A0A5K4F3Y9_SCHMA Loading...

G_PROTEIN_RECEP_F3_4 domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F3Y9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 971 aa.

						>A0A5K4F3Y9_SCHMA|A0A5K4F3Y9
MKYKVMLITLMIILWFHLVTIINCLQRKYDKNTVASIPGDIMLGGLFPVHTSGVTTCESINPERGIQRVEAMLFTLDEINNNSKLLPGLTLGTTIRDTCSDTNHALEQALKFVQASTGSSSQLNKMNEHSENLNTRGVVGSSYSSVTILVANLFRLFSLPQISYASTTAILSDKRAFPLFARTVPSDVVQAQAMATLVSAHNWTYVSTVRSAGDYGDSGMDAFWKEADKLGVCIAAREVIRGNTGPEDLDNIVNVLSKDFAKARVVVLFTGMDHTKLLLDAVRRAGLVNHFVWIASDGWGRENVPVSNNSREANGALTIEIQAEPIKAFTDYYLSLGRENHRNPWFREYWQDLLQCRESSTKRRERKSTSSRRYFMSKLSKNETNLENSHEISTESSSLPSSCSDSPNLKLRDILGPDFKQEAKIQFVYDAVYAFASGLHILQKKLCPGNPHHPKWNKRSCLEKMLSYPGTAFYQLIINTSFTDNYGNYVAFDENGDGYGQYSIYNYARDPYTGQYHYRLVGDFQGGKLTMRARPIWPGGESKKFPVSQCSEECGFGEVRRLDKKQQCCWSCETCGVDQRVVNLTHCETCPFQHWPSKDKRTCELLELHYIDISTWFAIVPITFSSLGILITGGVILTWVFYSDTPLIRATGRELAYVQLAGCLVCYSCAFILIARPSIFTCSLQRILIGLGFAMMYASLLTKTNRIARIFDAAKRTTKRPVYISPRSQLAISGSLIALQLSLSAIWFGFDSPDTRIDEIRPGYLVLRCAMKDKSFLISLAYNMILIIVCTAYAVKTRQIPENFNESKFIGFTMYTTCIIWLAFLPMYYATISNHQIQIATLCISINLSASVMLCCLFFPKLYIIYLRPEKNVRRLTMNNMTAKQKFANLVKEKSAINVCVSNYTSDNTSLTVSSSTKTGLQTDSDKGILTSPGNPTQSTVTNTSYLKLGKIINFLMNHLVVIHQLLNQFK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	60.8	Low	78.5	Confident	205 Å²	205	137.2 Å²	137.2	100%	1.01	66%	0.663	S	S	*	*				0	-50.7	0	-93.4	171	80	0	0	114.2	Y3 K4 V5	M1-Y3 PolarHBondContact O-N 3.48Å; M1-K4 PolarHBondContact O-N 3.13Å; M1-K4 VanDerWaalsContact O-N 3.09Å; M1-V5 PolarHBondContact O-N 2.63Å
2	K	71.9	Confident	79.3	Confident	188 Å²	188	132.6 Å²	132.6	82%	0.817	64%	0.642	S	S	*	*	H	α-helix	trans	-52.7	-42.2	-176.1	-74	-177.2	176.1	179.5	0	115.1	K4 V5 M6	K2-K4 PolarHBondContact O-N 2.9Å; K2-V5 PolarHBondContact O-N 3.03Å; K2-M6 PolarHBondContact O-N 3.14Å
3	Y	71	Confident	79.9	Confident	211 Å²	211	129.7 Å²	129.7	83%	0.827	63%	0.631	S	S	*	*	H	α-helix	trans	-66.3	-33.8	177.7	-74.7	-78.9	0	0	0	114.5	M1 L7	M1-Y3 PolarHBondContact O-N 3.48Å; Y3-L7 PolarHBondContact O-N 2.75Å
4	K	75	Confident	80.3	Confident	167 Å²	167	128.3 Å²	128.3	73%	0.726	63%	0.627	S	S	*	*	H	α-helix	trans	-69.2	-38.6	177.1	-79.3	-172.2	175.4	-176.3	0	111.9	M1 K2 L7 I8	M1-K4 PolarHBondContact O-N 3.13Å; M1-K4 VanDerWaalsContact O-N 3.09Å; K2-K4 PolarHBondContact O-N 2.9Å; K4-L7 PolarHBondContact O-N 3.5Å; K4-I8 WeakPolarHBondContact O-CD1 3.36Å; K4-I8 VanDerWaalsContact O-CG1 3.29Å; K4-I8 WeakPolarHBondContact O-CG1 3.29Å; K4-I8 PolarHBondContact O-N 2.76Å
5	V	81.5	Confident	80.6	Confident	90 Å²	90	130.9 Å²	130.9	55%	0.545	63%	0.627	S	S	.	*	H	α-helix	trans	-67.2	-38.8	177.7	178.5	0	0	0	0	111.2	M1 K2 I8 T9	M1-V5 PolarHBondContact O-N 2.63Å; K2-V5 PolarHBondContact O-N 3.03Å; V5-I8 PolarHBondContact O-N 3.01Å; V5-T9 PolarHBondContact O-N 2.93Å; V5-T9 PolarHBondContact O-OG1 3.38Å
6	M	80.2	Confident	80.9	Confident	128 Å²	128	130.6 Å²	130.6	63%	0.631	62%	0.623	S	S	*	*	H	α-helix	trans	-66.7	-37.9	178.6	-146.5	-178.5	94.4	0	0	112.3	K2 T9 L10	K2-M6 PolarHBondContact O-N 3.14Å; M6-T9 WeakPolarHBondContact CA-OG1 3.49Å; M6-T9 PolarHBondContact O-OG1 3.35Å; M6-T9 VanDerWaalsContact O-OG1 3.09Å; M6-L10 WeakPolarHBondContact O-CB 3.39Å; M6-L10 PolarHBondContact O-N 3.33Å; M6-L10 VanDerWaalsContact O-N 3.08Å
7	L	82.2	Confident	80.9	Confident	116 Å²	116	129.9 Å²	129.9	61%	0.607	62%	0.618	S	S	*	*	H	α-helix	trans	-67.3	-42.7	176.5	-154.9	83.4	0	0	0	111.7	Y3 K4 L10 M11	Y3-L7 PolarHBondContact O-N 2.75Å; K4-L7 PolarHBondContact O-N 3.5Å; L7-L10 PolarHBondContact O-N 3.01Å; L7-M11 WeakPolarHBondContact O-CG 3.3Å; L7-M11 PolarHBondContact O-N 3.38Å
8	I	84.4	Confident	80.8	Confident	103 Å²	103	128.1 Å²	128.1	53%	0.528	61%	0.612	S	S	.	*	H	α-helix	trans	-65.3	-43	178.9	-66.4	165.7	0	0	0	111	K4 V5 L10 M11 I12	K4-I8 WeakPolarHBondContact O-CD1 3.36Å; K4-I8 VanDerWaalsContact O-CG1 3.29Å; K4-I8 WeakPolarHBondContact O-CG1 3.29Å; K4-I8 PolarHBondContact O-N 2.76Å; V5-I8 PolarHBondContact O-N 3.01Å; I8-L10 PolarHBondContact O-N 3.35Å; I8-M11 PolarHBondContact O-N 2.68Å; I8-I12 HydrophobicContact CG2-CD1 3.87Å; I8-I12 VanDerWaalsContact O-CG1 3.31Å; I8-I12 WeakPolarHBondContact O-CG1 3.13Å; I8-I12 PolarHBondContact O-N 3.3Å
9	T	84.6	Confident	80.7	Confident	68 Å²	68	123.8 Å²	123.8	42%	0.417	60%	0.595	S	S	.	*	H	α-helix	trans	-64.5	-39.4	176.6	32.3	0	0	0	0	112.1	V5 M6 M11 I12 I13	V5-T9 PolarHBondContact O-N 2.93Å; V5-T9 PolarHBondContact O-OG1 3.38Å; M6-T9 WeakPolarHBondContact CA-OG1 3.49Å; M6-T9 PolarHBondContact O-OG1 3.35Å; M6-T9 VanDerWaalsContact O-OG1 3.09Å; T9-M11 PolarHBondContact O-N 2.89Å; T9-I12 PolarHBondContact O-N 3.38Å; T9-I13 WeakPolarHBondContact O-CD1 3.5Å; T9-I13 VanDerWaalsContact O-CG1 3.28Å; T9-I13 WeakPolarHBondContact O-CG1 3.44Å; T9-I13 PolarHBondContact O-N 2.87Å
10	L	85.5	Confident	80.4	Confident	104 Å²	104	121.6 Å²	121.6	55%	0.545	59%	0.59	S	S	.	*	H	α-helix	trans	-62.5	-42.2	174.3	-155.6	89.8	0	0	0	111.7	M6 L7 I8 I13 L14	M6-L10 WeakPolarHBondContact O-CB 3.39Å; M6-L10 PolarHBondContact O-N 3.33Å; M6-L10 VanDerWaalsContact O-N 3.08Å; L7-L10 PolarHBondContact O-N 3.01Å; I8-L10 PolarHBondContact O-N 3.35Å; L10-I13 PolarHBondContact O-N 2.86Å; L10-L14 HydrophobicContact CD2-CD1 4.15Å; L10-L14 HydrophobicContact CG-CD1 4.22Å; L10-L14 WeakPolarHBondContact O-CB 3.08Å; L10-L14 PolarHBondContact O-N 2.89Å
11	M	86.1	Confident	80	Confident	129 Å²	129	120.4 Å²	120.4	64%	0.635	59%	0.585	S	S	*	*	H	α-helix	trans	-64.5	-38.8	176.7	-71.8	-162.2	79.1	0	0	112.7	L7 I8 T9 L14 W15	L7-M11 WeakPolarHBondContact O-CG 3.3Å; L7-M11 PolarHBondContact O-N 3.38Å; I8-M11 PolarHBondContact O-N 2.68Å; T9-M11 PolarHBondContact O-N 2.89Å; M11-L14 PolarHBondContact O-N 3.39Å; M11-W15 VanDerWaalsContact O-CB 3.3Å; M11-W15 WeakPolarHBondContact O-CB 3.18Å; M11-W15 PolarHBondContact O-N 2.84Å
12	I	88.2	Confident	80.2	Confident	82 Å²	82	114.3 Å²	114.3	42%	0.421	56%	0.556	S	S	.	*	H	α-helix	trans	-65.9	-41.2	176.3	-67	164.7	0	0	0	111	I8 T9 W15 F16	I8-I12 HydrophobicContact CG2-CD1 3.87Å; I8-I12 VanDerWaalsContact O-CG1 3.31Å; I8-I12 WeakPolarHBondContact O-CG1 3.13Å; I8-I12 PolarHBondContact O-N 3.3Å; T9-I12 PolarHBondContact O-N 3.38Å; I12-W15 PolarHBondContact O-N 3.32Å; I12-F16 HydrophobicContact CG2-CD2 4.11Å; I12-F16 PolarHBondContact O-N 3.48Å
13	I	86.9	Confident	79.5	Confident	95 Å²	95	109.8 Å²	109.8	49%	0.487	54%	0.541	S	S	.	.	H	α-helix	trans	-66.7	-43.2	177.9	-67.6	164.6	0	0	0	110.7	T9 L10 W15 F16 H17	T9-I13 WeakPolarHBondContact O-CD1 3.5Å; T9-I13 VanDerWaalsContact O-CG1 3.28Å; T9-I13 WeakPolarHBondContact O-CG1 3.44Å; T9-I13 PolarHBondContact O-N 2.87Å; L10-I13 PolarHBondContact O-N 2.86Å; I13-W15 VanDerWaalsContact C-N 3.32Å; I13-W15 PolarHBondContact O-N 3.43Å; I13-F16 PolarHBondContact O-N 3.37Å; I13-H17 PolarHBondContact O-CD2 3.11Å; I13-H17 VanDerWaalsContact O-CD2 3.26Å; I13-H17 PolarHBondContact O-N 2.87Å
14	L	85.3	Confident	78.5	Confident	110 Å²	110	104.2 Å²	104.2	58%	0.576	53%	0.531	S	S	*	.	H	α-helix	trans	-60.8	-41.7	173.8	-89.4	152.3	0	0	0	111.6	L10 M11 H17 L18	L10-L14 HydrophobicContact CD2-CD1 4.15Å; L10-L14 HydrophobicContact CG-CD1 4.22Å; L10-L14 WeakPolarHBondContact O-CB 3.08Å; L10-L14 PolarHBondContact O-N 2.89Å; M11-L14 PolarHBondContact O-N 3.39Å; L14-H17 PolarHBondContact O-N 2.93Å; L14-L18 WeakPolarHBondContact O-CB 3.21Å; L14-L18 PolarHBondContact O-N 3.34Å
15	W	84.8	Confident	77.3	Confident	167 Å²	167	102.4 Å²	102.4	63%	0.633	53%	0.529	S	S	*	.	H	α-helix	trans	-66	-43	176.5	-170.3	65.4	0	0	0	112	M11 I12 I13 H17 L18 V19	M11-W15 VanDerWaalsContact O-CB 3.3Å; M11-W15 WeakPolarHBondContact O-CB 3.18Å; M11-W15 PolarHBondContact O-N 2.84Å; I12-W15 PolarHBondContact O-N 3.32Å; I13-W15 VanDerWaalsContact C-N 3.32Å; I13-W15 PolarHBondContact O-N 3.43Å; W15-H17 PolarHBondContact O-N 3.18Å; W15-L18 PolarHBondContact O-N 3.29Å; W15-V19 HydrophobicContact CD2-CG2 4.28Å; W15-V19 HydrophobicContact CZ2-CG2 4.39Å; W15-V19 WeakPolarHBondContact O-CB 3.48Å; W15-V19 VanDerWaalsContact O-CG2 3.28Å; W15-V19 WeakPolarHBondContact O-CG2 3.3Å; W15-V19 PolarHBondContact O-N 3.21Å
16	F	85.6	Confident	75.3	Confident	127 Å²	127	104.9 Å²	104.9	56%	0.557	54%	0.535	S	S	*	.	H	α-helix	trans	-61.6	-44.4	173.9	-106	-84	0	0	0	112	I12 I13 L18 V19 T20	I12-F16 HydrophobicContact CG2-CD2 4.11Å; I12-F16 PolarHBondContact O-N 3.48Å; I13-F16 PolarHBondContact O-N 3.37Å; F16-L18 VanDerWaalsContact C-N 3.33Å; F16-L18 PolarHBondContact O-N 2.66Å; F16-V19 PolarHBondContact O-N 2.96Å; F16-T20 WeakPolarHBondContact O-CB 3.39Å; F16-T20 PolarHBondContact O-N 3.5Å; F16-T20 PolarHBondContact O-OG1 3.08Å
17	H	81.1	Confident	73.2	Confident	118 Å²	118	109.6 Å²	109.6	55%	0.546	55%	0.545	S	S	.	.	H	α-helix	trans	-63.2	-40.2	175.6	-83.5	-61.8	0	0	0	112	I13 L14 W15 T20 I21	I13-H17 PolarHBondContact O-CD2 3.11Å; I13-H17 VanDerWaalsContact O-CD2 3.26Å; I13-H17 PolarHBondContact O-N 2.87Å; L14-H17 PolarHBondContact O-N 2.93Å; W15-H17 PolarHBondContact O-N 3.18Å; H17-T20 PolarHBondContact O-N 2.79Å; H17-I21 WeakPolarHBondContact O-CB 3.41Å; H17-I21 WeakPolarHBondContact O-CD1 3.48Å; H17-I21 WeakPolarHBondContact O-CG1 3.26Å; H17-I21 PolarHBondContact O-N 2.92Å
18	L	79.6	Confident	71.3	Confident	98 Å²	98	112.1 Å²	112.1	51%	0.513	55%	0.552	S	S	.	*	H	α-helix	trans	-63.6	-47.2	175.9	-165	76	0	0	0	111.4	L14 W15 F16 T20 I21 I22	L14-L18 WeakPolarHBondContact O-CB 3.21Å; L14-L18 PolarHBondContact O-N 3.34Å; W15-L18 PolarHBondContact O-N 3.29Å; F16-L18 VanDerWaalsContact C-N 3.33Å; F16-L18 PolarHBondContact O-N 2.66Å; L18-T20 VanDerWaalsContact C-N 3.31Å; L18-T20 PolarHBondContact O-N 3.19Å; L18-I21 PolarHBondContact O-N 2.78Å; L18-I22 HydrophobicContact CD2-CD1 4.38Å; L18-I22 HydrophobicContact CG-CD1 3.98Å; L18-I22 WeakPolarHBondContact O-CB 3.31Å; L18-I22 WeakPolarHBondContact O-CG1 3.37Å; L18-I22 PolarHBondContact O-N 3.06Å
19	V	78.4	Confident	69.3	Low	46 Å²	46	113.5 Å²	113.5	28%	0.279	55%	0.551	S	S	.	*	H	α-helix	trans	-62	-39.1	176.1	171.9	0	0	0	0	111.1	W15 F16 I22 N23	W15-V19 HydrophobicContact CD2-CG2 4.28Å; W15-V19 HydrophobicContact CZ2-CG2 4.39Å; W15-V19 WeakPolarHBondContact O-CB 3.48Å; W15-V19 VanDerWaalsContact O-CG2 3.28Å; W15-V19 WeakPolarHBondContact O-CG2 3.3Å; W15-V19 PolarHBondContact O-N 3.21Å; F16-V19 PolarHBondContact O-N 2.96Å; V19-I22 PolarHBondContact O-N 2.9Å; V19-N23 VanDerWaalsContact O-CB 3.27Å; V19-N23 WeakPolarHBondContact O-CB 3.45Å; V19-N23 VanDerWaalsContact O-CG 3.31Å; V19-N23 PolarHBondContact O-N 3.42Å
20	T	76	Confident	67.5	Low	80 Å²	80	115.8 Å²	115.8	49%	0.491	56%	0.561	S	S	.	*	H	α-helix	trans	-69.1	-37.5	177.6	-40.9	0	0	0	0	111.2	F16 H17 L18 C24	F16-T20 WeakPolarHBondContact O-CB 3.39Å; F16-T20 PolarHBondContact O-N 3.5Å; F16-T20 PolarHBondContact O-OG1 3.08Å; H17-T20 PolarHBondContact O-N 2.79Å; L18-T20 VanDerWaalsContact C-N 3.31Å; L18-T20 PolarHBondContact O-N 3.19Å; T20-C24 WeakPolarHBondContact O-CB 3.47Å; T20-C24 PolarHBondContact O-N 3.28Å
21	I	70.9	Confident	66	Low	96 Å²	96	118 Å²	118	49%	0.492	57%	0.566	S	S	.	*	H	α-helix	trans	-67.8	-43.4	174.8	-70.7	164.3	0	0	0	110.5	H17 L18 C24 L25	H17-I21 WeakPolarHBondContact O-CB 3.41Å; H17-I21 WeakPolarHBondContact O-CD1 3.48Å; H17-I21 WeakPolarHBondContact O-CG1 3.26Å; H17-I21 PolarHBondContact O-N 2.92Å; L18-I21 PolarHBondContact O-N 2.78Å; I21-C24 PolarHBondContact O-N 3.05Å; I21-L25 HydrophobicContact CG2-CD1 3.75Å; I21-L25 HydrophobicContact CG2-CG 4.35Å; I21-L25 WeakPolarHBondContact O-CB 3.5Å; I21-L25 VanDerWaalsContact O-CG 3.31Å; I21-L25 WeakPolarHBondContact O-CG 2.89Å; I21-L25 PolarHBondContact O-N 2.88Å
22	I	65.4	Low	65.2	Low	78 Å²	78	116.9 Å²	116.9	40%	0.4	56%	0.562	S	S	.	*	H	α-helix	trans	-61.3	-48	175.3	-67.9	163.7	0	0	0	110.2	L18 V19 C24 L25 Q26	L18-I22 HydrophobicContact CD2-CD1 4.38Å; L18-I22 HydrophobicContact CG-CD1 3.98Å; L18-I22 WeakPolarHBondContact O-CB 3.31Å; L18-I22 WeakPolarHBondContact O-CG1 3.37Å; L18-I22 PolarHBondContact O-N 3.06Å; V19-I22 PolarHBondContact O-N 2.9Å; I22-C24 VanDerWaalsContact C-N 3.29Å; I22-C24 PolarHBondContact O-N 3.3Å; I22-L25 PolarHBondContact O-N 3.09Å; I22-Q26 PolarHBondContact O-N 2.92Å
23	N	56.1	Low	65	Low	93 Å²	93	115 Å²	115	50%	0.497	56%	0.555	S	S	.	*	H	α-helix	trans	-63.3	-34.5	176	-77.9	-18.4	0	0	0	112	V19 R27	V19-N23 VanDerWaalsContact O-CB 3.27Å; V19-N23 WeakPolarHBondContact O-CB 3.45Å; V19-N23 VanDerWaalsContact O-CG 3.31Å; V19-N23 PolarHBondContact O-N 3.42Å; N23-R27 WeakPolarHBondContact O-CB 3.15Å; N23-R27 PolarHBondContact O-N 3.05Å; N23-R27 VanDerWaalsContact O-N 3.08Å
24	C	51.6	Low	65.2	Low	93 Å²	93	112.1 Å²	112.1	63%	0.628	54%	0.542	S	S	*	.	H	α-helix	trans	-74.2	-35	177	-156.8	0	0	0	0	112.1	T20 I21 I22 R27	T20-C24 WeakPolarHBondContact O-CB 3.47Å; T20-C24 PolarHBondContact O-N 3.28Å; I21-C24 PolarHBondContact O-N 3.05Å; I22-C24 VanDerWaalsContact C-N 3.29Å; I22-C24 PolarHBondContact O-N 3.3Å; C24-R27 PolarHBondContact O-N 3.15Å
25	L	48.1	Very low	65.5	Low	130 Å²	130	107 Å²	107	68%	0.681	52%	0.515	S	S	*	.	H	α-helix	trans	-68	-39.4	172.6	-76.6	165.2	0	0	0	111.2	I21 I22	I21-L25 HydrophobicContact CG2-CD1 3.75Å; I21-L25 HydrophobicContact CG2-CG 4.35Å; I21-L25 WeakPolarHBondContact O-CB 3.5Å; I21-L25 VanDerWaalsContact O-CG 3.31Å; I21-L25 WeakPolarHBondContact O-CG 2.89Å; I21-L25 PolarHBondContact O-N 2.88Å; I22-L25 PolarHBondContact O-N 3.09Å
26	Q	39.3	Very low	65.9	Low	142 Å²	142	100.7 Å²	100.7	66%	0.664	50%	0.497	S	S	*	.	H	α-helix	trans	-71.3	-25.6	175	-88	177.9	-65.5	0	0	113.7	I22 K28	I22-Q26 PolarHBondContact O-N 2.92Å; Q26-K28 PolarHBondContact O-N 3.27Å
27	R	37	Very low	66.2	Low	226 Å²	226	96.3 Å²	96.3	85%	0.853	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	3.8	-175.2	-142.1	175.7	-173.4	174.8	2.8	114.8	N23 C24	N23-R27 WeakPolarHBondContact O-CB 3.15Å; N23-R27 PolarHBondContact O-N 3.05Å; N23-R27 VanDerWaalsContact O-N 3.08Å; C24-R27 PolarHBondContact O-N 3.15Å
28	K	41.5	Very low	66.7	Low	170 Å²	170	96 Å²	96	74%	0.739	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-2.2	-168	-131.8	-173.7	175.7	-164	0	117	Q26	Q26-K28 PolarHBondContact O-N 3.27Å
29	Y	42.8	Very low	67.3	Low	131 Å²	131	92.3 Å²	92.3	51%	0.514	47%	0.473	S	S	.	.	S	Bend	trans	-146.2	131.3	162.8	-113.4	-96.1	0	0	0	110.2	K31 E348	Y29-K31 PolarHBondContact O-N 3.26Å; Y29-E348 PolarHBondContact OH-OE1 2.77Å; Y29-E348 PolarHBondContact OH-OE2 3.26Å
30	D	47.7	Very low	67.9	Low	117 Å²	117	91.5 Å²	91.5	63%	0.626	47%	0.467	S	S	*	.			trans	-73.1	109.7	178.2	-156.6	-14.3	0	0	0	108.4	N32 T33	D30-N32 PolarHBondContact O-N 2.94Å; D30-T33 PolarHBondContact O-N 3.46Å; D30-T33 VanDerWaalsContact O-N 3.07Å; D30-T33 PolarHBondContact O-OG1 2.69Å
31	K	54.2	Low	68.8	Low	150 Å²	150	87.8 Å²	87.8	65%	0.652	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-7.8	178.3	-76.2	-169.1	171.9	-159.9	0	113.9	Y29	Y29-K31 PolarHBondContact O-N 3.26Å
32	N	68.2	Low	69.9	Low	105 Å²	105	83.7 Å²	83.7	56%	0.561	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	9.1	-178.3	-70.4	-20.1	0	0	0	114.6	D30 V34	D30-N32 PolarHBondContact O-N 2.94Å; N32-V34 PolarHBondContact O-N 2.93Å; N32-V34 VanDerWaalsContact O-N 3.13Å
33	T	85.3	Confident	71.3	Confident	43 Å²	43	80 Å²	80	26%	0.264	40%	0.404	S	S	.	.			trans	-60.4	119	177	-52.3	0	0	0	0	110.1	D30 P344 W345	D30-T33 PolarHBondContact O-N 3.46Å; D30-T33 VanDerWaalsContact O-N 3.07Å; D30-T33 PolarHBondContact O-OG1 2.69Å; T33-P344 HydrophobicContact CG2-CB 3.69Å; T33-P344 HydrophobicContact CG2-CG 3.74Å; T33-W345 HydrophobicContact CG2-CZ2 4.31Å; T33-W345 WeakPolarHBondContact O-CZ2 2.98Å
34	V	90.5	Very high	73.2	Confident	35 Å²	35	75.5 Å²	75.5	21%	0.212	38%	0.38	C	S	.	.			trans	-144.5	138	-172.2	66.4	0	0	0	0	108.9	N32 T94 I95 R96	N32-V34 PolarHBondContact O-N 2.93Å; N32-V34 VanDerWaalsContact O-N 3.13Å; V34-T94 HydrophobicContact CG2-CG2 3.33Å; V34-I95 WeakPolarHBondContact CG2-O 3.43Å; V34-R96 HydrophobicContact CG2-CG 4.07Å
35	A	92.5	Very high	75.4	Confident	1 Å²	1	71.1 Å²	71.1	1%	0.008	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	116.7	167.2	0	0	0	0	0	107.8	T94 I95 R342 P344 W345	A35-T94 CarbonylContact O-C 3.54Å; A35-T94 WeakPolarHBondContact O-CA 3.44Å; A35-I95 HydrophobicContact CB-CB 3.95Å; A35-I95 PolarHBondContact N-O 3.02Å; A35-I95 VanDerWaalsContact N-O 3.09Å; A35-I95 PolarHBondContact O-N 3Å; A35-R342 WeakPolarHBondContact CB-O 3.39Å; A35-P344 HydrophobicContact CB-CG 4.3Å; A35-W345 HydrophobicContact CB-CH2 4.5Å; A35-W345 HydrophobicContact CB-CZ3 3.94Å
36	S	91.6	Very high	77.7	Confident	36 Å²	36	64.9 Å²	64.9	25%	0.252	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	118.3	-175.9	-174	0	0	0	0	109.1	T93 E131	S36-T93 WeakPolarHBondContact CA-O 3.42Å; S36-E131 PolarHBondContact OG-OE1 3.48Å
37	I	93.3	Very high	80.5	Confident	34 Å²	34	58.1 Å²	58.1	17%	0.174	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	115.5	171.2	-56.7	-62	0	0	0	107.3	M42 L73 G92 T93 R342	I37-M42 WeakPolarHBondContact O-CE 3.5Å; I37-L73 HydrophobicContact CD1-CD2 4.27Å; I37-L73 HydrophobicContact CG1-CD2 3.63Å; I37-G92 CarbonylContact O-C 3.57Å; I37-G92 WeakPolarHBondContact O-CA 3.4Å; I37-T93 HydrophobicContact CB-CG2 4.21Å; I37-T93 HydrophobicContact CG1-CG2 4.22Å; I37-T93 PolarHBondContact N-O 3.32Å; I37-T93 PolarHBondContact O-N 2.92Å; I37-R342 HydrophobicContact CD1-CB 4.1Å
38	P	91.6	Very high	83.2	Confident	111 Å²	111	47.4 Å²	47.4	72%	0.721	25%	0.245	S	C	*	.			trans	-67.7	144.2	-178.1	28.5	-34.5	0	0	0	111.1
39	G	91.4	Very high	85.8	Confident	21 Å²	21	39.3 Å²	39.3	22%	0.216	21%	0.21	C	C	.	.			trans	-158.5	172.8	171.2	0	0	0	0	0	110.6
40	D	92.1	Very high	88.2	Confident	29 Å²	29	33.2 Å²	33.2	16%	0.155	19%	0.187	C	C	.	.	S	Bend	trans	-69	-36.9	179.3	-61.2	-65.6	0	0	0	112	L89 T90 N134 K458 L462	D40-L89 HydrophobicContact CB-CD2 4.47Å; D40-L89 WeakPolarHBondContact OD2-CA 3.49Å; D40-T90 WeakPolarHBondContact CB-O 3.35Å; D40-T90 PolarHBondContact N-O 2.96Å; D40-T90 PolarHBondContact N-OG1 3.27Å; D40-T90 VanDerWaalsContact N-OG1 3.11Å; D40-T90 PolarHBondContact OD2-N 2.9Å; D40-T90 PolarHBondContact OD2-OG1 2.91Å; D40-N134 PolarHBondContact O-ND2 2.86Å; D40-K458 WeakPolarHBondContact OD1-CE 3.22Å; D40-K458 IonicContact OD1-NZ 2.82Å; D40-K458 PolarHBondContact OD1-NZ 2.82Å; D40-K458 WeakPolarHBondContact OD2-CE 3.17Å; D40-K458 IonicContact OD2-NZ 2.8Å; D40-K458 PolarHBondContact OD2-NZ 3.14Å; D40-L462 HydrophobicContact CB-CD1 4.05Å; D40-L462 HydrophobicContact CB-CD2 3.83Å
41	I	93.2	Very high	90	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.015	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.6	174.6	-59.1	175.9	0	0	0	107.7	L89 T90 L91 G92 R136 L439 L462 M465	I41-L89 HydrophobicContact CD1-CD1 4.37Å; I41-T90 PolarHBondContact N-O 2.89Å; I41-L91 HydrophobicContact CB-CD1 4.29Å; I41-L91 HydrophobicContact CG2-CD1 4.29Å; I41-G92 PolarHBondContact O-N 3.43Å; I41-R136 HydrophobicContact CG2-CB 3.94Å; I41-R136 HydrophobicContact CG2-CG 3.73Å; I41-L439 HydrophobicContact CD1-CD1 4.43Å; I41-L439 HydrophobicContact CD1-CD2 4.15Å; I41-L439 HydrophobicContact CG2-CD1 3.95Å; I41-L439 HydrophobicContact CG2-CD2 4.32Å; I41-L462 HydrophobicContact CD1-CD2 4.22Å; I41-L462 HydrophobicContact CG1-CD2 3.79Å; I41-M465 HydrophobicContact CD1-CE 3.63Å; I41-M465 HydrophobicContact CD1-SD 4.25Å
42	M	94	Very high	91.3	Very high	9 Å²	9	25 Å²	25	4%	0.044	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	141.2	-176.7	-59.5	-63	-71.5	0	0	111	I37 T94 N134 T135 R136	I37-M42 WeakPolarHBondContact O-CE 3.5Å; M42-T94 WeakPolarHBondContact CE-OG1 3.36Å; M42-N134 HydrophobicContact CB-CB 4.37Å; M42-N134 HydrophobicContact CG-CB 4.03Å; M42-N134 PolarHBondContact N-O 3.28Å; M42-T135 CarbonylContact O-C 3.57Å; M42-T135 VanDerWaalsContact O-CA 3.28Å; M42-T135 WeakPolarHBondContact O-CA 3.49Å; M42-R136 PolarHBondContact O-N 3.29Å
