0	0	111.1	R615 L619 L622	R615-E617 HydrophobicContact CG-CG 4.39Å; R615-E617 IonicContact CZ-OE1 2.67Å; R615-E617 VanDerWaalsContact CZ-OE1 3.24Å; R615-E617 IonicContact NE-OE1 3.93Å; R615-E617 PolarHBondContact NE-OE1 2.98Å; R615-E617 IonicContact NH2-OE1 3.54Å; R615-E617 PolarHBondContact NH2-OE1 2.65Å; E617-L619 PolarHBondContact O-N 3.18Å; E617-L619 VanDerWaalsContact O-N 3.11Å; E617-L622 WeakPolarHBondContact O-CD1 3.2Å
618	N	86.3	Confident	85.9	Confident	127 Å²	127	55.4 Å²	55.4	68%	0.679	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	28.6	-178	-56.5	-31	0	0	0	115.1	N620 D621 L622	N618-N620 VanDerWaalsContact C-N 3.26Å; N618-N620 PolarHBondContact O-N 2.81Å; N618-N620 VanDerWaalsContact O-N 3.1Å; N618-D621 PolarHBondContact O-N 2.71Å; N618-L622 PolarHBondContact O-N 3.38Å; N618-L622 VanDerWaalsContact O-N 3.16Å
619	L	88.1	Confident	85.8	Confident	6 Å²	6	56.9 Å²	56.9	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-50.6	-38.4	-175.5	179.7	60.5	0	0	0	114.3	I577 F608 I616 E617 D621 L622 L623 I725	I577-L619 HydrophobicContact CD1-CD2 4.03Å; I577-L619 HydrophobicContact CG1-CD2 4.12Å; I577-L619 HydrophobicContact CG2-CD2 3.71Å; F608-L619 HydrophobicContact CB-CD2 3.82Å; F608-L619 HydrophobicContact CB-CG 4.05Å; I616-L619 HydrophobicContact CB-CD1 4.38Å; I616-L619 HydrophobicContact CG2-CB 4.37Å; I616-L619 HydrophobicContact CG2-CD1 4.08Å; E617-L619 PolarHBondContact O-N 3.18Å; E617-L619 VanDerWaalsContact O-N 3.11Å; L619-D621 PolarHBondContact O-N 3.08Å; L619-L622 PolarHBondContact O-N 3.34Å; L619-L623 HydrophobicContact CD1-CD1 3.87Å; L619-L623 HydrophobicContact CD1-CG 4.04Å; L619-L623 HydrophobicContact CG-CD1 3.88Å; L619-L623 HydrophobicContact CG-CG 4.45Å; L619-L623 WeakPolarHBondContact O-CB 3.48Å; L619-L623 VanDerWaalsContact O-CG 3.26Å; L619-L623 WeakPolarHBondContact O-CG 3.39Å; L619-L623 PolarHBondContact O-N 2.81Å; L619-I725 HydrophobicContact CD1-CD1 3.73Å
620	N	85.4	Confident	85.9	Confident	55 Å²	55	54.3 Å²	54.3	29%	0.294	27%	0.267	S	S	.	.	H	α-helix	trans	-62.4	-40.5	178.4	-71	-63.3	0	0	0	112.7	F608 N618 L623 N624	F608-N620 PolarHBondContact N-OD1 3.48Å; F608-N620 PolarHBondContact O-ND2 2.91Å; N618-N620 VanDerWaalsContact C-N 3.26Å; N618-N620 PolarHBondContact O-N 2.81Å; N618-N620 VanDerWaalsContact O-N 3.1Å; N620-L623 PolarHBondContact O-N 2.86Å; N620-N624 PolarHBondContact O-N 3.37Å
621	D	84.5	Confident	85.9	Confident	97 Å²	97	53.3 Å²	53.3	52%	0.519	26%	0.26	S	S	.	.	H	α-helix	trans	-77.5	-31.8	179.4	-71	-58.3	0	0	0	112.7	N618 L619 L623 N624	N618-D621 PolarHBondContact O-N 2.71Å; L619-D621 PolarHBondContact O-N 3.08Å; D621-L623 PolarHBondContact O-N 3.07Å; D621-N624 PolarHBondContact O-N 3.32Å; D621-N624 PolarHBondContact OD1-ND2 2.91Å
622	L	83.9	Confident	86.1	Confident	68 Å²	68	51.2 Å²	51.2	36%	0.356	25%	0.251	S	S	.	.	H	α-helix	trans	-66.5	-27.6	170.5	-63.8	168.5	0	0	0	112.5	I616 E617 N618 L619 L728	I616-L622 HydrophobicContact CG2-CD1 4.03Å; E617-L622 WeakPolarHBondContact O-CD1 3.2Å; N618-L622 PolarHBondContact O-N 3.38Å; N618-L622 VanDerWaalsContact O-N 3.16Å; L619-L622 PolarHBondContact O-N 3.34Å; L622-L728 HydrophobicContact CB-CD1 3.83Å; L622-L728 HydrophobicContact CD1-CD1 4.06Å; L622-L728 HydrophobicContact CG-CD1 4.35Å
623	L	84.4	Confident	86.3	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-87.1	-25.8	175.5	-72.6	172.6	0	0	0	114.3	F608 L619 N620 D621 N625 R626 L723 I725	F608-L623 HydrophobicContact CB-CD1 3.91Å; F608-L623 HydrophobicContact CD1-CD1 3.64Å; F608-L623 HydrophobicContact CD2-CD1 3.52Å; F608-L623 HydrophobicContact CE1-CD1 4Å; F608-L623 HydrophobicContact CE2-CD1 3.91Å; F608-L623 HydrophobicContact CG-CD1 3.39Å; F608-L623 HydrophobicContact CZ-CD1 4.13Å; L619-L623 HydrophobicContact CD1-CD1 3.87Å; L619-L623 HydrophobicContact CD1-CG 4.04Å; L619-L623 HydrophobicContact CG-CD1 3.88Å; L619-L623 HydrophobicContact CG-CG 4.45Å; L619-L623 WeakPolarHBondContact O-CB 3.48Å; L619-L623 VanDerWaalsContact O-CG 3.26Å; L619-L623 WeakPolarHBondContact O-CG 3.39Å; L619-L623 PolarHBondContact O-N 2.81Å; N620-L623 PolarHBondContact O-N 2.86Å; D621-L623 PolarHBondContact O-N 3.07Å; L623-N625 PolarHBondContact O-N 3.38Å; L623-R626 PolarHBondContact O-N 3.34Å; L623-L723 HydrophobicContact CD1-CD1 3.95Å; L623-L723 HydrophobicContact CD1-CD2 4.35Å; L623-L723 HydrophobicContact CD2-CB 4.41Å; L623-L723 HydrophobicContact CD2-CD1 4.28Å; L623-L723 HydrophobicContact CD2-CD2 4Å; L623-L723 HydrophobicContact CD2-CG 4.47Å; L623-I725 HydrophobicContact CD2-CG2 3.73Å
624	N	79.5	Confident	86.4	Confident	30 Å²	30	45 Å²	45	16%	0.16	22%	0.224	C	C	.	.	H	α-helix	trans	-49.7	-34.6	-178.6	-90.1	-34.6	0	0	0	113.6	N620 D621 K683	N620-N624 PolarHBondContact O-N 3.37Å; D621-N624 PolarHBondContact O-N 3.32Å; D621-N624 PolarHBondContact OD1-ND2 2.91Å; N624-K683 PolarHBondContact ND2-NZ 3.4Å
625	N	74.5	Confident	86.4	Confident	97 Å²	97	44.3 Å²	44.3	52%	0.519	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-4.2	-177.1	-62.3	-20.4	0	0	0	113.9	L623 S655	L623-N625 PolarHBondContact O-N 3.38Å; N625-S655 WeakPolarHBondContact O-CB 3.46Å; N625-S655 PolarHBondContact O-OG 2.92Å
626	R	81.2	Confident	86.4	Confident	64 Å²	64	38.7 Å²	38.7	24%	0.242	20%	0.2	C	C	.	.	S	Bend	trans	-102.9	147.9	-175.3	-65.2	-173	-174.9	-135.2	-1	111.8	L623 P724 D727	L623-R626 PolarHBondContact O-N 3.34Å; R626-P724 PolarHBondContact NH1-O 2.88Å; R626-D727 IonicContact CZ-OD1 3.89Å; R626-D727 IonicContact CZ-OD2 3.21Å; R626-D727 VanDerWaalsContact NH1-CG 3.32Å; R626-D727 IonicContact NH1-OD1 3.51Å; R626-D727 PolarHBondContact NH1-OD1 2.89Å; R626-D727 IonicContact NH1-OD2 2.74Å; R626-D727 PolarHBondContact NH1-OD2 3.34Å; R626-D727 IonicContact NH2-OD1 2.84Å; R626-D727 IonicContact NH2-OD2 3.04Å; R626-D727 PolarHBondContact NH2-OD2 3.35Å
627	S	84.1	Confident	86	Confident	64 Å²	64	38.2 Å²	38.2	45%	0.448	20%	0.198	S	C	.	.			trans	-80.5	146	165.2	43.5	0	0	0	0	110.5	Y653 P724	S627-Y653 WeakPolarHBondContact CA-O 3.43Å; S627-Y653 VanDerWaalsContact CB-O 3.25Å; S627-Y653 WeakPolarHBondContact CB-O 3.2Å; S627-P724 WeakPolarHBondContact O-CD 3.49Å; S627-P724 WeakPolarHBondContact O-CG 3.46Å
628	Y	87.6	Confident	85.7	Confident	15 Å²	15	35 Å²	35	6%	0.059	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	159.6	175.9	53.4	-94.6	0	0	0	111.7	F608 M630 Y653 K722 L723	F608-Y628 HydrophobicContact CE2-CE2 4.42Å; F608-Y628 HydrophobicContact CZ-CD2 4.37Å; F608-Y628 HydrophobicContact CZ-CE1 4.43Å; F608-Y628 AromaticContact CZ-CE2 3.73Å; F608-Y628 HydrophobicContact CZ-CE2 3.73Å; F608-Y628 AromaticContact CZ-CZ 3.76Å; Y628-M630 HydrophobicContact CD2-CG 4Å; Y628-M630 HydrophobicContact CD2-SD 4.47Å; Y628-M630 HydrophobicContact CE2-CG 3.97Å; Y628-M630 HydrophobicContact CE2-SD 3.84Å; Y628-Y653 HydrophobicContact CD1-CD1 4.05Å; Y628-Y653 HydrophobicContact CD1-CG 4.34Å; Y628-Y653 AromaticContact CE1-CD1 3.32Å; Y628-Y653 HydrophobicContact CE1-CD1 3.32Å; Y628-Y653 HydrophobicContact CE1-CE1 4.09Å; Y628-Y653 AromaticContact CE1-CG 3.7Å; Y628-Y653 HydrophobicContact CE1-CG 3.7Å; Y628-Y653 HydrophobicContact CE2-CD1 4.45Å; Y628-Y653 AromaticContact CE2-CG 3.97Å; Y628-Y653 HydrophobicContact CE2-CG 3.97Å; Y628-Y653 AromaticContact CZ-CD1 3.57Å; Y628-Y653 AromaticContact CZ-CG 3.48Å; Y628-Y653 VanDerWaalsContact CZ-CG 3.48Å; Y628-Y653 PolarHBondContact N-O 2.83Å; Y628-Y653 PolarHBondContact O-N 2.75Å; Y628-K722 WeakPolarHBondContact CB-O 3.37Å; Y628-L723 HydrophobicContact CD1-CD2 4.46Å; Y628-L723 HydrophobicContact CD2-CD2 4.19Å; Y628-L723 HydrophobicContact CG-CD2 3.92Å
629	E	88.7	Confident	85.1	Confident	37 Å²	37	31.3 Å²	31.3	17%	0.173	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	130.4	174.7	-169.6	-166	165.1	0	0	109.4	T631 T650 G721 K722	E629-T631 HydrophobicContact CG-CG2 4.2Å; E629-T631 WeakPolarHBondContact OE1-CG2 3.36Å; E629-T650 HydrophobicContact CG-CG2 3.49Å; E629-T650 VanDerWaalsContact CG-CG2 3.49Å; E629-T650 VanDerWaalsContact OE1-CG2 3.27Å; E629-T650 WeakPolarHBondContact OE1-CG2 3.48Å; E629-T650 PolarHBondContact OE1-OG1 2.89Å; E629-G721 CarbonylContact O-C 3.58Å; E629-G721 WeakPolarHBondContact O-CA 3.41Å; E629-K722 HydrophobicContact CB-CB 4.27Å; E629-K722 HydrophobicContact CB-CD 4.48Å; E629-K722 PolarHBondContact N-O 3.33Å; E629-K722 PolarHBondContact O-N 3.23Å; E629-K722 IonicContact OE1-NZ 2.7Å; E629-K722 WeakPolarHBondContact OE2-CD 3.48Å; E629-K722 WeakPolarHBondContact OE2-CE 3.37Å; E629-K722 IonicContact OE2-NZ 3.33Å; E629-K722 PolarHBondContact OE2-NZ 3.41Å
630	M	89.6	Confident	84.3	Confident	2 Å²	2	32 Å²	32	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.5	164.8	-66.6	175	67.5	0	0	109.5	L579 L606 Y628 T650 I651 I719	L579-M630 HydrophobicContact CD1-CE 4.19Å; L606-M630 HydrophobicContact CD1-CE 3.92Å; L606-M630 HydrophobicContact CD2-CE 3.56Å; L606-M630 HydrophobicContact CD2-SD 3.62Å; L606-M630 HydrophobicContact CG-CE 4.41Å; Y628-M630 HydrophobicContact CD2-CG 4Å; Y628-M630 HydrophobicContact CD2-SD 4.47Å; Y628-M630 HydrophobicContact CE2-CG 3.97Å; Y628-M630 HydrophobicContact CE2-SD 3.84Å; M630-T650 CarbonylContact O-C 3.58Å; M630-T650 WeakPolarHBondContact O-CA 3.29Å; M630-I651 HydrophobicContact CB-CB 4.31Å; M630-I651 PolarHBondContact N-O 2.93Å; M630-I651 PolarHBondContact O-N 3.12Å; M630-I719 HydrophobicContact CE-CG2 3.41Å; M630-I719 VanDerWaalsContact CE-CG2 3.41Å
631	T	90.2	Very high	83.9	Confident	4 Å²	4	33.9 Å²	33.9	3%	0.025	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.9	179.2	48.6	0	0	0	0	109.7	E629 I719 K720	E629-T631 HydrophobicContact CG-CG2 4.2Å; E629-T631 WeakPolarHBondContact OE1-CG2 3.36Å; T631-I719 WeakPolarHBondContact O-CA 3.36Å; T631-K720 PolarHBondContact N-O 2.83Å; T631-K720 PolarHBondContact O-N 2.99Å; T631-K720 WeakPolarHBondContact OG1-CD 3.49Å; T631-K720 PolarHBondContact OG1-O 2.83Å
632	V	90.8	Very high	83.7	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	124.8	179.1	-171.8	0	0	0	0	108.8	I600 K647 A648 T649 I651 I717 Y718 I719	I600-V632 HydrophobicContact CD1-CG1 3.68Å; V632-K647 CarbonylContact O-C 3.57Å; V632-A648 HydrophobicContact CB-CB 4.38Å; V632-A648 HydrophobicContact CG1-CB 4.3Å; V632-A648 PolarHBondContact O-N 3.02Å; V632-T649 HydrophobicContact CB-CG2 4.02Å; V632-T649 HydrophobicContact CG2-CG2 3.84Å; V632-T649 PolarHBondContact N-O 3.05Å; V632-T649 PolarHBondContact O-N 3.19Å; V632-I651 HydrophobicContact CG2-CD1 4.28Å; V632-I717 HydrophobicContact CG1-CG2 3.75Å; V632-Y718 CarbonylContact C-O 3.6Å; V632-Y718 WeakPolarHBondContact CA-O 3.33Å; V632-I719 HydrophobicContact CG1-CG1 4.42Å; V632-I719 HydrophobicContact CG2-CG1 4.41Å
633	H	90.6	Very high	83.7	Confident	18 Å²	18	31.1 Å²	31.1	8%	0.083	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131.4	178	-73.7	-110.3	0	0	0	108.9	W461 I646 Y718	W461-H633 HydrophobicContact CB-CB 4.17Å; W461-H633 AromaticContact CD1-CE1 3.77Å; W461-H633 AromaticContact CD1-ND1 3.35Å; W461-H633 VanDerWaalsContact CD1-ND1 3.35Å; W461-H633 HydrophobicContact CD2-CB 4.03Å; W461-H633 AromaticContact CD2-CG 3.71Å; W461-H633 AromaticContact CD2-ND1 3.7Å; W461-H633 AromaticContact CE2-CE1 3.6Å; W461-H633 AromaticContact CE2-CG 3.98Å; W461-H633 AromaticContact CE2-ND1 3.69Å; W461-H633 AromaticContact CE2-NE2 3.88Å; W461-H633 HydrophobicContact CE3-CB 4.25Å; W461-H633 HydrophobicContact CG-CB 3.96Å; W461-H633 AromaticContact CG-CG 3.82Å; W461-H633 AromaticContact CG-ND1 3.52Å; W461-H633 AromaticContact NE1-CE1 3.33Å; W461-H633 PolarHBondContact NE1-CE1 2.83Å; W461-H633 VanDerWaalsContact NE1-CE1 3.33Å; W461-H633 AromaticContact NE1-ND1 3.41Å; W461-H633 PolarHBondContact NE1-ND1 2.92Å; H633-I646 WeakPolarHBondContact CA-O 3.42Å; H633-Y718 PolarHBondContact N-O 2.83Å; H633-Y718 PolarHBondContact O-N 2.87Å
634	T	91.2	Very high	83.8	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	131	175.8	-52	0	0	0	0	108.8	I598 I646 V694 F696 V715 I717	I598-T634 HydrophobicContact CD1-CG2 4.33Å; T634-I646 PolarHBondContact N-O 3.28Å; T634-I646 PolarHBondContact O-N 2.8Å; T634-V694 HydrophobicContact CG2-CG1 4.47Å; T634-F696 HydrophobicContact CG2-CE2 3.71Å; T634-F696 HydrophobicContact CG2-CZ 3.95Å; T634-V715 HydrophobicContact CG2-CG1 3.46Å; T634-V715 VanDerWaalsContact CG2-CG1 3.46Å; T634-I717 HydrophobicContact CG2-CG1 4.06Å
635	C	88.9	Confident	84.2	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	124.8	-177.3	-60.1	0	0	0	0	110.3	W461 I637 I642 K644 V715 T716	W461-C635 WeakPolarHBondContact CB-SG 3.37Å; C635-I637 HydrophobicContact CB-CG1 4.46Å; C635-I642 HydrophobicContact CB-CG2 4.28Å; C635-K644 CarbonylContact C-O 3.45Å; C635-K644 WeakPolarHBondContact CA-O 3.29Å; C635-V715 VanDerWaalsContact O-CA 3.29Å; C635-V715 WeakPolarHBondContact O-CA 3.45Å; C635-T716 PolarHBondContact N-O 2.88Å; C635-T716 PolarHBondContact O-N 2.88Å