43	L	95.8	Very high	91.7	Very high	0 Å²	0	21 Å²	21	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	135.4	164.9	-64	-176.6	0	0	0	110.6	M72 L91 G92 T93 T94 G137 V432 F435	L43-M72 HydrophobicContact CB-CE 4.01Å; L43-L91 HydrophobicContact CD1-CD1 4.14Å; L43-L91 HydrophobicContact CD1-CD2 3.77Å; L43-L91 HydrophobicContact CD1-CG 4.14Å; L43-L91 HydrophobicContact CD2-CD1 4.41Å; L43-L91 HydrophobicContact CG-CD1 3.85Å; L43-L91 HydrophobicContact CG-CD2 4.39Å; L43-L91 HydrophobicContact CG-CG 4.23Å; L43-G92 PolarHBondContact N-O 3.32Å; L43-T93 CarbonylContact O-C 3.58Å; L43-T93 WeakPolarHBondContact O-CA 3.41Å; L43-T93 WeakPolarHBondContact O-CB 3.21Å; L43-T93 PolarHBondContact O-OG1 3.41Å; L43-T94 PolarHBondContact O-N 3.31Å; L43-G137 WeakPolarHBondContact CA-O 3.45Å; L43-V432 HydrophobicContact CD1-CG1 4.41Å; L43-F435 HydrophobicContact CD1-CB 3.87Å; L43-F435 HydrophobicContact CD1-CD2 4.22Å; L43-F435 HydrophobicContact CD1-CG 4.24Å; L43-F435 HydrophobicContact CD2-CB 4.09Å; L43-F435 HydrophobicContact CD2-CD1 4.25Å; L43-F435 HydrophobicContact CD2-CD2 4.33Å; L43-F435 HydrophobicContact CD2-CG 3.98Å
44	G	95.6	Very high	90.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	142.9	167.5	0	0	0	0	0	110.3	T94 G137 V138 V139	G44-T94 CarbonylContact C-O 3.58Å; G44-G137 PolarHBondContact N-O 3.44Å; G44-V138 CarbonylContact O-C 3.58Å; G44-V138 VanDerWaalsContact O-CA 3.32Å; G44-V138 WeakPolarHBondContact O-CA 3.26Å; G44-V139 PolarHBondContact O-N 3.28Å
45	G	97.1	Very high	89.7	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.4	172.4	0	0	0	0	0	110.6	T94 I95 R96 V139	G45-T94 PolarHBondContact N-O 2.66Å; G45-I95 CarbonylContact O-C 3.56Å; G45-I95 WeakPolarHBondContact O-CA 3.39Å; G45-R96 PolarHBondContact O-N 2.76Å; G45-V139 WeakPolarHBondContact CA-O 3.07Å
46	L	97.5	Very high	88.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	113.4	173.3	-73.3	175.1	0	0	0	110.1	R96 T98 Q108 A109 F112 V138 V139 V150 F154 Y164	L46-R96 HydrophobicContact CD2-CB 4.26Å; L46-T98 HydrophobicContact CB-CG2 3.79Å; L46-T98 HydrophobicContact CD2-CG2 3.91Å; L46-T98 HydrophobicContact CG-CG2 4.36Å; L46-Q108 HydrophobicContact CD2-CB 4.32Å; L46-A109 HydrophobicContact CD1-CB 4.38Å; L46-F112 HydrophobicContact CD1-CE2 4.33Å; L46-F112 HydrophobicContact CD2-CE2 3.69Å; L46-F112 HydrophobicContact CD2-CZ 4.28Å; L46-F112 HydrophobicContact CG-CE2 3.79Å; L46-F112 HydrophobicContact CG-CZ 4.49Å; L46-V138 HydrophobicContact CD1-CG1 4.02Å; L46-V138 HydrophobicContact CG-CG1 4.09Å; L46-V139 PolarHBondContact N-O 2.93Å; L46-V150 HydrophobicContact CD1-CG1 3.64Å; L46-V150 HydrophobicContact CD1-CG2 4.41Å; L46-F154 HydrophobicContact CD1-CE2 4.23Å; L46-F154 HydrophobicContact CD1-CZ 4.09Å; L46-Y164 PolarHBondContact O-OH 3.47Å
47	F	97.5	Very high	88.6	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	145.1	-175.7	-64.2	-95.9	0	0	0	111.6	V49 R68 V69 M72 I95 R96 D97 T98 V139 Y164 V428	F47-V49 VanDerWaalsContact C-N 3.26Å; F47-V49 HydrophobicContact CB-CG2 4.19Å; F47-V49 PolarHBondContact O-N 3.38Å; F47-V49 VanDerWaalsContact O-N 3.07Å; F47-R68 HydrophobicContact CD1-CB 3.55Å; F47-R68 HydrophobicContact CE1-CB 3.74Å; F47-R68 VanDerWaalsContact CE1-O 3.26Å; F47-R68 WeakPolarHBondContact CE1-O 3.38Å; F47-V69 HydrophobicContact CB-CG2 3.67Å; F47-V69 HydrophobicContact CD1-CG2 4.18Å; F47-V69 HydrophobicContact CD2-CG2 4.14Å; F47-V69 HydrophobicContact CG-CG2 3.72Å; F47-M72 HydrophobicContact CE2-CB 4.37Å; F47-M72 HydrophobicContact CE2-SD 3.49Å; F47-M72 WeakPolarHBondContact CE2-SD 3.36Å; F47-M72 HydrophobicContact CZ-CB 3.78Å; F47-M72 HydrophobicContact CZ-CG 4.29Å; F47-M72 HydrophobicContact CZ-SD 3.65Å; F47-I95 HydrophobicContact CD2-CG2 3.55Å; F47-I95 HydrophobicContact CE2-CD1 4.5Å; F47-I95 HydrophobicContact CE2-CG1 4.39Å; F47-I95 HydrophobicContact CE2-CG2 4.02Å; F47-I95 HydrophobicContact CG-CG2 4.44Å; F47-R96 PolarHBondContact N-O 2.86Å; F47-R96 VanDerWaalsContact N-O 3.15Å; F47-D97 CarbonylContact O-C 3.48Å; F47-D97 WeakPolarHBondContact O-CA 3.48Å; F47-T98 VanDerWaalsContact C-OG1 3.31Å; F47-T98 PolarHBondContact O-N 3.37Å; F47-T98 PolarHBondContact O-OG1 3.31Å; F47-V139 HydrophobicContact CZ-CG1 4.35Å; F47-Y164 WeakPolarHBondContact CA-OH 3.05Å; F47-Y164 AromaticContact CD1-CE1 3.88Å; F47-Y164 HydrophobicContact CD1-CE1 3.88Å; F47-Y164 AromaticContact CD1-CZ 3.63Å; F47-Y164 VanDerWaalsContact CD1-OH 3.24Å; F47-Y164 WeakPolarHBondContact CD1-OH 3.35Å; F47-Y164 HydrophobicContact CE1-CD1 4.27Å; F47-Y164 AromaticContact CE1-CE1 3.51Å; F47-Y164 HydrophobicContact CE1-CE1 3.51Å; F47-Y164 AromaticContact CE1-CZ 3.71Å; F47-Y164 AromaticContact CZ-CE1 3.93Å; F47-Y164 HydrophobicContact CZ-CE1 3.93Å; F47-V428 HydrophobicContact CE1-CG1 4.04Å; F47-V428 HydrophobicContact CE1-CG2 4.41Å; F47-V428 HydrophobicContact CZ-CG1 4.21Å
48	P	94.6	Very high	88.2	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	24%	0.24	C	C	.	.			trans	-83.6	70.8	175.6	36.3	-36.5	0	0	0	109.8	H50 R64 G65 T98 S100 Y143 Y164	P48-H50 VanDerWaalsContact C-N 3.26Å; P48-H50 PolarHBondContact O-N 3.18Å; P48-R64 HydrophobicContact CG-CB 4.08Å; P48-G65 VanDerWaalsContact O-CA 3.27Å; P48-G65 WeakPolarHBondContact O-CA 3.19Å; P48-T98 VanDerWaalsContact CA-OG1 3.22Å; P48-T98 WeakPolarHBondContact CA-OG1 3.43Å; P48-S100 WeakPolarHBondContact CB-OG 3.32Å; P48-Y143 HydrophobicContact CB-CD2 4.17Å; P48-Y143 HydrophobicContact CB-CE2 3.73Å; P48-Y143 HydrophobicContact CG-CE2 4.28Å; P48-Y164 WeakPolarHBondContact CD-OH 3.3Å
49	V	94.9	Very high	87.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	23%	0.229	C	C	.	.			trans	-66.3	-35.9	-177.4	-172.9	0	0	0	0	110.5	F47 I60 N61 I66 V69 D97 W345	F47-V49 VanDerWaalsContact C-N 3.26Å; F47-V49 HydrophobicContact CB-CG2 4.19Å; F47-V49 PolarHBondContact O-N 3.38Å; F47-V49 VanDerWaalsContact O-N 3.07Å; V49-I60 HydrophobicContact CG1-CD1 4.47Å; V49-I60 HydrophobicContact CG1-CG1 4.29Å; V49-I60 CarbonylContact O-C 3.3Å; V49-I60 WeakPolarHBondContact O-CA 3.47Å; V49-N61 PolarHBondContact O-N 3.24Å; V49-I66 HydrophobicContact CG1-CD1 3.99Å; V49-V69 HydrophobicContact CG2-CG2 3.9Å; V49-D97 WeakPolarHBondContact CA-OD1 3.41Å; V49-D97 HydrophobicContact CB-CB 4Å; V49-D97 WeakPolarHBondContact CB-OD1 3.41Å; V49-D97 HydrophobicContact CG2-CB 3.97Å; V49-D97 PolarHBondContact N-OD1 3.4Å; V49-W345 HydrophobicContact CB-CD2 4.34Å; V49-W345 HydrophobicContact CB-CG 4.41Å; V49-W345 HydrophobicContact CG1-CB 3.6Å; V49-W345 HydrophobicContact CG1-CD2 3.85Å; V49-W345 HydrophobicContact CG1-CE3 4.37Å; V49-W345 HydrophobicContact CG1-CG 3.5Å; V49-W345 HydrophobicContact CG2-CD2 4.04Å; V49-W345 HydrophobicContact CG2-CE3 3.98Å; V49-W345 HydrophobicContact CG2-CH2 4.5Å; V49-W345 HydrophobicContact CG2-CZ3 4.23Å
50	H	92.9	Very high	87.9	Confident	4 Å²	4	35.9 Å²	35.9	2%	0.019	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-116.3	157.5	172.6	-60.4	92.6	0	0	0	112.7	P48 C57 E58 S59 D97 C99 S100 W345 E348	P48-H50 VanDerWaalsContact C-N 3.26Å; P48-H50 PolarHBondContact O-N 3.18Å; H50-C57 HydrophobicContact CB-CB 3.69Å; H50-E58 PolarHBondContact CD2-O 3.44Å; H50-E58 VanDerWaalsContact CD2-O 3.25Å; H50-S59 CarbonylContact C-O 3.5Å; H50-S59 WeakPolarHBondContact CA-O 3.25Å; H50-D97 IonicContact CE1-OD2 3.03Å; H50-D97 IonicContact CG-OD2 2.72Å; H50-D97 PolarHBondContact N-OD1 2.86Å; H50-D97 IonicContact ND1-OD2 3.56Å; H50-D97 PolarHBondContact ND1-OD2 3.24Å; H50-C99 CarbonylContact O-C 3.47Å; H50-C99 WeakPolarHBondContact O-CA 3.42Å; H50-S100 PolarHBondContact O-N 3.38Å; H50-S100 PolarHBondContact O-OG 3.15Å; H50-W345 AromaticContact CE1-CD1 3.64Å; H50-E348 IonicContact CD2-OE1 2.73Å; H50-E348 IonicContact CE1-OE2 3.78Å; H50-E348 VanDerWaalsContact NE2-CD 3.27Å; H50-E348 IonicContact NE2-OE1 3.68Å; H50-E348 PolarHBondContact NE2-OE1 2.7Å; H50-E348 IonicContact NE2-OE2 2.64Å; H50-E348 PolarHBondContact NE2-OE2 3.45Å
51	T	86.8	Confident	87.7	Confident	39 Å²	39	35.4 Å²	35.4	24%	0.239	22%	0.218	C	C	.	.			trans	-71.5	158.5	166.1	58.6	0	0	0	0	111.1	E58 S59 C99	T51-E58 PolarHBondContact O-N 3.47Å; T51-E58 VanDerWaalsContact OG1-CB 3.23Å; T51-E58 WeakPolarHBondContact OG1-CB 3.36Å; T51-S59 PolarHBondContact N-O 3.01Å; T51-S59 PolarHBondContact OG1-N 2.9Å; T51-S59 PolarHBondContact OG1-O 2.93Å; T51-S59 PolarHBondContact OG1-OG 3.2Å; T51-C99 CarbonylContact C-O 3.56Å; T51-C99 VanDerWaalsContact C-O 3.3Å
52	S	81.7	Confident	87.5	Confident	54 Å²	54	37.3 Å²	37.3	38%	0.378	23%	0.231	S	C	.	.			trans	-72.1	142.6	177.6	-176	0	0	0	0	110.3	C99	S52-C99 WeakPolarHBondContact CA-O 3.49Å; S52-C99 PolarHBondContact N-O 3.32Å; S52-C99 VanDerWaalsContact N-O 3.14Å
53	G	75.3	Confident	87.1	Confident	21 Å²	21	40.6 Å²	40.6	22%	0.216	25%	0.246	C	C	.	.			trans	-139.7	167.5	175.4	0	0	0	0	0	112.2	T55 T56 E58	G53-T55 VanDerWaalsContact C-N 3.35Å; G53-T55 PolarHBondContact O-N 2.93Å; G53-T56 CarbonylContact C-O 3.53Å; G53-T56 VanDerWaalsContact CA-O 3.28Å; G53-T56 WeakPolarHBondContact CA-O 3.41Å; G53-E58 WeakPolarHBondContact CA-OE1 3.49Å
54	V	68.1	Low	86.7	Confident	143 Å²	143	42.1 Å²	42.1	87%	0.867	25%	0.251	S	S	*	.	S	Bend	trans	-61.9	-38.8	-169.3	-176	0	0	0	0	113.3
55	T	66.7	Low	86.6	Confident	131 Å²	131	42.1 Å²	42.1	80%	0.804	25%	0.251	S	S	*	.	S	Bend	trans	-131.6	-19.3	-179.3	52.5	0	0	0	0	113.8	G53	G53-T55 VanDerWaalsContact C-N 3.35Å; G53-T55 PolarHBondContact O-N 2.93Å
56	T	76.2	Confident	86.5	Confident	92 Å²	92	42.1 Å²	42.1	56%	0.564	25%	0.251	S	S	*	.	S	Bend	trans	-144.9	155.6	-173.1	51	0	0	0	0	108.7	G53 E58	G53-T56 CarbonylContact C-O 3.53Å; G53-T56 VanDerWaalsContact CA-O 3.28Å; G53-T56 WeakPolarHBondContact CA-O 3.41Å; T56-E58 PolarHBondContact O-N 2.94Å
57	C	83.7	Confident	86.4	Confident	46 Å²	46	42.3 Å²	42.3	31%	0.311	25%	0.252	S	S	.	.			trans	-54.7	136.6	169	-44.7	0	0	0	0	109.7	H50 C99	H50-C57 HydrophobicContact CB-CB 3.69Å; C57-C99 HydrophobicContact CB-CB 3.69Å; C57-C99 WeakPolarHBondContact CB-SG 3.44Å; C57-C99 WeakPolarHBondContact SG-CB 3.49Å; C57-C99 CovalentContact SG-SG 2.01Å; C57-C99 PolarHBondContact SG-SG 3.23Å
58	E	84.8	Confident	86.4	Confident	105 Å²	105	42.4 Å²	42.4	49%	0.491	25%	0.253	S	S	.	.			trans	-96.7	-137.2	-175.8	-89	-179.6	-162.7	0	0	110.8	H50 T51 G53 T56	H50-E58 PolarHBondContact CD2-O 3.44Å; H50-E58 VanDerWaalsContact CD2-O 3.25Å; T51-E58 PolarHBondContact O-N 3.47Å; T51-E58 VanDerWaalsContact OG1-CB 3.23Å; T51-E58 WeakPolarHBondContact OG1-CB 3.36Å; G53-E58 WeakPolarHBondContact CA-OE1 3.49Å; T56-E58 PolarHBondContact O-N 2.94Å
59	S	87.2	Confident	86.5	Confident	69 Å²	69	42.4 Å²	42.4	48%	0.483	25%	0.253	S	S	.	.	S	Bend	trans	-60.3	143.1	-178.1	47.1	0	0	0	0	112.2	H50 T51	H50-S59 CarbonylContact C-O 3.5Å; H50-S59 WeakPolarHBondContact CA-O 3.25Å; T51-S59 PolarHBondContact N-O 3.01Å; T51-S59 PolarHBondContact OG1-N 2.9Å; T51-S59 PolarHBondContact OG1-O 2.93Å; T51-S59 PolarHBondContact OG1-OG 3.2Å
60	I	90.1	Very high	86.7	Confident	8 Å²	8	42.4 Å²	42.4	4%	0.041	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-61	146	169.5	-164	151.6	0	0	0	110.3	V49 P62 I66 W345 E348 D352	V49-I60 HydrophobicContact CG1-CD1 4.47Å; V49-I60 HydrophobicContact CG1-CG1 4.29Å; V49-I60 CarbonylContact O-C 3.3Å; V49-I60 WeakPolarHBondContact O-CA 3.47Å; I60-P62 VanDerWaalsContact O-CD 3.32Å; I60-P62 WeakPolarHBondContact O-CD 3.45Å; I60-I66 HydrophobicContact CD1-CD1 3.84Å; I60-I66 HydrophobicContact CD1-CG1 4.19Å; I60-I66 HydrophobicContact CG1-CD1 4.12Å; I60-I66 HydrophobicContact CG1-CG1 4.06Å; I60-W345 HydrophobicContact CD1-CB 4.25Å; I60-W345 WeakPolarHBondContact CD1-O 3.44Å; I60-E348 HydrophobicContact CB-CG 4.35Å; I60-E348 HydrophobicContact CD1-CB 3.85Å; I60-E348 HydrophobicContact CD1-CG 3.73Å; I60-D352 HydrophobicContact CG2-CB 3.99Å
61	N	88.7	Confident	86.9	Confident	20 Å²	20	42.3 Å²	42.3	11%	0.107	25%	0.252	C	S	.	.			trans	-106.1	99.8	178.6	-167.3	-34	0	0	0	109.5	V49 E63 R64 G65 I66	V49-N61 PolarHBondContact O-N 3.24Å; N61-E63 VanDerWaalsContact C-N 3.33Å; N61-E63 PolarHBondContact O-N 2.87Å; N61-E63 PolarHBondContact OD1-N 2.76Å; N61-R64 PolarHBondContact OD1-N 2.92Å; N61-G65 CarbonylContact O-C 3.12Å; N61-G65 WeakPolarHBondContact O-CA 3.46Å; N61-G65 PolarHBondContact O-N 3.46Å; N61-I66 PolarHBondContact O-N 3.46Å
62	P	88.9	Confident	87.4	Confident	43 Å²	43	40.4 Å²	40.4	28%	0.279	24%	0.241	S	C	.	.	I	π-helix	trans	-57.4	-43.9	-178.1	-29.4	38.1	0	0	0	113.4	I60 I66 Q67 Y349	I60-P62 VanDerWaalsContact O-CD 3.32Å; I60-P62 WeakPolarHBondContact O-CD 3.45Å; P62-I66 WeakPolarHBondContact O-CB 3.24Å; P62-I66 PolarHBondContact O-N 3.28Å; P62-Q67 PolarHBondContact O-N 3.41Å; P62-Q67 VanDerWaalsContact O-N 3.14Å; P62-Y349 HydrophobicContact CB-CD2 4.1Å; P62-Y349 HydrophobicContact CB-CE2 3.55Å; P62-Y349 HydrophobicContact CG-CD2 4.08Å; P62-Y349 HydrophobicContact CG-CE2 3.81Å
63	E	85.8	Confident	88.2	Confident	78 Å²	78	37.9 Å²	37.9	36%	0.364	22%	0.223	S	C	.	.	I	π-helix	trans	-84.6	-62.5	-171.7	-65.1	173.3	167.2	0	0	111.1	N61 G65 Q67 E422	N61-E63 VanDerWaalsContact C-N 3.33Å; N61-E63 PolarHBondContact O-N 2.87Å; N61-E63 PolarHBondContact OD1-N 2.76Å; E63-G65 PolarHBondContact O-N 3.06Å; E63-Q67 WeakPolarHBondContact O-CB 3.49Å; E63-E422 HydrophobicContact CB-CB 4.44Å; E63-E422 HydrophobicContact CB-CG 4.19Å
64	R	87.8	Confident	89.2	Confident	31 Å²	31	37.9 Å²	37.9	12%	0.117	22%	0.217	C	C	.	.	I	π-helix	trans	-78	-23.2	-174.4	-55	-178.5	174.9	-170.7	-7	113.3	P48 N61 R68 Y143 M272 E302	P48-R64 HydrophobicContact CG-CB 4.08Å; N61-R64 PolarHBondContact OD1-N 2.92Å; R64-R68 VanDerWaalsContact O-CD 3.22Å; R64-R68 WeakPolarHBondContact O-CD 3.36Å; R64-R68 WeakPolarHBondContact O-CG 3.31Å; R64-Y143 PolarHBondContact NH1-OH 3.33Å; R64-M272 VanDerWaalsContact CZ-CE 3.42Å; R64-M272 VanDerWaalsContact NH2-CE 3.3Å; R64-M272 PolarHBondContact NH2-SD 3.07Å; R64-M272 VanDerWaalsContact NH2-SD 3.37Å; R64-E302 IonicContact NH2-OE1 3.75Å
65	G	92.2	Very high	90.6	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.176	C	C	.	.	I	π-helix	trans	-90.4	-74.6	178.5	0	0	0	0	0	110.5	P48 N61 E63 R68 V69	P48-G65 VanDerWaalsContact O-CA 3.27Å; P48-G65 WeakPolarHBondContact O-CA 3.19Å; N61-G65 CarbonylContact O-C 3.12Å; N61-G65 WeakPolarHBondContact O-CA 3.46Å; N61-G65 PolarHBondContact O-N 3.46Å; E63-G65 PolarHBondContact O-N 3.06Å; G65-R68 PolarHBondContact O-N 3.01Å; G65-V69 WeakPolarHBondContact O-CG2 3.48Å; G65-V69 PolarHBondContact O-N 2.94Å
66	I	95.3	Very high	92	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.137	C	C	.	.	I	π-helix	trans	-68.2	-49.9	-167.3	-58.2	-66.7	0	0	0	112.5	V49 I60 N61 P62 R68 V69 E70 Y333 W345 F346 Y349	V49-I66 HydrophobicContact CG1-CD1 3.99Å; I60-I66 HydrophobicContact CD1-CD1 3.84Å; I60-I66 HydrophobicContact CD1-CG1 4.19Å; I60-I66 HydrophobicContact CG1-CD1 4.12Å; I60-I66 HydrophobicContact CG1-CG1 4.06Å; N61-I66 PolarHBondContact O-N 3.46Å; P62-I66 WeakPolarHBondContact O-CB 3.24Å; P62-I66 PolarHBondContact O-N 3.28Å; I66-R68 PolarHBondContact O-N 3.28Å; I66-V69 PolarHBondContact O-N 3.03Å; I66-E70 HydrophobicContact CG2-CG 4.32Å; I66-E70 WeakPolarHBondContact O-CB 3.21Å; I66-E70 WeakPolarHBondContact O-CG 3.4Å; I66-E70 PolarHBondContact O-N 3.15Å; I66-Y333 HydrophobicContact CG2-CE2 4.26Å; I66-W345 HydrophobicContact CD1-CB 3.88Å; I66-F346 HydrophobicContact CG2-CD2 3.99Å; I66-F346 HydrophobicContact CG2-CE2 4.34Å; I66-Y349 HydrophobicContact CG1-CD1 4.45Å; I66-Y349 HydrophobicContact CG1-CD2 4.39Å; I66-Y349 HydrophobicContact CG1-CG 4Å; I66-Y349 HydrophobicContact CG2-CD1 3.87Å; I66-Y349 HydrophobicContact CG2-CE1 4.26Å; I66-Y349 HydrophobicContact CG2-CG 4.28Å
67	Q	96	Very high	93	Very high	4 Å²	4	23 Å²	23	2%	0.019	12%	0.124	C	C	.	.	I	π-helix	trans	-59.1	-38.3	179.1	-63.3	-176.4	42	0	0	111.8	P62 E63 E70 A71 F329 Y333 I425	P62-Q67 PolarHBondContact O-N 3.41Å; P62-Q67 VanDerWaalsContact O-N 3.14Å; E63-Q67 WeakPolarHBondContact O-CB 3.49Å; Q67-E70 PolarHBondContact O-N 3.39Å; Q67-A71 WeakPolarHBondContact O-CB 3.34Å; Q67-A71 PolarHBondContact O-N 2.98Å; Q67-F329 HydrophobicContact CB-CZ 4.34Å; Q67-F329 WeakPolarHBondContact O-CZ 3.29Å; Q67-Y333 HydrophobicContact CB-CE2 4.44Å; Q67-Y333 HydrophobicContact CG-CD2 4.5Å; Q67-Y333 HydrophobicContact CG-CE1 3.97Å; Q67-Y333 HydrophobicContact CG-CE2 3.87Å; Q67-I425 VanDerWaalsContact C-CD1 3.41Å; Q67-I425 HydrophobicContact CB-CD1 3.56Å; Q67-I425 HydrophobicContact CB-CG1 4.42Å; Q67-I425 WeakPolarHBondContact O-CD1 3.29Å
68	R	96.8	Very high	93.5	Very high	3 Å²	3	23 Å²	23	1%	0.011	12%	0.12	C	C	.	.	H	α-helix	trans	-72.8	-36.8	-179.1	-61.2	-166.5	-171.7	154.2	-6.9	113.3	F47 R64 G65 I66 A71 M72 S142 E422 I425 V428	F47-R68 HydrophobicContact CD1-CB 3.55Å; F47-R68 HydrophobicContact CE1-CB 3.74Å; F47-R68 VanDerWaalsContact CE1-O 3.26Å; F47-R68 WeakPolarHBondContact CE1-O 3.38Å; R64-R68 VanDerWaalsContact O-CD 3.22Å; R64-R68 WeakPolarHBondContact O-CD 3.36Å; R64-R68 WeakPolarHBondContact O-CG 3.31Å; G65-R68 PolarHBondContact O-N 3.01Å; I66-R68 PolarHBondContact O-N 3.28Å; R68-A71 WeakPolarHBondContact O-CB 3.17Å; R68-A71 PolarHBondContact O-N 3.42Å; R68-M72 PolarHBondContact O-N 3.03Å; R68-M72 VanDerWaalsContact O-N 3.1Å; R68-S142 PolarHBondContact NH1-OG 3.17Å; R68-E422 IonicContact CZ-OE1 2.68Å; R68-E422 IonicContact CZ-OE2 3.05Å; R68-E422 IonicContact NE-OE1 2.9Å; R68-E422 IonicContact NE-OE2 2.59Å; R68-E422 PolarHBondContact NE-OE2 3.41Å; R68-E422 VanDerWaalsContact NH2-CD 3.34Å; R68-E422 IonicContact NH2-OE1 3.73Å; R68-E422 PolarHBondContact NH2-OE1 3.49Å; R68-E422 IonicContact NH2-OE2 2.84Å; R68-E422 PolarHBondContact NH2-OE2 3.49Å; R68-I425 HydrophobicContact CB-CD1 4.43Å; R68-I425 HydrophobicContact CG-CD1 3.85Å; R68-V428 HydrophobicContact CB-CG2 4.03Å; R68-V428 HydrophobicContact CG-CG2 4.07Å
69	V	97.7	Very high	94.1	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.6	-47.8	170.3	169.8	0	0	0	0	109.9	F47 V49 G65 I66 A71 M72 L73 I95 W345	F47-V69 HydrophobicContact CB-CG2 3.67Å; F47-V69 HydrophobicContact CD1-CG2 4.18Å; F47-V69 HydrophobicContact CD2-CG2 4.14Å; F47-V69 HydrophobicContact CG-CG2 3.72Å; V49-V69 HydrophobicContact CG2-CG2 3.9Å; G65-V69 WeakPolarHBondContact O-CG2 3.48Å; G65-V69 PolarHBondContact O-N 2.94Å; I66-V69 PolarHBondContact O-N 3.03Å; V69-A71 VanDerWaalsContact C-N 3.26Å; V69-A71 PolarHBondContact O-N 3.05Å; V69-M72 PolarHBondContact O-N 3.05Å; V69-L73 HydrophobicContact CG1-CD1 4.05Å; V69-L73 WeakPolarHBondContact O-CG 3.4Å; V69-L73 PolarHBondContact O-N 3.02Å; V69-L73 VanDerWaalsContact O-N 3.08Å; V69-I95 HydrophobicContact CG1-CD1 3.99Å; V69-I95 HydrophobicContact CG1-CG2 4.32Å; V69-I95 HydrophobicContact CG2-CG2 4.01Å; V69-W345 HydrophobicContact CG1-CE3 4.5Å; V69-W345 HydrophobicContact CG1-CZ3 4.42Å
70	E	97.5	Very high	94.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.3	-35.4	176.1	-71.8	-54	146.5	0	0	112.2	I66 Q67 L73 F74 F329 Y332 Y333 L336 N340 N343	I66-E70 HydrophobicContact CG2-CG 4.32Å; I66-E70 WeakPolarHBondContact O-CB 3.21Å; I66-E70 WeakPolarHBondContact O-CG 3.4Å; I66-E70 PolarHBondContact O-N 3.15Å; Q67-E70 PolarHBondContact O-N 3.39Å; E70-L73 PolarHBondContact O-N 2.78Å; E70-F74 WeakPolarHBondContact O-CB 3.47Å; E70-F74 PolarHBondContact O-N 3.15Å; E70-F329 HydrophobicContact CB-CE2 4.05Å; E70-F329 HydrophobicContact CB-CZ 4.28Å; E70-Y332 HydrophobicContact CB-CE1 4.18Å; E70-Y332 PolarHBondContact OE2-OH 3.47Å; E70-Y333 HydrophobicContact CB-CD2 4.06Å; E70-Y333 HydrophobicContact CB-CE2 4.36Å; E70-Y333 HydrophobicContact CG-CD2 4.06Å; E70-Y333 HydrophobicContact CG-CE2 4.05Å; E70-L336 HydrophobicContact CG-CD1 3.95Å; E70-N340 PolarHBondContact OE1-ND2 2.96Å; E70-N343 WeakPolarHBondContact OE1-CB 3.33Å; E70-N343 PolarHBondContact OE1-ND2 3.4Å
71	A	97.3	Very high	94.7	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.008	12%	0.122	C	C	.	.	H	α-helix	trans	-64.6	-44.1	176.9	0	0	0	0	0	111.6	Q67 R68 V69 L73 F74 T75 F329 I425 V428	Q67-A71 WeakPolarHBondContact O-CB 3.34Å; Q67-A71 PolarHBondContact O-N 2.98Å; R68-A71 WeakPolarHBondContact O-CB 3.17Å; R68-A71 PolarHBondContact O-N 3.42Å; V69-A71 VanDerWaalsContact C-N 3.26Å; V69-A71 PolarHBondContact O-N 3.05Å; A71-L73 VanDerWaalsContact C-N 3.35Å; A71-L73 PolarHBondContact O-N 3.45Å; A71-F74 PolarHBondContact O-N 2.97Å; A71-T75 WeakPolarHBondContact O-CB 3.2Å; A71-T75 PolarHBondContact O-N 3.23Å; A71-T75 PolarHBondContact O-OG1 3.05Å; A71-F329 VanDerWaalsContact CA-CE2 3.42Å; A71-F329 HydrophobicContact CB-CD2 4.29Å; A71-F329 HydrophobicContact CB-CE2 3.83Å; A71-F329 HydrophobicContact CB-CZ 4.13Å; A71-I425 HydrophobicContact CB-CD1 3.89Å; A71-I425 HydrophobicContact CB-CG2 3.73Å; A71-V428 HydrophobicContact CB-CB 4.17Å; A71-V428 HydrophobicContact CB-CG1 4Å
72	M	97.8	Very high	94.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.9	-44.4	175.3	-176.1	174.5	-168.3	0	0	111.6	L43 F47 R68 V69 T75 L76 T93 I95 V139 V428 V432	L43-M72 HydrophobicContact CB-CE 4.01Å; F47-M72 HydrophobicContact CE2-CB 4.37Å; F47-M72 HydrophobicContact CE2-SD 3.49Å; F47-M72 WeakPolarHBondContact CE2-SD 3.36Å; F47-M72 HydrophobicContact CZ-CB 3.78Å; F47-M72 HydrophobicContact CZ-CG 4.29Å; F47-M72 HydrophobicContact CZ-SD 3.65Å; R68-M72 PolarHBondContact O-N 3.03Å; R68-M72 VanDerWaalsContact O-N 3.1Å; V69-M72 PolarHBondContact O-N 3.05Å; M72-T75 PolarHBondContact O-N 2.97Å; M72-L76 HydrophobicContact CG-CD1 4.19Å; M72-L76 WeakPolarHBondContact O-CD1 3.36Å; M72-L76 VanDerWaalsContact O-CG 3.3Å; M72-L76 WeakPolarHBondContact O-CG 3.22Å; M72-L76 PolarHBondContact O-N 3.03Å; M72-T93 HydrophobicContact CE-CG2 4.5Å; M72-T93 WeakPolarHBondContact CE-OG1 3.35Å; M72-I95 HydrophobicContact CB-CD1 4.26Å; M72-I95 HydrophobicContact CG-CD1 4.22Å; M72-I95 HydrophobicContact SD-CD1 3.81Å; M72-I95 HydrophobicContact SD-CG1 3.79Å; M72-V139 HydrophobicContact CE-CB 4.11Å; M72-V139 HydrophobicContact CE-CG2 4.12Å; M72-V139 HydrophobicContact SD-CB 4.45Å; M72-V428 HydrophobicContact CB-CG1 4.15Å; M72-V432 HydrophobicContact CB-CG2 4.47Å; M72-V432 HydrophobicContact CG-CG2 3.9Å
73	L	97.9	Very high	94.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.1	-45.7	178.8	-72.5	178.2	0	0	0	112.3	I37 V69 E70 A71 L76 D77 T93 I95 R342 N343	I37-L73 HydrophobicContact CD1-CD2 4.27Å; I37-L73 HydrophobicContact CG1-CD2 3.63Å; V69-L73 HydrophobicContact CG1-CD1 4.05Å; V69-L73 WeakPolarHBondContact O-CG 3.4Å; V69-L73 PolarHBondContact O-N 3.02Å; V69-L73 VanDerWaalsContact O-N 3.08Å; E70-L73 PolarHBondContact O-N 2.78Å; A71-L73 VanDerWaalsContact C-N 3.35Å; A71-L73 PolarHBondContact O-N 3.45Å; L73-L76 PolarHBondContact O-N 3.43Å; L73-D77 PolarHBondContact O-N 2.75Å; L73-T93 HydrophobicContact CD2-CG2 4.2Å; L73-I95 HydrophobicContact CD2-CD1 3.95Å; L73-I95 HydrophobicContact CG-CD1 3.98Å; L73-R342 HydrophobicContact CD1-CG 4.14Å; L73-R342 PolarHBondContact O-NH2 3.27Å; L73-N343 HydrophobicContact CD1-CB 4.2Å
74	F	97.2	Very high	95.2	Very high	21 Å²	21	31.9 Å²	31.9	9%	0.092	17%	0.165	C	C	.	.	H	α-helix	trans	-59	-46.8	173.6	170.2	-98.8	0	0	0	111.9	E70 A71 L76 D77 E78 I326 A328 F329 Y332	E70-F74 WeakPolarHBondContact O-CB 3.47Å; E70-F74 PolarHBondContact O-N 3.15Å; A71-F74 PolarHBondContact O-N 2.97Å; F74-L76 VanDerWaalsContact C-N 3.31Å; F74-L76 PolarHBondContact O-N 3.19Å; F74-D77 PolarHBondContact O-N 2.94Å; F74-D77 VanDerWaalsContact O-N 3.17Å; F74-E78 HydrophobicContact CE1-CG 4.25Å; F74-E78 WeakPolarHBondContact CE1-OE2 3.39Å; F74-E78 HydrophobicContact CZ-CG 4.13Å; F74-E78 VanDerWaalsContact CZ-OE2 3.23Å; F74-E78 WeakPolarHBondContact CZ-OE2 3.34Å; F74-E78 PolarHBondContact O-N 2.67Å; F74-E78 VanDerWaalsContact O-N 3.11Å; F74-I326 HydrophobicContact CE1-CG2 4.5Å; F74-A328 HydrophobicContact CZ-CB 3.94Å; F74-F329 HydrophobicContact CB-CD2 4.03Å; F74-F329 HydrophobicContact CB-CE2 4.47Å; F74-F329 HydrophobicContact CD1-CB 4.08Å; F74-F329 AromaticContact CD1-CD2 3.93Å; F74-F329 HydrophobicContact CD1-CD2 3.93Å; F74-F329 HydrophobicContact CD1-CG 4.5Å; F74-F329 HydrophobicContact CE1-CB 3.9Å; F74-F329 AromaticContact CG-CD2 3.93Å; F74-F329 HydrophobicContact CG-CD2 3.93Å; F74-F329 HydrophobicContact CZ-CB 4.29Å; F74-Y332 HydrophobicContact CB-CD1 3.91Å; F74-Y332 HydrophobicContact CB-CE1 3.85Å; F74-Y332 AromaticContact CD2-CD1 3.73Å; F74-Y332 HydrophobicContact CD2-CD1 3.73Å; F74-Y332 HydrophobicContact CD2-CD2 4.2Å; F74-Y332 HydrophobicContact CD2-CE1 4.39Å; F74-Y332 AromaticContact CD2-CG 3.62Å; F74-Y332 HydrophobicContact CD2-CG 3.62Å; F74-Y332 HydrophobicContact CE2-CG 4.26Å; F74-Y332 HydrophobicContact CG-CD1 4.09Å; F74-Y332 HydrophobicContact CG-CG 4.44Å
75	T	97.1	Very high	95.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63	-38.7	-179.3	-50.1	0	0	0	0	111.8	A71 M72 D77 E78 I79 Y429 V432 Y433	A71-T75 WeakPolarHBondContact O-CB 3.2Å; A71-T75 PolarHBondContact O-N 3.23Å; A71-T75 PolarHBondContact O-OG1 3.05Å; M72-T75 PolarHBondContact O-N 2.97Å; T75-D77 VanDerWaalsContact C-N 3.34Å; T75-E78 PolarHBondContact O-N 3.38Å; T75-I79 HydrophobicContact CG2-CD1 3.9Å; T75-I79 WeakPolarHBondContact O-CD1 3.25Å; T75-I79 WeakPolarHBondContact O-CG1 3.21Å; T75-I79 PolarHBondContact O-N 3.21Å; T75-Y429 HydrophobicContact CG2-CD2 3.52Å; T75-Y429 HydrophobicContact CG2-CE2 3.76Å; T75-Y429 HydrophobicContact CG2-CG 4.18Å; T75-Y429 WeakPolarHBondContact OG1-CD2 3.13Å; T75-V432 HydrophobicContact CG2-CB 3.69Å; T75-V432 HydrophobicContact CG2-CG1 3.76Å; T75-V432 HydrophobicContact CG2-CG2 4.42Å; T75-Y433 HydrophobicContact CG2-CD2 3.46Å; T75-Y433 VanDerWaalsContact CG2-CD2 3.46Å; T75-Y433 HydrophobicContact CG2-CE2 3.57Å
76	L	96.9	Very high	95.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.7	-40.4	175.7	-75.9	162.8	0	0	0	112.2	M72 L73 F74 I79 N80 L91 T93 V432	M72-L76 HydrophobicContact CG-CD1 4.19Å; M72-L76 WeakPolarHBondContact O-CD1 3.36Å; M72-L76 VanDerWaalsContact O-CG 3.3Å; M72-L76 WeakPolarHBondContact O-CG 3.22Å; M72-L76 PolarHBondContact O-N 3.03Å; L73-L76 PolarHBondContact O-N 3.43Å; F74-L76 VanDerWaalsContact C-N 3.31Å; F74-L76 PolarHBondContact O-N 3.19Å; L76-I79 PolarHBondContact O-N 3.29Å; L76-N80 WeakPolarHBondContact O-CB 3.39Å; L76-N80 PolarHBondContact O-N 3.24Å; L76-N80 PolarHBondContact O-ND2 3.12Å; L76-L91 HydrophobicContact CD2-CB 3.97Å; L76-L91 HydrophobicContact CD2-CD2 3.72Å; L76-L91 HydrophobicContact CD2-CG 3.65Å; L76-T93 HydrophobicContact CD1-CG2 3.21Å; L76-V432 HydrophobicContact CD2-CG1 4.37Å; L76-V432 HydrophobicContact CG-CG1 4.46Å
77	D	96.3	Very high	95.2	Very high	54 Å²	54	32.9 Å²	32.9	29%	0.289	17%	0.173	S	C	.	.	H	α-helix	trans	-64.5	-42.9	177.4	-61	-16.4	0	0	0	110.7	L73 F74 T75 N80 N81 R342	L73-D77 PolarHBondContact O-N 2.75Å; F74-D77 PolarHBondContact O-N 2.94Å; F74-D77 VanDerWaalsContact O-N 3.17Å; T75-D77 VanDerWaalsContact C-N 3.34Å; D77-N80 PolarHBondContact O-N 3.48Å; D77-N81 VanDerWaalsContact O-CB 3.25Å; D77-N81 WeakPolarHBondContact O-CB 3.49Å; D77-N81 PolarHBondContact O-N 2.96Å; D77-N81 PolarHBondContact O-ND2 2.87Å; D77-R342 IonicContact OD1-CZ 3.43Å; D77-R342 IonicContact OD1-NH1 2.7Å; D77-R342 IonicContact OD1-NH2 2.64Å; D77-R342 PolarHBondContact OD1-NH2 3.22Å; D77-R342 IonicContact OD2-CZ 3.07Å; D77-R342 IonicContact OD2-NH1 3.26Å; D77-R342 PolarHBondContact OD2-NH1 3.39Å; D77-R342 IonicContact OD2-NH2 2.68Å; D77-R342 PolarHBondContact OD2-NH2 3.38Å
78	E	95.3	Very high	94.8	Very high	46 Å²	46	34.4 Å²	34.4	22%	0.215	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-45.7	175.5	-71	-154.8	81.6	0	0	112.2	F74 T75 N81 N82 Y429 Y486	F74-E78 HydrophobicContact CE1-CG 4.25Å; F74-E78 WeakPolarHBondContact CE1-OE2 3.39Å; F74-E78 HydrophobicContact CZ-CG 4.13Å; F74-E78 VanDerWaalsContact CZ-OE2 3.23Å; F74-E78 WeakPolarHBondContact CZ-OE2 3.34Å; F74-E78 PolarHBondContact O-N 2.67Å; F74-E78 VanDerWaalsContact O-N 3.11Å; T75-E78 PolarHBondContact O-N 3.38Å; E78-N81 PolarHBondContact O-N 2.89Å; E78-N82 WeakPolarHBondContact O-CB 3.43Å; E78-N82 PolarHBondContact O-N 3.47Å; E78-N82 VanDerWaalsContact O-N 3.16Å; E78-Y429 VanDerWaalsContact OE2-CE2 3.29Å; E78-Y429 WeakPolarHBondContact OE2-CE2 3.32Å; E78-Y486 PolarHBondContact OE1-OH 2.91Å; E78-Y486 PolarHBondContact OE2-OH 3.47Å
79	I	95.9	Very high	94.6	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-63.3	-47.7	179.1	-71.5	161.8	0	0	0	110.9	T75 L76 N81 N82 L85 L86 L91 V432 Y433 A436	T75-I79 HydrophobicContact CG2-CD1 3.9Å; T75-I79 WeakPolarHBondContact O-CD1 3.25Å; T75-I79 WeakPolarHBondContact O-CG1 3.21Å; T75-I79 PolarHBondContact O-N 3.21Å; L76-I79 PolarHBondContact O-N 3.29Å; I79-N81 VanDerWaalsContact C-N 3.28Å; I79-N81 PolarHBondContact O-N 3.28Å; I79-N82 WeakPolarHBondContact O-CB 3.25Å; I79-N82 PolarHBondContact O-N 3.44Å; I79-N82 VanDerWaalsContact O-N 3.12Å; I79-L85 HydrophobicContact CB-CD2 4.45Å; I79-L85 HydrophobicContact CG1-CD2 4.03Å; I79-L85 HydrophobicContact CG2-CD2 4Å; I79-L85 HydrophobicContact CG2-CG 4.49Å; I79-L86 HydrophobicContact CG2-CD1 4.28Å; I79-L91 HydrophobicContact CD1-CD2 4.38Å; I79-L91 HydrophobicContact CG2-CD2 4.37Å; I79-V432 HydrophobicContact CD1-CG1 3.6Å; I79-Y433 HydrophobicContact CD1-CD2 4.13Å; I79-Y433 HydrophobicContact CD1-CE2 4.1Å; I79-Y433 HydrophobicContact CD1-CG 4.45Å; I79-Y433 HydrophobicContact CG1-CD2 4.32Å; I79-Y433 HydrophobicContact CG1-CE1 4.18Å; I79-Y433 HydrophobicContact CG1-CE2 3.83Å; I79-A436 HydrophobicContact CD1-CB 3.75Å; I79-A436 HydrophobicContact CG1-CB 4.28Å; I79-A436 HydrophobicContact CG2-CB 4.11Å
80	N	96.1	Very high	94.4	Very high	57 Å²	57	37.5 Å²	37.5	31%	0.305	21%	0.209	S	C	.	.	H	α-helix	trans	-69.2	-26.2	-178.4	-73.6	-33.2	0	0	0	112.8	L76 D77 N82 T90 L91	L76-N80 WeakPolarHBondContact O-CB 3.39Å; L76-N80 PolarHBondContact O-N 3.24Å; L76-N80 PolarHBondContact O-ND2 3.12Å; D77-N80 PolarHBondContact O-N 3.48Å; N80-N82 VanDerWaalsContact C-N 3.34Å; N80-T90 WeakPolarHBondContact OD1-CA 3.3Å; N80-L91 PolarHBondContact ND2-O 3.39Å; N80-L91 PolarHBondContact OD1-N 3.5Å
81	N	94.9	Very high	94.3	Very high	139 Å²	139	37.5 Å²	37.5	74%	0.743	21%	0.209	S	C	*	.	H	α-helix	trans	-80.4	-13.6	173.3	-72.6	-29.3	0	0	0	113.2	D77 E78 I79 S83	D77-N81 VanDerWaalsContact O-CB 3.25Å; D77-N81 WeakPolarHBondContact O-CB 3.49Å; D77-N81 PolarHBondContact O-N 2.96Å; D77-N81 PolarHBondContact O-ND2 2.87Å; E78-N81 PolarHBondContact O-N 2.89Å; I79-N81 VanDerWaalsContact C-N 3.28Å; I79-N81 PolarHBondContact O-N 3.28Å; N81-S83 PolarHBondContact O-N 3.19Å
82	N	93.1	Very high	94.2	Very high	49 Å²	49	37.4 Å²	37.4	26%	0.262	21%	0.209	S	C	.	.			trans	-87.7	103.5	-178.7	-173.9	-13.4	0	0	0	112	E78 I79 N80 K84 L85	E78-N82 WeakPolarHBondContact O-CB 3.43Å; E78-N82 PolarHBondContact O-N 3.47Å; E78-N82 VanDerWaalsContact O-N 3.16Å; I79-N82 WeakPolarHBondContact O-CB 3.25Å; I79-N82 PolarHBondContact O-N 3.44Å; I79-N82 VanDerWaalsContact O-N 3.12Å; N80-N82 VanDerWaalsContact C-N 3.34Å; N82-K84 PolarHBondContact O-N 3.47Å; N82-K84 WeakPolarHBondContact OD1-CB 3.48Å; N82-K84 PolarHBondContact OD1-N 3.42Å; N82-L85 HydrophobicContact CB-CB 4.29Å; N82-L85 PolarHBondContact O-N 3.13Å; N82-L85 VanDerWaalsContact O-N 3.17Å
83	S	88.9	Confident	94.1	Very high	92 Å²	92	37.4 Å²	37.4	64%	0.643	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-15.8	-180	60.2	0	0	0	0	115.5	N81	N81-S83 PolarHBondContact O-N 3.19Å
84	K	90.6	Very high	94	Very high	172 Å²	172	37.4 Å²	37.4	75%	0.748	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-27.2	178.6	-61.7	179.1	-178.8	175	0	112.7	N82 H440	N82-K84 PolarHBondContact O-N 3.47Å; N82-K84 WeakPolarHBondContact OD1-CB 3.48Å; N82-K84 PolarHBondContact OD1-N 3.42Å; K84-H440 PolarHBondContact O-CE1 2.85Å
85	L	92	Very high	93.9	Very high	22 Å²	22	36.4 Å²	36.4	12%	0.115	20%	0.204	C	C	.	.	S	Bend	trans	-100.7	130.1	-176.6	-171.7	63.1	0	0	0	108.8	I79 N82 Y433 A436 H440	I79-L85 HydrophobicContact CB-CD2 4.45Å; I79-L85 HydrophobicContact CG1-CD2 4.03Å; I79-L85 HydrophobicContact CG2-CD2 4Å; I79-L85 HydrophobicContact CG2-CG 4.49Å; N82-L85 HydrophobicContact CB-CB 4.29Å; N82-L85 PolarHBondContact O-N 3.13Å; N82-L85 VanDerWaalsContact O-N 3.17Å; L85-Y433 HydrophobicContact CD2-CD1 4.28Å; L85-Y433 HydrophobicContact CD2-CE1 3.92Å; L85-A436 HydrophobicContact CD2-CB 4Å; L85-H440 HydrophobicContact CD1-CB 3.68Å
86	L	92.2	Very high	93.8	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.026	21%	0.207	C	C	.	.	S	Bend	trans	48.8	48.6	-176.2	-61.8	171.9	0	0	0	115.6	I79 G88 L89 L91 A436 L439 H440	I79-L86 HydrophobicContact CG2-CD1 4.28Å; L86-G88 PolarHBondContact O-N 3.19Å; L86-L89 HydrophobicContact CB-CB 4.5Å; L86-L89 PolarHBondContact O-N 3.48Å; L86-L91 HydrophobicContact CD1-CB 4.48Å; L86-A436 HydrophobicContact CD1-CB 4.27Å; L86-L439 HydrophobicContact CD1-CB 4.43Å; L86-L439 HydrophobicContact CD2-CB 3.63Å; L86-H440 HydrophobicContact CD2-CB 4.01Å; L86-H440 HydrophobicContact CG-CB 4.38Å; L86-H440 PolarHBondContact N-ND1 3.46Å; L86-H440 VanDerWaalsContact N-ND1 3.19Å
87	P	91.1	Very high	93.8	Very high	24 Å²	24	37.6 Å²	37.6	16%	0.156	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	128.5	-174.9	21.8	-33.7	0	0	0	112.9	L89 Q443 P451	P87-L89 PolarHBondContact O-N 3.48Å; P87-Q443 PolarHBondContact O-NE2 3.37Å; P87-P451 HydrophobicContact CB-CB 4.21Å; P87-P451 HydrophobicContact CB-CG 3.91Å; P87-P451 HydrophobicContact CG-CG 3.89Å; P87-P451 VanDerWaalsContact O-CB 3.25Å; P87-P451 WeakPolarHBondContact O-CB 3.14Å; P87-P451 WeakPolarHBondContact O-CG 3.43Å
88	G	89.1	Confident	93.7	Very high	36 Å²	36	35 Å²	35	37%	0.371	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	-1.9	179.7	0	0	0	0	0	115.4	L86 K458	L86-G88 PolarHBondContact O-N 3.19Å; G88-K458 WeakPolarHBondContact O-CE 3.43Å; G88-K458 PolarHBondContact O-NZ 3.12Å
89	L	92.2	Very high	93.5	Very high	10 Å²	10	33 Å²	33	5%	0.052	19%	0.186	C	C	.	.			trans	-120.9	150.4	176.7	-60.4	-178.2	0	0	0	110.1	D40 I41 L86 P87 Q443 W456 K458 L462 M465	D40-L89 HydrophobicContact CB-CD2 4.47Å; D40-L89 WeakPolarHBondContact OD2-CA 3.49Å; I41-L89 HydrophobicContact CD1-CD1 4.37Å; L86-L89 HydrophobicContact CB-CB 4.5Å; L86-L89 PolarHBondContact O-N 3.48Å; P87-L89 PolarHBondContact O-N 3.48Å; L89-Q443 HydrophobicContact CD1-CG 4.23Å; L89-W456 HydrophobicContact CD2-CH2 3.86Å; L89-W456 HydrophobicContact CG-CH2 4.14Å; L89-K458 HydrophobicContact CD2-CD 4.4Å; L89-K458 HydrophobicContact CD2-CG 3.92Å; L89-L462 HydrophobicContact CD1-CD2 4.39Å; L89-L462 HydrophobicContact CD2-CD1 4.43Å; L89-L462 HydrophobicContact CD2-CD2 3.81Å; L89-L462 HydrophobicContact CD2-CG 4Å; L89-M465 HydrophobicContact CD1-CE 4.23Å; L89-M465 HydrophobicContact CD1-SD 3.58Å; L89-M465 VanDerWaalsContact CD1-SD 3.58Å
90	T	93.9	Very high	93.2	Very high	58 Å²	58	33.9 Å²	33.9	36%	0.356	19%	0.192	S	C	.	.			trans	-117.3	142.1	176	54.1	0	0	0	0	110.2	D40 I41 N80	D40-T90 WeakPolarHBondContact CB-O 3.35Å; D40-T90 PolarHBondContact N-O 2.96Å; D40-T90 PolarHBondContact N-OG1 3.27Å; D40-T90 VanDerWaalsContact N-OG1 3.11Å; D40-T90 PolarHBondContact OD2-N 2.9Å; D40-T90 PolarHBondContact OD2-OG1 2.91Å; I41-T90 PolarHBondContact N-O 2.89Å; N80-T90 WeakPolarHBondContact OD1-CA 3.3Å
91	L	95.3	Very high	92.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.4	174.9	-164.8	62.7	0	0	0	108.8	I41 L43 L76 I79 N80 L86 A436 L439	I41-L91 HydrophobicContact CB-CD1 4.29Å; I41-L91 HydrophobicContact CG2-CD1 4.29Å; L43-L91 HydrophobicContact CD1-CD1 4.14Å; L43-L91 HydrophobicContact CD1-CD2 3.77Å; L43-L91 HydrophobicContact CD1-CG 4.14Å; L43-L91 HydrophobicContact CD2-CD1 4.41Å; L43-L91 HydrophobicContact CG-CD1 3.85Å; L43-L91 HydrophobicContact CG-CD2 4.39Å; L43-L91 HydrophobicContact CG-CG 4.23Å; L76-L91 HydrophobicContact CD2-CB 3.97Å; L76-L91 HydrophobicContact CD2-CD2 3.72Å; L76-L91 HydrophobicContact CD2-CG 3.65Å; I79-L91 HydrophobicContact CD1-CD2 4.38Å; I79-L91 HydrophobicContact CG2-CD2 4.37Å; N80-L91 PolarHBondContact ND2-O 3.39Å; N80-L91 PolarHBondContact OD1-N 3.5Å; L86-L91 HydrophobicContact CD1-CB 4.48Å; L91-A436 HydrophobicContact CD2-CB 4.27Å; L91-L439 HydrophobicContact CD1-CD1 3.66Å
92	G	95.5	Very high	92.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	172.5	174.5	0	0	0	0	0	111.4	I37 I41 L43	I37-G92 CarbonylContact O-C 3.57Å; I37-G92 WeakPolarHBondContact O-CA 3.4Å; I41-G92 PolarHBondContact O-N 3.43Å; L43-G92 PolarHBondContact N-O 3.32Å
93	T	95.6	Very high	92.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	150.4	175.2	-169.1	0	0	0	0	113.7	S36 I37 L43 M72 L73 L76 I95	S36-T93 WeakPolarHBondContact CA-O 3.42Å; I37-T93 HydrophobicContact CB-CG2 4.21Å; I37-T93 HydrophobicContact CG1-CG2 4.22Å; I37-T93 PolarHBondContact N-O 3.32Å; I37-T93 PolarHBondContact O-N 2.92Å; L43-T93 CarbonylContact O-C 3.58Å; L43-T93 WeakPolarHBondContact O-CA 3.41Å; L43-T93 WeakPolarHBondContact O-CB 3.21Å; L43-T93 PolarHBondContact O-OG1 3.41Å; M72-T93 HydrophobicContact CE-CG2 4.5Å; M72-T93 WeakPolarHBondContact CE-OG1 3.35Å; L73-T93 HydrophobicContact CD2-CG2 4.2Å; L76-T93 HydrophobicContact CD1-CG2 3.21Å; T93-I95 HydrophobicContact CG2-CD1 4.03Å; T93-I95 HydrophobicContact CG2-CG1 3.87Å
94	T	94.9	Very high	92.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	106.5	165.4	-56.4	0	0	0	0	108	V34 A35 M42 L43 G44 G45 F112 N132	V34-T94 HydrophobicContact CG2-CG2 3.33Å; A35-T94 CarbonylContact O-C 3.54Å; A35-T94 WeakPolarHBondContact O-CA 3.44Å; M42-T94 WeakPolarHBondContact CE-OG1 3.36Å; L43-T94 PolarHBondContact O-N 3.31Å; G44-T94 CarbonylContact C-O 3.58Å; G45-T94 PolarHBondContact N-O 2.66Å; T94-F112 HydrophobicContact CG2-CE1 4.06Å; T94-F112 WeakPolarHBondContact O-CE1 3.07Å; T94-F112 WeakPolarHBondContact O-CZ 3.31Å; T94-N132 WeakPolarHBondContact CG2-OD1 3.35Å; T94-N132 PolarHBondContact OG1-OD1 3.19Å
95	I	96.1	Very high	92.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	131.6	-179.9	-59.7	177.1	0	0	0	109.5	V34 A35 G45 F47 V69 M72 L73 T93 W345	V34-I95 WeakPolarHBondContact CG2-O 3.43Å; A35-I95 HydrophobicContact CB-CB 3.95Å; A35-I95 PolarHBondContact N-O 3.02Å; A35-I95 VanDerWaalsContact N-O 3.09Å; A35-I95 PolarHBondContact O-N 3Å; G45-I95 CarbonylContact O-C 3.56Å; G45-I95 WeakPolarHBondContact O-CA 3.39Å; F47-I95 HydrophobicContact CD2-CG2 3.55Å; F47-I95 HydrophobicContact CE2-CD1 4.5Å; F47-I95 HydrophobicContact CE2-CG1 4.39Å; F47-I95 HydrophobicContact CE2-CG2 4.02Å; F47-I95 HydrophobicContact CG-CG2 4.44Å; V69-I95 HydrophobicContact CG1-CD1 3.99Å; V69-I95 HydrophobicContact CG1-CG2 4.32Å; V69-I95 HydrophobicContact CG2-CG2 4.01Å; M72-I95 HydrophobicContact CB-CD1 4.26Å; M72-I95 HydrophobicContact CG-CD1 4.22Å; M72-I95 HydrophobicContact SD-CD1 3.81Å; M72-I95 HydrophobicContact SD-CG1 3.79Å; L73-I95 HydrophobicContact CD2-CD1 3.95Å; L73-I95 HydrophobicContact CG-CD1 3.98Å; T93-I95 HydrophobicContact CG2-CD1 4.03Å; T93-I95 HydrophobicContact CG2-CG1 3.87Å; I95-W345 HydrophobicContact CB-CZ3 4.46Å; I95-W345 HydrophobicContact CG2-CH2 4.1Å; I95-W345 HydrophobicContact CG2-CZ3 3.86Å; I95-W345 WeakPolarHBondContact O-CH2 3.47Å
96	R	95.2	Very high	92.8	Very high	15 Å²	15	21.8 Å²	21.8	6%	0.057	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	145.4	179.6	-65	-178	173.7	-75.8	-14.2	110.9	V34 G45 L46 F47 Q108 F112	V34-R96 HydrophobicContact CG2-CG 4.07Å; G45-R96 PolarHBondContact O-N 2.76Å; L46-R96 HydrophobicContact CD2-CB 4.26Å; F47-R96 PolarHBondContact N-O 2.86Å; F47-R96 VanDerWaalsContact N-O 3.15Å; R96-Q108 HydrophobicContact CB-CB 4.01Å; R96-Q108 HydrophobicContact CB-CG 4.37Å; R96-Q108 WeakPolarHBondContact CD-O 3.48Å; R96-F112 HydrophobicContact CB-CZ 4.16Å; R96-F112 HydrophobicContact CG-CE1 4.22Å; R96-F112 HydrophobicContact CG-CZ 3.86Å