636	L	87.6	Confident	85	Confident	1 Å²	1	34 Å²	34	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	123.2	164.2	179.5	72.7	0	0	0	108.6	I643 K644 F696 L698 V715	L636-I643 HydrophobicContact CD2-CB 4.3Å; L636-I643 HydrophobicContact CD2-CD1 4.22Å; L636-I643 HydrophobicContact CD2-CG2 4.37Å; L636-I643 PolarHBondContact O-N 2.89Å; L636-K644 PolarHBondContact N-O 2.97Å; L636-K644 PolarHBondContact O-N 2.81Å; L636-F696 HydrophobicContact CB-CD1 3.63Å; L636-F696 HydrophobicContact CB-CD2 4.37Å; L636-F696 HydrophobicContact CB-CE1 3.73Å; L636-F696 HydrophobicContact CB-CE2 4.45Å; L636-F696 HydrophobicContact CB-CG 3.97Å; L636-F696 HydrophobicContact CB-CZ 4.15Å; L636-F696 HydrophobicContact CD2-CB 4.24Å; L636-F696 HydrophobicContact CD2-CD1 4.37Å; L636-F696 HydrophobicContact CD2-CG 4.45Å; L636-L698 HydrophobicContact CD1-CD2 3.89Å; L636-L698 HydrophobicContact CD2-CD2 4.17Å; L636-V715 HydrophobicContact CD1-CG2 4.15Å
637	I	82.7	Confident	85.3	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	146.3	179.9	-60.5	167.1	0	0	0	108.9	F490 C635 N641 I642 H713 G714 T716 F761	F490-I637 HydrophobicContact CE1-CD1 3.96Å; F490-I637 HydrophobicContact CZ-CD1 3.62Å; F490-I637 HydrophobicContact CZ-CG1 4.08Å; C635-I637 HydrophobicContact CB-CG1 4.46Å; I637-N641 CarbonylContact C-O 3.59Å; I637-N641 VanDerWaalsContact CA-O 3.29Å; I637-N641 WeakPolarHBondContact CA-O 3Å; I637-N641 WeakPolarHBondContact CG2-O 3.31Å; I637-I642 HydrophobicContact CG1-CG1 4.26Å; I637-H713 WeakPolarHBondContact O-CA 3.4Å; I637-G714 PolarHBondContact N-O 2.81Å; I637-G714 PolarHBondContact O-N 2.76Å; I637-T716 WeakPolarHBondContact CD1-OG1 3.49Å; I637-F761 HydrophobicContact CB-CD2 4.3Å; I637-F761 HydrophobicContact CB-CE2 3.71Å; I637-F761 HydrophobicContact CD1-CE2 3.84Å; I637-F761 HydrophobicContact CD1-CZ 4.14Å; I637-F761 HydrophobicContact CG1-CE2 4.38Å; I637-F761 HydrophobicContact CG2-CD2 3.97Å; I637-F761 HydrophobicContact CG2-CE2 3.63Å
638	N	80.2	Confident	85.2	Confident	44 Å²	44	33.6 Å²	33.6	24%	0.235	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	129	169.8	176.7	37	0	0	0	109.2	G640 N641 I643 K712	N638-G640 VanDerWaalsContact C-N 3.34Å; N638-G640 PolarHBondContact O-N 2.81Å; N638-N641 PolarHBondContact N-O 2.81Å; N638-N641 PolarHBondContact O-N 3.4Å; N638-I643 HydrophobicContact CB-CD1 3.4Å; N638-I643 VanDerWaalsContact CB-CD1 3.4Å; N638-I643 HydrophobicContact CB-CG1 3.99Å; N638-K712 WeakPolarHBondContact CA-O 3.39Å; N638-K712 PolarHBondContact OD1-O 2.85Å
639	A	74.4	Confident	85.1	Confident	49 Å²	49	34.6 Å²	34.6	41%	0.405	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	45	56.7	179.2	0	0	0	0	0	112.5	N641 K712	A639-N641 VanDerWaalsContact C-N 3.27Å; A639-N641 PolarHBondContact O-N 3.46Å; A639-N641 PolarHBondContact O-ND2 2.82Å; A639-K712 PolarHBondContact N-O 3.27Å
640	G	70.9	Confident	84.8	Confident	19 Å²	19	34.7 Å²	34.7	20%	0.196	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	-1.8	178.4	0	0	0	0	0	117	F490 N638	F490-G640 VanDerWaalsContact CE2-O 3.28Å; F490-G640 WeakPolarHBondContact CE2-O 3.1Å; N638-G640 VanDerWaalsContact C-N 3.34Å; N638-G640 PolarHBondContact O-N 2.81Å
641	N	76.7	Confident	84.4	Confident	96 Å²	96	35.6 Å²	35.6	51%	0.513	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	139.3	-173.7	-69.6	-104.3	0	0	0	113.2	E489 I637 N638 A639 I643	E489-N641 WeakPolarHBondContact OE2-CA 3.3Å; I637-N641 CarbonylContact C-O 3.59Å; I637-N641 VanDerWaalsContact CA-O 3.29Å; I637-N641 WeakPolarHBondContact CA-O 3Å; I637-N641 WeakPolarHBondContact CG2-O 3.31Å; N638-N641 PolarHBondContact N-O 2.81Å; N638-N641 PolarHBondContact O-N 3.4Å; A639-N641 VanDerWaalsContact C-N 3.27Å; A639-N641 PolarHBondContact O-N 3.46Å; A639-N641 PolarHBondContact O-ND2 2.82Å; N641-I643 PolarHBondContact O-N 3Å
642	I	80.3	Confident	84	Confident	24 Å²	24	42 Å²	42	12%	0.123	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	110	175.9	-57.2	171	0	0	0	109.6	E489 F490 C635 I637	E489-I642 HydrophobicContact CG-CD1 4.38Å; E489-I642 WeakPolarHBondContact OE2-CG1 3.49Å; E489-I642 PolarHBondContact OE2-N 3.01Å; F490-I642 HydrophobicContact CE1-CD1 4.02Å; F490-I642 HydrophobicContact CE1-CG1 4.07Å; F490-I642 HydrophobicContact CE2-CD1 4.37Å; F490-I642 HydrophobicContact CE2-CG1 3.95Å; F490-I642 HydrophobicContact CZ-CD1 3.77Å; F490-I642 HydrophobicContact CZ-CG1 3.36Å; C635-I642 HydrophobicContact CB-CG2 4.28Å; I637-I642 HydrophobicContact CG1-CG1 4.26Å
643	I	83.4	Confident	83.2	Confident	82 Å²	82	43 Å²	43	42%	0.421	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	-45.7	168.9	-64.6	174.5	0	0	0	109.9	L636 N638 N641 P699	L636-I643 HydrophobicContact CD2-CB 4.3Å; L636-I643 HydrophobicContact CD2-CD1 4.22Å; L636-I643 HydrophobicContact CD2-CG2 4.37Å; L636-I643 PolarHBondContact O-N 2.89Å; N638-I643 HydrophobicContact CB-CD1 3.4Å; N638-I643 VanDerWaalsContact CB-CD1 3.4Å; N638-I643 HydrophobicContact CB-CG1 3.99Å; N641-I643 PolarHBondContact O-N 3Å; I643-P699 HydrophobicContact CD1-CG 4.01Å
644	K	87.6	Confident	82	Confident	106 Å²	106	46.4 Å²	46.4	46%	0.461	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	125.9	-172.4	-168.1	173.8	-174.4	-178.5	0	112	C635 L636 I646 F696	C635-K644 CarbonylContact C-O 3.45Å; C635-K644 WeakPolarHBondContact CA-O 3.29Å; L636-K644 PolarHBondContact N-O 2.97Å; L636-K644 PolarHBondContact O-N 2.81Å; K644-I646 HydrophobicContact CD-CD1 4.25Å; K644-I646 HydrophobicContact CD-CG1 4.43Å; K644-I646 HydrophobicContact CG-CG1 4.27Å; K644-F696 HydrophobicContact CB-CD1 4.24Å; K644-F696 HydrophobicContact CB-CE1 4.14Å; K644-F696 HydrophobicContact CD-CD1 4.2Å; K644-F696 HydrophobicContact CD-CE1 4.46Å; K644-F696 HydrophobicContact CG-CD1 4.42Å; K644-F696 HydrophobicContact CG-CE1 4.25Å; K644-F696 WeakPolarHBondContact O-CE1 3.49Å
645	S	87.9	Confident	80.8	Confident	40 Å²	40	48.8 Å²	48.8	28%	0.28	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	140.6	167.5	173.8	0	0	0	0	110.3	W461	W461-S645 WeakPolarHBondContact CB-OG 3.37Å; W461-S645 VanDerWaalsContact O-CB 3.29Å; W461-S645 WeakPolarHBondContact O-CB 3.42Å; W461-S645 PolarHBondContact O-OG 2.91Å
646	I	89.4	Confident	79.3	Confident	44 Å²	44	55.2 Å²	55.2	23%	0.226	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	123.7	173.3	-62.4	176	0	0	0	108.1	H633 T634 K644 A648 V694 H695 F696	H633-I646 WeakPolarHBondContact CA-O 3.42Å; T634-I646 PolarHBondContact N-O 3.28Å; T634-I646 PolarHBondContact O-N 2.8Å; K644-I646 HydrophobicContact CD-CD1 4.25Å; K644-I646 HydrophobicContact CD-CG1 4.43Å; K644-I646 HydrophobicContact CG-CG1 4.27Å; I646-A648 PolarHBondContact O-N 2.84Å; I646-V694 HydrophobicContact CB-CG1 3.91Å; I646-V694 HydrophobicContact CD1-CG1 3.7Å; I646-V694 HydrophobicContact CG1-CG1 4.32Å; I646-V694 HydrophobicContact CG2-CG1 4.03Å; I646-V694 HydrophobicContact CG2-CG2 4.43Å; I646-H695 WeakPolarHBondContact CD1-O 3.21Å; I646-F696 HydrophobicContact CD1-CD1 4Å; I646-F696 HydrophobicContact CD1-CE1 3.66Å; I646-F696 HydrophobicContact CD1-CZ 4.19Å; I646-F696 HydrophobicContact CG1-CE1 3.96Å; I646-F696 HydrophobicContact CG1-CZ 4.43Å
647	K	89	Confident	77.5	Confident	102 Å²	102	66 Å²	66	44%	0.443	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	114.5	166.7	-174.3	178.5	179.7	-172.9	0	108.4	V632 T650	V632-K647 CarbonylContact O-C 3.57Å; K647-T650 VanDerWaalsContact CE-OG1 3.25Å; K647-T650 WeakPolarHBondContact CE-OG1 3.48Å; K647-T650 PolarHBondContact NZ-OG1 2.84Å
648	A	81.1	Confident	75.8	Confident	18 Å²	18	72.2 Å²	72.2	15%	0.149	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-44.4	-175.8	0	0	0	0	0	112.1	V632 I646 V694	V632-A648 HydrophobicContact CB-CB 4.38Å; V632-A648 HydrophobicContact CG1-CB 4.3Å; V632-A648 PolarHBondContact O-N 3.02Å; I646-A648 PolarHBondContact O-N 2.84Å; A648-V694 HydrophobicContact CB-CG2 3.47Å; A648-V694 VanDerWaalsContact CB-CG2 3.47Å
649	T	84.9	Confident	73.9	Confident	37 Å²	37	74.9 Å²	74.9	23%	0.227	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	165.4	177.4	-167.5	0	0	0	0	113	V632 I651 C692	V632-T649 HydrophobicContact CB-CG2 4.02Å; V632-T649 HydrophobicContact CG2-CG2 3.84Å; V632-T649 PolarHBondContact N-O 3.05Å; V632-T649 PolarHBondContact O-N 3.19Å; T649-I651 HydrophobicContact CG2-CD1 4.44Å; T649-I651 HydrophobicContact CG2-CG1 4.02Å; T649-C692 HydrophobicContact CG2-CB 4.17Å; T649-C692 VanDerWaalsContact CG2-SG 3.6Å
650	T	83	Confident	72.2	Confident	39 Å²	39	81.7 Å²	81.7	24%	0.239	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131	157.5	-83.4	0	0	0	0	107.8	E629 M630 K647 H652	E629-T650 HydrophobicContact CG-CG2 3.49Å; E629-T650 VanDerWaalsContact CG-CG2 3.49Å; E629-T650 VanDerWaalsContact OE1-CG2 3.27Å; E629-T650 WeakPolarHBondContact OE1-CG2 3.48Å; E629-T650 PolarHBondContact OE1-OG1 2.89Å; M630-T650 CarbonylContact O-C 3.58Å; M630-T650 WeakPolarHBondContact O-CA 3.29Å; K647-T650 VanDerWaalsContact CE-OG1 3.25Å; K647-T650 WeakPolarHBondContact CE-OG1 3.48Å; K647-T650 PolarHBondContact NZ-OG1 2.84Å; T650-H652 VanDerWaalsContact CG2-NE2 3.29Å; T650-H652 WeakPolarHBondContact CG2-NE2 3.45Å
651	I	81.9	Confident	70.6	Confident	21 Å²	21	89 Å²	89	11%	0.108	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	129.1	170.6	-52	162.6	0	0	0	106.7	I603 M630 V632 T649 F687 L689	I603-I651 HydrophobicContact CD1-CD1 4.35Å; M630-I651 HydrophobicContact CB-CB 4.31Å; M630-I651 PolarHBondContact N-O 2.93Å; M630-I651 PolarHBondContact O-N 3.12Å; V632-I651 HydrophobicContact CG2-CD1 4.28Å; T649-I651 HydrophobicContact CG2-CD1 4.44Å; T649-I651 HydrophobicContact CG2-CG1 4.02Å; I651-F687 HydrophobicContact CG2-CD1 4.45Å; I651-L689 HydrophobicContact CD1-CD1 4.11Å; I651-L689 HydrophobicContact CD1-CD2 3.69Å; I651-L689 HydrophobicContact CG1-CD2 3.84Å
652	H	80.8	Confident	68.6	Low	137 Å²	137	90 Å²	90	63%	0.634	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	120	172.1	-68.5	-74.2	0	0	0	109.2	T650 P654	T650-H652 VanDerWaalsContact CG2-NE2 3.29Å; T650-H652 WeakPolarHBondContact CG2-NE2 3.45Å; H652-P654 WeakPolarHBondContact O-CD 3.43Å
653	Y	73.7	Confident	66.4	Low	21 Å²	21	98.3 Å²	98.3	8%	0.082	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	118.6	169.3	-157.4	-107.3	0	0	0	108.8	S627 Y628 F687	S627-Y653 WeakPolarHBondContact CA-O 3.43Å; S627-Y653 VanDerWaalsContact CB-O 3.25Å; S627-Y653 WeakPolarHBondContact CB-O 3.2Å; Y628-Y653 HydrophobicContact CD1-CD1 4.05Å; Y628-Y653 HydrophobicContact CD1-CG 4.34Å; Y628-Y653 AromaticContact CE1-CD1 3.32Å; Y628-Y653 HydrophobicContact CE1-CD1 3.32Å; Y628-Y653 HydrophobicContact CE1-CE1 4.09Å; Y628-Y653 AromaticContact CE1-CG 3.7Å; Y628-Y653 HydrophobicContact CE1-CG 3.7Å; Y628-Y653 HydrophobicContact CE2-CD1 4.45Å; Y628-Y653 AromaticContact CE2-CG 3.97Å; Y628-Y653 HydrophobicContact CE2-CG 3.97Å; Y628-Y653 AromaticContact CZ-CD1 3.57Å; Y628-Y653 AromaticContact CZ-CG 3.48Å; Y628-Y653 VanDerWaalsContact CZ-CG 3.48Å; Y628-Y653 PolarHBondContact N-O 2.83Å; Y628-Y653 PolarHBondContact O-N 2.75Å; Y653-F687 AromaticContact CD2-CE1 3.6Å; Y653-F687 HydrophobicContact CD2-CE1 3.6Å; Y653-F687 AromaticContact CD2-CZ 3.62Å; Y653-F687 HydrophobicContact CD2-CZ 3.62Å; Y653-F687 AromaticContact CE2-CE1 3.68Å; Y653-F687 HydrophobicContact CE2-CE1 3.68Å; Y653-F687 AromaticContact CE2-CZ 3.58Å; Y653-F687 HydrophobicContact CE2-CZ 3.58Å
654	P	66.1	Low	64.1	Low	90 Å²	90	99.3 Å²	99.3	58%	0.584	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-73	144	175	30.7	-33.4	0	0	0	110.2	H652 R656	H652-P654 WeakPolarHBondContact O-CD 3.43Å; P654-R656 PolarHBondContact O-N 2.82Å; P654-R656 VanDerWaalsContact O-N 3.13Å
655	S	65.4	Low	61.4	Low	50 Å²	50	101.3 Å²	101.3	35%	0.35	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-62.7	116.2	167.7	167.6	0	0	0	0	108.1	N625 R657	N625-S655 WeakPolarHBondContact O-CB 3.46Å; N625-S655 PolarHBondContact O-OG 2.92Å; S655-R657 PolarHBondContact O-N 3.07Å
656	R	58.8	Low	58.9	Low	136 Å²	136	105.5 Å²	105.5	51%	0.513	53%	0.534	S	S	.	.			trans	-70.3	85.9	164.7	-67	-167.7	-171.9	-148.7	5.9	107.6	P654 N658	P654-R656 PolarHBondContact O-N 2.82Å; P654-R656 VanDerWaalsContact O-N 3.13Å; R656-N658 PolarHBondContact O-N 3.11Å
657	R	49.5	Very low	56.3	Low	226 Å²	226	109.7 Å²	109.7	85%	0.853	56%	0.557	S	S	*	*			trans	-60.9	108.3	157.6	-77.2	-174	175.4	-177.6	-1.4	106.4	S655 S659	S655-R657 PolarHBondContact O-N 3.07Å; R657-S659 PolarHBondContact O-N 3.5Å
658	N	46.8	Very low	53.6	Low	136 Å²	136	111.8 Å²	111.8	73%	0.727	57%	0.573	S	S	*	*			trans	-53.6	113.8	158.2	-74.6	-1	0	0	0	106.2	R656 K660	R656-N658 PolarHBondContact O-N 3.11Å; N658-K660 PolarHBondContact O-N 3.28Å
659	S	40.9	Very low	51.2	Low	100 Å²	100	115.7 Å²	115.7	70%	0.699	60%	0.599	S	S	*	*			trans	-59	112.3	166.9	46.2	0	0	0	0	106.5	R657 H661	R657-S659 PolarHBondContact O-N 3.5Å; S659-H661 PolarHBondContact O-N 3.26Å