97	D	95.2	Very high	92.7	Very high	10 Å²	10	26.1 Å²	26.1	5%	0.053	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	128.5	177.7	179.7	22.5	0	0	0	111.8	F47 V49 H50 C99 H104 Q108 W345	F47-D97 CarbonylContact O-C 3.48Å; F47-D97 WeakPolarHBondContact O-CA 3.48Å; V49-D97 WeakPolarHBondContact CA-OD1 3.41Å; V49-D97 HydrophobicContact CB-CB 4Å; V49-D97 WeakPolarHBondContact CB-OD1 3.41Å; V49-D97 HydrophobicContact CG2-CB 3.97Å; V49-D97 PolarHBondContact N-OD1 3.4Å; H50-D97 IonicContact CE1-OD2 3.03Å; H50-D97 IonicContact CG-OD2 2.72Å; H50-D97 PolarHBondContact N-OD1 2.86Å; H50-D97 IonicContact ND1-OD2 3.56Å; H50-D97 PolarHBondContact ND1-OD2 3.24Å; D97-C99 PolarHBondContact OD1-N 2.94Å; D97-C99 PolarHBondContact OD2-SG 3.25Å; D97-H104 PolarHBondContact O-CE1 2.89Å; D97-H104 PolarHBondContact O-ND1 2.8Å; D97-Q108 WeakPolarHBondContact O-CG 3.07Å; D97-W345 HydrophobicContact CB-CZ2 3.79Å
98	T	94.3	Very high	92.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.145	C	C	.	.			trans	-83.2	-15	176.3	57.4	0	0	0	0	112.9	L46 F47 P48 S100 D101 A105 V146	L46-T98 HydrophobicContact CB-CG2 3.79Å; L46-T98 HydrophobicContact CD2-CG2 3.91Å; L46-T98 HydrophobicContact CG-CG2 4.36Å; F47-T98 VanDerWaalsContact C-OG1 3.31Å; F47-T98 PolarHBondContact O-N 3.37Å; F47-T98 PolarHBondContact O-OG1 3.31Å; P48-T98 VanDerWaalsContact CA-OG1 3.22Å; P48-T98 WeakPolarHBondContact CA-OG1 3.43Å; T98-S100 PolarHBondContact O-N 2.97Å; T98-D101 PolarHBondContact O-N 3.49Å; T98-A105 HydrophobicContact CG2-CB 3.91Å; T98-V146 HydrophobicContact CG2-CG1 4.27Å
99	C	91.6	Very high	93	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.014	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	22.1	-171	-57.1	0	0	0	0	113.7	H50 T51 S52 C57 D97 D101 H104	H50-C99 CarbonylContact O-C 3.47Å; H50-C99 WeakPolarHBondContact O-CA 3.42Å; T51-C99 CarbonylContact C-O 3.56Å; T51-C99 VanDerWaalsContact C-O 3.3Å; S52-C99 WeakPolarHBondContact CA-O 3.49Å; S52-C99 PolarHBondContact N-O 3.32Å; S52-C99 VanDerWaalsContact N-O 3.14Å; C57-C99 HydrophobicContact CB-CB 3.69Å; C57-C99 WeakPolarHBondContact CB-SG 3.44Å; C57-C99 WeakPolarHBondContact SG-CB 3.49Å; C57-C99 CovalentContact SG-SG 2.01Å; C57-C99 PolarHBondContact SG-SG 3.23Å; D97-C99 PolarHBondContact OD1-N 2.94Å; D97-C99 PolarHBondContact OD2-SG 3.25Å; C99-D101 PolarHBondContact O-N 3.09Å; C99-H104 PolarHBondContact SG-CE1 3.13Å; C99-H104 PolarHBondContact SG-ND1 2.98Å; C99-H104 VanDerWaalsContact SG-ND1 3.39Å
100	S	89.2	Confident	92.9	Very high	20 Å²	20	26.1 Å²	26.1	14%	0.14	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	20.7	-172.9	-46.8	0	0	0	0	113.8	P48 H50 T98 Y143	P48-S100 WeakPolarHBondContact CB-OG 3.32Å; H50-S100 PolarHBondContact O-N 3.38Å; H50-S100 PolarHBondContact O-OG 3.15Å; T98-S100 PolarHBondContact O-N 2.97Å; S100-Y143 VanDerWaalsContact CB-CE2 3.49Å; S100-Y143 WeakPolarHBondContact OG-CE2 3.42Å
101	D	90.4	Very high	92.7	Very high	46 Å²	46	27 Å²	27	25%	0.246	14%	0.138	C	C	.	.			trans	-118.2	138.9	-176.1	175.1	62.6	0	0	0	110.7	T98 C99 N103 H104 A105	T98-D101 PolarHBondContact O-N 3.49Å; C99-D101 PolarHBondContact O-N 3.09Å; D101-N103 WeakPolarHBondContact OD2-CB 3.39Å; D101-N103 PolarHBondContact OD2-N 3.29Å; D101-N103 VanDerWaalsContact OD2-N 3.12Å; D101-H104 HydrophobicContact CB-CB 4.13Å; D101-H104 WeakPolarHBondContact OD2-CB 3.49Å; D101-H104 PolarHBondContact OD2-N 2.97Å; D101-A105 WeakPolarHBondContact O-CB 3.31Å; D101-A105 PolarHBondContact O-N 3.25Å
102	T	89.4	Confident	92.5	Very high	43 Å²	43	27.1 Å²	27.1	26%	0.264	14%	0.138	S	C	.	.	H	α-helix	trans	-70.2	-43.7	-174.3	52.6	0	0	0	0	112.2	L106 V146 L149	T102-L106 WeakPolarHBondContact O-CB 3.36Å; T102-L106 PolarHBondContact O-N 3.39Å; T102-V146 HydrophobicContact CG2-CG2 4.2Å; T102-L149 WeakPolarHBondContact O-CD2 3.49Å
103	N	90.6	Very high	92	Very high	106 Å²	106	27.2 Å²	27.2	57%	0.567	14%	0.139	S	C	*	.	H	α-helix	trans	-68	-48	-178.4	-67.3	-40.3	0	0	0	110.8	D101 A105 L106 E107	D101-N103 WeakPolarHBondContact OD2-CB 3.39Å; D101-N103 PolarHBondContact OD2-N 3.29Å; D101-N103 VanDerWaalsContact OD2-N 3.12Å; N103-A105 PolarHBondContact O-N 3.15Å; N103-L106 PolarHBondContact O-N 3.09Å; N103-E107 PolarHBondContact O-N 3.18Å
104	H	90.8	Very high	90.9	Very high	36 Å²	36	32.4 Å²	32.4	17%	0.167	16%	0.163	C	C	.	.	H	α-helix	trans	-61.8	-44.9	177.4	-174.2	-97.7	0	0	0	111.5	D97 C99 D101 L106 E107 Q108	D97-H104 PolarHBondContact O-CE1 2.89Å; D97-H104 PolarHBondContact O-ND1 2.8Å; C99-H104 PolarHBondContact SG-CE1 3.13Å; C99-H104 PolarHBondContact SG-ND1 2.98Å; C99-H104 VanDerWaalsContact SG-ND1 3.39Å; D101-H104 HydrophobicContact CB-CB 4.13Å; D101-H104 WeakPolarHBondContact OD2-CB 3.49Å; D101-H104 PolarHBondContact OD2-N 2.97Å; H104-L106 VanDerWaalsContact C-N 3.29Å; H104-L106 PolarHBondContact O-N 3.3Å; H104-E107 WeakPolarHBondContact O-CB 3.4Å; H104-E107 PolarHBondContact O-N 3.48Å; H104-Q108 PolarHBondContact NE2-NE2 3.08Å; H104-Q108 WeakPolarHBondContact O-CG 3.36Å; H104-Q108 PolarHBondContact O-N 2.87Å
105	A	93.4	Very high	89.2	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.6	-36.8	177.2	0	0	0	0	0	112.9	T98 D101 N103 Q108 A109 V146 V150	T98-A105 HydrophobicContact CG2-CB 3.91Å; D101-A105 WeakPolarHBondContact O-CB 3.31Å; D101-A105 PolarHBondContact O-N 3.25Å; N103-A105 PolarHBondContact O-N 3.15Å; A105-Q108 PolarHBondContact O-N 3.22Å; A105-A109 VanDerWaalsContact O-CB 3.3Å; A105-A109 WeakPolarHBondContact O-CB 3.3Å; A105-A109 PolarHBondContact O-N 2.91Å; A105-V146 HydrophobicContact CB-CB 4.46Å; A105-V146 HydrophobicContact CB-CG1 3.3Å; A105-V146 HydrophobicContact CB-CG2 4.45Å; A105-V150 HydrophobicContact CB-CG2 4.24Å
106	L	92.6	Very high	87.3	Confident	47 Å²	47	36 Å²	36	25%	0.246	19%	0.19	C	C	.	.	H	α-helix	trans	-65.7	-42.3	174.9	-176.3	64.4	0	0	0	111.6	T102 N103 H104 Q108 A109 L110 L149 L153	T102-L106 WeakPolarHBondContact O-CB 3.36Å; T102-L106 PolarHBondContact O-N 3.39Å; N103-L106 PolarHBondContact O-N 3.09Å; H104-L106 VanDerWaalsContact C-N 3.29Å; H104-L106 PolarHBondContact O-N 3.3Å; L106-Q108 VanDerWaalsContact C-N 3.3Å; L106-Q108 PolarHBondContact O-N 3.5Å; L106-A109 PolarHBondContact O-N 2.96Å; L106-L110 WeakPolarHBondContact O-CG 3.44Å; L106-L110 PolarHBondContact O-N 3.39Å; L106-L149 HydrophobicContact CB-CD2 3.96Å; L106-L149 HydrophobicContact CB-CG 4.34Å; L106-L149 HydrophobicContact CD1-CG 4.25Å; L106-L149 HydrophobicContact CD2-CD1 4.3Å; L106-L149 HydrophobicContact CD2-CD2 4.03Å; L106-L149 HydrophobicContact CD2-CG 4.14Å; L106-L149 HydrophobicContact CG-CD2 4.45Å; L106-L149 HydrophobicContact CG-CG 4.48Å; L106-L153 HydrophobicContact CD1-CB 3.88Å; L106-L153 HydrophobicContact CD1-CD2 3.71Å; L106-L153 HydrophobicContact CD1-CG 4.29Å
107	E	91.3	Very high	85.3	Confident	96 Å²	96	39.8 Å²	39.8	45%	0.449	22%	0.215	S	C	.	.	H	α-helix	trans	-58.2	-41.7	173.4	-71.6	-174.4	179.5	0	0	111.9	N103 H104	N103-E107 PolarHBondContact O-N 3.18Å; H104-E107 WeakPolarHBondContact O-CB 3.4Å; H104-E107 PolarHBondContact O-N 3.48Å
108	Q	92.3	Very high	82.9	Confident	12 Å²	12	41.1 Å²	41.1	6%	0.056	23%	0.231	C	C	.	.	H	α-helix	trans	-71.6	-38	177.1	-63.2	-54.4	-30.6	0	0	112.5	L46 R96 D97 H104 A105 L106 L110 K111	L46-Q108 HydrophobicContact CD2-CB 4.32Å; R96-Q108 HydrophobicContact CB-CB 4.01Å; R96-Q108 HydrophobicContact CB-CG 4.37Å; R96-Q108 WeakPolarHBondContact CD-O 3.48Å; D97-Q108 WeakPolarHBondContact O-CG 3.07Å; H104-Q108 PolarHBondContact NE2-NE2 3.08Å; H104-Q108 WeakPolarHBondContact O-CG 3.36Å; H104-Q108 PolarHBondContact O-N 2.87Å; A105-Q108 PolarHBondContact O-N 3.22Å; L106-Q108 VanDerWaalsContact C-N 3.3Å; L106-Q108 PolarHBondContact O-N 3.5Å; Q108-L110 VanDerWaalsContact C-N 3.31Å; Q108-L110 PolarHBondContact O-N 3Å; Q108-K111 VanDerWaalsContact O-CB 3.31Å; Q108-K111 WeakPolarHBondContact O-CB 3.15Å; Q108-K111 PolarHBondContact O-N 3.36Å; Q108-K111 VanDerWaalsContact O-N 3.1Å
109	A	93.3	Very high	80.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63	-37.3	176	0	0	0	0	0	112.3	L46 A105 L106 K111 F112 V150 L153 F154	L46-A109 HydrophobicContact CD1-CB 4.38Å; A105-A109 VanDerWaalsContact O-CB 3.3Å; A105-A109 WeakPolarHBondContact O-CB 3.3Å; A105-A109 PolarHBondContact O-N 2.91Å; L106-A109 PolarHBondContact O-N 2.96Å; A109-K111 PolarHBondContact O-N 2.89Å; A109-F112 PolarHBondContact O-N 2.78Å; A109-V150 HydrophobicContact CB-CB 4.39Å; A109-V150 HydrophobicContact CB-CG1 3.52Å; A109-V150 HydrophobicContact CB-CG2 4.13Å; A109-L153 HydrophobicContact CB-CD2 3.86Å; A109-F154 HydrophobicContact CB-CE1 3.88Å; A109-F154 HydrophobicContact CB-CZ 3.81Å
110	L	91.3	Very high	78	Confident	58 Å²	58	49.9 Å²	49.9	30%	0.304	29%	0.292	S	S	.	.	H	α-helix	trans	-57.9	-27.9	174.1	-76.9	167.7	0	0	0	112.6	L106 Q108 F112 V113 Q114 L153	L106-L110 WeakPolarHBondContact O-CG 3.44Å; L106-L110 PolarHBondContact O-N 3.39Å; Q108-L110 VanDerWaalsContact C-N 3.31Å; Q108-L110 PolarHBondContact O-N 3Å; L110-F112 VanDerWaalsContact C-N 3.34Å; L110-F112 PolarHBondContact O-N 3.5Å; L110-V113 PolarHBondContact O-N 3Å; L110-Q114 WeakPolarHBondContact O-CB 3.23Å; L110-Q114 VanDerWaalsContact O-CG 3.31Å; L110-Q114 WeakPolarHBondContact O-CG 3.08Å; L110-Q114 PolarHBondContact O-N 2.98Å; L110-L153 HydrophobicContact CB-CD2 4.48Å; L110-L153 HydrophobicContact CD2-CD1 3.69Å; L110-L153 HydrophobicContact CD2-CD2 3.71Å; L110-L153 HydrophobicContact CD2-CG 4.35Å; L110-L153 HydrophobicContact CG-CD2 3.78Å
111	K	89.4	Confident	75.7	Confident	77 Å²	77	54.1 Å²	54.1	34%	0.335	32%	0.322	S	S	.	.	H	α-helix	trans	-68.3	-30.1	179.3	-59.5	-59.6	-179.7	-174.9	0	113.6	Q108 A109 V113 N132	Q108-K111 VanDerWaalsContact O-CB 3.31Å; Q108-K111 WeakPolarHBondContact O-CB 3.15Å; Q108-K111 PolarHBondContact O-N 3.36Å; Q108-K111 VanDerWaalsContact O-N 3.1Å; A109-K111 PolarHBondContact O-N 2.89Å; K111-V113 VanDerWaalsContact C-N 3.27Å; K111-N132 PolarHBondContact O-ND2 2.79Å
112	F	90.6	Very high	73.1	Confident	1 Å²	1	57.4 Å²	57.4	0%	0.004	34%	0.336	C	S	.	.	H	α-helix	trans	-68.9	-31.4	173.5	-59.1	-51.6	0	0	0	111.9	L46 T94 R96 A109 L110 T135 V138 F154 L159	L46-F112 HydrophobicContact CD1-CE2 4.33Å; L46-F112 HydrophobicContact CD2-CE2 3.69Å; L46-F112 HydrophobicContact CD2-CZ 4.28Å; L46-F112 HydrophobicContact CG-CE2 3.79Å; L46-F112 HydrophobicContact CG-CZ 4.49Å; T94-F112 HydrophobicContact CG2-CE1 4.06Å; T94-F112 WeakPolarHBondContact O-CE1 3.07Å; T94-F112 WeakPolarHBondContact O-CZ 3.31Å; R96-F112 HydrophobicContact CB-CZ 4.16Å; R96-F112 HydrophobicContact CG-CE1 4.22Å; R96-F112 HydrophobicContact CG-CZ 3.86Å; A109-F112 PolarHBondContact O-N 2.78Å; L110-F112 VanDerWaalsContact C-N 3.34Å; L110-F112 PolarHBondContact O-N 3.5Å; F112-T135 HydrophobicContact CB-CG2 4.21Å; F112-T135 HydrophobicContact CD1-CG2 4.4Å; F112-V138 HydrophobicContact CD2-CG2 4.15Å; F112-V138 HydrophobicContact CE2-CG1 4.33Å; F112-V138 HydrophobicContact CG-CG2 4.43Å; F112-F154 HydrophobicContact CD2-CE1 4.22Å; F112-F154 AromaticContact CD2-CZ 3.98Å; F112-F154 HydrophobicContact CD2-CZ 3.98Å; F112-L159 HydrophobicContact CB-CD2 4.35Å
113	V	85.5	Confident	70.8	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.018	35%	0.351	C	S	.	.	H	α-helix	trans	-86.9	-47.5	-176	174.3	0	0	0	0	112.6	L110 K111 A115 S116 T117 F154 F157	L110-V113 PolarHBondContact O-N 3Å; K111-V113 VanDerWaalsContact C-N 3.27Å; V113-A115 PolarHBondContact O-N 3.38Å; V113-S116 WeakPolarHBondContact O-CA 3.4Å; V113-S116 WeakPolarHBondContact O-CB 3.35Å; V113-S116 PolarHBondContact O-N 3.36Å; V113-S116 PolarHBondContact O-OG 3.49Å; V113-T117 PolarHBondContact O-N 3.05Å; V113-T117 PolarHBondContact O-OG1 2.96Å; V113-F154 HydrophobicContact CG2-CD1 4.13Å; V113-F154 HydrophobicContact CG2-CE1 4.33Å; V113-F157 HydrophobicContact CB-CD2 4.22Å; V113-F157 HydrophobicContact CB-CE2 4.48Å; V113-F157 HydrophobicContact CB-CG 4.23Å; V113-F157 HydrophobicContact CG1-CB 4Å; V113-F157 HydrophobicContact CG1-CD1 3.13Å; V113-F157 HydrophobicContact CG1-CD2 3.38Å; V113-F157 HydrophobicContact CG1-CE1 3.25Å; V113-F157 HydrophobicContact CG1-CE2 3.53Å; V113-F157 HydrophobicContact CG1-CG 3.18Å; V113-F157 HydrophobicContact CG1-CZ 3.45Å; V113-F157 VanDerWaalsContact CG1-CZ 3.45Å; V113-F157 HydrophobicContact CG2-CB 4.21Å; V113-F157 HydrophobicContact CG2-CD2 3.83Å; V113-F157 HydrophobicContact CG2-CE2 4.43Å; V113-F157 HydrophobicContact CG2-CG 4Å
114	Q	72.4	Confident	68.4	Low	108 Å²	108	62.9 Å²	62.9	51%	0.505	36%	0.362	S	S	.	.	H	α-helix	trans	-54.4	-32.5	-175.9	-78.5	176.5	-17.5	0	0	112.4	L110 G118	L110-Q114 WeakPolarHBondContact O-CB 3.23Å; L110-Q114 VanDerWaalsContact O-CG 3.31Å; L110-Q114 WeakPolarHBondContact O-CG 3.08Å; L110-Q114 PolarHBondContact O-N 2.98Å; Q114-G118 PolarHBondContact O-N 3.32Å; Q114-G118 VanDerWaalsContact O-N 3.12Å
115	A	58.5	Low	65.7	Low	21 Å²	21	68.1 Å²	68.1	17%	0.174	39%	0.385	C	S	.	.	H	α-helix	trans	-73.6	-34.3	175.8	0	0	0	0	0	113.6	V113 T117 N132 L133	V113-A115 PolarHBondContact O-N 3.38Å; A115-T117 VanDerWaalsContact C-N 3.29Å; A115-T117 PolarHBondContact O-N 3.35Å; A115-N132 HydrophobicContact CB-CB 3Å; A115-N132 WeakPolarHBondContact CB-O 3.29Å; A115-L133 WeakPolarHBondContact O-CD2 3.25Å; A115-L133 WeakPolarHBondContact O-CG 3.15Å
116	S	56.4	Low	63	Low	56 Å²	56	75.5 Å²	75.5	39%	0.392	42%	0.421	S	S	.	.	H	α-helix	trans	-66.4	-30.1	176.3	72.2	0	0	0	0	113.2	V113	V113-S116 WeakPolarHBondContact O-CA 3.4Å; V113-S116 WeakPolarHBondContact O-CB 3.35Å; V113-S116 PolarHBondContact O-N 3.36Å; V113-S116 PolarHBondContact O-OG 3.49Å
117	T	53	Low	60.3	Low	94 Å²	94	79.8 Å²	79.8	58%	0.577	44%	0.444	S	S	*	.	H	α-helix	trans	-92	-28.7	-177.3	-30.8	0	0	0	0	112.6	V113 A115 S119	V113-T117 PolarHBondContact O-N 3.05Å; V113-T117 PolarHBondContact O-OG1 2.96Å; A115-T117 VanDerWaalsContact C-N 3.29Å; A115-T117 PolarHBondContact O-N 3.35Å; T117-S119 PolarHBondContact O-N 2.84Å
118	G	45.9	Very low	58.1	Low	38 Å²	38	84 Å²	84	39%	0.392	46%	0.464	S	S	.	.	S	Bend	trans	-78.4	103.9	176.7	0	0	0	0	0	111.6	Q114	Q114-G118 PolarHBondContact O-N 3.32Å; Q114-G118 VanDerWaalsContact O-N 3.12Å
119	S	38.9	Very low	55.5	Low	57 Å²	57	92 Å²	92	40%	0.399	50%	0.501	S	S	.	.			trans	93.6	60.1	165	68.5	0	0	0	0	119.6	T117 S121 Q122	T117-S119 PolarHBondContact O-N 2.84Å; S119-S121 PolarHBondContact O-N 2.68Å; S119-S121 VanDerWaalsContact O-N 3.12Å; S119-Q122 PolarHBondContact O-N 2.91Å
120	S	42.4	Very low	53.3	Low	128 Å²	128	95.1 Å²	95.1	90%	0.895	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-6.5	148.4	-58.4	0	0	0	0	114.1
121	S	40.8	Very low	51.3	Low	110 Å²	110	97 Å²	97	77%	0.769	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-0.3	-179.4	56.5	0	0	0	0	115.4	S119	S119-S121 PolarHBondContact O-N 2.68Å; S119-S121 VanDerWaalsContact O-N 3.12Å
122	Q	35.9	Very low	49.6	Very low	115 Å²	115	94.6 Å²	94.6	54%	0.537	52%	0.521	S	S	.	.			trans	-131.7	45.9	179.5	-64.8	-136.9	18.1	0	0	114.9	S119 N124	S119-Q122 PolarHBondContact O-N 2.91Å; Q122-N124 PolarHBondContact O-N 3.36Å
123	L	42.1	Very low	48.2	Very low	112 Å²	112	97.2 Å²	97.2	59%	0.586	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	3.6	166.3	-153	77	0	0	0	113.8	R459 E463	L123-R459 PolarHBondContact O-NH2 3.48Å; L123-E463 HydrophobicContact CD2-CG 4.45Å
124	N	39.6	Very low	47.8	Very low	151 Å²	151	99.4 Å²	99.4	81%	0.807	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	9.5	-178.2	-84.8	-5.1	0	0	0	115.3	Q122	Q122-N124 PolarHBondContact O-N 3.36Å
125	K	34.6	Very low	48.7	Very low	147 Å²	147	94.8 Å²	94.8	64%	0.639	53%	0.525	S	S	*	.			trans	-137.7	86.7	170.4	-70.2	-176.9	179.9	175.9	0	111.3	N127	K125-N127 PolarHBondContact O-N 2.93Å
126	M	37.3	Very low	50.3	Low	155 Å²	155	95.2 Å²	95.2	76%	0.764	52%	0.523	S	S	*	.			trans	-72.2	40.2	161.9	-77.4	-179	65	0	0	111.6
127	N	36	Very low	52.1	Low	136 Å²	136	92.6 Å²	92.6	73%	0.727	50%	0.504	S	S	*	.	S	Bend	trans	-101.1	98	175.9	-75.5	7.6	0	0	0	109.3	K125 H129	K125-N127 PolarHBondContact O-N 2.93Å; N127-H129 PolarHBondContact O-N 3.31Å
128	E	44.5	Very low	54.2	Low	184 Å²	184	88.1 Å²	88.1	86%	0.86	48%	0.476	S	S	*	.	S	Bend	trans	58.8	-6.8	148.6	-73.4	-174.3	162.6	0	0	123.9
129	H	38.3	Very low	56.7	Low	181 Å²	181	86.3 Å²	86.3	84%	0.838	46%	0.458	S	S	*	.			trans	-130	25.7	178.3	-83.9	53.7	0	0	0	115.7	N127 E131	N127-H129 PolarHBondContact O-N 3.31Å; H129-E131 PolarHBondContact O-N 3.12Å
130	S	45.9	Very low	59.5	Low	65 Å²	65	83.6 Å²	83.6	46%	0.455	44%	0.439	S	S	.	.			trans	-96.7	48.9	-177.4	-156.7	0	0	0	0	112.8	N132 L133	S130-N132 VanDerWaalsContact C-N 3.3Å; S130-N132 PolarHBondContact O-N 2.95Å; S130-L133 WeakPolarHBondContact OG-CB 3.46Å; S130-L133 WeakPolarHBondContact OG-CD1 3.38Å
131	E	50.5	Low	62	Low	98 Å²	98	77.5 Å²	77.5	46%	0.458	40%	0.396	S	S	.	.	S	Bend	trans	-65.6	-23.9	-168.4	-64.8	-170.7	133.4	0	0	115.2	S36 H129	S36-E131 PolarHBondContact OG-OE1 3.48Å; H129-E131 PolarHBondContact O-N 3.12Å
132	N	53.5	Low	64.5	Low	26 Å²	26	72.6 Å²	72.6	14%	0.139	36%	0.362	C	S	.	.	S	Bend	trans	-118.2	-6.7	-170.2	-69.8	-21.6	0	0	0	114.2	T94 K111 A115 S130 N134 T135	T94-N132 WeakPolarHBondContact CG2-OD1 3.35Å; T94-N132 PolarHBondContact OG1-OD1 3.19Å; K111-N132 PolarHBondContact O-ND2 2.79Å; A115-N132 HydrophobicContact CB-CB 3Å; A115-N132 WeakPolarHBondContact CB-O 3.29Å; S130-N132 VanDerWaalsContact C-N 3.3Å; S130-N132 PolarHBondContact O-N 2.95Å; N132-N134 PolarHBondContact O-N 3.27Å; N132-T135 PolarHBondContact O-N 3.42Å; N132-T135 PolarHBondContact O-OG1 3.24Å; N132-T135 VanDerWaalsContact O-OG1 3.05Å
133	L	59.7	Low	67.1	Low	57 Å²	57	70.4 Å²	70.4	30%	0.298	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.1	-173.8	-101.1	159.2	0	0	0	113.5	A115 S130	A115-L133 WeakPolarHBondContact O-CD2 3.25Å; A115-L133 WeakPolarHBondContact O-CG 3.15Å; S130-L133 WeakPolarHBondContact OG-CB 3.46Å; S130-L133 WeakPolarHBondContact OG-CD1 3.38Å
134	N	78.3	Confident	69.5	Low	49 Å²	49	65.4 Å²	65.4	26%	0.262	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	21.2	-174.4	-64.5	-6.3	0	0	0	113.7	D40 M42 N132 R136 L466	D40-N134 PolarHBondContact O-ND2 2.86Å; M42-N134 HydrophobicContact CB-CB 4.37Å; M42-N134 HydrophobicContact CG-CB 4.03Å; M42-N134 PolarHBondContact N-O 3.28Å; N132-N134 PolarHBondContact O-N 3.27Å; N134-R136 PolarHBondContact O-N 3.3Å; N134-L466 HydrophobicContact CB-CD1 4.5Å; N134-L466 HydrophobicContact CB-CD2 4.15Å
135	T	90.1	Very high	71.9	Confident	11 Å²	11	60.4 Å²	60.4	7%	0.067	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	111.5	-178.5	-51.4	0	0	0	0	110.8	M42 F112 N132 V138 L159	M42-T135 CarbonylContact O-C 3.57Å; M42-T135 VanDerWaalsContact O-CA 3.28Å; M42-T135 WeakPolarHBondContact O-CA 3.49Å; F112-T135 HydrophobicContact CB-CG2 4.21Å; F112-T135 HydrophobicContact CD1-CG2 4.4Å; N132-T135 PolarHBondContact O-N 3.42Å; N132-T135 PolarHBondContact O-OG1 3.24Å; N132-T135 VanDerWaalsContact O-OG1 3.05Å; T135-V138 HydrophobicContact CG2-CG2 4.42Å; T135-L159 HydrophobicContact CG2-CD1 4.46Å; T135-L159 HydrophobicContact CG2-CD2 4.37Å; T135-L159 WeakPolarHBondContact O-CD1 3.48Å
136	R	92.1	Very high	74.7	Confident	30 Å²	30	53.4 Å²	53.4	11%	0.113	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-10.4	-176.2	-71.3	-62.8	-66.2	179.3	2.7	115.2	I41 M42 N134 M465 L466 Y468 F473	I41-R136 HydrophobicContact CG2-CB 3.94Å; I41-R136 HydrophobicContact CG2-CG 3.73Å; M42-R136 PolarHBondContact O-N 3.29Å; N134-R136 PolarHBondContact O-N 3.3Å; R136-M465 VanDerWaalsContact CZ-O 3.31Å; R136-M465 PolarHBondContact NH2-O 3.22Å; R136-L466 HydrophobicContact CG-CD2 3.66Å; R136-L466 PolarHBondContact NH1-O 3.37Å; R136-Y468 VanDerWaalsContact CZ-O 3.31Å; R136-Y468 PolarHBondContact NH1-O 3.15Å; R136-Y468 PolarHBondContact NH2-O 2.63Å; R136-F473 HydrophobicContact CB-CE1 4.44Å; R136-F473 WeakPolarHBondContact O-CE1 3.31Å
137	G	95.1	Very high	77.5	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	164	175.2	0	0	0	0	0	110.7	L43 G44 P160	L43-G137 WeakPolarHBondContact CA-O 3.45Å; G44-G137 PolarHBondContact N-O 3.44Å; G137-P160 CarbonylContact C-O 3.58Å; G137-P160 VanDerWaalsContact CA-O 3.25Å; G137-P160 WeakPolarHBondContact CA-O 3.37Å
138	V	97.4	Very high	80.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	124.9	179.6	-177.5	0	0	0	0	110.4	G44 L46 F112 T135 F154 L159 P160 Q161 I162	G44-V138 CarbonylContact O-C 3.58Å; G44-V138 VanDerWaalsContact O-CA 3.32Å; G44-V138 WeakPolarHBondContact O-CA 3.26Å; L46-V138 HydrophobicContact CD1-CG1 4.02Å; L46-V138 HydrophobicContact CG-CG1 4.09Å; F112-V138 HydrophobicContact CD2-CG2 4.15Å; F112-V138 HydrophobicContact CE2-CG1 4.33Å; F112-V138 HydrophobicContact CG-CG2 4.43Å; T135-V138 HydrophobicContact CG2-CG2 4.42Å; V138-F154 HydrophobicContact CB-CD2 4.42Å; V138-F154 HydrophobicContact CB-CE2 3.67Å; V138-F154 HydrophobicContact CB-CZ 3.99Å; V138-F154 HydrophobicContact CG1-CE2 3.69Å; V138-F154 HydrophobicContact CG1-CZ 3.86Å; V138-F154 HydrophobicContact CG2-CD2 4.45Å; V138-F154 HydrophobicContact CG2-CE1 4.13Å; V138-F154 HydrophobicContact CG2-CE2 3.75Å; V138-F154 HydrophobicContact CG2-CZ 3.6Å; V138-L159 HydrophobicContact CG2-CD2 3.6Å; V138-L159 HydrophobicContact CG2-CG 4.12Å; V138-P160 PolarHBondContact N-O 3.01Å; V138-Q161 CarbonylContact O-C 3.6Å; V138-Q161 WeakPolarHBondContact O-CA 3.33Å; V138-I162 PolarHBondContact O-N 2.98Å
139	V	98.3	Very high	82.7	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	120.2	170.3	176.6	0	0	0	0	108.3	G44 G45 L46 F47 M72 I162 Y164 A431 V432 F435	G44-V139 PolarHBondContact O-N 3.28Å; G45-V139 WeakPolarHBondContact CA-O 3.07Å; L46-V139 PolarHBondContact N-O 2.93Å; F47-V139 HydrophobicContact CZ-CG1 4.35Å; M72-V139 HydrophobicContact CE-CB 4.11Å; M72-V139 HydrophobicContact CE-CG2 4.12Å; M72-V139 HydrophobicContact SD-CB 4.45Å; V139-I162 WeakPolarHBondContact CA-O 3.21Å; V139-Y164 HydrophobicContact CG1-CD1 3.74Å; V139-Y164 HydrophobicContact CG1-CE1 4.23Å; V139-A431 HydrophobicContact CG1-CB 4.02Å; V139-V432 HydrophobicContact CG1-CG2 4.39Å; V139-V432 HydrophobicContact CG2-CG2 4.08Å; V139-F435 HydrophobicContact CG2-CD2 3.6Å; V139-F435 HydrophobicContact CG2-CE2 3.65Å
140	G	96.6	Very high	85.5	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.			trans	126.9	-176.4	-176.6	0	0	0	0	0	113.4	Q161 I162 S163	G140-Q161 WeakPolarHBondContact O-CG 3.38Å; G140-Q161 PolarHBondContact O-NE2 2.85Å; G140-I162 PolarHBondContact N-O 3.03Å; G140-S163 WeakPolarHBondContact O-CA 3.3Å
141	S	95.3	Very high	87.9	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.12	C	C	.	.			cis	-92.2	-176.3	-2.4	-175	0	0	0	0	111.1	V146 T147 S163 S166	S141-V146 VanDerWaalsContact OG-CG1 3.31Å; S141-V146 WeakPolarHBondContact OG-CG1 3.3Å; S141-T147 WeakPolarHBondContact CB-OG1 3.31Å; S141-T147 PolarHBondContact N-OG1 3.42Å; S141-T147 PolarHBondContact O-OG1 2.73Å; S141-S163 PolarHBondContact O-OG 3.08Å; S141-S166 PolarHBondContact O-OG 3.02Å
142	S	92.8	Very high	89.9	Confident	8 Å²	8	21.4 Å²	21.4	6%	0.056	11%	0.113	C	C	.	.	S	Bend	trans	-81.9	-56.8	177.6	177.5	0	0	0	0	112.8	R68 A165 S166	R68-S142 PolarHBondContact NH1-OG 3.17Å; S142-A165 CarbonylContact O-C 3.57Å; S142-S166 PolarHBondContact O-N 2.73Å; S142-S166 PolarHBondContact O-OG 3.17Å
143	Y	90.6	Very high	91.9	Very high	68 Å²	68	21.1 Å²	21.1	27%	0.267	11%	0.111	S	C	.	.	S	Bend	trans	-82.3	137.2	-175	-68.2	-79.7	0	0	0	111.8	P48 R64 S100 S145 V146 T147 S166	P48-Y143 HydrophobicContact CB-CD2 4.17Å; P48-Y143 HydrophobicContact CB-CE2 3.73Å; P48-Y143 HydrophobicContact CG-CE2 4.28Å; R64-Y143 PolarHBondContact NH1-OH 3.33Å; S100-Y143 VanDerWaalsContact CB-CE2 3.49Å; S100-Y143 WeakPolarHBondContact OG-CE2 3.42Å; Y143-S145 PolarHBondContact O-N 3.21Å; Y143-V146 WeakPolarHBondContact O-CB 3.47Å; Y143-V146 PolarHBondContact O-N 3.09Å; Y143-T147 WeakPolarHBondContact O-CB 3.2Å; Y143-T147 PolarHBondContact O-N 2.78Å; Y143-T147 PolarHBondContact O-OG1 3.05Å; Y143-S166 PolarHBondContact O-OG 2.87Å
144	S	92.9	Very high	93.6	Very high	8 Å²	8	18.5 Å²	18.5	6%	0.056	10%	0.097	C	C	.	.	H	α-helix	trans	-57.8	-44.3	-178.4	-70.4	0	0	0	0	113.9	V146 T147 I148 T168	S144-V146 VanDerWaalsContact C-N 3.34Å; S144-V146 PolarHBondContact O-N 2.84Å; S144-T147 PolarHBondContact O-N 3.34Å; S144-I148 WeakPolarHBondContact O-CG1 3.26Å; S144-I148 PolarHBondContact O-N 3.41Å; S144-T168 WeakPolarHBondContact OG-CB 3.43Å; S144-T168 WeakPolarHBondContact OG-CG2 3.32Å; S144-T168 PolarHBondContact OG-N 2.79Å
145	S	90.3	Very high	94.3	Very high	46 Å²	46	21.3 Å²	21.3	32%	0.322	11%	0.105	S	C	.	.	H	α-helix	trans	-61.9	-41.2	178	52.8	0	0	0	0	112.4	Y143 L149 D214	Y143-S145 PolarHBondContact O-N 3.21Å; S145-L149 PolarHBondContact O-N 2.77Å; S145-D214 WeakPolarHBondContact CA-OD2 3.24Å; S145-D214 WeakPolarHBondContact CB-OD2 3.35Å
146	V	93.2	Very high	94.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.1	-48.8	174	173.9	0	0	0	0	110.3	T98 T102 A105 S141 Y143 S144 I148 L149 V150	T98-V146 HydrophobicContact CG2-CG1 4.27Å; T102-V146 HydrophobicContact CG2-CG2 4.2Å; A105-V146 HydrophobicContact CB-CB 4.46Å; A105-V146 HydrophobicContact CB-CG1 3.3Å; A105-V146 HydrophobicContact CB-CG2 4.45Å; S141-V146 VanDerWaalsContact OG-CG1 3.31Å; S141-V146 WeakPolarHBondContact OG-CG1 3.3Å; Y143-V146 WeakPolarHBondContact O-CB 3.47Å; Y143-V146 PolarHBondContact O-N 3.09Å; S144-V146 VanDerWaalsContact C-N 3.34Å; S144-V146 PolarHBondContact O-N 2.84Å; V146-I148 PolarHBondContact O-N 3.34Å; V146-L149 PolarHBondContact O-N 3.49Å; V146-V150 HydrophobicContact CG1-CG2 4.12Å; V146-V150 WeakPolarHBondContact O-CB 3.28Å; V146-V150 WeakPolarHBondContact O-CG2 3.49Å; V146-V150 PolarHBondContact O-N 3.26Å
147	T	96.7	Very high	94.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.2	-41.3	-177.7	-67.2	0	0	0	0	112.4	S141 Y143 S144 L149 V150 A151 S166 L171 F180	S141-T147 WeakPolarHBondContact CB-OG1 3.31Å; S141-T147 PolarHBondContact N-OG1 3.42Å; S141-T147 PolarHBondContact O-OG1 2.73Å; Y143-T147 WeakPolarHBondContact O-CB 3.2Å; Y143-T147 PolarHBondContact O-N 2.78Å; Y143-T147 PolarHBondContact O-OG1 3.05Å; S144-T147 PolarHBondContact O-N 3.34Å; T147-L149 PolarHBondContact O-N 2.89Å; T147-V150 PolarHBondContact O-N 2.96Å; T147-A151 WeakPolarHBondContact O-CB 3.34Å; T147-A151 PolarHBondContact O-N 2.83Å; T147-S166 WeakPolarHBondContact CB-OG 3.17Å; T147-S166 PolarHBondContact OG1-OG 2.77Å; T147-L171 HydrophobicContact CG2-CD1 3.57Å; T147-L171 HydrophobicContact CG2-CD2 4.01Å; T147-L171 HydrophobicContact CG2-CG 4.48Å; T147-F180 HydrophobicContact CG2-CD2 3.99Å; T147-F180 HydrophobicContact CG2-CE2 3.25Å; T147-F180 HydrophobicContact CG2-CZ 3.89Å
148	I	95.6	Very high	94.2	Very high	24 Å²	24	31.8 Å²	31.8	12%	0.123	16%	0.162	C	C	.	.	H	α-helix	trans	-57.2	-48.8	176.7	-74.8	164.4	0	0	0	111.2	S144 V146 N152 T168 I170 L171 F177 D214	S144-I148 WeakPolarHBondContact O-CG1 3.26Å; S144-I148 PolarHBondContact O-N 3.41Å; V146-I148 PolarHBondContact O-N 3.34Å; I148-N152 PolarHBondContact O-N 3.33Å; I148-N152 PolarHBondContact O-ND2 3.33Å; I148-N152 VanDerWaalsContact O-ND2 3.11Å; I148-T168 HydrophobicContact CD1-CG2 4.07Å; I148-T168 HydrophobicContact CG1-CG2 4.44Å; I148-I170 HydrophobicContact CD1-CB 4.39Å; I148-I170 HydrophobicContact CD1-CD1 4.44Å; I148-I170 HydrophobicContact CD1-CG2 4.18Å; I148-L171 HydrophobicContact CB-CD2 4.48Å; I148-L171 HydrophobicContact CG1-CD1 4.48Å; I148-L171 HydrophobicContact CG1-CD2 3.7Å; I148-L171 HydrophobicContact CG1-CG 3.95Å; I148-F177 HydrophobicContact CG1-CZ 4.34Å; I148-F177 HydrophobicContact CG2-CE1 4.26Å; I148-F177 HydrophobicContact CG2-CZ 4.02Å; I148-D214 HydrophobicContact CD1-CB 3.49Å; I148-D214 VanDerWaalsContact CD1-CB 3.49Å; I148-D214 VanDerWaalsContact CD1-CG 3.44Å
149	L	94.3	Very high	94.1	Very high	57 Å²	57	32.6 Å²	32.6	30%	0.298	17%	0.166	S	C	.	.	H	α-helix	trans	-66.2	-43.3	-177.7	-174.7	61.5	0	0	0	111.4	T102 L106 S145 V146 T147 N152 L153	T102-L149 WeakPolarHBondContact O-CD2 3.49Å; L106-L149 HydrophobicContact CB-CD2 3.96Å; L106-L149 HydrophobicContact CB-CG 4.34Å; L106-L149 HydrophobicContact CD1-CG 4.25Å; L106-L149 HydrophobicContact CD2-CD1 4.3Å; L106-L149 HydrophobicContact CD2-CD2 4.03Å; L106-L149 HydrophobicContact CD2-CG 4.14Å; L106-L149 HydrophobicContact CG-CD2 4.45Å; L106-L149 HydrophobicContact CG-CG 4.48Å; S145-L149 PolarHBondContact O-N 2.77Å; V146-L149 PolarHBondContact O-N 3.49Å; T147-L149 PolarHBondContact O-N 2.89Å; L149-N152 PolarHBondContact O-N 3.19Å; L149-L153 PolarHBondContact O-N 3.16Å
150	V	95.8	Very high	94	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-71.5	-37.3	-178	178.3	0	0	0	0	112	L46 A105 A109 V146 T147 N152 L153 F154	L46-V150 HydrophobicContact CD1-CG1 3.64Å; L46-V150 HydrophobicContact CD1-CG2 4.41Å; A105-V150 HydrophobicContact CB-CG2 4.24Å; A109-V150 HydrophobicContact CB-CB 4.39Å; A109-V150 HydrophobicContact CB-CG1 3.52Å; A109-V150 HydrophobicContact CB-CG2 4.13Å; V146-V150 HydrophobicContact CG1-CG2 4.12Å; V146-V150 WeakPolarHBondContact O-CB 3.28Å; V146-V150 WeakPolarHBondContact O-CG2 3.49Å; V146-V150 PolarHBondContact O-N 3.26Å; T147-V150 PolarHBondContact O-N 2.96Å; V150-N152 VanDerWaalsContact C-N 3.33Å; V150-N152 PolarHBondContact O-N 3.32Å; V150-L153 WeakPolarHBondContact O-CB 3.48Å; V150-L153 PolarHBondContact O-N 3.41Å; V150-L153 VanDerWaalsContact O-N 3.16Å; V150-F154 HydrophobicContact CG1-CD2 3.69Å; V150-F154 HydrophobicContact CG1-CE1 4.16Å; V150-F154 HydrophobicContact CG1-CE2 3.15Å; V150-F154 HydrophobicContact CG1-CG 4.39Å; V150-F154 HydrophobicContact CG1-CZ 3.4Å; V150-F154 VanDerWaalsContact CG1-CZ 3.4Å; V150-F154 WeakPolarHBondContact O-CG 3.38Å; V150-F154 PolarHBondContact O-N 3.01Å
151	A	96.4	Very high	94	Very high	7 Å²	7	32.7 Å²	32.7	6%	0.058	17%	0.167	C	C	.	.	H	α-helix	trans	-63.5	-38.9	176.1	0	0	0	0	0	111.9	T147 L153 F154 R155 Q161 F177 F180	T147-A151 WeakPolarHBondContact O-CB 3.34Å; T147-A151 PolarHBondContact O-N 2.83Å; A151-L153 VanDerWaalsContact C-N 3.28Å; A151-L153 PolarHBondContact O-N 2.94Å; A151-F154 PolarHBondContact O-N 2.83Å; A151-R155 PolarHBondContact O-N 3.26Å; A151-Q161 VanDerWaalsContact CB-OE1 3.29Å; A151-F177 HydrophobicContact CB-CD1 3.71Å; A151-F177 HydrophobicContact CB-CE1 4.19Å; A151-F180 HydrophobicContact CB-CD2 4.35Å
152	N	94.1	Very high	94.2	Very high	58 Å²	58	32.8 Å²	32.8	31%	0.31	17%	0.167	S	C	.	.	H	α-helix	trans	-61.5	-36.2	174.2	-82.2	-42.9	0	0	0	112.4	I148 L149 V150	I148-N152 PolarHBondContact O-N 3.33Å; I148-N152 PolarHBondContact O-ND2 3.33Å; I148-N152 VanDerWaalsContact O-ND2 3.11Å; L149-N152 PolarHBondContact O-N 3.19Å; V150-N152 VanDerWaalsContact C-N 3.33Å; V150-N152 PolarHBondContact O-N 3.32Å
153	L	94.3	Very high	94.4	Very high	20 Å²	20	32.4 Å²	32.4	11%	0.105	16%	0.164	C	C	.	.	H	α-helix	trans	-67.4	-53.5	172.5	175.4	68.2	0	0	0	111	L106 A109 L110 L149 V150 A151 R155 L156 F157	L106-L153 HydrophobicContact CD1-CB 3.88Å; L106-L153 HydrophobicContact CD1-CD2 3.71Å; L106-L153 HydrophobicContact CD1-CG 4.29Å; A109-L153 HydrophobicContact CB-CD2 3.86Å; L110-L153 HydrophobicContact CB-CD2 4.48Å; L110-L153 HydrophobicContact CD2-CD1 3.69Å; L110-L153 HydrophobicContact CD2-CD2 3.71Å; L110-L153 HydrophobicContact CD2-CG 4.35Å; L110-L153 HydrophobicContact CG-CD2 3.78Å; L149-L153 PolarHBondContact O-N 3.16Å; V150-L153 WeakPolarHBondContact O-CB 3.48Å; V150-L153 PolarHBondContact O-N 3.41Å; V150-L153 VanDerWaalsContact O-N 3.16Å; A151-L153 VanDerWaalsContact C-N 3.28Å; A151-L153 PolarHBondContact O-N 2.94Å; L153-R155 PolarHBondContact O-N 2.84Å; L153-L156 WeakPolarHBondContact O-CB 3.47Å; L153-L156 PolarHBondContact O-N 2.91Å; L153-F157 HydrophobicContact CD1-CD2 4.29Å; L153-F157 HydrophobicContact CD1-CE2 3.74Å; L153-F157 WeakPolarHBondContact O-CD2 3.4Å
154	F	95	Very high	94.7	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.009	15%	0.152	C	C	.	.	H	α-helix	trans	-61.6	-31	-174	-69.5	-28.9	0	0	0	113.8	L46 A109 F112 V113 V138 V150 A151 L156 F157 S158 L159 Q161	L46-F154 HydrophobicContact CD1-CE2 4.23Å; L46-F154 HydrophobicContact CD1-CZ 4.09Å; A109-F154 HydrophobicContact CB-CE1 3.88Å; A109-F154 HydrophobicContact CB-CZ 3.81Å; F112-F154 HydrophobicContact CD2-CE1 4.22Å; F112-F154 AromaticContact CD2-CZ 3.98Å; F112-F154 HydrophobicContact CD2-CZ 3.98Å; V113-F154 HydrophobicContact CG2-CD1 4.13Å; V113-F154 HydrophobicContact CG2-CE1 4.33Å; V138-F154 HydrophobicContact CB-CD2 4.42Å; V138-F154 HydrophobicContact CB-CE2 3.67Å; V138-F154 HydrophobicContact CB-CZ 3.99Å; V138-F154 HydrophobicContact CG1-CE2 3.69Å; V138-F154 HydrophobicContact CG1-CZ 3.86Å; V138-F154 HydrophobicContact CG2-CD2 4.45Å; V138-F154 HydrophobicContact CG2-CE1 4.13Å; V138-F154 HydrophobicContact CG2-CE2 3.75Å; V138-F154 HydrophobicContact CG2-CZ 3.6Å; V150-F154 HydrophobicContact CG1-CD2 3.69Å; V150-F154 HydrophobicContact CG1-CE1 4.16Å; V150-F154 HydrophobicContact CG1-CE2 3.15Å; V150-F154 HydrophobicContact CG1-CG 4.39Å; V150-F154 HydrophobicContact CG1-CZ 3.4Å; V150-F154 VanDerWaalsContact CG1-CZ 3.4Å; V150-F154 WeakPolarHBondContact O-CG 3.38Å; V150-F154 PolarHBondContact O-N 3.01Å; A151-F154 PolarHBondContact O-N 2.83Å; F154-L156 PolarHBondContact O-N 3.32Å; F154-F157 CarbonylContact O-C 3.57Å; F154-F157 PolarHBondContact O-N 3.29Å; F154-F157 VanDerWaalsContact O-N 3.1Å; F154-S158 PolarHBondContact O-N 3.32Å; F154-L159 HydrophobicContact CB-CB 4.18Å; F154-L159 WeakPolarHBondContact CB-O 3.28Å; F154-L159 HydrophobicContact CD1-CB 4.43Å; F154-L159 HydrophobicContact CD1-CD2 3.84Å; F154-L159 HydrophobicContact CE1-CD2 4.01Å; F154-L159 HydrophobicContact CG-CB 4.45Å; F154-L159 HydrophobicContact CG-CD2 4.41Å; F154-L159 PolarHBondContact O-N 3.02Å; F154-Q161 HydrophobicContact CD2-CB 4Å; F154-Q161 HydrophobicContact CD2-CG 4.21Å; F154-Q161 HydrophobicContact CE2-CG 4.35Å
155	R	93.5	Very high	94.8	Very high	109 Å²	109	29 Å²	29	41%	0.411	15%	0.151	S	C	.	.	H	α-helix	trans	-58.3	-35.4	174.7	102.8	-177.3	-170.9	-177.2	1.1	112.5	A151 L153 F157 S158 A176 P178	A151-R155 PolarHBondContact O-N 3.26Å; L153-R155 PolarHBondContact O-N 2.84Å; R155-F157 PolarHBondContact O-N 2.9Å; R155-S158 PolarHBondContact O-N 3.36Å; R155-A176 PolarHBondContact NH1-O 2.92Å; R155-P178 HydrophobicContact CB-CG 4.47Å
156	L	92.1	Very high	95.1	Very high	119 Å²	119	26.9 Å²	26.9	62%	0.623	14%	0.136	S	C	*	.	H	α-helix	trans	-66.4	-24.7	-178.8	-59.1	176.7	0	0	0	112.3	L153 F154	L153-L156 WeakPolarHBondContact O-CB 3.47Å; L153-L156 PolarHBondContact O-N 2.91Å; F154-L156 PolarHBondContact O-N 3.32Å
157	F	91.5	Very high	95.1	Very high	89 Å²	89	27 Å²	27	39%	0.39	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	11.6	-178.1	-60.9	-83.3	0	0	0	112.6	V113 L153 F154 R155 L159	V113-F157 HydrophobicContact CB-CD2 4.22Å; V113-F157 HydrophobicContact CB-CE2 4.48Å; V113-F157 HydrophobicContact CB-CG 4.23Å; V113-F157 HydrophobicContact CG1-CB 4Å; V113-F157 HydrophobicContact CG1-CD1 3.13Å; V113-F157 HydrophobicContact CG1-CD2 3.38Å; V113-F157 HydrophobicContact CG1-CE1 3.25Å; V113-F157 HydrophobicContact CG1-CE2 3.53Å; V113-F157 HydrophobicContact CG1-CG 3.18Å; V113-F157 HydrophobicContact CG1-CZ 3.45Å; V113-F157 VanDerWaalsContact CG1-CZ 3.45Å; V113-F157 HydrophobicContact CG2-CB 4.21Å; V113-F157 HydrophobicContact CG2-CD2 3.83Å; V113-F157 HydrophobicContact CG2-CE2 4.43Å; V113-F157 HydrophobicContact CG2-CG 4Å; L153-F157 HydrophobicContact CD1-CD2 4.29Å; L153-F157 HydrophobicContact CD1-CE2 3.74Å; L153-F157 WeakPolarHBondContact O-CD2 3.4Å; F154-F157 CarbonylContact O-C 3.57Å; F154-F157 PolarHBondContact O-N 3.29Å; F154-F157 VanDerWaalsContact O-N 3.1Å; R155-F157 PolarHBondContact O-N 2.9Å; F157-L159 PolarHBondContact O-N 3.37Å
158	S	92.6	Very high	95	Very high	53 Å²	53	27 Å²	27	37%	0.371	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	35	-176.4	-61.1	0	0	0	0	113.5	F154 R155 P160 L179 G470	F154-S158 PolarHBondContact O-N 3.32Å; R155-S158 PolarHBondContact O-N 3.36Å; S158-P160 WeakPolarHBondContact O-CD 3.16Å; S158-L179 VanDerWaalsContact CA-CD1 3.43Å; S158-G470 VanDerWaalsContact O-CA 3.27Å; S158-G470 WeakPolarHBondContact O-CA 3.48Å
159	L	93.8	Very high	94.9	Very high	16 Å²	16	26.9 Å²	26.9	8%	0.084	14%	0.139	C	C	.	.			trans	-96.3	115.4	-177.8	-171.3	60.9	0	0	0	110	F112 T135 V138 F154 F157	F112-L159 HydrophobicContact CB-CD2 4.35Å; T135-L159 HydrophobicContact CG2-CD1 4.46Å; T135-L159 HydrophobicContact CG2-CD2 4.37Å; T135-L159 WeakPolarHBondContact O-CD1 3.48Å; V138-L159 HydrophobicContact CG2-CD2 3.6Å; V138-L159 HydrophobicContact CG2-CG 4.12Å; F154-L159 HydrophobicContact CB-CB 4.18Å; F154-L159 WeakPolarHBondContact CB-O 3.28Å; F154-L159 HydrophobicContact CD1-CB 4.43Å; F154-L159 HydrophobicContact CD1-CD2 3.84Å; F154-L159 HydrophobicContact CE1-CD2 4.01Å; F154-L159 HydrophobicContact CG-CB 4.45Å; F154-L159 HydrophobicContact CG-CD2 4.41Å; F154-L159 PolarHBondContact O-N 3.02Å; F157-L159 PolarHBondContact O-N 3.37Å
160	P	96.9	Very high	94.9	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	14%	0.143	C	C	.	.			trans	-67.8	141	178.6	-22.9	36.9	0	0	0	112.2	G137 V138 S158 F435 G470 F473 Y474 I477	G137-P160 CarbonylContact C-O 3.58Å; G137-P160 VanDerWaalsContact CA-O 3.25Å; G137-P160 WeakPolarHBondContact CA-O 3.37Å; V138-P160 PolarHBondContact N-O 3.01Å; S158-P160 WeakPolarHBondContact O-CD 3.16Å; P160-F435 HydrophobicContact CB-CE1 4.22Å; P160-G470 WeakPolarHBondContact CG-O 3.49Å; P160-F473 HydrophobicContact CG-CD1 4Å; P160-Y474 HydrophobicContact CB-CD2 4.19Å; P160-I477 HydrophobicContact CB-CD1 4.49Å
161	Q	97.5	Very high	95	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.009	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	131.8	178.7	-179.5	-178.6	5	0	0	110	V138 G140 A151 F154 L179 F180 A181	V138-Q161 CarbonylContact O-C 3.6Å; V138-Q161 WeakPolarHBondContact O-CA 3.33Å; G140-Q161 WeakPolarHBondContact O-CG 3.38Å; G140-Q161 PolarHBondContact O-NE2 2.85Å; A151-Q161 VanDerWaalsContact CB-OE1 3.29Å; F154-Q161 HydrophobicContact CD2-CB 4Å; F154-Q161 HydrophobicContact CD2-CG 4.21Å; F154-Q161 HydrophobicContact CE2-CG 4.35Å; Q161-L179 PolarHBondContact N-O 2.74Å; Q161-F180 HydrophobicContact CG-CD2 4.29Å; Q161-A181 PolarHBondContact O-N 2.95Å
162	I	98.3	Very high	94.9	Very high	2 Å²	2	28 Å²	28	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	109	171.1	-54.5	175.4	0	0	0	108.5	V138 V139 G140 A181 T183 A431 A434 F435 I477 F492	V138-I162 PolarHBondContact O-N 2.98Å; V139-I162 WeakPolarHBondContact CA-O 3.21Å; G140-I162 PolarHBondContact N-O 3.03Å; I162-A181 CarbonylContact C-O 3.56Å; I162-A181 VanDerWaalsContact CA-O 3.25Å; I162-A181 WeakPolarHBondContact CA-O 3.4Å; I162-A181 HydrophobicContact CG1-CB 4.35Å; I162-T183 HydrophobicContact CG2-CG2 4.03Å; I162-A431 HydrophobicContact CB-CB 4.26Å; I162-A431 HydrophobicContact CG2-CB 3.67Å; I162-A434 HydrophobicContact CD1-CB 3.77Å; I162-F435 HydrophobicContact CB-CE2 3.79Å; I162-F435 HydrophobicContact CB-CZ 4.16Å; I162-F435 HydrophobicContact CD1-CD1 4.21Å; I162-F435 HydrophobicContact CD1-CD2 3.74Å; I162-F435 HydrophobicContact CD1-CE1 4.05Å; I162-F435 HydrophobicContact CD1-CE2 3.58Å; I162-F435 HydrophobicContact CD1-CG 4.06Å; I162-F435 HydrophobicContact CD1-CZ 3.74Å; I162-F435 HydrophobicContact CG1-CD2 4.29Å; I162-F435 HydrophobicContact CG1-CE1 4.23Å; I162-F435 HydrophobicContact CG1-CE2 3.6Å; I162-F435 HydrophobicContact CG1-CZ 3.57Å; I162-I477 HydrophobicContact CD1-CG2 3.79Å; I162-F492 HydrophobicContact CD1-CZ 4.5Å; I162-F492 HydrophobicContact CG2-CE1 4.37Å; I162-F492 HydrophobicContact CG2-CZ 4.36Å
163	S	98.2	Very high	95	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	138.1	174.3	174.7	0	0	0	0	111.4	G140 S141 A165 S166 A181 R182 T183	G140-S163 WeakPolarHBondContact O-CA 3.3Å; S141-S163 PolarHBondContact O-OG 3.08Å; S163-A165 PolarHBondContact OG-N 3.49Å; S163-S166 VanDerWaalsContact OG-CB 3.31Å; S163-S166 WeakPolarHBondContact OG-CB 3.43Å; S163-S166 PolarHBondContact OG-N 2.79Å; S163-S166 PolarHBondContact OG-OG 3.18Å; S163-A181 PolarHBondContact N-O 3.31Å; S163-R182 CarbonylContact O-C 3.57Å; S163-R182 WeakPolarHBondContact O-CA 3.49Å; S163-R182 WeakPolarHBondContact O-CB 3.29Å; S163-T183 PolarHBondContact O-N 3.2Å; S163-T183 PolarHBondContact O-OG1 3.43Å