660	K	38.8	Very low	48.7	Very low	192 Å²	192	119.9 Å²	119.9	84%	0.835	63%	0.625	S	S	*	*			trans	-61.9	90	154.2	-74.1	-167.9	173.6	-165.1	0	105.8	N658 N662	N658-K660 PolarHBondContact O-N 3.28Å; K660-N662 PolarHBondContact O-N 2.95Å; K660-N662 VanDerWaalsContact O-N 3.16Å
661	H	36.8	Very low	46.2	Very low	172 Å²	172	126.6 Å²	126.6	80%	0.796	65%	0.654	S	S	*	*			trans	-57	115.6	149.6	-118	-58.5	0	0	0	103.9	S659 E663	S659-H661 PolarHBondContact O-N 3.26Å; H661-E663 PolarHBondContact O-N 3.46Å
662	N	35.2	Very low	43.8	Very low	117 Å²	117	133.6 Å²	133.6	63%	0.626	69%	0.691	S	S	*	*			trans	-61.5	130.1	176.6	-68.9	-23.1	0	0	0	107.3	K660 T664	K660-N662 PolarHBondContact O-N 2.95Å; K660-N662 VanDerWaalsContact O-N 3.16Å; N662-T664 HydrophobicContact CB-CG2 4Å; N662-T664 PolarHBondContact O-N 2.93Å
663	E	33	Very low	41.3	Very low	199 Å²	199	135.7 Å²	135.7	93%	0.93	70%	0.699	S	S	*	*			trans	-66.5	81.9	156.6	-68.4	164.7	132.3	0	0	106.3	H661	H661-E663 PolarHBondContact O-N 3.46Å
664	T	35.8	Very low	39.2	Very low	102 Å²	102	142.3 Å²	142.3	63%	0.626	74%	0.735	S	S	*	*			trans	-90.8	116.2	162.9	46.6	0	0	0	0	107.2	N662 V666	N662-T664 HydrophobicContact CB-CG2 4Å; N662-T664 PolarHBondContact O-N 2.93Å; T664-V666 PolarHBondContact O-N 3.14Å; T664-V666 VanDerWaalsContact O-N 3.16Å
665	D	31.1	Very low	37.3	Very low	149 Å²	149	148.9 Å²	148.9	80%	0.797	75%	0.749	S	S	*	*			trans	-51.5	118.4	-179.9	-60	-81.5	0	0	0	112
666	V	36	Very low	35.5	Very low	127 Å²	127	155.2 Å²	155.2	77%	0.77	77%	0.773	S	S	*	*			trans	-120.2	83	161.3	-174.8	0	0	0	0	107.2	T664	T664-V666 PolarHBondContact O-N 3.14Å; T664-V666 VanDerWaalsContact O-N 3.16Å
667	N	33.4	Very low	34	Very low	133 Å²	133	152.6 Å²	152.6	71%	0.711	78%	0.781	S	S	*	*			trans	-63.9	144.5	161.1	-79.7	-53.3	0	0	0	109.1
668	N	32.2	Very low	32.9	Very low	146 Å²	146	151.6 Å²	151.6	78%	0.781	78%	0.783	S	S	*	*			trans	73.4	132.5	176.9	-46.7	-35.6	0	0	0	114.2
669	S	31.2	Very low	32	Very low	100 Å²	100	150.8 Å²	150.8	70%	0.699	78%	0.783	S	S	*	*			cis	-160.4	179.9	-0.2	54.3	0	0	0	0	112.1
670	T	32.9	Very low	31.4	Very low	125 Å²	125	151.8 Å²	151.8	77%	0.767	79%	0.785	S	S	*	*			trans	62.5	92.3	160.3	46.2	0	0	0	0	117.3
671	E	29.5	Very low	31	Very low	179 Å²	179	151.3 Å²	151.3	84%	0.836	79%	0.786	S	S	*	*			trans	11.8	116.5	134.2	-56.2	-174.5	114.7	0	0	118.3
672	N	32.6	Very low	30.9	Very low	168 Å²	168	149.1 Å²	149.1	90%	0.898	79%	0.785	S	S	*	*				-150.5	130.2	122.5	-117.1	-48.1	0	0	0	111.1
673	K	28.6	Very low	31.4	Very low	182 Å²	182	149.7 Å²	149.7	79%	0.791	78%	0.781	S	S	*	*			trans	-88.9	106.7	178.8	-72.5	171.2	-179.3	161.6	0	109.5
674	L	29.3	Very low	31.9	Very low	160 Å²	160	143.9 Å²	143.9	84%	0.838	76%	0.763	S	S	*	*			trans	-118.3	129.5	153.3	-130.7	78.9	0	0	0	109.4	E676	L674-E676 VanDerWaalsContact C-N 3.35Å; L674-E676 PolarHBondContact O-N 2.94Å; L674-E676 VanDerWaalsContact O-N 3.08Å
675	Y	26.6	Very low	32.9	Very low	228 Å²	228	140.6 Å²	140.6	89%	0.894	74%	0.742	S	S	*	*			trans	-79.6	81.6	175.1	-83	-101.1	0	0	0	109.6	A677	Y675-A677 PolarHBondContact O-N 3.24Å
676	E	27.7	Very low	34.1	Very low	182 Å²	182	137 Å²	137	85%	0.85	72%	0.722	S	S	*	*			trans	-71.1	125.9	158	-73	-158.3	128.5	0	0	109	L674	L674-E676 VanDerWaalsContact C-N 3.35Å; L674-E676 PolarHBondContact O-N 2.94Å; L674-E676 VanDerWaalsContact O-N 3.08Å
677	A	27	Very low	35.3	Very low	81 Å²	81	132.4 Å²	132.4	67%	0.669	69%	0.692	S	S	*	*			trans	-66.5	146.3	-173.5	0	0	0	0	0	111	Y675 T679	Y675-A677 PolarHBondContact O-N 3.24Å; A677-T679 PolarHBondContact O-N 2.97Å
678	K	26.6	Very low	36.7	Very low	205 Å²	205	131.7 Å²	131.7	89%	0.891	69%	0.693	S	S	*	*			trans	-68	76.9	163.5	-71.4	-178.9	178.1	177	0	109.6	T680	K678-T680 VanDerWaalsContact C-N 3.3Å; K678-T680 PolarHBondContact O-N 3.41Å
679	T	27.4	Very low	38.4	Very low	120 Å²	120	125.8 Å²	125.8	74%	0.736	66%	0.661	S	S	*	*			trans	-63.7	96	160.5	37.5	0	0	0	0	107.5	A677 E681	A677-T679 PolarHBondContact O-N 2.97Å; T679-E681 PolarHBondContact O-N 3.05Å
680	T	28.6	Very low	39.6	Very low	121 Å²	121	124 Å²	124	74%	0.742	65%	0.652	S	S	*	*			trans	-65.2	87.6	165.7	40.8	0	0	0	0	108	K678 T682	K678-T680 VanDerWaalsContact C-N 3.3Å; K678-T680 PolarHBondContact O-N 3.41Å; T680-T682 VanDerWaalsContact C-N 3.35Å; T680-T682 PolarHBondContact O-N 3.08Å
681	E	28.9	Very low	41.1	Very low	182 Å²	182	124.1 Å²	124.1	85%	0.85	65%	0.648	S	S	*	*			trans	-54.8	100.1	171.3	-75.7	-157.9	145	0	0	108.7	T679 K683	T679-E681 PolarHBondContact O-N 3.05Å; E681-K683 PolarHBondContact O-N 2.87Å
682	T	34.6	Very low	43.5	Very low	126 Å²	126	115.7 Å²	115.7	77%	0.773	61%	0.609	S	S	*	*			trans	-69.2	97	179.6	30.5	0	0	0	0	108.2	T680 S684	T680-T682 VanDerWaalsContact C-N 3.35Å; T680-T682 PolarHBondContact O-N 3.08Å; T682-S684 WeakPolarHBondContact O-CA 3.35Å; T682-S684 PolarHBondContact O-N 3.06Å
683	K	46.1	Very low	46	Very low	128 Å²	128	113.9 Å²	113.9	56%	0.557	59%	0.593	S	S	*	*			trans	-27.4	90.7	177.6	-64	173.8	-179.1	170.9	0	112	N624 E681 N685	N624-K683 PolarHBondContact ND2-NZ 3.4Å; E681-K683 PolarHBondContact O-N 2.87Å; K683-N685 PolarHBondContact O-N 2.88Å; K683-N685 VanDerWaalsContact O-N 3.09Å
684	S	43.6	Very low	48.9	Very low	77 Å²	77	105.4 Å²	105.4	54%	0.538	56%	0.557	S	S	.	*			trans	-80.4	100.9	-173.3	46.3	0	0	0	0	109.4	T682 N686	T682-S684 WeakPolarHBondContact O-CA 3.35Å; T682-S684 PolarHBondContact O-N 3.06Å; S684-N686 PolarHBondContact O-N 3.34Å
685	N	57.4	Low	51.8	Low	34 Å²	34	101.7 Å²	101.7	18%	0.182	54%	0.535	C	S	.	.			trans	-73.6	51	173	-73.3	-6.6	0	0	0	110.7	R604 L606 K683	R604-N685 VanDerWaalsContact CA-O 3.31Å; R604-N685 WeakPolarHBondContact CA-O 2.91Å; L606-N685 HydrophobicContact CB-CB 4.28Å; L606-N685 PolarHBondContact O-ND2 3.03Å; K683-N685 PolarHBondContact O-N 2.88Å; K683-N685 VanDerWaalsContact O-N 3.09Å
686	N	56.5	Low	54.7	Low	73 Å²	73	90.8 Å²	90.8	39%	0.39	49%	0.492	S	S	.	.			trans	-110	129.1	-172.9	-61.9	24.4	0	0	0	109.7	I603 R604 S684	I603-N686 CarbonylContact O-C 3.59Å; I603-N686 WeakPolarHBondContact O-CA 3.3Å; R604-N686 HydrophobicContact CB-CB 4.2Å; S684-N686 PolarHBondContact O-N 3.34Å
687	F	60.9	Low	57.3	Low	30 Å²	30	86.3 Å²	86.3	13%	0.132	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	104.6	-172.7	-58.6	-78.8	0	0	0	109.8	E602 I603 I651 Y653 L689	E602-F687 CarbonylContact C-O 3.58Å; E602-F687 VanDerWaalsContact CA-O 3.22Å; E602-F687 WeakPolarHBondContact CA-O 3.15Å; I603-F687 HydrophobicContact CB-CD2 4.42Å; I603-F687 PolarHBondContact N-O 2.99Å; I603-F687 PolarHBondContact O-N 2.71Å; I651-F687 HydrophobicContact CG2-CD1 4.45Å; Y653-F687 AromaticContact CD2-CE1 3.6Å; Y653-F687 HydrophobicContact CD2-CE1 3.6Å; Y653-F687 AromaticContact CD2-CZ 3.62Å; Y653-F687 HydrophobicContact CD2-CZ 3.62Å; Y653-F687 AromaticContact CE2-CE1 3.68Å; Y653-F687 HydrophobicContact CE2-CE1 3.68Å; Y653-F687 AromaticContact CE2-CZ 3.58Å; Y653-F687 HydrophobicContact CE2-CZ 3.58Å; F687-L689 HydrophobicContact CB-CD2 4.5Å
688	T	62.1	Low	59.7	Low	119 Å²	119	83.6 Å²	83.6	73%	0.73	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	126	167.9	45.1	0	0	0	0	109.9	E602	E602-T688 HydrophobicContact CG-CG2 4.41Å
689	L	68.7	Low	61.5	Low	21 Å²	21	76.8 Å²	76.8	11%	0.11	43%	0.432	C	S	.	.			trans	-112.3	95.5	-171.5	-64.5	178.5	0	0	0	110.5	I600 H601 I603 I651 F687 D691 C692	I600-L689 HydrophobicContact CG2-CD1 4Å; H601-L689 PolarHBondContact O-N 2.9Å; I603-L689 HydrophobicContact CD1-CD1 3.89Å; I603-L689 HydrophobicContact CG1-CD1 4.13Å; I651-L689 HydrophobicContact CD1-CD1 4.11Å; I651-L689 HydrophobicContact CD1-CD2 3.69Å; I651-L689 HydrophobicContact CG1-CD2 3.84Å; F687-L689 HydrophobicContact CB-CD2 4.5Å; L689-D691 PolarHBondContact O-N 3.46Å; L689-C692 HydrophobicContact CB-CB 3.9Å; L689-C692 HydrophobicContact CD1-CB 4.17Å
690	A	56.4	Low	62.9	Low	62 Å²	62	75.9 Å²	75.9	51%	0.512	43%	0.426	S	S	.	.	S	Bend	trans	-56.1	-54	-179.8	0	0	0	0	0	112.3	R599	R599-A690 PolarHBondContact NE-O 3.4Å; R599-A690 PolarHBondContact NH2-O 3.08Å
691	D	63.3	Low	63.9	Low	128 Å²	128	73 Å²	73	68%	0.684	41%	0.408	S	S	*	.	S	Bend	trans	-108.5	15.1	-164.7	-61.1	-46.1	0	0	0	115.1	L689 F693	L689-D691 PolarHBondContact O-N 3.46Å; D691-F693 VanDerWaalsContact C-N 3.31Å; D691-F693 WeakPolarHBondContact O-CD1 3.45Å; D691-F693 PolarHBondContact O-N 3.05Å
692	C	80.7	Confident	64.5	Low	3 Å²	3	73 Å²	73	2%	0.02	41%	0.406	C	S	.	.			trans	-80.9	72.8	-178.3	-162.7	0	0	0	0	112.3	R599 I600 T649 L689	R599-C692 WeakPolarHBondContact CA-O 3.47Å; R599-C692 WeakPolarHBondContact CG-O 3.32Å; I600-C692 HydrophobicContact CB-CB 4.22Å; I600-C692 PolarHBondContact N-O 3.09Å; T649-C692 HydrophobicContact CG2-CB 4.17Å; T649-C692 VanDerWaalsContact CG2-SG 3.6Å; L689-C692 HydrophobicContact CB-CB 3.9Å; L689-C692 HydrophobicContact CD1-CB 4.17Å
693	F	85.3	Confident	64.7	Low	129 Å²	129	77.2 Å²	77.2	57%	0.566	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	148	177	78	-86.7	0	0	0	112.8	I598 R599 D691	I598-F693 CarbonylContact O-C 3.57Å; I598-F693 WeakPolarHBondContact O-CA 3.43Å; R599-F693 HydrophobicContact CB-CB 4.32Å; R599-F693 HydrophobicContact CG-CB 4.27Å; D691-F693 VanDerWaalsContact C-N 3.31Å; D691-F693 WeakPolarHBondContact O-CD1 3.45Å; D691-F693 PolarHBondContact O-N 3.05Å
694	V	89	Confident	64.3	Low	4 Å²	4	72.8 Å²	72.8	2%	0.024	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	139.2	-179.7	-177.5	0	0	0	0	110	N597 I598 T634 I646 A648 F696	N597-V694 WeakPolarHBondContact CA-O 3.46Å; I598-V694 PolarHBondContact N-O 3.19Å; I598-V694 PolarHBondContact O-N 3.08Å; T634-V694 HydrophobicContact CG2-CG1 4.47Å; I646-V694 HydrophobicContact CB-CG1 3.91Å; I646-V694 HydrophobicContact CD1-CG1 3.7Å; I646-V694 HydrophobicContact CG1-CG1 4.32Å; I646-V694 HydrophobicContact CG2-CG1 4.03Å; I646-V694 HydrophobicContact CG2-CG2 4.43Å; A648-V694 HydrophobicContact CB-CG2 3.47Å; A648-V694 VanDerWaalsContact CB-CG2 3.47Å; V694-F696 HydrophobicContact CB-CE2 4.47Å; V694-F696 HydrophobicContact CG1-CD2 4.08Å; V694-F696 HydrophobicContact CG1-CE1 4.3Å; V694-F696 HydrophobicContact CG1-CE2 3.45Å; V694-F696 VanDerWaalsContact CG1-CE2 3.45Å; V694-F696 HydrophobicContact CG1-CZ 3.58Å
695	H	89.5	Confident	64.2	Low	82 Å²	82	75.9 Å²	75.9	38%	0.38	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	126.4	177.4	-172.5	67.8	0	0	0	111.6	F595 I646	F595-H695 AromaticContact CD2-CE1 3.71Å; F595-H695 AromaticContact CG-CE1 3.58Å; I646-H695 WeakPolarHBondContact CD1-O 3.21Å
696	F	88.4	Confident	63.3	Low	0 Å²	0	77.6 Å²	77.6	0%	0	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.2	173.4	-62	-75.9	0	0	0	110.1	F595 V596 I598 T634 L636 K644 I646 V694 L698	F595-F696 CarbonylContact C-O 3.58Å; F595-F696 VanDerWaalsContact CA-O 3.29Å; F595-F696 WeakPolarHBondContact CA-O 3.3Å; F595-F696 WeakPolarHBondContact CB-O 3.35Å; V596-F696 PolarHBondContact N-O 2.86Å; V596-F696 PolarHBondContact O-N 2.9Å; I598-F696 HydrophobicContact CD1-CD2 4.45Å; I598-F696 HydrophobicContact CD1-CE2 4.32Å; T634-F696 HydrophobicContact CG2-CE2 3.71Å; T634-F696 HydrophobicContact CG2-CZ 3.95Å; L636-F696 HydrophobicContact CB-CD1 3.63Å; L636-F696 HydrophobicContact CB-CD2 4.37Å; L636-F696 HydrophobicContact CB-CE1 3.73Å; L636-F696 HydrophobicContact CB-CE2 4.45Å; L636-F696 HydrophobicContact CB-CG 3.97Å; L636-F696 HydrophobicContact CB-CZ 4.15Å; L636-F696 HydrophobicContact CD2-CB 4.24Å; L636-F696 HydrophobicContact CD2-CD1 4.37Å; L636-F696 HydrophobicContact CD2-CG 4.45Å; K644-F696 HydrophobicContact CB-CD1 4.24Å; K644-F696 HydrophobicContact CB-CE1 4.14Å; K644-F696 HydrophobicContact CD-CD1 4.2Å; K644-F696 HydrophobicContact CD-CE1 4.46Å; K644-F696 HydrophobicContact CG-CD1 4.42Å; K644-F696 HydrophobicContact CG-CE1 4.25Å; K644-F696 WeakPolarHBondContact O-CE1 3.49Å; I646-F696 HydrophobicContact CD1-CD1 4Å; I646-F696 HydrophobicContact CD1-CE1 3.66Å; I646-F696 HydrophobicContact CD1-CZ 4.19Å; I646-F696 HydrophobicContact CG1-CE1 3.96Å; I646-F696 HydrophobicContact CG1-CZ 4.43Å; V694-F696 HydrophobicContact CB-CE2 4.47Å; V694-F696 HydrophobicContact CG1-CD2 4.08Å; V694-F696 HydrophobicContact CG1-CE1 4.3Å; V694-F696 HydrophobicContact CG1-CE2 3.45Å; V694-F696 VanDerWaalsContact CG1-CE2 3.45Å; V694-F696 HydrophobicContact CG1-CZ 3.58Å; F696-L698 PolarHBondContact O-N 2.85Å
697	S	83.1	Confident	62.4	Low	88 Å²	88	83 Å²	83	62%	0.615	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	121.9	153.8	-45	0	0	0	0	107.6	G594	G594-S697 CarbonylContact O-C 3.58Å