164	Y	96.6	Very high	95	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-95.5	-2.7	176.3	54.4	-102.8	0	0	0	113.4	L46 F47 P48 V139 V184 F427 V428	L46-Y164 PolarHBondContact O-OH 3.47Å; F47-Y164 WeakPolarHBondContact CA-OH 3.05Å; F47-Y164 AromaticContact CD1-CE1 3.88Å; F47-Y164 HydrophobicContact CD1-CE1 3.88Å; F47-Y164 AromaticContact CD1-CZ 3.63Å; F47-Y164 VanDerWaalsContact CD1-OH 3.24Å; F47-Y164 WeakPolarHBondContact CD1-OH 3.35Å; F47-Y164 HydrophobicContact CE1-CD1 4.27Å; F47-Y164 AromaticContact CE1-CE1 3.51Å; F47-Y164 HydrophobicContact CE1-CE1 3.51Å; F47-Y164 AromaticContact CE1-CZ 3.71Å; F47-Y164 AromaticContact CZ-CE1 3.93Å; F47-Y164 HydrophobicContact CZ-CE1 3.93Å; P48-Y164 WeakPolarHBondContact CD-OH 3.3Å; V139-Y164 HydrophobicContact CG1-CD1 3.74Å; V139-Y164 HydrophobicContact CG1-CE1 4.23Å; Y164-V184 WeakPolarHBondContact O-CG1 3.29Å; Y164-F427 VanDerWaalsContact O-CB 3.3Å; Y164-F427 WeakPolarHBondContact O-CB 3.5Å; Y164-V428 HydrophobicContact CD1-CG2 4.07Å; Y164-V428 HydrophobicContact CD2-CG2 3.68Å; Y164-V428 HydrophobicContact CE2-CG2 4.32Å; Y164-V428 HydrophobicContact CG-CB 4.45Å; Y164-V428 HydrophobicContact CG-CG2 3.58Å
165	A	94.9	Very high	95	Very high	5 Å²	5	41.1 Å²	41.1	4%	0.041	20%	0.196	C	C	.	.	S	Bend	trans	-154.2	-8.9	-172.7	0	0	0	0	0	117.1	S142 S163 T167 K424	S142-A165 CarbonylContact O-C 3.57Å; S163-A165 PolarHBondContact OG-N 3.49Å; A165-T167 PolarHBondContact O-N 2.82Å; A165-K424 HydrophobicContact CB-CD 3.61Å
166	S	95.2	Very high	95.1	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.007	19%	0.187	C	C	.	.			trans	-84.1	111.5	-179.6	-64.4	0	0	0	0	112.1	S141 S142 Y143 T147 S163 R182	S141-S166 PolarHBondContact O-OG 3.02Å; S142-S166 PolarHBondContact O-N 2.73Å; S142-S166 PolarHBondContact O-OG 3.17Å; Y143-S166 PolarHBondContact O-OG 2.87Å; T147-S166 WeakPolarHBondContact CB-OG 3.17Å; T147-S166 PolarHBondContact OG1-OG 2.77Å; S163-S166 VanDerWaalsContact OG-CB 3.31Å; S163-S166 WeakPolarHBondContact OG-CB 3.43Å; S163-S166 PolarHBondContact OG-N 2.79Å; S163-S166 PolarHBondContact OG-OG 3.18Å; S166-R182 WeakPolarHBondContact O-CD 3.34Å; S166-R182 PolarHBondContact O-NH1 3.01Å
167	T	94.3	Very high	95.3	Very high	2 Å²	2	32 Å²	32	1%	0.012	16%	0.159	C	C	.	.			trans	-102.8	-11.5	-169.1	58.4	0	0	0	0	114.4	A165 A169 R182 V184 S186 D187 Y215 I321	A165-T167 PolarHBondContact O-N 2.82Å; T167-A169 PolarHBondContact O-N 3.25Å; T167-R182 VanDerWaalsContact CA-NH1 3.31Å; T167-R182 PolarHBondContact O-NH1 3.46Å; T167-V184 HydrophobicContact CG2-CB 4.25Å; T167-V184 HydrophobicContact CG2-CG2 3.89Å; T167-S186 CarbonylContact O-C 3.58Å; T167-D187 VanDerWaalsContact C-OD2 3.28Å; T167-D187 WeakPolarHBondContact CB-OD1 3.41Å; T167-D187 WeakPolarHBondContact O-CB 3.27Å; T167-D187 PolarHBondContact O-N 3.47Å; T167-D187 PolarHBondContact OG1-OD1 3.31Å; T167-D187 PolarHBondContact OG1-OD2 2.95Å; T167-Y215 WeakPolarHBondContact OG1-CE2 3.33Å; T167-I321 HydrophobicContact CG2-CD1 3.97Å
168	T	94.7	Very high	95.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.157	C	C	.	.			trans	-45.4	137.6	177.9	-173.3	0	0	0	0	114.6	S144 I148 I170 L171 R182 D187 D214 S218	S144-T168 WeakPolarHBondContact OG-CB 3.43Å; S144-T168 WeakPolarHBondContact OG-CG2 3.32Å; S144-T168 PolarHBondContact OG-N 2.79Å; I148-T168 HydrophobicContact CD1-CG2 4.07Å; I148-T168 HydrophobicContact CG1-CG2 4.44Å; T168-I170 VanDerWaalsContact C-N 3.26Å; T168-I170 HydrophobicContact CG2-CB 4.47Å; T168-I170 PolarHBondContact O-N 3.07Å; T168-L171 HydrophobicContact CG2-CB 4.23Å; T168-L171 HydrophobicContact CG2-CD1 3.46Å; T168-L171 VanDerWaalsContact CG2-CD1 3.46Å; T168-L171 HydrophobicContact CG2-CG 3.59Å; T168-L171 PolarHBondContact O-N 3.29Å; T168-R182 PolarHBondContact O-NH1 3.2Å; T168-R182 PolarHBondContact O-NH2 3.19Å; T168-D187 WeakPolarHBondContact CA-OD2 3.49Å; T168-D187 PolarHBondContact N-OD2 2.75Å; T168-D187 VanDerWaalsContact N-OD2 3.17Å; T168-D214 PolarHBondContact OG1-O 2.82Å; T168-S218 WeakPolarHBondContact OG1-CB 3.21Å
169	A	93.6	Very high	95.7	Very high	22 Å²	22	28.3 Å²	28.3	18%	0.182	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-71.2	-21.2	-178.9	0	0	0	0	0	113.1	T167 L171 S172 V188 S218	T167-A169 PolarHBondContact O-N 3.25Å; A169-L171 PolarHBondContact O-N 3.31Å; A169-S172 WeakPolarHBondContact O-CB 3.5Å; A169-S172 PolarHBondContact O-N 2.96Å; A169-S172 VanDerWaalsContact O-N 3.14Å; A169-S172 PolarHBondContact O-OG 2.87Å; A169-V188 HydrophobicContact CB-CG2 3.66Å; A169-S218 WeakPolarHBondContact CB-OG 3.31Å; A169-S218 PolarHBondContact N-OG 3.02Å
170	I	94.8	Very high	95.9	Very high	71 Å²	71	27.6 Å²	27.6	36%	0.364	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-56.9	-37	177.7	-66.9	170.7	0	0	0	111.3	I148 T168 S172 D173 F177 D214	I148-I170 HydrophobicContact CD1-CB 4.39Å; I148-I170 HydrophobicContact CD1-CD1 4.44Å; I148-I170 HydrophobicContact CD1-CG2 4.18Å; T168-I170 VanDerWaalsContact C-N 3.26Å; T168-I170 HydrophobicContact CG2-CB 4.47Å; T168-I170 PolarHBondContact O-N 3.07Å; I170-S172 PolarHBondContact O-N 3.43Å; I170-D173 PolarHBondContact O-N 2.84Å; I170-F177 HydrophobicContact CG2-CE2 3.78Å; I170-F177 HydrophobicContact CG2-CZ 4.17Å; I170-F177 WeakPolarHBondContact O-CD2 3.43Å; I170-F177 VanDerWaalsContact O-CE2 3.3Å; I170-F177 WeakPolarHBondContact O-CE2 3.42Å; I170-D214 HydrophobicContact CD1-CB 4.38Å
171	L	96.2	Very high	96	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-70.3	-14.1	-177.3	-71.9	168.9	0	0	0	114	T147 I148 T168 A169 D173 F177 F180	T147-L171 HydrophobicContact CG2-CD1 3.57Å; T147-L171 HydrophobicContact CG2-CD2 4.01Å; T147-L171 HydrophobicContact CG2-CG 4.48Å; I148-L171 HydrophobicContact CB-CD2 4.48Å; I148-L171 HydrophobicContact CG1-CD1 4.48Å; I148-L171 HydrophobicContact CG1-CD2 3.7Å; I148-L171 HydrophobicContact CG1-CG 3.95Å; T168-L171 HydrophobicContact CG2-CB 4.23Å; T168-L171 HydrophobicContact CG2-CD1 3.46Å; T168-L171 VanDerWaalsContact CG2-CD1 3.46Å; T168-L171 HydrophobicContact CG2-CG 3.59Å; T168-L171 PolarHBondContact O-N 3.29Å; A169-L171 PolarHBondContact O-N 3.31Å; L171-D173 VanDerWaalsContact C-N 3.28Å; L171-D173 PolarHBondContact O-N 3.36Å; L171-F177 HydrophobicContact CD2-CD1 4.08Å; L171-F177 HydrophobicContact CD2-CD2 4.3Å; L171-F177 HydrophobicContact CD2-CE1 4.07Å; L171-F177 HydrophobicContact CD2-CE2 4.32Å; L171-F177 HydrophobicContact CD2-CG 4.2Å; L171-F177 HydrophobicContact CD2-CZ 4.19Å; L171-F180 HydrophobicContact CB-CD1 3.82Å; L171-F180 HydrophobicContact CB-CE1 3.52Å; L171-F180 HydrophobicContact CB-CZ 4.09Å; L171-F180 HydrophobicContact CD1-CE1 4.01Å; L171-F180 HydrophobicContact CD1-CE2 4.19Å; L171-F180 HydrophobicContact CD1-CZ 3.66Å; L171-F180 HydrophobicContact CD2-CD1 4.38Å; L171-F180 HydrophobicContact CD2-CD2 4.37Å; L171-F180 HydrophobicContact CD2-CE1 4.39Å; L171-F180 HydrophobicContact CD2-CE2 4.38Å; L171-F180 HydrophobicContact CD2-CG 4.36Å; L171-F180 HydrophobicContact CD2-CZ 4.38Å; L171-F180 HydrophobicContact CG-CE1 4.18Å; L171-F180 HydrophobicContact CG-CZ 4.27Å; L171-F180 WeakPolarHBondContact O-CD1 3.47Å
172	S	95.6	Very high	96	Very high	16 Å²	16	27.5 Å²	27.5	11%	0.112	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-73.3	-18.2	176.3	-57	0	0	0	0	112.7	A169 I170 K174 R182 S186 D497	A169-S172 WeakPolarHBondContact O-CB 3.5Å; A169-S172 PolarHBondContact O-N 2.96Å; A169-S172 VanDerWaalsContact O-N 3.14Å; A169-S172 PolarHBondContact O-OG 2.87Å; I170-S172 PolarHBondContact O-N 3.43Å; S172-K174 PolarHBondContact O-N 3.33Å; S172-K174 VanDerWaalsContact O-N 3.08Å; S172-R182 PolarHBondContact OG-NH2 2.95Å; S172-S186 PolarHBondContact OG-OG 3.01Å; S172-D497 WeakPolarHBondContact CB-OD2 3.39Å; S172-D497 PolarHBondContact OG-OD2 3.22Å
173	D	96	Very high	95.9	Very high	79 Å²	79	27.8 Å²	27.8	42%	0.422	14%	0.14	S	C	.	.			trans	-71.5	103.3	-179.6	-179.3	4.9	0	0	0	111.9	I170 L171 R175 A176 F177	I170-D173 PolarHBondContact O-N 2.84Å; L171-D173 VanDerWaalsContact C-N 3.28Å; L171-D173 PolarHBondContact O-N 3.36Å; D173-R175 PolarHBondContact O-N 3.12Å; D173-R175 VanDerWaalsContact OD1-CB 3.3Å; D173-R175 WeakPolarHBondContact OD1-CB 3.42Å; D173-R175 PolarHBondContact OD1-N 3.19Å; D173-A176 HydrophobicContact CB-CB 4.25Å; D173-A176 PolarHBondContact O-N 2.83Å; D173-A176 VanDerWaalsContact O-N 3.12Å; D173-F177 PolarHBondContact O-N 2.85Å
174	K	94.7	Very high	95.8	Very high	49 Å²	49	27.8 Å²	27.8	21%	0.213	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-16.2	178.5	-65.5	-61.3	170.5	-150.9	0	115.3	S172 P178 F180 Y474 N495	S172-K174 PolarHBondContact O-N 3.33Å; S172-K174 VanDerWaalsContact O-N 3.08Å; K174-P178 WeakPolarHBondContact O-CA 3.28Å; K174-P178 WeakPolarHBondContact O-CB 3.23Å; K174-F180 PolarHBondContact NZ-O 3.25Å; K174-Y474 WeakPolarHBondContact CE-OH 3.5Å; K174-Y474 PolarHBondContact NZ-OH 2.92Å; K174-N495 VanDerWaalsContact CE-CA 3.42Å; K174-N495 WeakPolarHBondContact CE-O 3.39Å; K174-N495 PolarHBondContact NZ-O 3.07Å
175	R	94.9	Very high	95.7	Very high	228 Å²	228	27.8 Å²	27.8	86%	0.86	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-37.7	171.8	-60.6	179.8	178	179.6	0.5	110.6	D173	D173-R175 PolarHBondContact O-N 3.12Å; D173-R175 VanDerWaalsContact OD1-CB 3.3Å; D173-R175 WeakPolarHBondContact OD1-CB 3.42Å; D173-R175 PolarHBondContact OD1-N 3.19Å
176	A	94.2	Very high	95.8	Very high	26 Å²	26	27.9 Å²	27.9	22%	0.215	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-46.1	177.1	0	0	0	0	0	112.2	R155 D173 P178	R155-A176 PolarHBondContact NH1-O 2.92Å; D173-A176 HydrophobicContact CB-CB 4.25Å; D173-A176 PolarHBondContact O-N 2.83Å; D173-A176 VanDerWaalsContact O-N 3.12Å; A176-P178 VanDerWaalsContact C-CD 3.43Å; A176-P178 VanDerWaalsContact O-CD 3.26Å; A176-P178 WeakPolarHBondContact O-CD 3.46Å
177	F	96.8	Very high	95.8	Very high	11 Å²	11	27.8 Å²	27.8	5%	0.048	14%	0.14	C	C	.	.			trans	-122.3	66.7	-172	-50.6	-78.2	0	0	0	112.5	I148 A151 I170 L171 D173 L179 F180	I148-F177 HydrophobicContact CG1-CZ 4.34Å; I148-F177 HydrophobicContact CG2-CE1 4.26Å; I148-F177 HydrophobicContact CG2-CZ 4.02Å; A151-F177 HydrophobicContact CB-CD1 3.71Å; A151-F177 HydrophobicContact CB-CE1 4.19Å; I170-F177 HydrophobicContact CG2-CE2 3.78Å; I170-F177 HydrophobicContact CG2-CZ 4.17Å; I170-F177 WeakPolarHBondContact O-CD2 3.43Å; I170-F177 VanDerWaalsContact O-CE2 3.3Å; I170-F177 WeakPolarHBondContact O-CE2 3.42Å; L171-F177 HydrophobicContact CD2-CD1 4.08Å; L171-F177 HydrophobicContact CD2-CD2 4.3Å; L171-F177 HydrophobicContact CD2-CE1 4.07Å; L171-F177 HydrophobicContact CD2-CE2 4.32Å; L171-F177 HydrophobicContact CD2-CG 4.2Å; L171-F177 HydrophobicContact CD2-CZ 4.19Å; D173-F177 PolarHBondContact O-N 2.85Å; F177-L179 PolarHBondContact O-N 3.06Å; F177-L179 VanDerWaalsContact O-N 3.14Å; F177-F180 HydrophobicContact CB-CB 3.78Å; F177-F180 PolarHBondContact O-N 3.5Å
178	P	96.4	Very high	95.8	Very high	52 Å²	52	30.7 Å²	30.7	34%	0.338	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.5	-173	26.2	-35.9	0	0	0	115.2	R155 K174 A176 Y474	R155-P178 HydrophobicContact CB-CG 4.47Å; K174-P178 WeakPolarHBondContact O-CA 3.28Å; K174-P178 WeakPolarHBondContact O-CB 3.23Å; A176-P178 VanDerWaalsContact C-CD 3.43Å; A176-P178 VanDerWaalsContact O-CD 3.26Å; A176-P178 WeakPolarHBondContact O-CD 3.46Å; P178-Y474 WeakPolarHBondContact O-CD1 3.34Å; P178-Y474 WeakPolarHBondContact O-CE1 2.88Å
179	L	97	Very high	95.8	Very high	11 Å²	11	32.8 Å²	32.8	6%	0.058	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	15.8	-176	-59.7	179.8	0	0	0	113.5	S158 Q161 F177 T471 Y474	S158-L179 VanDerWaalsContact CA-CD1 3.43Å; Q161-L179 PolarHBondContact N-O 2.74Å; F177-L179 PolarHBondContact O-N 3.06Å; F177-L179 VanDerWaalsContact O-N 3.14Å; L179-T471 HydrophobicContact CD1-CG2 4.27Å; L179-T471 HydrophobicContact CD2-CG2 4.01Å; L179-Y474 VanDerWaalsContact C-CE2 3.46Å; L179-Y474 HydrophobicContact CB-CD2 4.48Å; L179-Y474 HydrophobicContact CD2-CD1 3.95Å; L179-Y474 HydrophobicContact CD2-CD2 4.46Å; L179-Y474 HydrophobicContact CD2-CG 3.75Å
180	F	97.9	Very high	95.9	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.009	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.9	176.3	176.8	-96	0	0	0	109.9	T147 A151 Q161 L171 K174 F177 R182 Y474	T147-F180 HydrophobicContact CG2-CD2 3.99Å; T147-F180 HydrophobicContact CG2-CE2 3.25Å; T147-F180 HydrophobicContact CG2-CZ 3.89Å; A151-F180 HydrophobicContact CB-CD2 4.35Å; Q161-F180 HydrophobicContact CG-CD2 4.29Å; L171-F180 HydrophobicContact CB-CD1 3.82Å; L171-F180 HydrophobicContact CB-CE1 3.52Å; L171-F180 HydrophobicContact CB-CZ 4.09Å; L171-F180 HydrophobicContact CD1-CE1 4.01Å; L171-F180 HydrophobicContact CD1-CE2 4.19Å; L171-F180 HydrophobicContact CD1-CZ 3.66Å; L171-F180 HydrophobicContact CD2-CD1 4.38Å; L171-F180 HydrophobicContact CD2-CD2 4.37Å; L171-F180 HydrophobicContact CD2-CE1 4.39Å; L171-F180 HydrophobicContact CD2-CE2 4.38Å; L171-F180 HydrophobicContact CD2-CG 4.36Å; L171-F180 HydrophobicContact CD2-CZ 4.38Å; L171-F180 HydrophobicContact CG-CE1 4.18Å; L171-F180 HydrophobicContact CG-CZ 4.27Å; L171-F180 WeakPolarHBondContact O-CD1 3.47Å; K174-F180 PolarHBondContact NZ-O 3.25Å; F177-F180 HydrophobicContact CB-CB 3.78Å; F177-F180 PolarHBondContact O-N 3.5Å; F180-R182 HydrophobicContact CE1-CB 4.09Å; F180-R182 HydrophobicContact CE1-CG 3.95Å; F180-R182 HydrophobicContact CZ-CB 3.92Å; F180-R182 HydrophobicContact CZ-CG 4.24Å; F180-Y474 PolarHBondContact O-OH 2.96Å
181	A	98.2	Very high	96	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	170.9	164.7	0	0	0	0	0	109.2	Q161 I162 S163 Y474 I478 F492 G496	Q161-A181 PolarHBondContact O-N 2.95Å; I162-A181 CarbonylContact C-O 3.56Å; I162-A181 VanDerWaalsContact CA-O 3.25Å; I162-A181 WeakPolarHBondContact CA-O 3.4Å; I162-A181 HydrophobicContact CG1-CB 4.35Å; S163-A181 PolarHBondContact N-O 3.31Å; A181-Y474 HydrophobicContact CB-CE2 3.89Å; A181-I478 HydrophobicContact CB-CG2 4.3Å; A181-F492 HydrophobicContact CB-CD1 4.15Å; A181-F492 HydrophobicContact CB-CE1 4.18Å; A181-G496 CarbonylContact C-O 3.5Å; A181-G496 WeakPolarHBondContact CA-O 3.27Å; A181-G496 WeakPolarHBondContact CB-O 3.21Å
182	R	97.5	Very high	96	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	145.6	175.5	52.9	175.4	172.3	-156.7	-6.8	111.8	S163 S166 T167 T168 S172 F180 V184 S186 F492 G496 D497 G498	S163-R182 CarbonylContact O-C 3.57Å; S163-R182 WeakPolarHBondContact O-CA 3.49Å; S163-R182 WeakPolarHBondContact O-CB 3.29Å; S166-R182 WeakPolarHBondContact O-CD 3.34Å; S166-R182 PolarHBondContact O-NH1 3.01Å; T167-R182 VanDerWaalsContact CA-NH1 3.31Å; T167-R182 PolarHBondContact O-NH1 3.46Å; T168-R182 PolarHBondContact O-NH1 3.2Å; T168-R182 PolarHBondContact O-NH2 3.19Å; S172-R182 PolarHBondContact OG-NH2 2.95Å; F180-R182 HydrophobicContact CE1-CB 4.09Å; F180-R182 HydrophobicContact CE1-CG 3.95Å; F180-R182 HydrophobicContact CZ-CB 3.92Å; F180-R182 HydrophobicContact CZ-CG 4.24Å; R182-V184 HydrophobicContact CB-CG2 4.22Å; R182-V184 WeakPolarHBondContact CD-O 3.42Å; R182-V184 VanDerWaalsContact CG-O 3.29Å; R182-V184 WeakPolarHBondContact CG-O 3.35Å; R182-S186 VanDerWaalsContact NH2-CA 3.3Å; R182-S186 PolarHBondContact NH2-OG 2.61Å; R182-S186 VanDerWaalsContact NH2-OG 3.1Å; R182-F492 WeakPolarHBondContact O-CD1 3.43Å; R182-F492 VanDerWaalsContact O-CE1 3.26Å; R182-F492 WeakPolarHBondContact O-CE1 3.42Å; R182-G496 PolarHBondContact N-O 3.09Å; R182-D497 IonicContact CZ-OD1 3.41Å; R182-D497 IonicContact NE-OD1 3.55Å; R182-D497 PolarHBondContact NE-OD1 3.49Å; R182-D497 VanDerWaalsContact NH2-CG 3.25Å; R182-D497 IonicContact NH2-OD1 3.3Å; R182-D497 PolarHBondContact NH2-OD1 3.46Å; R182-D497 IonicContact NH2-OD2 2.72Å; R182-D497 PolarHBondContact NH2-OD2 3.28Å; R182-D497 VanDerWaalsContact NH2-OD2 3.16Å; R182-G498 WeakPolarHBondContact O-CA 3.33Å; R182-G498 PolarHBondContact O-N 3.35Å
183	T	96.3	Very high	96	Very high	9 Å²	9	30.8 Å²	30.8	6%	0.055	15%	0.153	C	C	.	.	S	Bend	trans	-83.1	-20.1	177.5	43.5	0	0	0	0	112.5	I162 S163 F427 D430 A431 F492	I162-T183 HydrophobicContact CG2-CG2 4.03Å; S163-T183 PolarHBondContact O-N 3.2Å; S163-T183 PolarHBondContact O-OG1 3.43Å; T183-F427 WeakPolarHBondContact O-CD1 3.48Å; T183-F427 WeakPolarHBondContact OG1-CB 3.14Å; T183-F427 PolarHBondContact OG1-O 3.3Å; T183-D430 HydrophobicContact CG2-CB 3.76Å; T183-A431 HydrophobicContact CG2-CB 4Å; T183-F492 HydrophobicContact CG2-CE1 4.11Å; T183-F492 HydrophobicContact CG2-CZ 4.11Å
184	V	96.1	Very high	96.1	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-83.1	154.1	169.7	-68.2	0	0	0	0	111.8	Y164 T167 R182 I321 F427 G498	Y164-V184 WeakPolarHBondContact O-CG1 3.29Å; T167-V184 HydrophobicContact CG2-CB 4.25Å; T167-V184 HydrophobicContact CG2-CG2 3.89Å; R182-V184 HydrophobicContact CB-CG2 4.22Å; R182-V184 WeakPolarHBondContact CD-O 3.42Å; R182-V184 VanDerWaalsContact CG-O 3.29Å; R182-V184 WeakPolarHBondContact CG-O 3.35Å; V184-I321 HydrophobicContact CB-CD1 4.05Å; V184-I321 HydrophobicContact CG1-CD1 3.93Å; V184-F427 HydrophobicContact CG1-CB 3.91Å; V184-F427 HydrophobicContact CG1-CD1 3.89Å; V184-F427 HydrophobicContact CG1-CD2 3.46Å; V184-F427 VanDerWaalsContact CG1-CD2 3.46Å; V184-F427 HydrophobicContact CG1-CE1 4.33Å; V184-F427 HydrophobicContact CG1-CE2 3.99Å; V184-F427 HydrophobicContact CG1-CG 3.45Å; V184-F427 VanDerWaalsContact CG1-CG 3.45Å; V184-F427 HydrophobicContact CG1-CZ 4.41Å; V184-G498 PolarHBondContact O-N 3.39Å
185	P	95.6	Very high	96.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-65.3	163.9	171.2	27.7	-38.7	0	0	0	114.6	I321 G498 Y502	P185-I321 HydrophobicContact CG-CD1 4.28Å; P185-I321 HydrophobicContact CG-CG1 4.31Å; P185-I321 HydrophobicContact CG-CG2 4.11Å; P185-G498 VanDerWaalsContact CA-O 3.3Å; P185-G498 WeakPolarHBondContact CA-O 3.45Å; P185-Y502 HydrophobicContact CB-CE2 4.43Å; P185-Y502 HydrophobicContact CG-CE2 4.04Å; P185-Y502 WeakPolarHBondContact CG-OH 3.45Å
186	S	95.5	Very high	96.4	Very high	6 Å²	6	15.3 Å²	15.3	4%	0.042	9%	0.091	C	C	.	.	P	Polyproline II helix	trans	-72.9	147.2	166.7	-170.1	0	0	0	0	112.7	T167 S172 R182 V188 V189 Q190	T167-S186 CarbonylContact O-C 3.58Å; S172-S186 PolarHBondContact OG-OG 3.01Å; R182-S186 VanDerWaalsContact NH2-CA 3.3Å; R182-S186 PolarHBondContact NH2-OG 2.61Å; R182-S186 VanDerWaalsContact NH2-OG 3.1Å; S186-V188 PolarHBondContact O-N 2.7Å; S186-V188 PolarHBondContact OG-N 2.96Å; S186-V189 PolarHBondContact O-N 2.93Å; S186-Q190 PolarHBondContact O-N 2.87Å
187	D	94.9	Very high	96.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58.9	-16.6	171.6	-75.4	-16.7	0	0	0	112	T167 T168 Q190 A191 Y215 F269	T167-D187 VanDerWaalsContact C-OD2 3.28Å; T167-D187 WeakPolarHBondContact CB-OD1 3.41Å; T167-D187 WeakPolarHBondContact O-CB 3.27Å; T167-D187 PolarHBondContact O-N 3.47Å; T167-D187 PolarHBondContact OG1-OD1 3.31Å; T167-D187 PolarHBondContact OG1-OD2 2.95Å; T168-D187 WeakPolarHBondContact CA-OD2 3.49Å; T168-D187 PolarHBondContact N-OD2 2.75Å; T168-D187 VanDerWaalsContact N-OD2 3.17Å; D187-Q190 WeakPolarHBondContact O-CB 3.4Å; D187-Q190 PolarHBondContact O-N 3.31Å; D187-Q190 PolarHBondContact OD1-OE1 2.95Å; D187-A191 WeakPolarHBondContact O-CB 3.2Å; D187-A191 PolarHBondContact O-N 3.4Å; D187-Y215 WeakPolarHBondContact OD2-CD2 3.45Å; D187-F269 HydrophobicContact CB-CE1 4.39Å; D187-F269 HydrophobicContact CB-CZ 4.12Å
188	V	94.7	Very high	96.5	Very high	63 Å²	63	13.6 Å²	13.6	38%	0.382	8%	0.079	S	C	.	.	H	α-helix	trans	-60.9	-45.4	170.1	179	0	0	0	0	111.1	A169 S186 Q190 A191 Q192	A169-V188 HydrophobicContact CB-CG2 3.66Å; S186-V188 PolarHBondContact O-N 2.7Å; S186-V188 PolarHBondContact OG-N 2.96Å; V188-Q190 VanDerWaalsContact C-N 3.3Å; V188-A191 PolarHBondContact O-N 2.75Å; V188-Q192 WeakPolarHBondContact O-CB 3.42Å; V188-Q192 PolarHBondContact O-N 3.43Å
189	V	95.3	Very high	96.4	Very high	44 Å²	44	13.1 Å²	13.1	27%	0.267	8%	0.077	S	C	.	.	H	α-helix	trans	-68.7	-36.8	177.6	-172.9	0	0	0	0	109.9	S186 Q192 A193 Y502 F524	S186-V189 PolarHBondContact O-N 2.93Å; V189-Q192 PolarHBondContact O-N 2.95Å; V189-A193 PolarHBondContact O-N 2.72Å; V189-Y502 HydrophobicContact CB-CE2 4.15Å; V189-Y502 HydrophobicContact CG1-CD2 4.37Å; V189-Y502 HydrophobicContact CG1-CE2 3.87Å; V189-F524 HydrophobicContact CG1-CE1 4.13Å
190	Q	95.5	Very high	96.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.1	-50.9	175	-165.4	174	45.8	0	0	112	S186 D187 V188 Q192 A193 M194 F269 D297 I319 Y502	S186-Q190 PolarHBondContact O-N 2.87Å; D187-Q190 WeakPolarHBondContact O-CB 3.4Å; D187-Q190 PolarHBondContact O-N 3.31Å; D187-Q190 PolarHBondContact OD1-OE1 2.95Å; V188-Q190 VanDerWaalsContact C-N 3.3Å; Q190-Q192 VanDerWaalsContact C-N 3.3Å; Q190-Q192 PolarHBondContact O-N 3.32Å; Q190-A193 WeakPolarHBondContact O-CB 3.36Å; Q190-A193 PolarHBondContact O-N 2.99Å; Q190-A193 VanDerWaalsContact O-N 3.11Å; Q190-M194 HydrophobicContact CG-SD 4.25Å; Q190-M194 WeakPolarHBondContact O-CG 3.46Å; Q190-M194 PolarHBondContact O-N 3.3Å; Q190-F269 HydrophobicContact CB-CZ 4.36Å; Q190-F269 HydrophobicContact CG-CZ 4.16Å; Q190-D297 PolarHBondContact NE2-OD1 3.46Å; Q190-I319 HydrophobicContact CG-CD1 3.33Å; Q190-I319 HydrophobicContact CG-CG1 4.37Å; Q190-Y502 HydrophobicContact CB-CE1 4.17Å; Q190-Y502 HydrophobicContact CB-CE2 4.33Å; Q190-Y502 WeakPolarHBondContact CB-OH 3.12Å; Q190-Y502 HydrophobicContact CG-CE1 3.89Å
191	A	96.6	Very high	96	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.1	-43	176.8	0	0	0	0	0	111.4	D187 V188 A193 M194 A195 A222 F223	D187-A191 WeakPolarHBondContact O-CB 3.2Å; D187-A191 PolarHBondContact O-N 3.4Å; V188-A191 PolarHBondContact O-N 2.75Å; A191-A193 PolarHBondContact O-N 3.37Å; A191-M194 PolarHBondContact O-N 2.74Å; A191-A195 VanDerWaalsContact O-CB 3.29Å; A191-A195 WeakPolarHBondContact O-CB 3.44Å; A191-A195 PolarHBondContact O-N 2.9Å; A191-A222 HydrophobicContact CB-CB 3.62Å; A191-F223 HydrophobicContact CB-CB 4.14Å; A191-F223 VanDerWaalsContact CB-N 3.35Å
192	Q	96	Very high	95.8	Very high	65 Å²	65	22.3 Å²	22.3	30%	0.304	13%	0.134	S	C	.	.	H	α-helix	trans	-61.1	-43.6	174.6	-168.3	-172.6	0.1	0	0	111.5	V188 V189 Q190 A195 T196 E226 F524	V188-Q192 WeakPolarHBondContact O-CB 3.42Å; V188-Q192 PolarHBondContact O-N 3.43Å; V189-Q192 PolarHBondContact O-N 2.95Å; Q190-Q192 VanDerWaalsContact C-N 3.3Å; Q190-Q192 PolarHBondContact O-N 3.32Å; Q192-A195 PolarHBondContact O-N 3.46Å; Q192-T196 VanDerWaalsContact O-CB 3.27Å; Q192-T196 WeakPolarHBondContact O-CB 3.4Å; Q192-T196 PolarHBondContact O-N 2.97Å; Q192-T196 PolarHBondContact O-OG1 3.47Å; Q192-E226 HydrophobicContact CB-CG 4.25Å; Q192-F524 HydrophobicContact CB-CZ 4.24Å; Q192-F524 HydrophobicContact CG-CZ 3.86Å
193	A	96.7	Very high	95.7	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.008	13%	0.134	C	C	.	.	H	α-helix	trans	-60.4	-46.9	176.5	0	0	0	0	0	111.7	V189 Q190 A191 L197 I319 Y502 F524	V189-A193 PolarHBondContact O-N 2.72Å; Q190-A193 WeakPolarHBondContact O-CB 3.36Å; Q190-A193 PolarHBondContact O-N 2.99Å; Q190-A193 VanDerWaalsContact O-N 3.11Å; A191-A193 PolarHBondContact O-N 3.37Å; A193-L197 VanDerWaalsContact O-CB 3.28Å; A193-L197 WeakPolarHBondContact O-CB 3.06Å; A193-L197 PolarHBondContact O-N 3.05Å; A193-I319 HydrophobicContact CB-CD1 4.5Å; A193-Y502 HydrophobicContact CB-CD2 4.37Å; A193-F524 HydrophobicContact CB-CB 3.9Å; A193-F524 HydrophobicContact CB-CD1 3.47Å; A193-F524 VanDerWaalsContact CB-CD1 3.47Å; A193-F524 HydrophobicContact CB-CD2 3.97Å; A193-F524 HydrophobicContact CB-CE1 3.88Å; A193-F524 HydrophobicContact CB-CE2 4.35Å; A193-F524 HydrophobicContact CB-CG 3.5Å; A193-F524 HydrophobicContact CB-CZ 4.29Å
194	M	97.8	Very high	95.6	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.5	-44.7	178.9	-64.7	174.4	75.9	0	0	111.9	Q190 A191 L197 V198 F223 V267 F269 I294 I319	Q190-M194 HydrophobicContact CG-SD 4.25Å; Q190-M194 WeakPolarHBondContact O-CG 3.46Å; Q190-M194 PolarHBondContact O-N 3.3Å; A191-M194 PolarHBondContact O-N 2.74Å; M194-L197 WeakPolarHBondContact O-CB 3.36Å; M194-L197 PolarHBondContact O-N 3.28Å; M194-V198 WeakPolarHBondContact O-CG2 3.42Å; M194-V198 PolarHBondContact O-N 2.92Å; M194-F223 HydrophobicContact CB-CD2 3.91Å; M194-F223 HydrophobicContact CB-CE2 4.02Å; M194-V267 HydrophobicContact CE-CG1 3.48Å; M194-V267 VanDerWaalsContact CE-CG1 3.48Å; M194-F269 HydrophobicContact CE-CD2 4.48Å; M194-F269 HydrophobicContact SD-CD2 4.13Å; M194-F269 HydrophobicContact SD-CE2 3.79Å; M194-I294 HydrophobicContact CB-CG2 4.47Å; M194-I294 HydrophobicContact CE-CG2 4.1Å; M194-I319 HydrophobicContact CG-CD1 3.36Å; M194-I319 HydrophobicContact CG-CG1 4.22Å; M194-I319 HydrophobicContact SD-CD1 3.84Å
195	A	97.7	Very high	95.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.9	-41.7	179.3	0	0	0	0	0	111.6	A191 Q192 L197 V198 S199 F223 E226 L230	A191-A195 VanDerWaalsContact O-CB 3.29Å; A191-A195 WeakPolarHBondContact O-CB 3.44Å; A191-A195 PolarHBondContact O-N 2.9Å; Q192-A195 PolarHBondContact O-N 3.46Å; A195-L197 VanDerWaalsContact C-N 3.32Å; A195-L197 PolarHBondContact O-N 3.32Å; A195-V198 PolarHBondContact O-N 3.41Å; A195-S199 WeakPolarHBondContact O-CB 2.94Å; A195-S199 PolarHBondContact O-N 2.85Å; A195-F223 HydrophobicContact CB-CD2 4.15Å; A195-F223 HydrophobicContact CB-CE2 3.96Å; A195-E226 HydrophobicContact CB-CB 3.6Å; A195-L230 VanDerWaalsContact C-CD1 3.48Å; A195-L230 HydrophobicContact CB-CD1 3.89Å; A195-L230 WeakPolarHBondContact O-CD1 3.34Å
196	T	96.7	Very high	95.6	Very high	32 Å²	32	25.4 Å²	25.4	20%	0.196	15%	0.151	C	C	.	.	H	α-helix	trans	-63.2	-40.2	173.9	-54.2	0	0	0	0	111.1	Q192 V198 S199 A200 F524 L529	Q192-T196 VanDerWaalsContact O-CB 3.27Å; Q192-T196 WeakPolarHBondContact O-CB 3.4Å; Q192-T196 PolarHBondContact O-N 2.97Å; Q192-T196 PolarHBondContact O-OG1 3.47Å; T196-V198 VanDerWaalsContact C-N 3.34Å; T196-V198 PolarHBondContact O-N 3.14Å; T196-S199 PolarHBondContact O-N 3.27Å; T196-A200 WeakPolarHBondContact O-CB 3.36Å; T196-A200 PolarHBondContact O-N 2.9Å; T196-F524 HydrophobicContact CG2-CE2 4.28Å; T196-L529 HydrophobicContact CG2-CB 3.73Å; T196-L529 HydrophobicContact CG2-CD2 4.26Å
197	L	96.5	Very high	95.7	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-61.4	-42.4	175.7	-177.7	62.1	0	0	0	111.9	A193 M194 A195 H201 I294 L317 I504 L529 M531	A193-L197 VanDerWaalsContact O-CB 3.28Å; A193-L197 WeakPolarHBondContact O-CB 3.06Å; A193-L197 PolarHBondContact O-N 3.05Å; M194-L197 WeakPolarHBondContact O-CB 3.36Å; M194-L197 PolarHBondContact O-N 3.28Å; A195-L197 VanDerWaalsContact C-N 3.32Å; A195-L197 PolarHBondContact O-N 3.32Å; L197-H201 VanDerWaalsContact CD1-CE1 3.5Å; L197-H201 WeakPolarHBondContact CD1-CE1 3.35Å; L197-H201 PolarHBondContact O-ND1 3.19Å; L197-I294 HydrophobicContact CD2-CD1 4.39Å; L197-I294 HydrophobicContact CD2-CG2 4.19Å; L197-L317 HydrophobicContact CD1-CD1 4.26Å; L197-L317 HydrophobicContact CD2-CB 4.15Å; L197-L317 HydrophobicContact CD2-CD1 4.07Å; L197-L317 HydrophobicContact CG-CD1 4.33Å; L197-I504 HydrophobicContact CD1-CD1 4.1Å; L197-I504 HydrophobicContact CD2-CD1 4.44Å; L197-I504 HydrophobicContact CD2-CG2 4.03Å; L197-L529 HydrophobicContact CD1-CD1 4.26Å; L197-L529 HydrophobicContact CD1-CD2 4.09Å; L197-M531 HydrophobicContact CD1-SD 4.07Å
198	V	97.1	Very high	95.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.2	-49.1	176.5	170.3	0	0	0	0	111.1	M194 A195 T196 A200 H201 W203 V206 F223 V232 V267 I294	M194-V198 WeakPolarHBondContact O-CG2 3.42Å; M194-V198 PolarHBondContact O-N 2.92Å; A195-V198 PolarHBondContact O-N 3.41Å; T196-V198 VanDerWaalsContact C-N 3.34Å; T196-V198 PolarHBondContact O-N 3.14Å; V198-A200 PolarHBondContact O-N 3.43Å; V198-H201 PolarHBondContact O-N 3.34Å; V198-W203 HydrophobicContact CB-CE3 4.48Å; V198-W203 HydrophobicContact CG1-CB 3.89Å; V198-W203 HydrophobicContact CG1-CE3 4.43Å; V198-W203 WeakPolarHBondContact CG1-O 3.34Å; V198-W203 HydrophobicContact CG2-CE3 4.47Å; V198-W203 PolarHBondContact O-N 3.06Å; V198-V206 HydrophobicContact CG1-CG1 3.64Å; V198-F223 HydrophobicContact CG2-CZ 4.45Å; V198-V232 HydrophobicContact CG1-CG1 3.85Å; V198-V232 HydrophobicContact CG1-CG2 4.01Å; V198-V267 HydrophobicContact CG2-CG2 4.19Å; V198-I294 HydrophobicContact CG2-CG1 4.28Å
199	S	95.1	Very high	96	Very high	41 Å²	41	22.1 Å²	22.1	29%	0.287	13%	0.131	S	C	.	.	H	α-helix	trans	-63	-42.1	-179.9	-176.7	0	0	0	0	112.4	A195 T196 H201 N202	A195-S199 WeakPolarHBondContact O-CB 2.94Å; A195-S199 PolarHBondContact O-N 2.85Å; T196-S199 PolarHBondContact O-N 3.27Å; S199-H201 PolarHBondContact O-N 3.42Å; S199-H201 VanDerWaalsContact O-N 3.12Å; S199-N202 PolarHBondContact O-N 3.05Å
200	A	93.7	Very high	96.1	Very high	59 Å²	59	21.8 Å²	21.8	49%	0.488	13%	0.125	S	C	.	.	H	α-helix	trans	-62.6	-20.9	179.5	0	0	0	0	0	114	T196 V198 L529	T196-A200 WeakPolarHBondContact O-CB 3.36Å; T196-A200 PolarHBondContact O-N 2.9Å; V198-A200 PolarHBondContact O-N 3.43Å; A200-L529 HydrophobicContact CB-CD2 3.47Å; A200-L529 VanDerWaalsContact CB-CD2 3.47Å
201	H	93.2	Very high	96	Very high	24 Å²	24	22.4 Å²	22.4	11%	0.111	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	11.4	175.6	-69.1	88.8	0	0	0	113.4	L197 V198 S199 W203 W537	L197-H201 VanDerWaalsContact CD1-CE1 3.5Å; L197-H201 WeakPolarHBondContact CD1-CE1 3.35Å; L197-H201 PolarHBondContact O-ND1 3.19Å; V198-H201 PolarHBondContact O-N 3.34Å; S199-H201 PolarHBondContact O-N 3.42Å; S199-H201 VanDerWaalsContact O-N 3.12Å; H201-W203 HydrophobicContact CB-CD2 3.7Å; H201-W203 HydrophobicContact CB-CE3 3.72Å; H201-W203 HydrophobicContact CB-CG 4.4Å; H201-W203 HydrophobicContact CB-CH2 3.82Å; H201-W203 HydrophobicContact CB-CZ2 3.83Å; H201-W203 HydrophobicContact CB-CZ3 3.75Å; H201-W203 AromaticContact CG-CH2 3.88Å; H201-W203 AromaticContact CG-CZ3 3.99Å; H201-W203 PolarHBondContact O-N 3.47Å; H201-W537 AromaticContact CD2-CH2 3.48Å; H201-W537 VanDerWaalsContact CD2-CH2 3.48Å; H201-W537 WeakPolarHBondContact CD2-CH2 3.44Å; H201-W537 AromaticContact CD2-CZ2 3.68Å; H201-W537 AromaticContact NE2-CH2 3.64Å; H201-W537 AromaticContact NE2-CZ2 3.98Å
202	N	92.9	Very high	95.7	Very high	124 Å²	124	24.5 Å²	24.5	66%	0.663	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	29.6	-178.6	-59.7	-41.5	0	0	0	114	S199 Q549	S199-N202 PolarHBondContact O-N 3.05Å; N202-Q549 PolarHBondContact O-NE2 3.43Å
203	W	95.3	Very high	95.3	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.015	15%	0.148	C	C	.	.			trans	-87.7	118	171.4	-61.3	-38	0	0	0	109.5	V198 H201 V206 V265 V292 I294 L317 W537 P546	V198-W203 HydrophobicContact CB-CE3 4.48Å; V198-W203 HydrophobicContact CG1-CB 3.89Å; V198-W203 HydrophobicContact CG1-CE3 4.43Å; V198-W203 WeakPolarHBondContact CG1-O 3.34Å; V198-W203 HydrophobicContact CG2-CE3 4.47Å; V198-W203 PolarHBondContact O-N 3.06Å; H201-W203 HydrophobicContact CB-CD2 3.7Å; H201-W203 HydrophobicContact CB-CE3 3.72Å; H201-W203 HydrophobicContact CB-CG 4.4Å; H201-W203 HydrophobicContact CB-CH2 3.82Å; H201-W203 HydrophobicContact CB-CZ2 3.83Å; H201-W203 HydrophobicContact CB-CZ3 3.75Å; H201-W203 AromaticContact CG-CH2 3.88Å; H201-W203 AromaticContact CG-CZ3 3.99Å; H201-W203 PolarHBondContact O-N 3.47Å; W203-V206 HydrophobicContact CB-CG1 4.45Å; W203-V265 HydrophobicContact CB-CG2 4.34Å; W203-V265 HydrophobicContact CD2-CB 4.48Å; W203-V265 HydrophobicContact CD2-CG1 4.47Å; W203-V265 HydrophobicContact CD2-CG2 3.4Å; W203-V265 VanDerWaalsContact CD2-CG2 3.4Å; W203-V265 HydrophobicContact CE3-CG1 4.02Å; W203-V265 HydrophobicContact CE3-CG2 3.74Å; W203-V265 HydrophobicContact CG-CG2 3.67Å; W203-V265 HydrophobicContact CH2-CG2 4.47Å; W203-V265 HydrophobicContact CZ2-CG2 4.15Å; W203-V265 HydrophobicContact CZ3-CG1 4.43Å; W203-V265 HydrophobicContact CZ3-CG2 4.29Å; W203-V292 HydrophobicContact CH2-CG1 3.95Å; W203-V292 HydrophobicContact CZ2-CG1 4.22Å; W203-I294 HydrophobicContact CH2-CD1 4.28Å; W203-I294 HydrophobicContact CZ3-CD1 3.75Å; W203-I294 HydrophobicContact CZ3-CG1 4.31Å; W203-L317 HydrophobicContact CH2-CD1 4.44Å; W203-W537 AromaticContact CH2-CH2 3.69Å; W203-W537 HydrophobicContact CH2-CH2 3.69Å; W203-W537 AromaticContact CH2-CZ3 3.63Å; W203-W537 HydrophobicContact CH2-CZ3 3.63Å; W203-W537 AromaticContact CZ2-CH2 3.83Å; W203-W537 HydrophobicContact CZ2-CH2 3.83Å; W203-W537 AromaticContact CZ2-CZ3 3.82Å; W203-W537 HydrophobicContact CZ2-CZ3 3.82Å; W203-P546 HydrophobicContact CZ2-CG 3.85Å; W203-P546 PolarHBondContact NE1-O 2.97Å
204	T	93.6	Very high	94.8	Very high	62 Å²	62	25.6 Å²	25.6	38%	0.38	16%	0.162	S	C	.	.			trans	-109.2	-3.9	-177.5	59.5	0	0	0	0	112.5	C233 S548 Q549	T204-C233 WeakPolarHBondContact O-CB 3.48Å; T204-C233 PolarHBondContact O-N 2.94Å; T204-S548 PolarHBondContact N-O 2.83Å; T204-S548 VanDerWaalsContact N-O 3.16Å; T204-Q549 WeakPolarHBondContact OG1-CG 3.24Å
205	Y	95.7	Very high	94.2	Very high	7 Å²	7	27.6 Å²	27.6	3%	0.027	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	111.1	-176.5	-169.8	-116	0	0	0	110.3	C233 A235 K262 A263 S548 C550 Q566	Y205-C233 WeakPolarHBondContact CA-O 3.28Å; Y205-C233 HydrophobicContact CD2-CB 4.03Å; Y205-A235 HydrophobicContact CD1-CB 4.12Å; Y205-A235 HydrophobicContact CD2-CB 4.16Å; Y205-A235 HydrophobicContact CE1-CB 3.51Å; Y205-A235 HydrophobicContact CE2-CB 3.57Å; Y205-A235 HydrophobicContact CG-CB 4.42Å; Y205-A235 WeakPolarHBondContact OH-CB 3.32Å; Y205-K262 HydrophobicContact CD1-CB 4.35Å; Y205-K262 HydrophobicContact CE1-CB 4.24Å; Y205-A263 HydrophobicContact CD1-CB 3.62Å; Y205-A263 HydrophobicContact CE1-CB 3.65Å; Y205-S548 PolarHBondContact N-O 2.95Å; Y205-S548 VanDerWaalsContact N-O 3.1Å; Y205-S548 WeakPolarHBondContact O-CB 3.19Å; Y205-S548 PolarHBondContact O-OG 3.41Å; Y205-C550 HydrophobicContact CD1-CB 3.76Å; Y205-C550 HydrophobicContact CD2-CB 3.61Å; Y205-C550 HydrophobicContact CE1-CB 3.81Å; Y205-C550 HydrophobicContact CE2-CB 3.65Å; Y205-C550 HydrophobicContact CG-CB 3.65Å; Y205-Q566 PolarHBondContact OH-NE2 3.09Å; Y205-Q566 PolarHBondContact OH-OE1 2.9Å
206	V	97.5	Very high	93.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147.4	-173.6	-54.2	0	0	0	0	111.2	V198 W203 F223 V232 C233 I234 A235 V265 V267	V198-V206 HydrophobicContact CG1-CG1 3.64Å; W203-V206 HydrophobicContact CB-CG1 4.45Å; V206-F223 HydrophobicContact CG2-CE1 4.35Å; V206-F223 HydrophobicContact CG2-CZ 4.4Å; V206-V232 HydrophobicContact CG1-CG1 4.05Å; V206-V232 HydrophobicContact CG2-CG1 3.82Å; V206-C233 PolarHBondContact N-O 3.04Å; V206-I234 HydrophobicContact CG2-CD1 3.73Å; V206-I234 CarbonylContact O-C 3.4Å; V206-I234 WeakPolarHBondContact O-CA 3.46Å; V206-A235 PolarHBondContact O-N 3.39Å; V206-V265 WeakPolarHBondContact CA-O 3.48Å; V206-V265 HydrophobicContact CB-CB 4.4Å; V206-V265 HydrophobicContact CB-CG1 4.27Å; V206-V265 HydrophobicContact CG1-CB 3.89Å; V206-V265 HydrophobicContact CG1-CG1 3.74Å; V206-V267 HydrophobicContact CB-CG2 4.19Å; V206-V267 HydrophobicContact CG2-CG2 4.08Å
207	S	97.9	Very high	93.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	154.5	167.4	-69.3	0	0	0	0	110.1	A263 V265 V266 V267	S207-A263 WeakPolarHBondContact OG-CB 2.97Å; S207-V265 PolarHBondContact N-O 2.95Å; S207-V266 CarbonylContact O-C 3.56Å; S207-V266 WeakPolarHBondContact O-CA 3.39Å; S207-V267 PolarHBondContact O-N 3.48Å
208	T	98.2	Very high	93.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.1	-177.7	57.2	0	0	0	0	110.6	M220 F223 W224 I234 A236 E238 V267	T208-M220 HydrophobicContact CG2-CE 4.32Å; T208-M220 HydrophobicContact CG2-SD 3.74Å; T208-F223 HydrophobicContact CG2-CD1 4.21Å; T208-F223 HydrophobicContact CG2-CE1 3.91Å; T208-W224 PolarHBondContact OG1-NE1 3.24Å; T208-I234 HydrophobicContact CG2-CD1 4.03Å; T208-I234 HydrophobicContact CG2-CG2 3.9Å; T208-A236 PolarHBondContact N-O 2.87Å; T208-A236 PolarHBondContact OG1-O 3.46Å; T208-E238 PolarHBondContact O-N 3.3Å; T208-V267 WeakPolarHBondContact CA-O 3.26Å; T208-V267 HydrophobicContact CG2-CB 4.22Å
209	V	98.1	Very high	93.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	132.4	173.5	-170	0	0	0	0	108.3	M220 E238 I240 L256 V266 V267 L268 F269 T270 L278	V209-M220 WeakPolarHBondContact O-CE 3.38Å; V209-E238 WeakPolarHBondContact CA-O 3.48Å; V209-E238 HydrophobicContact CG1-CB 4.37Å; V209-E238 HydrophobicContact CG2-CB 4.21Å; V209-I240 HydrophobicContact CG1-CD1 3.81Å; V209-I240 HydrophobicContact CG1-CG1 3.88Å; V209-L256 HydrophobicContact CG2-CD1 3.83Å; V209-L256 HydrophobicContact CG2-CD2 4.38Å; V209-V266 HydrophobicContact CG2-CG1 3.71Å; V209-V267 PolarHBondContact N-O 3.37Å; V209-L268 HydrophobicContact CB-CD2 3.69Å; V209-L268 HydrophobicContact CG2-CD2 3.98Å; V209-L268 WeakPolarHBondContact O-CA 3.47Å; V209-F269 PolarHBondContact O-N 3.41Å; V209-T270 HydrophobicContact CG1-CG2 4.42Å; V209-L278 HydrophobicContact CB-CD2 4.4Å; V209-L278 HydrophobicContact CG1-CD2 4.17Å; V209-L278 HydrophobicContact CG2-CD2 4.33Å
210	R	96.3	Very high	93.7	Very high	38 Å²	38	27.6 Å²	27.6	14%	0.143	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	153.1	178.2	69.4	-172.9	-175.3	-81.6	5.5	112.5	G216 D217 M220 E238 V239 I240 F269	R210-G216 WeakPolarHBondContact CD-O 3.41Å; R210-D217 IonicContact CZ-OD1 2.68Å; R210-D217 IonicContact NE-OD1 3.77Å; R210-D217 PolarHBondContact NE-OD1 2.69Å; R210-D217 IonicContact NH2-OD1 2.94Å; R210-M220 HydrophobicContact CB-CB 4.05Å; R210-M220 HydrophobicContact CB-CE 4.18Å; R210-M220 HydrophobicContact CB-CG 4.37Å; R210-M220 HydrophobicContact CG-CB 4.45Å; R210-E238 PolarHBondContact N-O 2.9Å; R210-E238 VanDerWaalsContact N-O 3.08Å; R210-V239 HydrophobicContact CG-CG1 4.47Å; R210-V239 HydrophobicContact CG-CG2 4.13Å; R210-V239 WeakPolarHBondContact O-CA 3.44Å; R210-I240 PolarHBondContact O-N 3.44Å; R210-F269 WeakPolarHBondContact CA-O 3.34Å; R210-F269 HydrophobicContact CB-CB 4.35Å
211	S	93.4	Very high	93.8	Very high	12 Å²	12	28.4 Å²	28.4	8%	0.084	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	135.3	164.6	-68.1	0	0	0	0	109.3	G216 F269 T270 G271 H274	S211-G216 VanDerWaalsContact O-CA 3.28Å; S211-G216 WeakPolarHBondContact O-CA 3.37Å; S211-F269 PolarHBondContact N-O 3.49Å; S211-T270 WeakPolarHBondContact OG-CA 3.24Å; S211-G271 PolarHBondContact OG-N 2.95Å; S211-G271 VanDerWaalsContact OG-N 3.15Å; S211-H274 WeakPolarHBondContact CB-ND1 3.37Å; S211-H274 PolarHBondContact OG-ND1 3.41Å
212	A	91.2	Very high	93.9	Very high	44 Å²	44	27.8 Å²	27.8	36%	0.364	16%	0.162	S	C	.	.	S	Bend	trans	-62.6	138	168.4	0	0	0	0	0	110.2	V239 I240 R241	A212-V239 HydrophobicContact CB-CG1 3.82Å; A212-I240 PolarHBondContact N-O 3.28Å; A212-R241 HydrophobicContact CB-CB 4.4Å; A212-R241 HydrophobicContact CB-CG 3.93Å
213	G	86.1	Confident	94.2	Very high	32 Å²	32	21.9 Å²	21.9	33%	0.33	13%	0.131	S	C	.	.	S	Bend	trans	118.8	174	-179.9	0	0	0	0	0	113.1	Y215 G216 D217	G213-Y215 PolarHBondContact O-N 3.41Å; G213-G216 PolarHBondContact O-N 3.48Å; G213-D217 PolarHBondContact N-OD2 3.19Å; G213-D217 WeakPolarHBondContact O-CB 3.1Å; G213-D217 PolarHBondContact O-N 3.41Å
214	D	85.9	Confident	94.3	Very high	58 Å²	58	23.4 Å²	23.4	31%	0.31	14%	0.137	S	C	.	.	H	α-helix	trans	-60.8	-26.9	-164.6	-55.3	-62.1	0	0	0	115.3	S145 I148 T168 I170 S218	S145-D214 WeakPolarHBondContact CA-OD2 3.24Å; S145-D214 WeakPolarHBondContact CB-OD2 3.35Å; I148-D214 HydrophobicContact CD1-CB 3.49Å; I148-D214 VanDerWaalsContact CD1-CB 3.49Å; I148-D214 VanDerWaalsContact CD1-CG 3.44Å; T168-D214 PolarHBondContact OG1-O 2.82Å; I170-D214 HydrophobicContact CD1-CB 4.38Å; D214-S218 WeakPolarHBondContact O-CB 3.25Å