698	L	75.8	Confident	61.4	Low	23 Å²	23	87.7 Å²	87.7	12%	0.12	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-71	141.2	167.8	-64.2	176	0	0	0	108.3	G594 V596 L636 F696 T700	G594-L698 PolarHBondContact O-N 3.45Å; V596-L698 HydrophobicContact CG2-CD1 4.01Å; V596-L698 HydrophobicContact CG2-CD2 3.98Å; V596-L698 HydrophobicContact CG2-CG 4.08Å; L636-L698 HydrophobicContact CD1-CD2 3.89Å; L636-L698 HydrophobicContact CD2-CD2 4.17Å; F696-L698 PolarHBondContact O-N 2.85Å; L698-T700 PolarHBondContact O-N 2.85Å; L698-T700 VanDerWaalsContact O-N 3.08Å
699	P	65.2	Low	60.4	Low	62 Å²	62	90.4 Å²	90.4	40%	0.403	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-61.2	116.5	175.6	26.4	-34.4	0	0	0	109.7	I643 V701	I643-P699 HydrophobicContact CD1-CG 4.01Å; P699-V701 PolarHBondContact O-N 2.86Å; P699-V701 VanDerWaalsContact O-N 3.11Å
700	T	57.2	Low	59.4	Low	102 Å²	102	93.3 Å²	93.3	63%	0.626	51%	0.512	S	S	*	.			trans	-67.2	112.2	174.3	50.4	0	0	0	0	108.8	L698 K702	L698-T700 PolarHBondContact O-N 2.85Å; L698-T700 VanDerWaalsContact O-N 3.08Å; T700-K702 PolarHBondContact O-N 2.88Å
701	V	49.9	Very low	59.4	Low	60 Å²	60	92 Å²	92	36%	0.364	50%	0.498	S	S	.	.			trans	-71.7	79.5	177.4	-173.1	0	0	0	0	108.8	P699 K703	P699-V701 PolarHBondContact O-N 2.86Å; P699-V701 VanDerWaalsContact O-N 3.11Å; V701-K703 PolarHBondContact O-N 3.49Å; V701-K703 VanDerWaalsContact O-N 3.15Å
702	K	40	Very low	59.8	Low	183 Å²	183	89.2 Å²	89.2	80%	0.796	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	120.2	178.4	-70.9	-178.2	178.2	178.3	0	109	T700	T700-K702 PolarHBondContact O-N 2.88Å
703	K	39.6	Very low	59.7	Low	213 Å²	213	89.9 Å²	89.9	93%	0.926	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	33.8	168.6	-48.2	-177.4	178	-175.8	0	119.1	V701	V701-K703 PolarHBondContact O-N 3.49Å; V701-K703 VanDerWaalsContact O-N 3.15Å
704	S	38	Very low	59.6	Low	36 Å²	36	83.7 Å²	83.7	25%	0.252	46%	0.456	S	S	.	.			trans	-145.3	93.3	159.8	55.2	0	0	0	0	114.9	G706 R707	S704-G706 VanDerWaalsContact C-N 3.26Å; S704-G706 PolarHBondContact O-N 3.44Å; S704-R707 PolarHBondContact O-N 3.19Å
705	V	41	Very low	59.6	Low	142 Å²	142	83.5 Å²	83.5	86%	0.861	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-57.1	-37.9	-179.6	-178.7	0	0	0	0	112.2
706	G	38	Very low	59.4	Low	70 Å²	70	79.7 Å²	79.7	72%	0.722	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-75.9	-17.1	-178.8	0	0	0	0	0	116.5	S704	S704-G706 VanDerWaalsContact C-N 3.26Å; S704-G706 PolarHBondContact O-N 3.44Å
707	R	39	Very low	59.5	Low	185 Å²	185	79.7 Å²	79.7	70%	0.698	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-87.4	-4.3	-175.3	-73.2	-171.4	173.8	-176.5	-1.3	114.6	S704 L709 A710 V711	S704-R707 PolarHBondContact O-N 3.19Å; R707-L709 PolarHBondContact O-N 3.08Å; R707-L709 VanDerWaalsContact O-N 3.14Å; R707-A710 PolarHBondContact O-N 3.21Å; R707-V711 WeakPolarHBondContact O-CG2 3.36Å
708	H	40.2	Very low	59.8	Low	129 Å²	129	75.6 Å²	75.6	60%	0.597	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-61.8	-22.1	-176.9	-88.2	-66.2	0	0	0	114.9
709	L	39.2	Very low	60.4	Low	177 Å²	177	74.5 Å²	74.5	93%	0.927	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-75.2	-18.7	179.6	-81	153.9	0	0	0	114.5	R707	R707-L709 PolarHBondContact O-N 3.08Å; R707-L709 VanDerWaalsContact O-N 3.14Å
710	A	48.2	Very low	61.6	Low	81 Å²	81	72.5 Å²	72.5	67%	0.669	39%	0.387	S	S	*	.	S	Bend	trans	-109.4	1.6	-169.2	0	0	0	0	0	115	R707 K712	R707-A710 PolarHBondContact O-N 3.21Å; A710-K712 PolarHBondContact O-N 2.81Å; A710-K712 VanDerWaalsContact O-N 3.11Å
711	V	56.8	Low	63.2	Low	35 Å²	35	67.6 Å²	67.6	21%	0.212	36%	0.357	C	S	.	.			trans	-86.2	91.9	-169.5	-153.1	0	0	0	0	111.2	R707 H713	R707-V711 WeakPolarHBondContact O-CG2 3.36Å; V711-H713 WeakPolarHBondContact CG1-CE1 3.48Å; V711-H713 PolarHBondContact O-N 2.77Å; V711-H713 PolarHBondContact O-ND1 2.86Å; V711-H713 VanDerWaalsContact O-ND1 3.16Å
712	K	71.5	Confident	65.1	Low	69 Å²	69	68.5 Å²	68.5	30%	0.3	36%	0.356	S	S	.	.			trans	-62.5	66.8	-176.1	-56.5	-176.2	179.9	-173.5	0	114.1	N638 A639 A710 D764	N638-K712 WeakPolarHBondContact CA-O 3.39Å; N638-K712 PolarHBondContact OD1-O 2.85Å; A639-K712 PolarHBondContact N-O 3.27Å; A710-K712 PolarHBondContact O-N 2.81Å; A710-K712 VanDerWaalsContact O-N 3.11Å; K712-D764 WeakPolarHBondContact CD-OD2 3.49Å; K712-D764 WeakPolarHBondContact CE-OD2 3.4Å; K712-D764 IonicContact NZ-OD1 3.86Å; K712-D764 PolarHBondContact NZ-OD1 2.76Å; K712-D764 IonicContact NZ-OD2 2.68Å; K712-D764 PolarHBondContact NZ-OD2 3.43Å
713	H	79.1	Confident	67.5	Low	17 Å²	17	59.8 Å²	59.8	8%	0.079	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	146.6	175.1	-71.4	92.7	0	0	0	111.6	I637 V711 D758 W784	I637-H713 WeakPolarHBondContact O-CA 3.4Å; V711-H713 WeakPolarHBondContact CG1-CE1 3.48Å; V711-H713 PolarHBondContact O-N 2.77Å; V711-H713 PolarHBondContact O-ND1 2.86Å; V711-H713 VanDerWaalsContact O-ND1 3.16Å; H713-D758 PolarHBondContact O-N 2.82Å; H713-W784 HydrophobicContact CB-CZ2 3.79Å
714	G	83.7	Confident	69.8	Low	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	176	168.7	0	0	0	0	0	111.9	I637 F756	I637-G714 PolarHBondContact N-O 2.81Å; I637-G714 PolarHBondContact O-N 2.76Å; G714-F756 CarbonylContact C-O 3.57Å; G714-F756 WeakPolarHBondContact CA-O 3.48Å
715	V	87.4	Confident	72.1	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.4	175.8	171.9	0	0	0	0	109.3	I598 T634 C635 L636 F756 W784	I598-V715 HydrophobicContact CD1-CB 4.34Å; I598-V715 HydrophobicContact CD1-CG1 3.88Å; I598-V715 HydrophobicContact CD1-CG2 3.96Å; T634-V715 HydrophobicContact CG2-CG1 3.46Å; T634-V715 VanDerWaalsContact CG2-CG1 3.46Å; C635-V715 VanDerWaalsContact O-CA 3.29Å; C635-V715 WeakPolarHBondContact O-CA 3.45Å; L636-V715 HydrophobicContact CD1-CG2 4.15Å; V715-F756 HydrophobicContact CB-CD2 4.2Å; V715-F756 HydrophobicContact CB-CE1 4.46Å; V715-F756 HydrophobicContact CB-CE2 3.7Å; V715-F756 HydrophobicContact CB-CZ 3.86Å; V715-F756 HydrophobicContact CG1-CE1 4.17Å; V715-F756 HydrophobicContact CG1-CE2 4Å; V715-F756 HydrophobicContact CG1-CZ 3.62Å; V715-F756 HydrophobicContact CG2-CE2 4.33Å; V715-F756 PolarHBondContact N-O 2.74Å; V715-F756 PolarHBondContact O-N 3.31Å; V715-W784 HydrophobicContact CG2-CH2 4.07Å; V715-W784 HydrophobicContact CG2-CZ3 3.8Å
716	T	86.8	Confident	74.1	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.5	164.8	-60	0	0	0	0	109.1	C635 I637 Y718 E753 C754 H755	C635-T716 PolarHBondContact N-O 2.88Å; C635-T716 PolarHBondContact O-N 2.88Å; I637-T716 WeakPolarHBondContact CD1-OG1 3.49Å; T716-Y718 HydrophobicContact CG2-CD1 4.07Å; T716-Y718 HydrophobicContact CG2-CD2 3.93Å; T716-Y718 HydrophobicContact CG2-CE1 3.67Å; T716-Y718 HydrophobicContact CG2-CE2 3.54Å; T716-Y718 HydrophobicContact CG2-CG 4.17Å; T716-E753 HydrophobicContact CG2-CB 4.45Å; T716-C754 CarbonylContact C-O 3.6Å; T716-C754 WeakPolarHBondContact CA-O 3.5Å; T716-H755 WeakPolarHBondContact CG2-CE1 3.26Å; T716-H755 WeakPolarHBondContact CG2-ND1 3.39Å; T716-H755 PolarHBondContact OG1-ND1 2.91Å
717	I	89.5	Confident	76.4	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.3	163.6	-60.7	167.1	0	0	0	107	M583 V585 I600 V632 T634 I719 E753 C754 F756	M583-I717 HydrophobicContact CE-CB 4.06Å; M583-I717 HydrophobicContact CE-CD1 3.7Å; M583-I717 HydrophobicContact CE-CG1 4.49Å; M583-I717 HydrophobicContact CE-CG2 3.93Å; M583-I717 HydrophobicContact SD-CD1 4.2Å; M583-I717 HydrophobicContact SD-CG2 4.1Å; V585-I717 HydrophobicContact CG1-CD1 4.2Å; V585-I717 HydrophobicContact CG2-CD1 3.87Å; I600-I717 HydrophobicContact CD1-CD1 3.9Å; I600-I717 HydrophobicContact CD1-CG1 4.46Å; I600-I717 HydrophobicContact CD1-CG2 3.89Å; I600-I717 HydrophobicContact CG1-CD1 4.11Å; V632-I717 HydrophobicContact CG1-CG2 3.75Å; T634-I717 HydrophobicContact CG2-CG1 4.06Å; I717-I719 HydrophobicContact CG2-CG1 4.35Å; I717-E753 CarbonylContact O-C 3.53Å; I717-E753 WeakPolarHBondContact O-CA 3.47Å; I717-C754 HydrophobicContact CB-CB 4.47Å; I717-C754 PolarHBondContact N-O 3.41Å; I717-C754 PolarHBondContact O-N 2.8Å; I717-F756 HydrophobicContact CD1-CE1 3.73Å; I717-F756 HydrophobicContact CD1-CZ 4.16Å; I717-F756 HydrophobicContact CG1-CE1 4.12Å
718	Y	88.7	Confident	78.6	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	136	170.6	-71.9	-63.2	0	0	0	110.1	L460 W461 F490 V632 H633 T716 E753	L460-Y718 HydrophobicContact CB-CD1 4.08Å; L460-Y718 HydrophobicContact CB-CD2 4.37Å; L460-Y718 HydrophobicContact CB-CE1 3.69Å; L460-Y718 HydrophobicContact CB-CE2 3.99Å; L460-Y718 HydrophobicContact CB-CG 4.41Å; L460-Y718 HydrophobicContact CD1-CD1 3.86Å; L460-Y718 HydrophobicContact CD1-CE1 3.41Å; L460-Y718 VanDerWaalsContact CD1-CE1 3.41Å; L460-Y718 HydrophobicContact CG-CE1 4.15Å; W461-Y718 HydrophobicContact CB-CD2 4.07Å; W461-Y718 HydrophobicContact CE3-CG 4.36Å; F490-Y718 VanDerWaalsContact CD1-OH 3.31Å; F490-Y718 WeakPolarHBondContact CD1-OH 3.41Å; F490-Y718 HydrophobicContact CE1-CE2 4.5Å; F490-Y718 VanDerWaalsContact CE1-OH 3.25Å; F490-Y718 WeakPolarHBondContact CE1-OH 3.44Å; V632-Y718 CarbonylContact C-O 3.6Å; V632-Y718 WeakPolarHBondContact CA-O 3.33Å; H633-Y718 PolarHBondContact N-O 2.83Å; H633-Y718 PolarHBondContact O-N 2.87Å; T716-Y718 HydrophobicContact CG2-CD1 4.07Å; T716-Y718 HydrophobicContact CG2-CD2 3.93Å; T716-Y718 HydrophobicContact CG2-CE1 3.67Å; T716-Y718 HydrophobicContact CG2-CE2 3.54Å; T716-Y718 HydrophobicContact CG2-CG 4.17Å; Y718-E753 HydrophobicContact CD1-CB 3.8Å; Y718-E753 HydrophobicContact CE1-CB 3.76Å; Y718-E753 VanDerWaalsContact CE1-OE2 3.3Å; Y718-E753 WeakPolarHBondContact CE1-OE2 3.49Å
719	I	89.6	Confident	80.9	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	114.1	173.5	-57.4	173.8	0	0	0	106.5	L579 M583 I603 M630 T631 V632 I717 I751 G752 I801	L579-I719 HydrophobicContact CD1-CB 4.09Å; L579-I719 HydrophobicContact CD1-CG2 3.6Å; L579-I719 WeakPolarHBondContact CD1-O 3.47Å; M583-I719 HydrophobicContact SD-CD1 4.17Å; I603-I719 HydrophobicContact CD1-CD1 4.02Å; M630-I719 HydrophobicContact CE-CG2 3.41Å; M630-I719 VanDerWaalsContact CE-CG2 3.41Å; T631-I719 WeakPolarHBondContact O-CA 3.36Å; V632-I719 HydrophobicContact CG1-CG1 4.42Å; V632-I719 HydrophobicContact CG2-CG1 4.41Å; I717-I719 HydrophobicContact CG2-CG1 4.35Å; I719-I751 CarbonylContact O-C 3.52Å; I719-G752 PolarHBondContact N-O 2.81Å; I719-G752 PolarHBondContact O-N 3.14Å; I719-I801 HydrophobicContact CD1-CD1 3.48Å; I719-I801 VanDerWaalsContact CD1-CD1 3.48Å; I719-I801 HydrophobicContact CD1-CG1 3.84Å; I719-I801 HydrophobicContact CD1-CG2 4.05Å
720	K	90.6	Very high	83.2	Confident	19 Å²	19	28.5 Å²	28.5	8%	0.083	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	108.2	-177.4	-178.3	-108.3	-179.7	65	0	110.4	P458 W461 T631 K722 N749 A750	P458-K720 PolarHBondContact O-NZ 2.9Å; W461-K720 HydrophobicContact CH2-CB 3.73Å; W461-K720 HydrophobicContact CH2-CD 3.78Å; W461-K720 HydrophobicContact CH2-CG 3.68Å; W461-K720 HydrophobicContact CZ3-CB 3.7Å; W461-K720 HydrophobicContact CZ3-CG 4.03Å; T631-K720 PolarHBondContact N-O 2.83Å; T631-K720 PolarHBondContact O-N 2.99Å; T631-K720 WeakPolarHBondContact OG1-CD 3.49Å; T631-K720 PolarHBondContact OG1-O 2.83Å; K720-K722 HydrophobicContact CD-CG 4.29Å; K720-N749 WeakPolarHBondContact CE-OD1 3.37Å; K720-N749 PolarHBondContact NZ-OD1 2.97Å; K720-A750 CarbonylContact C-O 3.54Å; K720-A750 WeakPolarHBondContact CA-O 3.24Å
721	G	89.6	Confident	85.1	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	135.1	170.8	0	0	0	0	0	111.3	E629 N749 A750	E629-G721 CarbonylContact O-C 3.58Å; E629-G721 WeakPolarHBondContact O-CA 3.41Å; G721-N749 WeakPolarHBondContact O-CA 3.37Å; G721-A750 PolarHBondContact N-O 3.48Å; G721-A750 PolarHBondContact O-N 2.84Å
722	K	91	Very high	86.7	Confident	79 Å²	79	36.1 Å²	36.1	34%	0.343	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	105.8	166.9	-66.4	-176.7	-160.5	162	0	107.7	Y628 E629 K720 V747	Y628-K722 WeakPolarHBondContact CB-O 3.37Å; E629-K722 HydrophobicContact CB-CB 4.27Å; E629-K722 HydrophobicContact CB-CD 4.48Å; E629-K722 PolarHBondContact N-O 3.33Å; E629-K722 PolarHBondContact O-N 3.23Å; E629-K722 IonicContact OE1-NZ 2.7Å; E629-K722 WeakPolarHBondContact OE2-CD 3.48Å; E629-K722 WeakPolarHBondContact OE2-CE 3.37Å; E629-K722 IonicContact OE2-NZ 3.33Å; E629-K722 PolarHBondContact OE2-NZ 3.41Å; K720-K722 HydrophobicContact CD-CG 4.29Å; K722-V747 HydrophobicContact CB-CG1 3.72Å; K722-V747 HydrophobicContact CG-CG1 4.39Å
723	L	90.1	Very high	87.5	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	114.9	-173.7	-55.1	-177.1	0	0	0	110.3	I577 F608 L623 Y628 I725 V747 L748 A750	I577-L723 HydrophobicContact CD1-CD1 4.05Å; I577-L723 HydrophobicContact CG2-CD1 4.26Å; F608-L723 HydrophobicContact CD1-CD1 3.93Å; F608-L723 HydrophobicContact CD1-CD2 4.45Å; F608-L723 HydrophobicContact CE1-CD1 4.05Å; F608-L723 HydrophobicContact CE1-CD2 3.75Å; F608-L723 HydrophobicContact CE1-CG 4.46Å; F608-L723 HydrophobicContact CZ-CD2 4.3Å; L623-L723 HydrophobicContact CD1-CD1 3.95Å; L623-L723 HydrophobicContact CD1-CD2 4.35Å; L623-L723 HydrophobicContact CD2-CB 4.41Å; L623-L723 HydrophobicContact CD2-CD1 4.28Å; L623-L723 HydrophobicContact CD2-CD2 4Å; L623-L723 HydrophobicContact CD2-CG 4.47Å; Y628-L723 HydrophobicContact CD1-CD2 4.46Å; Y628-L723 HydrophobicContact CD2-CD2 4.19Å; Y628-L723 HydrophobicContact CG-CD2 3.92Å; L723-I725 HydrophobicContact CB-CD1 3.73Å; L723-I725 HydrophobicContact CB-CG1 3.65Å; L723-I725 HydrophobicContact CB-CG2 4.41Å; L723-I725 HydrophobicContact CD1-CD1 3.81Å; L723-I725 HydrophobicContact CG-CD1 4.45Å; L723-I725 PolarHBondContact O-N 2.88Å; L723-V747 CarbonylContact O-C 3.47Å; L723-V747 WeakPolarHBondContact O-CA 3.47Å; L723-L748 PolarHBondContact N-O 3.15Å; L723-L748 PolarHBondContact O-N 2.82Å; L723-A750 HydrophobicContact CD1-CB 3.86Å; L723-A750 HydrophobicContact CG-CB 4.29Å
724	P	87.5	Confident	87.9	Confident	54 Å²	54	34.2 Å²	34.2	35%	0.351	17%	0.171	S	C	.	.			trans	-77.7	74.7	173.9	32.5	-33	0	0	0	109.5	R626 S627	R626-P724 PolarHBondContact NH1-O 2.88Å; S627-P724 WeakPolarHBondContact O-CD 3.49Å; S627-P724 WeakPolarHBondContact O-CG 3.46Å
725	I	86.1	Confident	88.1	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.			trans	-135.3	26.3	-175.7	61.2	172.8	0	0	0	112.2	I577 I616 L619 L623 L723 D727 L728 L748	I577-I725 HydrophobicContact CD1-CD1 3.87Å; I616-I725 HydrophobicContact CD1-CD1 4.21Å; L619-I725 HydrophobicContact CD1-CD1 3.73Å; L623-I725 HydrophobicContact CD2-CG2 3.73Å; L723-I725 HydrophobicContact CB-CD1 3.73Å; L723-I725 HydrophobicContact CB-CG1 3.65Å; L723-I725 HydrophobicContact CB-CG2 4.41Å; L723-I725 HydrophobicContact CD1-CD1 3.81Å; L723-I725 HydrophobicContact CG-CD1 4.45Å; L723-I725 PolarHBondContact O-N 2.88Å; I725-D727 VanDerWaalsContact C-OD1 3.3Å; I725-D727 WeakPolarHBondContact CA-OD1 3.45Å; I725-D727 PolarHBondContact O-N 2.76Å; I725-L728 HydrophobicContact CB-CB 4.33Å; I725-L728 HydrophobicContact CB-CD1 3.99Å; I725-L728 HydrophobicContact CB-CG 4.29Å; I725-L728 HydrophobicContact CG2-CD1 3.97Å; I725-L728 WeakPolarHBondContact O-CB 3.29Å; I725-L728 PolarHBondContact O-N 2.86Å; I725-L748 HydrophobicContact CD1-CB 4.27Å; I725-L748 HydrophobicContact CD1-CD1 4.02Å; I725-L748 HydrophobicContact CG1-CB 3.99Å; I725-L748 HydrophobicContact CG1-CD1 3.95Å; I725-L748 HydrophobicContact CG1-CG 4.09Å
726	S	83.8	Confident	88.2	Confident	44 Å²	44	38.2 Å²	38.2	31%	0.308	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-63.8	-19.2	178	54.3	0	0	0	0	113.6	L728 I729 I745 R746	S726-L728 VanDerWaalsContact C-N 3.31Å; S726-I729 WeakPolarHBondContact O-CD1 3.46Å; S726-I729 WeakPolarHBondContact O-CG1 3.48Å; S726-I745 WeakPolarHBondContact CB-O 3.33Å; S726-R746 PolarHBondContact OG-O 2.99Å
727	D	85.3	Confident	88.3	Confident	102 Å²	102	38.5 Å²	38.5	55%	0.545	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-75.5	-13.7	170.5	58.1	-55.1	0	0	0	113.8	R626 I725	R626-D727 IonicContact CZ-OD1 3.89Å; R626-D727 IonicContact CZ-OD2 3.21Å; R626-D727 VanDerWaalsContact NH1-CG 3.32Å; R626-D727 IonicContact NH1-OD1 3.51Å; R626-D727 PolarHBondContact NH1-OD1 2.89Å; R626-D727 IonicContact NH1-OD2 2.74Å; R626-D727 PolarHBondContact NH1-OD2 3.34Å; R626-D727 IonicContact NH2-OD1 2.84Å; R626-D727 IonicContact NH2-OD2 3.04Å; R626-D727 PolarHBondContact NH2-OD2 3.35Å; I725-D727 VanDerWaalsContact C-OD1 3.3Å; I725-D727 WeakPolarHBondContact CA-OD1 3.45Å; I725-D727 PolarHBondContact O-N 2.76Å
728	L	86.5	Confident	88.2	Confident	43 Å²	43	44.4 Å²	44.4	23%	0.225	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-100.7	10.6	176.1	-55.8	-179.8	0	0	0	112.9	I616 L622 I725 S726	I616-L728 HydrophobicContact CD1-CB 4.34Å; I616-L728 WeakPolarHBondContact CD1-O 3.45Å; L622-L728 HydrophobicContact CB-CD1 3.83Å; L622-L728 HydrophobicContact CD1-CD1 4.06Å; L622-L728 HydrophobicContact CG-CD1 4.35Å; I725-L728 HydrophobicContact CB-CB 4.33Å; I725-L728 HydrophobicContact CB-CD1 3.99Å; I725-L728 HydrophobicContact CB-CG 4.29Å; I725-L728 HydrophobicContact CG2-CD1 3.97Å; I725-L728 WeakPolarHBondContact O-CB 3.29Å; I725-L728 PolarHBondContact O-N 2.86Å; S726-L728 VanDerWaalsContact C-N 3.31Å
729	I	87.7	Confident	88.1	Confident	18 Å²	18	52.2 Å²	52.2	9%	0.092	26%	0.255	C	S	.	.	S	Bend	trans	-71.9	131.5	173.8	-65.6	172.2	0	0	0	109	S726 C733 L734 L748	S726-I729 WeakPolarHBondContact O-CD1 3.46Å; S726-I729 WeakPolarHBondContact O-CG1 3.48Å; I729-C733 HydrophobicContact CG2-CB 3.89Å; I729-L734 HydrophobicContact CG2-CB 4.47Å; I729-L748 HydrophobicContact CD1-CD2 3.94Å; I729-L748 HydrophobicContact CD1-CG 4.47Å; I729-L748 HydrophobicContact CG1-CD1 4.06Å; I729-L748 HydrophobicContact CG1-CD2 4.21Å; I729-L748 HydrophobicContact CG1-CG 4.39Å
730	P	88.6	Confident	87.7	Confident	33 Å²	33	53.7 Å²	53.7	21%	0.214	26%	0.262	C	S	.	.			trans	-52.3	142.9	176.6	-29	36.1	0	0	0	113.5	W614 E732 C733 L734	W614-P730 HydrophobicContact CB-CG 4.45Å; W614-P730 HydrophobicContact CE3-CB 4.46Å; P730-E732 VanDerWaalsContact C-N 3.32Å; P730-E732 PolarHBondContact O-N 2.91Å; P730-C733 HydrophobicContact CB-CB 4.26Å; P730-C733 WeakPolarHBondContact O-CB 3.3Å; P730-C733 PolarHBondContact O-N 3.33Å; P730-C733 VanDerWaalsContact O-N 3.13Å; P730-L734 PolarHBondContact O-N 2.79Å
731	Y	88.3	Confident	87.3	Confident	158 Å²	158	56 Å²	56	62%	0.62	29%	0.292	S	S	*	.	H	α-helix	trans	-62.4	-37.5	-171.9	176.9	-108	0	0	0	112.8	L734 N735	Y731-L734 PolarHBondContact O-N 2.92Å; Y731-N735 WeakPolarHBondContact CE1-ND2 3.29Å; Y731-N735 WeakPolarHBondContact O-CB 3.45Å; Y731-N735 PolarHBondContact O-N 3.2Å; Y731-N735 PolarHBondContact OH-ND2 2.85Å; Y731-N735 VanDerWaalsContact OH-ND2 3.13Å
732	E	88.6	Confident	86.9	Confident	118 Å²	118	57.3 Å²	57.3	55%	0.551	30%	0.298	S	S	*	.	H	α-helix	trans	-67.1	-39.6	176.7	-53.2	90.8	152.9	0	0	111.6	W614 P730 N735 Q736	W614-E732 HydrophobicContact CH2-CB 4.1Å; W614-E732 HydrophobicContact CZ3-CB 3.86Å; P730-E732 VanDerWaalsContact C-N 3.32Å; P730-E732 PolarHBondContact O-N 2.91Å; E732-N735 PolarHBondContact O-N 2.96Å; E732-Q736 WeakPolarHBondContact O-CB 3.23Å; E732-Q736 PolarHBondContact O-N 3.11Å
733	C	89.7	Confident	86	Confident	1 Å²	1	58 Å²	58	1%	0.007	31%	0.31	C	S	.	.	H	α-helix	trans	-61.1	-49.2	173.4	177.2	0	0	0	0	110.4	A573 W614 I729 P730 N735 Q736 L737	A573-C733 PolarHBondContact O-SG 3.01Å; W614-C733 HydrophobicContact CD2-CB 3.61Å; W614-C733 HydrophobicContact CE3-CB 3.77Å; W614-C733 HydrophobicContact CG-CB 3.98Å; W614-C733 HydrophobicContact CH2-CB 4.33Å; W614-C733 HydrophobicContact CZ2-CB 4.26Å; W614-C733 HydrophobicContact CZ3-CB 4.13Å; I729-C733 HydrophobicContact CG2-CB 3.89Å; P730-C733 HydrophobicContact CB-CB 4.26Å; P730-C733 WeakPolarHBondContact O-CB 3.3Å; P730-C733 PolarHBondContact O-N 3.33Å; P730-C733 VanDerWaalsContact O-N 3.13Å; C733-N735 VanDerWaalsContact C-N 3.31Å; C733-N735 PolarHBondContact O-N 3.41Å; C733-Q736 PolarHBondContact O-N 2.87Å; C733-L737 VanDerWaalsContact O-CG 3.31Å; C733-L737 WeakPolarHBondContact O-CG 3.07Å; C733-L737 PolarHBondContact O-N 2.97Å
734	L	87.4	Confident	84.8	Confident	46 Å²	46	62 Å²	62	24%	0.241	34%	0.337	C	S	.	.	H	α-helix	trans	-60.4	-39.5	177.9	-175.9	65.8	0	0	0	112.1	I729 P730 Y731 K738	I729-L734 HydrophobicContact CG2-CB 4.47Å; P730-L734 PolarHBondContact O-N 2.79Å; Y731-L734 PolarHBondContact O-N 2.92Å; L734-K738 VanDerWaalsContact O-CG 3.3Å; L734-K738 WeakPolarHBondContact O-CG 3.49Å; L734-K738 PolarHBondContact O-N 3.37Å; L734-K738 VanDerWaalsContact O-N 3.07Å
735	N	88.7	Confident	84.4	Confident	41 Å²	41	61.7 Å²	61.7	22%	0.219	33%	0.332	C	S	.	.	H	α-helix	trans	-71.5	-40.3	176.6	-80.9	-3.1	0	0	0	112.8	Y731 E732 C733 L737 K738 Q739	Y731-N735 WeakPolarHBondContact CE1-ND2 3.29Å; Y731-N735 WeakPolarHBondContact O-CB 3.45Å; Y731-N735 PolarHBondContact O-N 3.2Å; Y731-N735 PolarHBondContact OH-ND2 2.85Å; Y731-N735 VanDerWaalsContact OH-ND2 3.13Å; E732-N735 PolarHBondContact O-N 2.96Å; C733-N735 VanDerWaalsContact C-N 3.31Å; C733-N735 PolarHBondContact O-N 3.41Å; N735-L737 VanDerWaalsContact C-N 3.31Å; N735-L737 PolarHBondContact O-N 2.94Å; N735-K738 PolarHBondContact O-N 3.1Å; N735-Q739 WeakPolarHBondContact O-CB 3.41Å; N735-Q739 VanDerWaalsContact O-CG 3.3Å; N735-Q739 WeakPolarHBondContact O-CG 3.47Å; N735-Q739 PolarHBondContact O-N 2.84Å
736	Q	87.8	Confident	84	Confident	42 Å²	42	72 Å²	72	20%	0.196	37%	0.371	C	S	.	.	H	α-helix	trans	-60.5	-40.9	174.4	179.3	164.7	-25	0	0	111.1	E732 C733 Q739 M740	E732-Q736 WeakPolarHBondContact O-CB 3.23Å; E732-Q736 PolarHBondContact O-N 3.11Å; C733-Q736 PolarHBondContact O-N 2.87Å; Q736-Q739 PolarHBondContact O-N 3.39Å; Q736-M740 HydrophobicContact CG-CE 3.86Å; Q736-M740 WeakPolarHBondContact O-CG 3.49Å; Q736-M740 PolarHBondContact O-N 2.99Å; Q736-M740 VanDerWaalsContact O-N 3.14Å
737	L	88.5	Confident	84.1	Confident	7 Å²	7	72.1 Å²	72.1	4%	0.037	37%	0.37	C	S	.	.	H	α-helix	trans	-64.6	-46.3	174.7	-70	165.3	0	0	0	112.5	Y544 A573 Y574 C733 N735 Q739 M740 G741 I742	Y544-L737 HydrophobicContact CD1-CD2 3.96Å; Y544-L737 HydrophobicContact CE1-CD2 4.28Å; A573-L737 HydrophobicContact CB-CD2 4.47Å; Y574-L737 HydrophobicContact CD1-CD1 3.88Å; Y574-L737 HydrophobicContact CE1-CD1 3.34Å; Y574-L737 HydrophobicContact CE1-CD2 3.99Å; Y574-L737 HydrophobicContact CE1-CG 4.31Å; Y574-L737 HydrophobicContact CE2-CD2 4.4Å; C733-L737 VanDerWaalsContact O-CG 3.31Å; C733-L737 WeakPolarHBondContact O-CG 3.07Å; C733-L737 PolarHBondContact O-N 2.97Å; N735-L737 VanDerWaalsContact C-N 3.31Å; N735-L737 PolarHBondContact O-N 2.94Å; L737-Q739 PolarHBondContact O-N 2.99Å; L737-M740 PolarHBondContact O-N 3.42Å; L737-M740 VanDerWaalsContact O-N 3.16Å; L737-G741 PolarHBondContact O-N 3.47Å; L737-I742 HydrophobicContact CD2-CB 4.27Å; L737-I742 HydrophobicContact CD2-CD1 4.42Å; L737-I742 HydrophobicContact CD2-CG2 4.18Å; L737-I742 PolarHBondContact O-N 3Å
738	K	87.9	Confident	84.3	Confident	124 Å²	124	67.5 Å²	67.5	54%	0.539	35%	0.345	S	S	.	.	H	α-helix	trans	-57.5	-47.6	174.4	-74.1	168.8	-177.2	168.8	0	111.8	L734 N735 M740 G741	L734-K738 VanDerWaalsContact O-CG 3.3Å; L734-K738 WeakPolarHBondContact O-CG 3.49Å; L734-K738 PolarHBondContact O-N 3.37Å; L734-K738 VanDerWaalsContact O-N 3.07Å; N735-K738 PolarHBondContact O-N 3.1Å; K738-M740 PolarHBondContact O-N 3.42Å; K738-G741 PolarHBondContact O-N 2.85Å
739	Q	86.4	Confident	84.4	Confident	167 Å²	167	67.3 Å²	67.3	78%	0.78	34%	0.344	S	S	*	.	H	α-helix	trans	-61.5	-26.9	178.2	-74.8	174	-6.7	0	0	113.1	N735 Q736 L737 G741	N735-Q739 WeakPolarHBondContact O-CB 3.41Å; N735-Q739 VanDerWaalsContact O-CG 3.3Å; N735-Q739 WeakPolarHBondContact O-CG 3.47Å; N735-Q739 PolarHBondContact O-N 2.84Å; Q736-Q739 PolarHBondContact O-N 3.39Å; L737-Q739 PolarHBondContact O-N 2.99Å; Q739-G741 VanDerWaalsContact C-N 3.35Å
740	M	81.8	Confident	84.6	Confident	31 Å²	31	66.4 Å²	66.4	15%	0.153	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	1.9	174.5	-65.2	-152.4	-150.4	0	0	114.3	K529 Y544 Q736 L737 K738 I742	K529-M740 HydrophobicContact CD-SD 4.48Å; K529-M740 PolarHBondContact NZ-O 3.49Å; Y544-M740 PolarHBondContact OH-SD 3.28Å; Q736-M740 HydrophobicContact CG-CE 3.86Å; Q736-M740 WeakPolarHBondContact O-CG 3.49Å; Q736-M740 PolarHBondContact O-N 2.99Å; Q736-M740 VanDerWaalsContact O-N 3.14Å; L737-M740 PolarHBondContact O-N 3.42Å; L737-M740 VanDerWaalsContact O-N 3.16Å; K738-M740 PolarHBondContact O-N 3.42Å; M740-I742 HydrophobicContact CB-CD1 3.79Å; M740-I742 HydrophobicContact CB-CG1 3.85Å
741	G	81.4	Confident	84.6	Confident	69 Å²	69	65.7 Å²	65.7	71%	0.711	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	14.9	-178.1	0	0	0	0	0	114.6	L737 K738 Q739	L737-G741 PolarHBondContact O-N 3.47Å; K738-G741 PolarHBondContact O-N 2.85Å; Q739-G741 VanDerWaalsContact C-N 3.35Å
742	I	82.1	Confident	84.6	Confident	26 Å²	26	58.2 Å²	58.2	13%	0.133	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-95.3	120.7	-166	-53.9	-176.2	0	0	0	110.1	F531 Y544 L737 M740 S744	F531-I742 HydrophobicContact CZ-CD1 4.39Å; Y544-I742 HydrophobicContact CD1-CD1 3.2Å; Y544-I742 HydrophobicContact CD1-CG2 4.5Å; Y544-I742 HydrophobicContact CD2-CD1 3.94Å; Y544-I742 HydrophobicContact CE1-CD1 3.45Å; Y544-I742 VanDerWaalsContact CE1-CD1 3.45Å; Y544-I742 HydrophobicContact CE2-CD1 4.14Å; Y544-I742 HydrophobicContact CG-CD1 3.48Å; Y544-I742 VanDerWaalsContact CG-CD1 3.48Å; L737-I742 HydrophobicContact CD2-CB 4.27Å; L737-I742 HydrophobicContact CD2-CD1 4.42Å; L737-I742 HydrophobicContact CD2-CG2 4.18Å; L737-I742 PolarHBondContact O-N 3Å; M740-I742 HydrophobicContact CB-CD1 3.79Å; M740-I742 HydrophobicContact CB-CG1 3.85Å; I742-S744 PolarHBondContact O-N 3.16Å
743	T	72.7	Confident	84.4	Confident	95 Å²	95	53.1 Å²	53.1	58%	0.583	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-62.4	133.9	-178.9	60.9	0	0	0	0	111.3	I745	T743-I745 PolarHBondContact O-N 2.8Å
744	S	65.3	Low	84.2	Confident	83 Å²	83	53.3 Å²	53.3	58%	0.58	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-59.9	131.2	178.5	49	0	0	0	0	112	I742	I742-S744 PolarHBondContact O-N 3.16Å
745	I	77.1	Confident	84.1	Confident	47 Å²	47	52.2 Å²	52.2	24%	0.241	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-78.6	131.9	175.7	-48.2	-176.7	0	0	0	108.3	Y543 Y574 S726 T743 V747	Y543-I745 HydrophobicContact CD2-CD1 4Å; Y543-I745 HydrophobicContact CE2-CD1 3.81Å; Y574-I745 HydrophobicContact CD1-CD1 4.2Å; Y574-I745 HydrophobicContact CD2-CD1 4.03Å; Y574-I745 HydrophobicContact CE1-CB 4.5Å; Y574-I745 HydrophobicContact CE1-CD1 3.65Å; Y574-I745 HydrophobicContact CE1-CG1 3.75Å; Y574-I745 HydrophobicContact CE2-CD1 3.48Å; Y574-I745 VanDerWaalsContact CE2-CD1 3.48Å; Y574-I745 HydrophobicContact CE2-CG1 4.33Å; Y574-I745 HydrophobicContact CG-CD1 4.38Å; S726-I745 WeakPolarHBondContact CB-O 3.33Å; T743-I745 PolarHBondContact O-N 2.8Å; I745-V747 WeakPolarHBondContact CG2-O 3.43Å; I745-V747 PolarHBondContact O-N 3.02Å
746	R	78.6	Confident	84	Confident	216 Å²	216	50.2 Å²	50.2	82%	0.815	27%	0.265	S	S	*	.	S	Bend	trans	-74.7	-7.3	-179.2	-61.6	-178.9	177.6	-177.1	-2.3	114.7	S726	S726-R746 PolarHBondContact OG-O 2.99Å
747	V	86	Confident	83.8	Confident	48 Å²	48	48.2 Å²	48.2	29%	0.291	26%	0.256	S	S	.	.	S	Bend	trans	-153.2	127.4	-166.9	176.6	0	0	0	0	108.4	K722 L723 I745	K722-V747 HydrophobicContact CB-CG1 3.72Å; K722-V747 HydrophobicContact CG-CG1 4.39Å; L723-V747 CarbonylContact O-C 3.47Å; L723-V747 WeakPolarHBondContact O-CA 3.47Å; I745-V747 WeakPolarHBondContact CG2-O 3.43Å; I745-V747 PolarHBondContact O-N 3.02Å
748	L	88.9	Confident	83.2	Confident	4 Å²	4	49.4 Å²	49.4	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	149.1	168.4	-65.5	-173.9	0	0	0	110.6	Y574 P575 I577 I616 L723 I725 I729	Y574-L748 HydrophobicContact CD1-CD2 4.47Å; P575-L748 HydrophobicContact CB-CD1 4.13Å; P575-L748 HydrophobicContact CG-CD1 3.95Å; I577-L748 HydrophobicContact CD1-CB 4.08Å; I577-L748 HydrophobicContact CD1-CD1 3.96Å; I616-L748 HydrophobicContact CD1-CD1 3.79Å; L723-L748 PolarHBondContact N-O 3.15Å; L723-L748 PolarHBondContact O-N 2.82Å; I725-L748 HydrophobicContact CD1-CB 4.27Å; I725-L748 HydrophobicContact CD1-CD1 4.02Å; I725-L748 HydrophobicContact CG1-CB 3.99Å; I725-L748 HydrophobicContact CG1-CD1 3.95Å; I725-L748 HydrophobicContact CG1-CG 4.09Å; I729-L748 HydrophobicContact CD1-CD2 3.94Å; I729-L748 HydrophobicContact CD1-CG 4.47Å; I729-L748 HydrophobicContact CG1-CD1 4.06Å; I729-L748 HydrophobicContact CG1-CD2 4.21Å; I729-L748 HydrophobicContact CG1-CG 4.39Å
749	N	89.6	Confident	82.3	Confident	39 Å²	39	51.1 Å²	51.1	21%	0.209	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	125.7	178.6	-58.3	-76.2	0	0	0	109.6	P458 K720 G721	P458-N749 HydrophobicContact CB-CB 4.08Å; K720-N749 WeakPolarHBondContact CE-OD1 3.37Å; K720-N749 PolarHBondContact NZ-OD1 2.97Å; G721-N749 WeakPolarHBondContact O-CA 3.37Å
750	A	90.4	Very high	81.3	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	139.3	165.4	0	0	0	0	0	109.5	I577 L579 F608 K720 G721 L723	I577-A750 HydrophobicContact CB-CB 4.11Å; I577-A750 HydrophobicContact CG2-CB 3.56Å; I577-A750 WeakPolarHBondContact O-CA 3.03Å; L579-A750 HydrophobicContact CD2-CB 3.71Å; L579-A750 HydrophobicContact CG-CB 4.05Å; F608-A750 HydrophobicContact CD1-CB 4.05Å; F608-A750 HydrophobicContact CE1-CB 4.16Å; K720-A750 CarbonylContact C-O 3.54Å; K720-A750 WeakPolarHBondContact CA-O 3.24Å; G721-A750 PolarHBondContact N-O 3.48Å; G721-A750 PolarHBondContact O-N 2.84Å; L723-A750 HydrophobicContact CD1-CB 3.86Å; L723-A750 HydrophobicContact CG-CB 4.29Å
751	I	89.1	Confident	80.7	Confident	18 Å²	18	42.7 Å²	42.7	9%	0.092	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.9	-177.5	-53.3	176.9	0	0	0	110	S457 L460 I577 R578 L579 I719	S457-I751 WeakPolarHBondContact O-CD1 3.38Å; L460-I751 HydrophobicContact CD1-CD1 4.46Å; L460-I751 HydrophobicContact CD1-CG2 3.83Å; I577-I751 PolarHBondContact O-N 3.09Å; R578-I751 CarbonylContact C-O 3.49Å; R578-I751 WeakPolarHBondContact CA-O 3.47Å; R578-I751 WeakPolarHBondContact CD-O 3.34Å; L579-I751 PolarHBondContact N-O 3.01Å; I719-I751 CarbonylContact O-C 3.52Å
752	G	87.8	Confident	80.1	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	148.6	162.5	0	0	0	0	0	110.3	I719 E802	I719-G752 PolarHBondContact N-O 2.81Å; I719-G752 PolarHBondContact O-N 3.14Å; G752-E802 CarbonylContact C-O 3.57Å; G752-E802 WeakPolarHBondContact CA-O 3.41Å
753	E	85.7	Confident	79.2	Confident	11 Å²	11	40.3 Å²	40.3	5%	0.051	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	154.1	178.8	58.1	-164.9	147.3	0	0	112.5	R578 T716 I717 Y718 H755 R771 E802	R578-E753 IonicContact CZ-OE1 2.65Å; R578-E753 VanDerWaalsContact CZ-OE1 3.29Å; R578-E753 IonicContact NH1-OE1 2.71Å; R578-E753 PolarHBondContact NH1-OE1 3.3Å; R578-E753 IonicContact NH2-OE1 3.28Å; R578-E753 PolarHBondContact NH2-OE1 2.86Å; T716-E753 HydrophobicContact CG2-CB 4.45Å; I717-E753 CarbonylContact O-C 3.53Å; I717-E753 WeakPolarHBondContact O-CA 3.47Å; Y718-E753 HydrophobicContact CD1-CB 3.8Å; Y718-E753 HydrophobicContact CE1-CB 3.76Å; Y718-E753 VanDerWaalsContact CE1-OE2 3.3Å; Y718-E753 WeakPolarHBondContact CE1-OE2 3.49Å; E753-H755 IonicContact OE2-CE1 3.47Å; E753-H755 IonicContact OE2-NE2 3.15Å; E753-R771 VanDerWaalsContact CD-NH2 3.33Å; E753-R771 IonicContact OE1-CZ 3.88Å; E753-R771 IonicContact OE1-NH1 2.7Å; E753-R771 PolarHBondContact OE1-NH1 2.7Å; E753-R771 IonicContact OE1-NH2 2.67Å; E753-R771 PolarHBondContact OE1-NH2 2.87Å; E753-R771 VanDerWaalsContact OE1-NH2 3.16Å; E753-R771 IonicContact OE2-CZ 3.59Å; E753-R771 IonicContact OE2-NH1 3.23Å; E753-R771 PolarHBondContact OE2-NH1 2.91Å; E753-R771 IonicContact OE2-NH2 2.73Å; E753-R771 PolarHBondContact OE2-NH2 3.1Å; E753-E802 WeakPolarHBondContact CG-O 3.33Å; E753-E802 PolarHBondContact N-O 2.82Å; E753-E802 PolarHBondContact O-N 2.99Å; E753-E802 VanDerWaalsContact O-N 3.09Å
754	C	86.1	Confident	78.8	Confident	5 Å²	5	37 Å²	37	3%	0.034	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	131.3	-177	168.5	0	0	0	0	109.3	M583 T716 I717 L799 R800	M583-C754 HydrophobicContact CE-CB 3.65Å; T716-C754 CarbonylContact C-O 3.6Å; T716-C754 WeakPolarHBondContact CA-O 3.5Å; I717-C754 HydrophobicContact CB-CB 4.47Å; I717-C754 PolarHBondContact N-O 3.41Å; I717-C754 PolarHBondContact O-N 2.8Å; C754-L799 VanDerWaalsContact SG-CB 3.53Å; C754-R800 WeakPolarHBondContact CB-O 3.45Å
755	H	84.5	Confident	78.7	Confident	23 Å²	23	33.7 Å²	33.7	11%	0.106	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135	-167.9	-50.8	-76.6	0	0	0	113.2	T716 E753 F761 L765 R771	T716-H755 WeakPolarHBondContact CG2-CE1 3.26Å; T716-H755 WeakPolarHBondContact CG2-ND1 3.39Å; T716-H755 PolarHBondContact OG1-ND1 2.91Å; E753-H755 IonicContact OE2-CE1 3.47Å; E753-H755 IonicContact OE2-NE2 3.15Å; H755-F761 HydrophobicContact CB-CE1 4.45Å; H755-L765 HydrophobicContact CB-CD1 3.82Å; H755-R771 PolarHBondContact CE1-NH1 2.77Å; H755-R771 PolarHBondContact NE2-NH1 3.02Å
756	F	85.7	Confident	77.7	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	143.8	173.5	52.1	-87.4	0	0	0	111.1	V585 I587 I598 G714 V715 I717 G780 F783 W784 L799	V585-F756 HydrophobicContact CG1-CE1 4.36Å; V585-F756 HydrophobicContact CG1-CZ 4.22Å; I587-F756 HydrophobicContact CD1-CD2 4.47Å; I587-F756 HydrophobicContact CD1-CE2 4.13Å; I598-F756 HydrophobicContact CD1-CE2 4.04Å; I598-F756 HydrophobicContact CD1-CZ 3.99Å; I598-F756 HydrophobicContact CG1-CE2 4.47Å; I598-F756 HydrophobicContact CG1-CZ 4.42Å; G714-F756 CarbonylContact C-O 3.57Å; G714-F756 WeakPolarHBondContact CA-O 3.48Å; V715-F756 HydrophobicContact CB-CD2 4.2Å; V715-F756 HydrophobicContact CB-CE1 4.46Å; V715-F756 HydrophobicContact CB-CE2 3.7Å; V715-F756 HydrophobicContact CB-CZ 3.86Å; V715-F756 HydrophobicContact CG1-CE1 4.17Å; V715-F756 HydrophobicContact CG1-CE2 4Å; V715-F756 HydrophobicContact CG1-CZ 3.62Å; V715-F756 HydrophobicContact CG2-CE2 4.33Å; V715-F756 PolarHBondContact N-O 2.74Å; V715-F756 PolarHBondContact O-N 3.31Å; I717-F756 HydrophobicContact CD1-CE1 3.73Å; I717-F756 HydrophobicContact CD1-CZ 4.16Å; I717-F756 HydrophobicContact CG1-CE1 4.12Å; F756-G780 VanDerWaalsContact CB-O 3.3Å; F756-G780 WeakPolarHBondContact CB-O 3.38Å; F756-F783 HydrophobicContact CB-CD1 4.25Å; F756-F783 AromaticContact CD2-CD1 3.97Å; F756-F783 HydrophobicContact CD2-CD1 3.97Å; F756-F783 HydrophobicContact CD2-CE1 4.23Å; F756-F783 HydrophobicContact CE2-CD1 4.46Å; F756-F783 HydrophobicContact CE2-CE1 4.27Å; F756-F783 HydrophobicContact CG-CD1 4.03Å; F756-F783 HydrophobicContact CG-CE1 4.44Å; F756-W784 AromaticContact CD2-CE3 3.89Å; F756-W784 HydrophobicContact CD2-CE3 3.89Å; F756-W784 HydrophobicContact CD2-CZ3 4.38Å; F756-W784 HydrophobicContact CE2-CE3 4.24Å; F756-W784 HydrophobicContact CE2-CZ3 4.36Å; F756-L799 HydrophobicContact CD1-CD1 3.53Å; F756-L799 HydrophobicContact CE1-CD1 3.96Å; F756-L799 HydrophobicContact CG-CD1 4.24Å
757	G	83.5	Confident	76.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.2	-176.6	-171.8	0	0	0	0	0	114.1	G780 W784	G757-G780 PolarHBondContact N-O 3.16Å; G757-W784 VanDerWaalsContact C-CG 3.48Å; G757-W784 VanDerWaalsContact CA-CG 3.47Å
758	D	76.3	Confident	75.1	Confident	31 Å²	31	33.6 Å²	33.6	17%	0.166	17%	0.165	C	C	.	.			trans	-67.4	155.7	175.6	-58.6	-66.2	0	0	0	109.8	R589 H713 G760 F761 Q762 W784	R589-D758 IonicContact CZ-OD1 2.98Å; R589-D758 IonicContact NH1-OD1 3.13Å; R589-D758 PolarHBondContact NH1-OD1 2.91Å; R589-D758 IonicContact NH2-OD1 3.41Å; R589-D758 PolarHBondContact NH2-OD1 3.13Å; R589-D758 IonicContact NH2-OD2 3.32Å; R589-D758 PolarHBondContact NH2-OD2 2.76Å; H713-D758 PolarHBondContact O-N 2.82Å; D758-G760 VanDerWaalsContact C-N 3.28Å; D758-G760 PolarHBondContact O-N 2.81Å; D758-G760 VanDerWaalsContact O-N 3.13Å; D758-F761 WeakPolarHBondContact O-CB 3.42Å; D758-F761 PolarHBondContact O-N 2.67Å; D758-Q762 PolarHBondContact O-N 2.82Å; D758-W784 VanDerWaalsContact CG-CD1 3.42Å; D758-W784 PolarHBondContact OD1-NE1 2.78Å; D758-W784 PolarHBondContact OD2-NE1 2.92Å
759	Y	68.8	Low	73.4	Confident	160 Å²	160	34.1 Å²	34.1	63%	0.627	17%	0.167	S	C	*	.	H	α-helix	trans	-51.4	-44.1	-171.4	-178.5	-99	0	0	0	113.5	F761 Q762 S763 F781	Y759-F761 VanDerWaalsContact C-N 3.26Å; Y759-F761 PolarHBondContact O-N 2.79Å; Y759-Q762 PolarHBondContact O-N 3.02Å; Y759-S763 PolarHBondContact O-N 2.92Å; Y759-F781 HydrophobicContact CD2-CZ 4.48Å; Y759-F781 VanDerWaalsContact N-CE2 3.34Å
760	G	66.4	Low	71.4	Confident	17 Å²	17	35.2 Å²	35.2	18%	0.175	17%	0.173	C	C	.	.	H	α-helix	trans	-62.9	-27.4	178.5	0	0	0	0	0	114.3	D758 S763 D764	D758-G760 VanDerWaalsContact C-N 3.28Å; D758-G760 PolarHBondContact O-N 2.81Å; D758-G760 VanDerWaalsContact O-N 3.13Å; G760-S763 WeakPolarHBondContact CA-OG 3.47Å; G760-S763 PolarHBondContact O-OG 3.22Å; G760-D764 WeakPolarHBondContact O-CB 3.41Å; G760-D764 PolarHBondContact O-N 2.8Å
761	F	69.1	Low	69.3	Low	4 Å²	4	37 Å²	37	2%	0.018	18%	0.18	C	C	.	.	H	α-helix	trans	-70.9	-37.8	172.8	162.4	-101.7	0	0	0	111.3	I637 H755 D758 Y759 L765	I637-F761 HydrophobicContact CB-CD2 4.3Å; I637-F761 HydrophobicContact CB-CE2 3.71Å; I637-F761 HydrophobicContact CD1-CE2 3.84Å; I637-F761 HydrophobicContact CD1-CZ 4.14Å; I637-F761 HydrophobicContact CG1-CE2 4.38Å; I637-F761 HydrophobicContact CG2-CD2 3.97Å; I637-F761 HydrophobicContact CG2-CE2 3.63Å; H755-F761 HydrophobicContact CB-CE1 4.45Å; D758-F761 WeakPolarHBondContact O-CB 3.42Å; D758-F761 PolarHBondContact O-N 2.67Å; Y759-F761 VanDerWaalsContact C-N 3.26Å; Y759-F761 PolarHBondContact O-N 2.79Å; F761-L765 HydrophobicContact CD1-CD1 4.14Å; F761-L765 HydrophobicContact CD2-CD1 4.5Å; F761-L765 HydrophobicContact CE1-CD1 3.53Å; F761-L765 HydrophobicContact CE2-CD1 3.89Å; F761-L765 HydrophobicContact CE2-CG 4.34Å; F761-L765 HydrophobicContact CZ-CD1 3.39Å; F761-L765 HydrophobicContact CZ-CG 4.29Å; F761-L765 WeakPolarHBondContact O-CB 3.38Å; F761-L765 PolarHBondContact O-N 2.76Å; F761-L765 VanDerWaalsContact O-N 3.08Å
762	Q	68.5	Low	66.8	Low	14 Å²	14	38 Å²	38	7%	0.065	19%	0.187	C	C	.	.	H	α-helix	trans	-70.1	-38.8	175.1	-66.6	-163.8	-29.7	0	0	112.4	D758 Y759 D764 L765 I766 F777	D758-Q762 PolarHBondContact O-N 2.82Å; Y759-Q762 PolarHBondContact O-N 3.02Å; Q762-D764 VanDerWaalsContact C-N 3.31Å; Q762-D764 PolarHBondContact O-N 2.95Å; Q762-L765 WeakPolarHBondContact O-CB 3.25Å; Q762-L765 PolarHBondContact O-N 3.19Å; Q762-I766 WeakPolarHBondContact O-CG1 3.25Å; Q762-I766 PolarHBondContact O-N 2.84Å; Q762-F777 PolarHBondContact NE2-O 2.82Å; Q762-F777 PolarHBondContact OE1-O 3.36Å
763	S	63.2	Low	64.2	Low	31 Å²	31	43.6 Å²	43.6	22%	0.217	22%	0.224	C	C	.	.	H	α-helix	trans	-62.9	-38.7	176.7	64.7	0	0	0	0	112.6	Y759 G760 I766 K767	Y759-S763 PolarHBondContact O-N 2.92Å; G760-S763 WeakPolarHBondContact CA-OG 3.47Å; G760-S763 PolarHBondContact O-OG 3.22Å; S763-I766 PolarHBondContact O-N 3.03Å; S763-K767 WeakPolarHBondContact O-CG 3.3Å; S763-K767 PolarHBondContact O-N 2.85Å; S763-K767 VanDerWaalsContact O-N 3.07Å
764	D	63.8	Low	61.9	Low	25 Å²	25	45.5 Å²	45.5	13%	0.134	24%	0.239	C	C	.	.	H	α-helix	trans	-71.7	-41.7	179.3	-65	10.1	0	0	0	110.2	K712 G760 Q762 I766 K767 D768	K712-D764 WeakPolarHBondContact CD-OD2 3.49Å; K712-D764 WeakPolarHBondContact CE-OD2 3.4Å; K712-D764 IonicContact NZ-OD1 3.86Å; K712-D764 PolarHBondContact NZ-OD1 2.76Å; K712-D764 IonicContact NZ-OD2 2.68Å; K712-D764 PolarHBondContact NZ-OD2 3.43Å; G760-D764 WeakPolarHBondContact O-CB 3.41Å; G760-D764 PolarHBondContact O-N 2.8Å; Q762-D764 VanDerWaalsContact C-N 3.31Å; Q762-D764 PolarHBondContact O-N 2.95Å; D764-I766 PolarHBondContact O-N 3.43Å; D764-K767 PolarHBondContact O-N 3.03Å; D764-D768 WeakPolarHBondContact O-CB 3.48Å; D764-D768 PolarHBondContact O-N 2.82Å
765	L	62.8	Low	59.7	Low	14 Å²	14	47 Å²	47	7%	0.073	25%	0.249	C	C	.	.	H	α-helix	trans	-54.1	-35.1	172.9	-104.3	169.6	0	0	0	113.5	H755 F761 Q762 F769	H755-L765 HydrophobicContact CB-CD1 3.82Å; F761-L765 HydrophobicContact CD1-CD1 4.14Å; F761-L765 HydrophobicContact CD2-CD1 4.5Å; F761-L765 HydrophobicContact CE1-CD1 3.53Å; F761-L765 HydrophobicContact CE2-CD1 3.89Å; F761-L765 HydrophobicContact CE2-CG 4.34Å; F761-L765 HydrophobicContact CZ-CD1 3.39Å; F761-L765 HydrophobicContact CZ-CG 4.29Å; F761-L765 WeakPolarHBondContact O-CB 3.38Å; F761-L765 PolarHBondContact O-N 2.76Å; F761-L765 VanDerWaalsContact O-N 3.08Å; Q762-L765 WeakPolarHBondContact O-CB 3.25Å; Q762-L765 PolarHBondContact O-N 3.19Å; L765-F769 HydrophobicContact CD2-CD2 4Å; L765-F769 HydrophobicContact CD2-CE2 4.33Å
766	I	56.1	Low	57.9	Low	75 Å²	75	55.6 Å²	55.6	39%	0.385	28%	0.28	S	S	.	.	H	α-helix	trans	-77.2	-51.3	177.3	-66	163.4	0	0	0	110.5	Q762 S763 D764 N770 F777	Q762-I766 WeakPolarHBondContact O-CG1 3.25Å; Q762-I766 PolarHBondContact O-N 2.84Å; S763-I766 PolarHBondContact O-N 3.03Å; D764-I766 PolarHBondContact O-N 3.43Å; I766-N770 PolarHBondContact O-N 2.96Å; I766-F777 HydrophobicContact CD1-CD1 4.23Å; I766-F777 HydrophobicContact CD1-CD2 3.94Å; I766-F777 HydrophobicContact CD1-CE1 4.09Å; I766-F777 HydrophobicContact CD1-CE2 3.79Å; I766-F777 HydrophobicContact CD1-CG 4.17Å; I766-F777 HydrophobicContact CD1-CZ 3.88Å; I766-F777 HydrophobicContact CG1-CD1 4.43Å; I766-F777 HydrophobicContact CG1-CD2 4.48Å; I766-F777 HydrophobicContact CG1-CE1 3.81Å; I766-F777 HydrophobicContact CG1-CE2 3.87Å; I766-F777 HydrophobicContact CG1-CZ 3.5Å; I766-F777 VanDerWaalsContact CG1-CZ 3.5Å
767	K	58.1	Low	56.2	Low	157 Å²	157	58 Å²	58	68%	0.683	29%	0.291	S	S	*	.	H	α-helix	trans	-67.8	-41.7	-173.6	-75.8	-175.5	174.5	-174.4	0	113.9	S763 D764	S763-K767 WeakPolarHBondContact O-CG 3.3Å; S763-K767 PolarHBondContact O-N 2.85Å; S763-K767 VanDerWaalsContact O-N 3.07Å; D764-K767 PolarHBondContact O-N 3.03Å
768	D	52.8	Low	54.6	Low	77 Å²	77	62.2 Å²	62.2	41%	0.412	32%	0.32	S	S	.	.	H	α-helix	trans	-82.7	-33	-170.8	-66.8	-34.1	0	0	0	112.1	K453 D764	K453-D768 PolarHBondContact NZ-O 3.27Å; D764-D768 WeakPolarHBondContact O-CB 3.48Å; D764-D768 PolarHBondContact O-N 2.82Å
769	F	52.7	Low	53.8	Low	15 Å²	15	64.8 Å²	64.8	7%	0.066	33%	0.331	C	S	.	.	H	α-helix	trans	-105.9	-4.7	-171.2	-54.8	-69.6	0	0	0	115.4	N454 F490 L765 R771	N454-F769 VanDerWaalsContact CG-O 3.24Å; N454-F769 PolarHBondContact ND2-O 3.09Å; N454-F769 PolarHBondContact OD1-O 3.42Å; F490-F769 HydrophobicContact CB-CD1 4.09Å; F490-F769 HydrophobicContact CB-CE1 3.39Å; F490-F769 HydrophobicContact CB-CZ 3.83Å; F490-F769 HydrophobicContact CD2-CE1 4.16Å; F490-F769 AromaticContact CD2-CZ 3.74Å; F490-F769 HydrophobicContact CD2-CZ 3.74Å; F490-F769 HydrophobicContact CG-CE1 4.03Å; F490-F769 AromaticContact CG-CZ 3.93Å; F490-F769 HydrophobicContact CG-CZ 3.93Å; L765-F769 HydrophobicContact CD2-CD2 4Å; L765-F769 HydrophobicContact CD2-CE2 4.33Å; F769-R771 HydrophobicContact CB-CG 3.81Å; F769-R771 PolarHBondContact O-N 3.02Å
770	N	47.3	Very low	53.9	Low	63 Å²	63	57.4 Å²	57.4	34%	0.337	30%	0.304	S	S	.	.			trans	46.3	35.9	-178.5	-79.9	26.9	0	0	0	113.2	V415 I766	V415-N770 WeakPolarHBondContact CG1-ND2 3.34Å; I766-N770 PolarHBondContact O-N 2.96Å
771	R	46.7	Very low	54	Low	37 Å²	37	59.7 Å²	59.7	14%	0.14	31%	0.309	C	S	.	.			trans	-71.5	148.4	-178.7	-75.7	166.8	170.7	-137.4	-16.6	109.8	E753 H755 F769	E753-R771 VanDerWaalsContact CD-NH2 3.33Å; E753-R771 IonicContact OE1-CZ 3.88Å; E753-R771 IonicContact OE1-NH1 2.7Å; E753-R771 PolarHBondContact OE1-NH1 2.7Å; E753-R771 IonicContact OE1-NH2 2.67Å; E753-R771 PolarHBondContact OE1-NH2 2.87Å; E753-R771 VanDerWaalsContact OE1-NH2 3.16Å; E753-R771 IonicContact OE2-CZ 3.59Å; E753-R771 IonicContact OE2-NH1 3.23Å; E753-R771 PolarHBondContact OE2-NH1 2.91Å; E753-R771 IonicContact OE2-NH2 2.73Å; E753-R771 PolarHBondContact OE2-NH2 3.1Å; H755-R771 PolarHBondContact CE1-NH1 2.77Å; H755-R771 PolarHBondContact NE2-NH1 3.02Å; F769-R771 HydrophobicContact CB-CG 3.81Å; F769-R771 PolarHBondContact O-N 3.02Å
772	P	36.1	Very low	54.3	Low	38 Å²	38	62.2 Å²	62.2	25%	0.247	33%	0.327	C	S	.	.			trans	-55.3	141.1	175.4	26.6	-37.8	0	0	0	110.4	W420 S774	W420-P772 HydrophobicContact CD2-CG 4.47Å; W420-P772 HydrophobicContact CZ2-CG 3.87Å; P772-S774 PolarHBondContact O-N 3.2Å
773	P	34.5	Very low	55	Low	118 Å²	118	61.6 Å²	61.6	77%	0.766	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	30	175.8	32.1	-36	0	0	0	113.1	C775 F777	P773-C775 VanDerWaalsContact C-N 3.3Å; P773-F777 HydrophobicContact CB-CE2 4.48Å
774	S	35.9	Very low	56	Low	52 Å²	52	60.1 Å²	60.1	36%	0.364	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-33.4	175.5	51.3	0	0	0	0	112	P772 R776 E802	P772-S774 PolarHBondContact O-N 3.2Å; S774-R776 PolarHBondContact O-N 2.92Å; S774-R776 VanDerWaalsContact O-N 3.1Å; S774-E802 VanDerWaalsContact C-OE2 3.32Å; S774-E802 VanDerWaalsContact CB-OE2 3.23Å; S774-E802 WeakPolarHBondContact CB-OE2 3.42Å; S774-E802 PolarHBondContact OG-OE2 3.34Å
775	C	41.4	Very low	56.9	Low	36 Å²	36	61.8 Å²	61.8	24%	0.243	32%	0.323	C	S	.	.	S	Bend	trans	-57.1	113.3	168.2	-79.2	0	0	0	0	110.2	P773 F777 E802	P773-C775 VanDerWaalsContact C-N 3.3Å; C775-F777 HydrophobicContact CB-CD1 3.97Å; C775-F777 HydrophobicContact CB-CD2 4.31Å; C775-F777 HydrophobicContact CB-CE1 3.65Å; C775-F777 HydrophobicContact CB-CE2 4.02Å; C775-F777 HydrophobicContact CB-CG 4.28Å; C775-F777 HydrophobicContact CB-CZ 3.67Å; C775-F777 WeakPolarHBondContact O-CD2 3.06Å; C775-F777 WeakPolarHBondContact O-CE2 3.34Å; C775-F777 WeakPolarHBondContact O-CG 3.44Å; C775-F777 PolarHBondContact O-N 3.2Å; C775-E802 PolarHBondContact N-OE2 3.44Å; C775-E802 VanDerWaalsContact N-OE2 3.1Å; C775-E802 PolarHBondContact SG-OE2 3.5Å; C775-E802 VanDerWaalsContact SG-OE2 3.41Å
776	R	46.6	Very low	57.8	Low	204 Å²	204	64.1 Å²	64.1	77%	0.77	34%	0.336	S	S	*	.			trans	-72	71.4	169.5	-68.7	-177.2	174.3	-176.6	-2.5	109.9	S774 S778 Q779	S774-R776 PolarHBondContact O-N 2.92Å; S774-R776 VanDerWaalsContact O-N 3.1Å; R776-S778 PolarHBondContact O-N 2.72Å; R776-Q779 PolarHBondContact O-N 3.35Å; R776-Q779 VanDerWaalsContact O-N 3.11Å
777	F	49.2	Very low	59.1	Low	50 Å²	50	60.6 Å²	60.6	22%	0.219	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-37.9	-163.1	-69.7	-76.1	0	0	0	114.8	Q762 I766 P773 C775 Q779 G780	Q762-F777 PolarHBondContact NE2-O 2.82Å; Q762-F777 PolarHBondContact OE1-O 3.36Å; I766-F777 HydrophobicContact CD1-CD1 4.23Å; I766-F777 HydrophobicContact CD1-CD2 3.94Å; I766-F777 HydrophobicContact CD1-CE1 4.09Å; I766-F777 HydrophobicContact CD1-CE2 3.79Å; I766-F777 HydrophobicContact CD1-CG 4.17Å; I766-F777 HydrophobicContact CD1-CZ 3.88Å; I766-F777 HydrophobicContact CG1-CD1 4.43Å; I766-F777 HydrophobicContact CG1-CD2 4.48Å; I766-F777 HydrophobicContact CG1-CE1 3.81Å; I766-F777 HydrophobicContact CG1-CE2 3.87Å; I766-F777 HydrophobicContact CG1-CZ 3.5Å; I766-F777 VanDerWaalsContact CG1-CZ 3.5Å; P773-F777 HydrophobicContact CB-CE2 4.48Å; C775-F777 HydrophobicContact CB-CD1 3.97Å; C775-F777 HydrophobicContact CB-CD2 4.31Å; C775-F777 HydrophobicContact CB-CE1 3.65Å; C775-F777 HydrophobicContact CB-CE2 4.02Å; C775-F777 HydrophobicContact CB-CG 4.28Å; C775-F777 HydrophobicContact CB-CZ 3.67Å; C775-F777 WeakPolarHBondContact O-CD2 3.06Å; C775-F777 WeakPolarHBondContact O-CE2 3.34Å; C775-F777 WeakPolarHBondContact O-CG 3.44Å; C775-F777 PolarHBondContact O-N 3.2Å; F777-Q779 PolarHBondContact O-N 3.29Å; F777-G780 PolarHBondContact O-N 3.06Å
778	S	50.7	Low	60.1	Low	89 Å²	89	53.2 Å²	53.2	62%	0.622	29%	0.286	S	S	*	.	H	α-helix	trans	-50.6	-34.9	-179.6	56.6	0	0	0	0	114	R776 G780 F781 S782	R776-S778 PolarHBondContact O-N 2.72Å; S778-G780 PolarHBondContact O-N 3.4Å; S778-F781 PolarHBondContact O-N 3.4Å; S778-S782 PolarHBondContact O-N 3.09Å; S778-S782 PolarHBondContact O-OG 3.49Å
779	Q	59.3	Low	61.4	Low	85 Å²	85	53.1 Å²	53.1	40%	0.397	29%	0.291	S	S	.	.	H	α-helix	trans	-65.3	-35.1	178.6	-72.1	-169.7	-10.6	0	0	113.4	R776 F777 S782 F783 Q797	R776-Q779 PolarHBondContact O-N 3.35Å; R776-Q779 VanDerWaalsContact O-N 3.11Å; F777-Q779 PolarHBondContact O-N 3.29Å; Q779-S782 PolarHBondContact O-OG 2.99Å; Q779-F783 WeakPolarHBondContact O-CB 3.41Å; Q779-F783 PolarHBondContact O-N 3.13Å; Q779-Q797 PolarHBondContact O-NE2 3.17Å
780	G	70.5	Confident	62.7	Low	5 Å²	5	58.8 Å²	58.8	5%	0.052	31%	0.312	C	S	.	.	H	α-helix	trans	-76.4	-27.3	179.6	0	0	0	0	0	113.5	F756 G757 F777 S778	F756-G780 VanDerWaalsContact CB-O 3.3Å; F756-G780 WeakPolarHBondContact CB-O 3.38Å; G757-G780 PolarHBondContact N-O 3.16Å; F777-G780 PolarHBondContact O-N 3.06Å; S778-G780 PolarHBondContact O-N 3.4Å
781	F	69.2	Low	64.1	Low	65 Å²	65	57.2 Å²	57.2	29%	0.285	30%	0.304	S	S	.	.	H	α-helix	trans	-78.8	-46.3	178.3	174.1	-125	0	0	0	112	Y759 S778 F783 W784 N785	Y759-F781 HydrophobicContact CD2-CZ 4.48Å; Y759-F781 VanDerWaalsContact N-CE2 3.34Å; S778-F781 PolarHBondContact O-N 3.4Å; F781-F783 VanDerWaalsContact C-N 3.33Å; F781-F783 PolarHBondContact O-N 3.05Å; F781-W784 PolarHBondContact O-N 2.67Å; F781-N785 WeakPolarHBondContact CE1-ND2 3.45Å; F781-N785 WeakPolarHBondContact CE2-ND2 3.3Å; F781-N785 WeakPolarHBondContact CE2-OD1 3.43Å; F781-N785 WeakPolarHBondContact CZ-ND2 3.22Å; F781-N785 PolarHBondContact O-N 2.73Å
782	S	74.7	Confident	65.5	Low	57 Å²	57	56.8 Å²	56.8	40%	0.399	31%	0.311	S	S	.	.	H	α-helix	trans	-57.8	-46.7	176.9	58.7	0	0	0	0	111.2	S778 Q779 W784 N785 D786	S778-S782 PolarHBondContact O-N 3.09Å; S778-S782 PolarHBondContact O-OG 3.49Å; Q779-S782 PolarHBondContact O-OG 2.99Å; S782-W784 VanDerWaalsContact C-N 3.31Å; S782-W784 PolarHBondContact O-N 2.83Å; S782-N785 PolarHBondContact O-N 3.31Å; S782-D786 WeakPolarHBondContact O-CB 3.27Å; S782-D786 PolarHBondContact O-N 3.49Å
783	F	82.9	Confident	67.9	Low	1 Å²	1	58.8 Å²	58.8	0%	0.004	32%	0.323	C	S	.	.	H	α-helix	trans	-53.6	-43.9	178	-170.7	-130.6	0	0	0	113.5	V585 I587 F756 Q779 F781 A787 I795 Q797 L799	V585-F783 HydrophobicContact CB-CE1 4.24Å; V585-F783 HydrophobicContact CB-CZ 4.18Å; V585-F783 HydrophobicContact CG1-CE1 3.91Å; V585-F783 HydrophobicContact CG1-CZ 4.05Å; I587-F783 HydrophobicContact CB-CE1 4.02Å; I587-F783 HydrophobicContact CB-CZ 3.89Å; I587-F783 HydrophobicContact CG2-CD1 4.21Å; I587-F783 HydrophobicContact CG2-CD2 4.07Å; I587-F783 HydrophobicContact CG2-CE1 3.76Å; I587-F783 HydrophobicContact CG2-CE2 3.6Å; I587-F783 HydrophobicContact CG2-CG 4.37Å; I587-F783 HydrophobicContact CG2-CZ 3.44Å; I587-F783 VanDerWaalsContact CG2-CZ 3.44Å; F756-F783 HydrophobicContact CB-CD1 4.25Å; F756-F783 AromaticContact CD2-CD1 3.97Å; F756-F783 HydrophobicContact CD2-CD1 3.97Å; F756-F783 HydrophobicContact CD2-CE1 4.23Å; F756-F783 HydrophobicContact CE2-CD1 4.46Å; F756-F783 HydrophobicContact CE2-CE1 4.27Å; F756-F783 HydrophobicContact CG-CD1 4.03Å; F756-F783 HydrophobicContact CG-CE1 4.44Å; Q779-F783 WeakPolarHBondContact O-CB 3.41Å; Q779-F783 PolarHBondContact O-N 3.13Å; F781-F783 VanDerWaalsContact C-N 3.33Å; F781-F783 PolarHBondContact O-N 3.05Å; F783-A787 WeakPolarHBondContact O-CB 3.11Å; F783-A787 PolarHBondContact O-N 3.39Å; F783-I795 HydrophobicContact CD2-CG2 4.49Å; F783-I795 HydrophobicContact CE2-CG2 4.45Å; F783-Q797 HydrophobicContact CD2-CB 3.43Å; F783-Q797 VanDerWaalsContact CD2-CB 3.43Å; F783-Q797 HydrophobicContact CD2-CG 4.32Å; F783-Q797 HydrophobicContact CE2-CB 3.45Å; F783-Q797 VanDerWaalsContact CE2-CB 3.45Å; F783-Q797 HydrophobicContact CG-CB 4.16Å; F783-Q797 HydrophobicContact CZ-CB 4.19Å; F783-L799 HydrophobicContact CD1-CD1 4.07Å; F783-L799 HydrophobicContact CE1-CD1 4.02Å
784	W	84.8	Confident	70.6	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-77.8	-33.8	-176.8	-177.1	-100.2	0	0	0	113.3	I587 R589 V596 H713 V715 F756 G757 D758 F781 S782 G788	I587-W784 HydrophobicContact CD1-CD2 4.43Å; I587-W784 HydrophobicContact CD1-CE3 3.38Å; I587-W784 HydrophobicContact CD1-CZ3 3.67Å; R589-W784 PolarHBondContact NH1-O 2.81Å; V596-W784 HydrophobicContact CG1-CH2 4.49Å; V596-W784 HydrophobicContact CG1-CZ3 4.15Å; V596-W784 HydrophobicContact CG2-CH2 3.89Å; V596-W784 HydrophobicContact CG2-CZ3 4.25Å; H713-W784 HydrophobicContact CB-CZ2 3.79Å; V715-W784 HydrophobicContact CG2-CH2 4.07Å; V715-W784 HydrophobicContact CG2-CZ3 3.8Å; F756-W784 AromaticContact CD2-CE3 3.89Å; F756-W784 HydrophobicContact CD2-CE3 3.89Å; F756-W784 HydrophobicContact CD2-CZ3 4.38Å; F756-W784 HydrophobicContact CE2-CE3 4.24Å; F756-W784 HydrophobicContact CE2-CZ3 4.36Å; G757-W784 VanDerWaalsContact C-CG 3.48Å; G757-W784 VanDerWaalsContact CA-CG 3.47Å; D758-W784 VanDerWaalsContact CG-CD1 3.42Å; D758-W784 PolarHBondContact OD1-NE1 2.78Å; D758-W784 PolarHBondContact OD2-NE1 2.92Å; F781-W784 PolarHBondContact O-N 2.67Å; S782-W784 VanDerWaalsContact C-N 3.31Å; S782-W784 PolarHBondContact O-N 2.83Å; W784-G788 PolarHBondContact O-N 2.94Å
785	N	81.5	Confident	73.1	Confident	60 Å²	60	55 Å²	55	32%	0.321	29%	0.286	S	S	.	.	H	α-helix	trans	-69	-47.4	173.2	-76.8	-6.5	0	0	0	111.8	F781 S782 A787 G788 S789	F781-N785 WeakPolarHBondContact CE1-ND2 3.45Å; F781-N785 WeakPolarHBondContact CE2-ND2 3.3Å; F781-N785 WeakPolarHBondContact CE2-OD1 3.43Å; F781-N785 WeakPolarHBondContact CZ-ND2 3.22Å; F781-N785 PolarHBondContact O-N 2.73Å; S782-N785 PolarHBondContact O-N 3.31Å; N785-A787 VanDerWaalsContact C-N 3.25Å; N785-A787 PolarHBondContact O-N 3.39Å; N785-G788 CarbonylContact O-C 3.58Å; N785-G788 WeakPolarHBondContact O-CA 3.34Å; N785-G788 PolarHBondContact O-N 3.02Å; N785-S789 PolarHBondContact O-N 2.84Å
786	D	82.4	Confident	75.5	Confident	63 Å²	63	59.4 Å²	59.4	34%	0.337	30%	0.299	S	S	.	.	H	α-helix	trans	-57.9	-41	177	-107.1	32.4	0	0	0	111.1	S782 G788 S789 R790 I795	S782-D786 WeakPolarHBondContact O-CB 3.27Å; S782-D786 PolarHBondContact O-N 3.49Å; D786-G788 VanDerWaalsContact C-N 3.26Å; D786-G788 PolarHBondContact O-N 2.89Å; D786-S789 PolarHBondContact O-N 2.99Å; D786-S789 PolarHBondContact O-OG 3.47Å; D786-R790 WeakPolarHBondContact O-CG 3.31Å; D786-R790 PolarHBondContact O-N 2.88Å; D786-R790 IonicContact OD2-CZ 3.16Å; D786-R790 IonicContact OD2-NE 3.24Å; D786-R790 IonicContact OD2-NH2 2.69Å; D786-R790 PolarHBondContact OD2-NH2 3.45Å; D786-I795 HydrophobicContact CB-CD1 3.67Å; D786-I795 WeakPolarHBondContact O-CD1 3.3Å
787	A	82.7	Confident	77.6	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.8	-38.1	174.2	0	0	0	0	0	112.3	I587 R589 F783 N785 N791	I587-A787 HydrophobicContact CB-CB 4.37Å; I587-A787 HydrophobicContact CD1-CB 3.88Å; I587-A787 HydrophobicContact CG1-CB 3.99Å; I587-A787 HydrophobicContact CG2-CB 3.53Å; R589-A787 HydrophobicContact CB-CB 3.79Å; F783-A787 WeakPolarHBondContact O-CB 3.11Å; F783-A787 PolarHBondContact O-N 3.39Å; N785-A787 VanDerWaalsContact C-N 3.25Å; N785-A787 PolarHBondContact O-N 3.39Å; A787-N791 PolarHBondContact O-N 2.84Å
788	G	80.3	Confident	79.4	Confident	2 Å²	2	53.1 Å²	53.1	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-73.1	-41	177.1	0	0	0	0	0	113.4	R65 Q591 W784 N785 D786 N791	R65-G788 PolarHBondContact NH2-O 2.95Å; Q591-G788 PolarHBondContact OE1-O 3.38Å; W784-G788 PolarHBondContact O-N 2.94Å; N785-G788 CarbonylContact O-C 3.58Å; N785-G788 WeakPolarHBondContact O-CA 3.34Å; N785-G788 PolarHBondContact O-N 3.02Å; D786-G788 VanDerWaalsContact C-N 3.26Å; D786-G788 PolarHBondContact O-N 2.89Å; G788-N791 PolarHBondContact O-N 2.88Å
789	S	79.7	Confident	81.2	Confident	76 Å²	76	49.3 Å²	49.3	53%	0.531	25%	0.248	S	C	.	.	H	α-helix	trans	-65.4	-45.6	-179.4	72.1	0	0	0	0	111	N785 D786 N791	N785-S789 PolarHBondContact O-N 2.84Å; D786-S789 PolarHBondContact O-N 2.99Å; D786-S789 PolarHBondContact O-OG 3.47Å; S789-N791 VanDerWaalsContact C-N 3.26Å; S789-N791 PolarHBondContact O-N 3.01Å
790	R	79.2	Confident	82.4	Confident	133 Å²	133	51.7 Å²	51.7	50%	0.502	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-0.5	178.3	-49.6	-169.5	-155.5	-172.9	6.5	114.5	D786 G792 T793 I795	D786-R790 WeakPolarHBondContact O-CG 3.31Å; D786-R790 PolarHBondContact O-N 2.88Å; D786-R790 IonicContact OD2-CZ 3.16Å; D786-R790 IonicContact OD2-NE 3.24Å; D786-R790 IonicContact OD2-NH2 2.69Å; D786-R790 PolarHBondContact OD2-NH2 3.45Å; R790-G792 PolarHBondContact O-N 3.02Å; R790-T793 PolarHBondContact O-N 2.87Å; R790-T793 PolarHBondContact O-OG1 2.95Å; R790-I795 HydrophobicContact CB-CD1 4.22Å; R790-I795 VanDerWaalsContact CD-CD1 3.48Å; R790-I795 HydrophobicContact CG-CD1 3.91Å
791	N	76.9	Confident	83.1	Confident	30 Å²	30	51.5 Å²	51.5	16%	0.16	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	30	68.1	167	-171.2	52	0	0	0	116.5	R589 N590 Q591 S592 A787 G788 S789	R589-N791 CarbonylContact O-C 3.58Å; R589-N791 WeakPolarHBondContact O-CA 3.49Å; N590-N791 WeakPolarHBondContact CA-OD1 3.2Å; Q591-N791 PolarHBondContact N-OD1 3.1Å; S592-N791 PolarHBondContact OG-ND2 3.49Å; A787-N791 PolarHBondContact O-N 2.84Å; G788-N791 PolarHBondContact O-N 2.88Å; S789-N791 VanDerWaalsContact C-N 3.26Å; S789-N791 PolarHBondContact O-N 3.01Å
792	G	77.9	Confident	83.5	Confident	28 Å²	28	49.9 Å²	49.9	29%	0.289	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	112.6	-18.3	176.9	0	0	0	0	0	114.8	C588 R589 R790	C588-G792 PolarHBondContact SG-O 3Å; R589-G792 PolarHBondContact O-N 3.39Å; R790-G792 PolarHBondContact O-N 3.02Å
793	T	85	Confident	84	Confident	81 Å²	81	49.6 Å²	49.6	50%	0.497	24%	0.237	S	C	.	.	S	Bend	trans	-68	145.6	164.7	-56.7	0	0	0	0	110.1	R790	R790-T793 PolarHBondContact O-N 2.87Å; R790-T793 PolarHBondContact O-OG1 2.95Å
794	R	90.6	Very high	84	Confident	73 Å²	73	52.1 Å²	52.1	28%	0.275	25%	0.249	S	C	.	.			trans	-85.9	139.8	174.3	-174.9	175.7	-69.9	-81.4	-3.4	110.7	S586 I587 C588 N597 Y796	S586-R794 PolarHBondContact OG-NH1 3.28Å; I587-R794 CarbonylContact O-C 3.57Å; I587-R794 VanDerWaalsContact O-CA 3.29Å; I587-R794 WeakPolarHBondContact O-CA 3.42Å; C588-R794 HydrophobicContact CB-CB 4.32Å; N597-R794 PolarHBondContact OD1-NH2 2.81Å; R794-Y796 HydrophobicContact CB-CE2 4.26Å; R794-Y796 WeakPolarHBondContact CD-OH 3.41Å; R794-Y796 HydrophobicContact CG-CD2 4.35Å; R794-Y796 HydrophobicContact CG-CE2 3.73Å
795	I	89.9	Confident	84	Confident	16 Å²	16	55 Å²	55	8%	0.082	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	150.6	178.3	-53	-178.8	0	0	0	108.3	S586 I587 F783 D786 R790	S586-I795 CarbonylContact C-O 3.55Å; S586-I795 WeakPolarHBondContact CA-O 3.46Å; S586-I795 VanDerWaalsContact CB-O 3.23Å; S586-I795 WeakPolarHBondContact CB-O 3.16Å; I587-I795 HydrophobicContact CG2-CB 4.44Å; I587-I795 PolarHBondContact N-O 3.08Å; I587-I795 PolarHBondContact O-N 3.16Å; F783-I795 HydrophobicContact CD2-CG2 4.49Å; F783-I795 HydrophobicContact CE2-CG2 4.45Å; D786-I795 HydrophobicContact CB-CD1 3.67Å; D786-I795 WeakPolarHBondContact O-CD1 3.3Å; R790-I795 HydrophobicContact CB-CD1 4.22Å; R790-I795 VanDerWaalsContact CD-CD1 3.48Å; R790-I795 HydrophobicContact CG-CD1 3.91Å
796	Y	91.2	Very high	84.2	Confident	130 Å²	130	54.7 Å²	54.7	51%	0.51	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	137.8	-170	-62.4	-112.2	0	0	0	109.1	V585 H601 R794	V585-Y796 WeakPolarHBondContact O-CA 3.28Å; H601-Y796 AromaticContact CE1-CE1 3.66Å; H601-Y796 AromaticContact NE2-CD1 3.68Å; H601-Y796 AromaticContact NE2-CE1 3.3Å; H601-Y796 VanDerWaalsContact NE2-CE1 3.3Å; H601-Y796 WeakPolarHBondContact NE2-CE1 3.11Å; R794-Y796 HydrophobicContact CB-CE2 4.26Å; R794-Y796 WeakPolarHBondContact CD-OH 3.41Å; R794-Y796 HydrophobicContact CG-CD2 4.35Å; R794-Y796 HydrophobicContact CG-CE2 3.73Å
797	Q	90.5	Very high	84.3	Confident	43 Å²	43	54.2 Å²	54.2	20%	0.201	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	142	177	-166.2	167.9	-42.4	0	0	110.8	V585 Q779 F783 L799	V585-Q797 PolarHBondContact N-O 3.09Å; V585-Q797 PolarHBondContact O-N 2.98Å; Q779-Q797 PolarHBondContact O-NE2 3.17Å; F783-Q797 HydrophobicContact CD2-CB 3.43Å; F783-Q797 VanDerWaalsContact CD2-CB 3.43Å; F783-Q797 HydrophobicContact CD2-CG 4.32Å; F783-Q797 HydrophobicContact CE2-CB 3.45Å; F783-Q797 VanDerWaalsContact CE2-CB 3.45Å; F783-Q797 HydrophobicContact CG-CB 4.16Å; F783-Q797 HydrophobicContact CZ-CB 4.19Å; Q797-L799 HydrophobicContact CB-CD2 4.38Å; Q797-L799 HydrophobicContact CG-CD2 4.02Å
798	W	87.8	Confident	84.4	Confident	79 Å²	79	57.8 Å²	57.8	30%	0.299	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	121.6	164.8	-76.3	102.9	0	0	0	108.9	D582 M583 L584 E602 R604	D582-W798 HydrophobicContact CB-CE3 3.65Å; D582-W798 HydrophobicContact CB-CZ3 3.8Å; M583-W798 VanDerWaalsContact C-CE3 3.41Å; L584-W798 HydrophobicContact CB-CD2 4.01Å; L584-W798 HydrophobicContact CB-CE3 3.89Å; L584-W798 HydrophobicContact CB-CH2 3.75Å; L584-W798 HydrophobicContact CB-CZ2 3.84Å; L584-W798 HydrophobicContact CB-CZ3 3.76Å; L584-W798 HydrophobicContact CD1-CD2 4.28Å; L584-W798 HydrophobicContact CD1-CG 4.36Å; L584-W798 HydrophobicContact CD2-CZ2 4.14Å; L584-W798 HydrophobicContact CG-CZ2 4.43Å; L584-W798 VanDerWaalsContact N-CZ3 3.33Å; E602-W798 HydrophobicContact CB-CH2 3.93Å; E602-W798 HydrophobicContact CG-CH2 4.1Å; E602-W798 WeakPolarHBondContact OE2-CH2 3.29Å; R604-W798 HydrophobicContact CG-CH2 3.79Å; R604-W798 HydrophobicContact CG-CZ3 3.7Å; R604-W798 VanDerWaalsContact NH1-CZ2 3.33Å
799	L	87.6	Confident	84.7	Confident	9 Å²	9	61.8 Å²	61.8	5%	0.047	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	147.5	175	-56.7	-180	0	0	0	108.9	M583 V585 C754 F756 F783 Q797	M583-L799 PolarHBondContact N-O 3Å; M583-L799 PolarHBondContact O-N 2.9Å; V585-L799 HydrophobicContact CB-CD1 4.02Å; V585-L799 HydrophobicContact CB-CG 4.49Å; V585-L799 HydrophobicContact CG2-CD1 3.92Å; V585-L799 HydrophobicContact CG2-CG 4.36Å; C754-L799 VanDerWaalsContact SG-CB 3.53Å; F756-L799 HydrophobicContact CD1-CD1 3.53Å; F756-L799 HydrophobicContact CE1-CD1 3.96Å; F756-L799 HydrophobicContact CG-CD1 4.24Å; F783-L799 HydrophobicContact CD1-CD1 4.07Å; F783-L799 HydrophobicContact CE1-CD1 4.02Å; Q797-L799 HydrophobicContact CB-CD2 4.38Å; Q797-L799 HydrophobicContact CG-CD2 4.02Å
800	R	85.2	Confident	85	Confident	135 Å²	135	60.7 Å²	60.7	51%	0.509	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	147.6	178.5	-161.8	175	-176.8	-154.6	6.7	111.1	C754 E802	C754-R800 WeakPolarHBondContact CB-O 3.45Å; R800-E802 WeakPolarHBondContact CD-OE1 3.25Å; R800-E802 HydrophobicContact CG-CG 4.14Å; R800-E802 IonicContact CZ-OE1 3.69Å; R800-E802 IonicContact NE-OE1 2.91Å; R800-E802 IonicContact NH1-OE1 3.88Å; R800-E802 PolarHBondContact NH1-OE1 2.91Å
801	I	85.6	Confident	85.5	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	133.3	167.8	-49.7	157.8	0	0	0	107.4	L579 S580 G581 M583 I603 L606 I719	L579-I801 HydrophobicContact CB-CG2 4.4Å; L579-I801 WeakPolarHBondContact O-CG2 3.46Å; S580-I801 WeakPolarHBondContact CA-O 3.16Å; G581-I801 PolarHBondContact N-O 3.16Å; G581-I801 PolarHBondContact O-N 2.85Å; M583-I801 HydrophobicContact CB-CD1 4.09Å; M583-I801 HydrophobicContact CB-CG1 4.04Å; M583-I801 HydrophobicContact CE-CG1 4.3Å; I603-I801 HydrophobicContact CG2-CD1 3.85Å; L606-I801 HydrophobicContact CD1-CD1 4.36Å; I719-I801 HydrophobicContact CD1-CD1 3.48Å; I719-I801 VanDerWaalsContact CD1-CD1 3.48Å; I719-I801 HydrophobicContact CD1-CG1 3.84Å; I719-I801 HydrophobicContact CD1-CG2 4.05Å
802	E	78.1	Confident	86.3	Confident	32 Å²	32	56.9 Å²	56.9	15%	0.15	26%	0.26	C	S	.	.			trans	-136.9	0	177.1	-57.7	-172.3	158	0	0	112.4	R578 L579 G752 E753 S774 C775 R800	R578-E802 PolarHBondContact NH1-O 2.96Å; R578-E802 PolarHBondContact NH1-OXT 3.43Å; L579-E802 CarbonylContact O-C 3.56Å; G752-E802 CarbonylContact C-O 3.57Å; G752-E802 WeakPolarHBondContact CA-O 3.41Å; E753-E802 WeakPolarHBondContact CG-O 3.33Å; E753-E802 PolarHBondContact N-O 2.82Å; E753-E802 PolarHBondContact O-N 2.99Å; E753-E802 VanDerWaalsContact O-N 3.09Å; S774-E802 VanDerWaalsContact C-OE2 3.32Å; S774-E802 VanDerWaalsContact CB-OE2 3.23Å; S774-E802 WeakPolarHBondContact CB-OE2 3.42Å; S774-E802 PolarHBondContact OG-OE2 3.34Å; C775-E802 PolarHBondContact N-OE2 3.44Å; C775-E802 VanDerWaalsContact N-OE2 3.1Å; C775-E802 PolarHBondContact SG-OE2 3.5Å; C775-E802 VanDerWaalsContact SG-OE2 3.41Å; R800-E802 WeakPolarHBondContact CD-OE1 3.25Å; R800-E802 HydrophobicContact CG-CG 4.14Å; R800-E802 IonicContact CZ-OE1 3.69Å; R800-E802 IonicContact NE-OE1 2.91Å; R800-E802 IonicContact NH1-OE1 3.88Å; R800-E802 PolarHBondContact NH1-OE1 2.91Å

Retrieved 802 of 802 residues in 159.6 ms (Link to these results)

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