215	Y	87	Confident	94.4	Very high	41 Å²	41	27.1 Å²	27.1	16%	0.161	15%	0.148	C	C	.	.	H	α-helix	trans	-74.8	-58.4	175	172.1	-113.6	0	0	0	111.1	T167 D187 G213 G219 F269 S296 D297 G298	T167-Y215 WeakPolarHBondContact OG1-CE2 3.33Å; D187-Y215 WeakPolarHBondContact OD2-CD2 3.45Å; G213-Y215 PolarHBondContact O-N 3.41Å; Y215-G219 PolarHBondContact O-N 2.83Å; Y215-F269 HydrophobicContact CD2-CE1 4.32Å; Y215-F269 HydrophobicContact CE1-CD1 4.04Å; Y215-F269 HydrophobicContact CE2-CD1 4.03Å; Y215-F269 AromaticContact CE2-CE1 3.69Å; Y215-F269 HydrophobicContact CE2-CE1 3.69Å; Y215-F269 AromaticContact CZ-CD1 3.76Å; Y215-F269 AromaticContact CZ-CE1 3.8Å; Y215-S296 WeakPolarHBondContact OH-CB 3.43Å; Y215-S296 PolarHBondContact OH-OG 3.12Å; Y215-D297 PolarHBondContact OH-OD1 3.34Å; Y215-G298 PolarHBondContact OH-N 3.22Å; Y215-G298 VanDerWaalsContact OH-N 3.09Å
216	G	91.5	Very high	94.5	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-71.1	-38.7	-174.5	0	0	0	0	0	113.3	R210 S211 G213 M220 F269	R210-G216 WeakPolarHBondContact CD-O 3.41Å; S211-G216 VanDerWaalsContact O-CA 3.28Å; S211-G216 WeakPolarHBondContact O-CA 3.37Å; G213-G216 PolarHBondContact O-N 3.48Å; G216-M220 WeakPolarHBondContact O-CB 3.35Å; G216-M220 PolarHBondContact O-N 3.43Å; G216-F269 WeakPolarHBondContact CA-O 3.21Å
217	D	94.5	Very high	94.4	Very high	56 Å²	56	28.3 Å²	28.3	30%	0.299	15%	0.154	S	C	.	.	H	α-helix	trans	-67.1	-52.3	177.8	-70.3	-46.7	0	0	0	111.3	R210 G213 G219 M220 D221	R210-D217 IonicContact CZ-OD1 2.68Å; R210-D217 IonicContact NE-OD1 3.77Å; R210-D217 PolarHBondContact NE-OD1 2.69Å; R210-D217 IonicContact NH2-OD1 2.94Å; G213-D217 PolarHBondContact N-OD2 3.19Å; G213-D217 WeakPolarHBondContact O-CB 3.1Å; G213-D217 PolarHBondContact O-N 3.41Å; D217-G219 PolarHBondContact O-N 2.84Å; D217-M220 PolarHBondContact O-N 2.97Å; D217-D221 WeakPolarHBondContact O-CB 3.43Å; D217-D221 PolarHBondContact O-N 3.45Å
218	S	93.5	Very high	94.2	Very high	17 Å²	17	34.5 Å²	34.5	12%	0.119	19%	0.186	C	C	.	.	H	α-helix	trans	-66.3	-40.7	-179.9	-175.8	0	0	0	0	112.8	T168 A169 D214 A222	T168-S218 WeakPolarHBondContact OG1-CB 3.21Å; A169-S218 WeakPolarHBondContact CB-OG 3.31Å; A169-S218 PolarHBondContact N-OG 3.02Å; D214-S218 WeakPolarHBondContact O-CB 3.25Å; S218-A222 PolarHBondContact O-N 3.44Å; S218-A222 VanDerWaalsContact O-N 3.08Å
219	G	94.5	Very high	94.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.3	-42.5	179.6	0	0	0	0	0	112	Y215 D217 A222 F223 F269	Y215-G219 PolarHBondContact O-N 2.83Å; D217-G219 PolarHBondContact O-N 2.84Å; G219-A222 PolarHBondContact O-N 3.16Å; G219-F223 PolarHBondContact O-N 2.83Å; G219-F269 VanDerWaalsContact C-CE2 3.44Å; G219-F269 VanDerWaalsContact CA-CZ 3.44Å; G219-F269 VanDerWaalsContact O-CE2 3.3Å; G219-F269 WeakPolarHBondContact O-CE2 3.46Å
220	M	97.1	Very high	93.9	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-70.3	-36.8	177.2	-167.5	58.3	73.3	0	0	112.6	T208 V209 R210 G216 D217 A222 F223 W224 F269	T208-M220 HydrophobicContact CG2-CE 4.32Å; T208-M220 HydrophobicContact CG2-SD 3.74Å; V209-M220 WeakPolarHBondContact O-CE 3.38Å; R210-M220 HydrophobicContact CB-CB 4.05Å; R210-M220 HydrophobicContact CB-CE 4.18Å; R210-M220 HydrophobicContact CB-CG 4.37Å; R210-M220 HydrophobicContact CG-CB 4.45Å; G216-M220 WeakPolarHBondContact O-CB 3.35Å; G216-M220 PolarHBondContact O-N 3.43Å; D217-M220 PolarHBondContact O-N 2.97Å; M220-A222 VanDerWaalsContact C-N 3.3Å; M220-A222 PolarHBondContact O-N 3.45Å; M220-F223 WeakPolarHBondContact O-CB 3.35Å; M220-F223 PolarHBondContact O-N 3.5Å; M220-F223 VanDerWaalsContact O-N 3.17Å; M220-F223 HydrophobicContact SD-CB 4.15Å; M220-F223 HydrophobicContact SD-CD1 3.71Å; M220-F223 HydrophobicContact SD-CG 4.24Å; M220-W224 HydrophobicContact CG-CD2 4.15Å; M220-W224 HydrophobicContact CG-CH2 4.21Å; M220-W224 HydrophobicContact CG-CZ2 3.6Å; M220-W224 PolarHBondContact O-N 3.39Å; M220-F269 HydrophobicContact CB-CB 4.36Å; M220-F269 HydrophobicContact CE-CB 3.66Å; M220-F269 HydrophobicContact CE-CD2 4.49Å
221	D	96.6	Very high	93.7	Very high	76 Å²	76	45.9 Å²	45.9	41%	0.406	26%	0.257	S	S	.	.	H	α-helix	trans	-61.5	-39.2	172.9	-83.3	-8.9	0	0	0	111.8	D217 W224 K225	D217-D221 WeakPolarHBondContact O-CB 3.43Å; D217-D221 PolarHBondContact O-N 3.45Å; D221-W224 WeakPolarHBondContact OD1-CZ3 3.23Å; D221-K225 WeakPolarHBondContact O-CG 3.29Å; D221-K225 PolarHBondContact O-N 3.33Å
222	A	96.4	Very high	93.8	Very high	12 Å²	12	45.7 Å²	45.7	10%	0.099	26%	0.255	C	S	.	.	H	α-helix	trans	-65	-43.4	172.7	0	0	0	0	0	111.2	A191 S218 G219 M220 W224 K225 E226	A191-A222 HydrophobicContact CB-CB 3.62Å; S218-A222 PolarHBondContact O-N 3.44Å; S218-A222 VanDerWaalsContact O-N 3.08Å; G219-A222 PolarHBondContact O-N 3.16Å; M220-A222 VanDerWaalsContact C-N 3.3Å; M220-A222 PolarHBondContact O-N 3.45Å; A222-W224 PolarHBondContact O-N 3.34Å; A222-K225 PolarHBondContact O-N 3.16Å; A222-E226 PolarHBondContact O-N 3.49Å; A222-E226 VanDerWaalsContact O-N 3.1Å
223	F	97.9	Very high	93.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.8	-46.1	176.4	174.5	-96.6	0	0	0	112	A191 M194 A195 V198 V206 T208 G219 M220 K225 E226 A227 I234 V267	A191-F223 HydrophobicContact CB-CB 4.14Å; A191-F223 VanDerWaalsContact CB-N 3.35Å; M194-F223 HydrophobicContact CB-CD2 3.91Å; M194-F223 HydrophobicContact CB-CE2 4.02Å; A195-F223 HydrophobicContact CB-CD2 4.15Å; A195-F223 HydrophobicContact CB-CE2 3.96Å; V198-F223 HydrophobicContact CG2-CZ 4.45Å; V206-F223 HydrophobicContact CG2-CE1 4.35Å; V206-F223 HydrophobicContact CG2-CZ 4.4Å; T208-F223 HydrophobicContact CG2-CD1 4.21Å; T208-F223 HydrophobicContact CG2-CE1 3.91Å; G219-F223 PolarHBondContact O-N 2.83Å; M220-F223 WeakPolarHBondContact O-CB 3.35Å; M220-F223 PolarHBondContact O-N 3.5Å; M220-F223 VanDerWaalsContact O-N 3.17Å; M220-F223 HydrophobicContact SD-CB 4.15Å; M220-F223 HydrophobicContact SD-CD1 3.71Å; M220-F223 HydrophobicContact SD-CG 4.24Å; F223-K225 VanDerWaalsContact C-N 3.29Å; F223-K225 PolarHBondContact O-N 2.89Å; F223-E226 PolarHBondContact O-N 3.24Å; F223-A227 HydrophobicContact CD1-CB 4.48Å; F223-A227 HydrophobicContact CE1-CB 4.06Å; F223-A227 HydrophobicContact CZ-CB 4.13Å; F223-A227 WeakPolarHBondContact O-CB 3.01Å; F223-A227 PolarHBondContact O-N 3.45Å; F223-I234 HydrophobicContact CE1-CD1 3.97Å; F223-V267 HydrophobicContact CD1-CG1 4.25Å; F223-V267 HydrophobicContact CD2-CG1 4.16Å; F223-V267 HydrophobicContact CE1-CB 4.18Å; F223-V267 HydrophobicContact CE1-CG1 4.01Å; F223-V267 HydrophobicContact CE1-CG2 4.06Å; F223-V267 HydrophobicContact CE2-CG1 3.89Å; F223-V267 HydrophobicContact CE2-CG2 4.31Å; F223-V267 HydrophobicContact CG-CG1 4.34Å; F223-V267 HydrophobicContact CZ-CB 4.14Å; F223-V267 HydrophobicContact CZ-CG1 3.85Å; F223-V267 HydrophobicContact CZ-CG2 3.66Å
224	W	97.2	Very high	94.3	Very high	36 Å²	36	44.7 Å²	44.7	14%	0.136	24%	0.237	C	C	.	.	H	α-helix	trans	-60.6	-37.6	178.4	-68.6	-25.3	0	0	0	112.7	T208 M220 D221 A222 D228 I234 R237	T208-W224 PolarHBondContact OG1-NE1 3.24Å; M220-W224 HydrophobicContact CG-CD2 4.15Å; M220-W224 HydrophobicContact CG-CH2 4.21Å; M220-W224 HydrophobicContact CG-CZ2 3.6Å; M220-W224 PolarHBondContact O-N 3.39Å; D221-W224 WeakPolarHBondContact OD1-CZ3 3.23Å; A222-W224 PolarHBondContact O-N 3.34Å; W224-D228 VanDerWaalsContact O-CB 3.32Å; W224-D228 WeakPolarHBondContact O-CB 3.44Å; W224-D228 PolarHBondContact O-N 2.97Å; W224-I234 HydrophobicContact CG-CG1 4.42Å; W224-R237 HydrophobicContact CH2-CB 4.3Å; W224-R237 HydrophobicContact CH2-CG 4.17Å; W224-R237 HydrophobicContact CZ2-CB 3.85Å; W224-R237 VanDerWaalsContact CZ2-CD 3.49Å; W224-R237 HydrophobicContact CZ2-CG 3.51Å
225	K	96.5	Very high	94.7	Very high	140 Å²	140	42.4 Å²	42.4	61%	0.609	23%	0.227	S	C	*	.	H	α-helix	trans	-65.3	-42.6	175.6	-70.8	170.1	-175.5	171.6	0	112.1	D221 A222 F223 K229	D221-K225 WeakPolarHBondContact O-CG 3.29Å; D221-K225 PolarHBondContact O-N 3.33Å; A222-K225 PolarHBondContact O-N 3.16Å; F223-K225 VanDerWaalsContact C-N 3.29Å; F223-K225 PolarHBondContact O-N 2.89Å; K225-K229 WeakPolarHBondContact O-CG 3.37Å; K225-K229 PolarHBondContact O-N 3.2Å
226	E	96.4	Very high	95.1	Very high	31 Å²	31	40.7 Å²	40.7	15%	0.145	22%	0.221	C	C	.	.	H	α-helix	trans	-73.1	-35.5	177.7	-63.8	-52.4	134	0	0	112.4	Q192 A195 A222 F223 K229 L230	Q192-E226 HydrophobicContact CB-CG 4.25Å; A195-E226 HydrophobicContact CB-CB 3.6Å; A222-E226 PolarHBondContact O-N 3.49Å; A222-E226 VanDerWaalsContact O-N 3.1Å; F223-E226 PolarHBondContact O-N 3.24Å; E226-K229 PolarHBondContact O-N 3.12Å; E226-K229 IonicContact OE1-NZ 3.7Å; E226-K229 PolarHBondContact OE1-NZ 3.22Å; E226-K229 IonicContact OE2-NZ 3.71Å; E226-K229 PolarHBondContact OE2-NZ 3.13Å; E226-L230 WeakPolarHBondContact O-CG 3.29Å; E226-L230 PolarHBondContact O-N 2.58Å
227	A	96.5	Very high	95.4	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-62.6	-44.4	174.3	0	0	0	0	0	111.6	F223 K229 L230 G231 V232 I234	F223-A227 HydrophobicContact CD1-CB 4.48Å; F223-A227 HydrophobicContact CE1-CB 4.06Å; F223-A227 HydrophobicContact CZ-CB 4.13Å; F223-A227 WeakPolarHBondContact O-CB 3.01Å; F223-A227 PolarHBondContact O-N 3.45Å; A227-K229 PolarHBondContact O-N 3.18Å; A227-L230 CarbonylContact O-C 3.58Å; A227-L230 PolarHBondContact O-N 3.14Å; A227-L230 VanDerWaalsContact O-N 3.11Å; A227-G231 PolarHBondContact O-N 3.26Å; A227-G231 VanDerWaalsContact O-N 3.13Å; A227-V232 HydrophobicContact CB-CB 4.02Å; A227-V232 HydrophobicContact CB-CG1 4.39Å; A227-V232 PolarHBondContact O-N 3.46Å; A227-I234 HydrophobicContact CB-CD1 4.26Å
228	D	94.2	Very high	95.5	Very high	129 Å²	129	47.1 Å²	47.1	69%	0.69	24%	0.242	S	C	*	.	H	α-helix	trans	-61.5	-43.7	177.8	-172.8	61	0	0	0	111.9	W224 L230 G231	W224-D228 VanDerWaalsContact O-CB 3.32Å; W224-D228 WeakPolarHBondContact O-CB 3.44Å; W224-D228 PolarHBondContact O-N 2.97Å; D228-L230 PolarHBondContact O-N 3.5Å; D228-G231 PolarHBondContact O-N 2.93Å
229	K	95.3	Very high	95.6	Very high	147 Å²	147	47.2 Å²	47.2	64%	0.639	24%	0.242	S	C	*	.	H	α-helix	trans	-58.2	-31.4	174.1	-70.1	171.5	-172.3	173.1	0	113.1	K225 E226 A227	K225-K229 WeakPolarHBondContact O-CG 3.37Å; K225-K229 PolarHBondContact O-N 3.2Å; E226-K229 PolarHBondContact O-N 3.12Å; E226-K229 IonicContact OE1-NZ 3.7Å; E226-K229 PolarHBondContact OE1-NZ 3.22Å; E226-K229 IonicContact OE2-NZ 3.71Å; E226-K229 PolarHBondContact OE2-NZ 3.13Å; A227-K229 PolarHBondContact O-N 3.18Å
230	L	95	Very high	95.6	Very high	73 Å²	73	47.3 Å²	47.3	38%	0.382	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	4.7	-179.6	-65.4	173.3	0	0	0	113.2	A195 E226 A227 D228 V232	A195-L230 VanDerWaalsContact C-CD1 3.48Å; A195-L230 HydrophobicContact CB-CD1 3.89Å; A195-L230 WeakPolarHBondContact O-CD1 3.34Å; E226-L230 WeakPolarHBondContact O-CG 3.29Å; E226-L230 PolarHBondContact O-N 2.58Å; A227-L230 CarbonylContact O-C 3.58Å; A227-L230 PolarHBondContact O-N 3.14Å; A227-L230 VanDerWaalsContact O-N 3.11Å; D228-L230 PolarHBondContact O-N 3.5Å; L230-V232 VanDerWaalsContact C-N 3.31Å; L230-V232 HydrophobicContact CB-CG2 4.33Å; L230-V232 PolarHBondContact O-N 3.48Å
231	G	91.4	Very high	95.2	Very high	58 Å²	58	54.8 Å²	54.8	60%	0.598	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	23.3	180	0	0	0	0	0	114.2	A227 D228	A227-G231 PolarHBondContact O-N 3.26Å; A227-G231 VanDerWaalsContact O-N 3.13Å; D228-G231 PolarHBondContact O-N 2.93Å
232	V	94.5	Very high	94.2	Very high	8 Å²	8	54.5 Å²	54.5	5%	0.048	29%	0.286	C	S	.	.			trans	-90	122	177	179	0	0	0	0	109.5	V198 V206 A227 L230	V198-V232 HydrophobicContact CG1-CG1 3.85Å; V198-V232 HydrophobicContact CG1-CG2 4.01Å; V206-V232 HydrophobicContact CG1-CG1 4.05Å; V206-V232 HydrophobicContact CG2-CG1 3.82Å; A227-V232 HydrophobicContact CB-CB 4.02Å; A227-V232 HydrophobicContact CB-CG1 4.39Å; A227-V232 PolarHBondContact O-N 3.46Å; L230-V232 VanDerWaalsContact C-N 3.31Å; L230-V232 HydrophobicContact CB-CG2 4.33Å; L230-V232 PolarHBondContact O-N 3.48Å
233	C	94.1	Very high	93.2	Very high	25 Å²	25	61.9 Å²	61.9	17%	0.169	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	143.2	178.5	-172.8	0	0	0	0	113	T204 Y205 V206 C568	T204-C233 WeakPolarHBondContact O-CB 3.48Å; T204-C233 PolarHBondContact O-N 2.94Å; Y205-C233 WeakPolarHBondContact CA-O 3.28Å; Y205-C233 HydrophobicContact CD2-CB 4.03Å; V206-C233 PolarHBondContact N-O 3.04Å; C233-C568 HydrophobicContact CB-CB 3.47Å; C233-C568 VanDerWaalsContact CB-CB 3.47Å; C233-C568 WeakPolarHBondContact CB-SG 3.37Å; C233-C568 WeakPolarHBondContact SG-CB 3.39Å; C233-C568 CovalentContact SG-SG 1.99Å; C233-C568 PolarHBondContact SG-SG 3.39Å
234	I	95.4	Very high	92.1	Very high	29 Å²	29	63.2 Å²	63.2	15%	0.149	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	113.5	-179.5	-49.5	-56.9	0	0	0	110.1	V206 T208 F223 W224 A227 A236 R237	V206-I234 HydrophobicContact CG2-CD1 3.73Å; V206-I234 CarbonylContact O-C 3.4Å; V206-I234 WeakPolarHBondContact O-CA 3.46Å; T208-I234 HydrophobicContact CG2-CD1 4.03Å; T208-I234 HydrophobicContact CG2-CG2 3.9Å; F223-I234 HydrophobicContact CE1-CD1 3.97Å; W224-I234 HydrophobicContact CG-CG1 4.42Å; A227-I234 HydrophobicContact CB-CD1 4.26Å; I234-A236 WeakPolarHBondContact CG2-O 3.36Å; I234-R237 HydrophobicContact CG2-CG 3.65Å
235	A	94.3	Very high	91.5	Very high	11 Å²	11	62.7 Å²	62.7	9%	0.091	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-56.2	-178.5	0	0	0	0	0	112.3	Y205 V206 F260 A263	Y205-A235 HydrophobicContact CD1-CB 4.12Å; Y205-A235 HydrophobicContact CD2-CB 4.16Å; Y205-A235 HydrophobicContact CE1-CB 3.51Å; Y205-A235 HydrophobicContact CE2-CB 3.57Å; Y205-A235 HydrophobicContact CG-CB 4.42Å; Y205-A235 WeakPolarHBondContact OH-CB 3.32Å; V206-A235 PolarHBondContact O-N 3.39Å; A235-F260 HydrophobicContact CB-CB 4.08Å; A235-F260 HydrophobicContact CB-CD1 4.01Å; A235-F260 HydrophobicContact CB-CG 4.07Å; A235-F260 WeakPolarHBondContact O-CE1 3.25Å; A235-F260 WeakPolarHBondContact O-CZ 3.5Å; A235-A263 HydrophobicContact CB-CB 3.56Å
236	A	95	Very high	91.1	Very high	5 Å²	5	60.1 Å²	60.1	4%	0.041	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	150.4	179.9	0	0	0	0	0	111.1	T208 I234 E238 V255 L256 F260	T208-A236 PolarHBondContact N-O 2.87Å; T208-A236 PolarHBondContact OG1-O 3.46Å; I234-A236 WeakPolarHBondContact CG2-O 3.36Å; A236-E238 HydrophobicContact CB-CG 4.38Å; A236-V255 HydrophobicContact CB-CG1 4.46Å; A236-L256 HydrophobicContact CB-CD2 3.99Å; A236-F260 HydrophobicContact CB-CD2 3.47Å; A236-F260 VanDerWaalsContact CB-CD2 3.47Å; A236-F260 HydrophobicContact CB-CE2 3.63Å; A236-F260 HydrophobicContact CB-CG 4.24Å
237	R	96.3	Very high	90.8	Very high	145 Å²	145	66 Å²	66	55%	0.547	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	74	179.8	-64.7	-176.9	179	179.7	0.9	110.4	W224 I234	W224-R237 HydrophobicContact CH2-CB 4.3Å; W224-R237 HydrophobicContact CH2-CG 4.17Å; W224-R237 HydrophobicContact CZ2-CB 3.85Å; W224-R237 VanDerWaalsContact CZ2-CD 3.49Å; W224-R237 HydrophobicContact CZ2-CG 3.51Å; I234-R237 HydrophobicContact CG2-CG 3.65Å
238	E	96.7	Very high	90.7	Very high	46 Å²	46	69.9 Å²	69.9	22%	0.215	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	152.3	-174.2	-60.6	-53.2	129.9	0	0	112.6	T208 V209 R210 A236 I252 L256	T208-E238 PolarHBondContact O-N 3.3Å; V209-E238 WeakPolarHBondContact CA-O 3.48Å; V209-E238 HydrophobicContact CG1-CB 4.37Å; V209-E238 HydrophobicContact CG2-CB 4.21Å; R210-E238 PolarHBondContact N-O 2.9Å; R210-E238 VanDerWaalsContact N-O 3.08Å; A236-E238 HydrophobicContact CB-CG 4.38Å; E238-I252 HydrophobicContact CB-CG1 4.28Å; E238-I252 HydrophobicContact CB-CG2 3.93Å; E238-I252 HydrophobicContact CG-CG2 4.06Å; E238-L256 HydrophobicContact CG-CD2 4.27Å
239	V	95.7	Very high	90.7	Very high	19 Å²	19	63.9 Å²	63.9	12%	0.115	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	126.5	-176.2	-174.1	0	0	0	0	110.6	R210 A212 R241	R210-V239 HydrophobicContact CG-CG1 4.47Å; R210-V239 HydrophobicContact CG-CG2 4.13Å; R210-V239 WeakPolarHBondContact O-CA 3.44Å; A212-V239 HydrophobicContact CB-CG1 3.82Å; V239-R241 HydrophobicContact CG1-CG 4.24Å
240	I	94.3	Very high	90.7	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	112.5	171.5	-55.9	173.1	0	0	0	108.3	V209 R210 A212 T244 L249 I252 T270 H274 L278	V209-I240 HydrophobicContact CG1-CD1 3.81Å; V209-I240 HydrophobicContact CG1-CG1 3.88Å; R210-I240 PolarHBondContact O-N 3.44Å; A212-I240 PolarHBondContact N-O 3.28Å; I240-T244 HydrophobicContact CG2-CG2 4.47Å; I240-L249 HydrophobicContact CD1-CD2 4Å; I240-L249 HydrophobicContact CG1-CD2 4.04Å; I240-L249 HydrophobicContact CG2-CD2 4.08Å; I240-I252 HydrophobicContact CG1-CD1 3.99Å; I240-T270 HydrophobicContact CD1-CG2 4.33Å; I240-H274 HydrophobicContact CB-CB 4.47Å; I240-H274 HydrophobicContact CD1-CB 4.19Å; I240-H274 HydrophobicContact CG2-CB 4.11Å; I240-H274 PolarHBondContact O-CE1 3.28Å; I240-L278 HydrophobicContact CD1-CB 4.04Å; I240-L278 HydrophobicContact CD1-CD2 4.47Å
241	R	89.2	Confident	90.8	Very high	158 Å²	158	60 Å²	60	60%	0.596	34%	0.338	S	S	*	.			trans	-91.4	156.8	175.6	-62.1	-178.3	172.5	82.3	0.8	110.8	A212 V239 N243 T244	A212-R241 HydrophobicContact CB-CB 4.4Å; A212-R241 HydrophobicContact CB-CG 3.93Å; V239-R241 HydrophobicContact CG1-CG 4.24Å; R241-N243 PolarHBondContact O-N 3.46Å; R241-N243 VanDerWaalsContact O-N 3.16Å; R241-T244 VanDerWaalsContact C-OG1 3.29Å; R241-T244 WeakPolarHBondContact CA-OG1 3.43Å; R241-T244 PolarHBondContact N-OG1 2.85Å; R241-T244 WeakPolarHBondContact O-CB 3.46Å; R241-T244 PolarHBondContact O-N 2.88Å; R241-T244 PolarHBondContact O-OG1 3.35Å
242	G	75.5	Confident	91	Very high	69 Å²	69	57.7 Å²	57.7	71%	0.711	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.9	-179.6	0	0	0	0	0	115
243	N	74.7	Confident	91.1	Very high	168 Å²	168	57.4 Å²	57.4	90%	0.898	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	12.5	177.8	-67.6	8.5	0	0	0	113.7	R241 G245	R241-N243 PolarHBondContact O-N 3.46Å; R241-N243 VanDerWaalsContact O-N 3.16Å; N243-G245 PolarHBondContact O-N 3.28Å
244	T	75.6	Confident	91.3	Very high	27 Å²	27	58.8 Å²	58.8	17%	0.166	32%	0.316	C	S	.	.			trans	-67.5	117	-175.6	-57.5	0	0	0	0	109.6	I240 R241 D248 L249	I240-T244 HydrophobicContact CG2-CG2 4.47Å; R241-T244 VanDerWaalsContact C-OG1 3.29Å; R241-T244 WeakPolarHBondContact CA-OG1 3.43Å; R241-T244 PolarHBondContact N-OG1 2.85Å; R241-T244 WeakPolarHBondContact O-CB 3.46Å; R241-T244 PolarHBondContact O-N 2.88Å; R241-T244 PolarHBondContact O-OG1 3.35Å; T244-D248 HydrophobicContact CG2-CB 3.33Å; T244-L249 HydrophobicContact CG2-CD2 4.07Å; T244-L249 HydrophobicContact CG2-CG 3.83Å
245	G	84.3	Confident	91.3	Very high	25 Å²	25	59 Å²	59	26%	0.258	32%	0.318	S	S	.	.			trans	-73.3	168.7	176.4	0	0	0	0	0	112	N243 E247 D248 L249	N243-G245 PolarHBondContact O-N 3.28Å; G245-E247 PolarHBondContact O-N 3.12Å; G245-D248 PolarHBondContact N-OD2 3.36Å; G245-D248 VanDerWaalsContact N-OD2 3.14Å; G245-D248 PolarHBondContact O-N 2.99Å; G245-L249 PolarHBondContact O-N 3.02Å
246	P	89	Confident	91.4	Very high	87 Å²	87	58.5 Å²	58.5	57%	0.565	31%	0.314	S	S	*	.	H	α-helix	trans	-53.9	-35.8	172.2	-25.9	34.7	0	0	0	113.3	L249 D250 R284	P246-L249 PolarHBondContact O-N 3.27Å; P246-D250 PolarHBondContact O-N 3.45Å; P246-R284 PolarHBondContact O-NH2 3.14Å
247	E	90.5	Very high	91.4	Very high	154 Å²	154	59 Å²	59	72%	0.72	32%	0.318	S	S	*	.	H	α-helix	trans	-65	-40.4	179.1	-63.4	-175.9	179.5	0	0	112.8	G245 L249 D250 N251	G245-E247 PolarHBondContact O-N 3.12Å; E247-L249 VanDerWaalsContact C-N 3.35Å; E247-D250 PolarHBondContact O-N 3.46Å; E247-N251 VanDerWaalsContact O-CG 3.27Å; E247-N251 PolarHBondContact O-N 3.42Å; E247-N251 PolarHBondContact O-ND2 2.88Å
248	D	93.4	Very high	91.3	Very high	82 Å²	82	59 Å²	59	44%	0.439	32%	0.321	S	S	.	.	H	α-helix	trans	-67.2	-38.2	177.7	-65.4	-43.3	0	0	0	111.2	T244 G245 D250 N251 I252	T244-D248 HydrophobicContact CG2-CB 3.33Å; G245-D248 PolarHBondContact N-OD2 3.36Å; G245-D248 VanDerWaalsContact N-OD2 3.14Å; G245-D248 PolarHBondContact O-N 2.99Å; D248-D250 VanDerWaalsContact C-N 3.35Å; D248-N251 WeakPolarHBondContact O-CB 3.46Å; D248-N251 PolarHBondContact O-N 2.88Å; D248-I252 WeakPolarHBondContact O-CG1 3.08Å; D248-I252 PolarHBondContact O-N 3.49Å
249	L	95	Very high	91.1	Very high	4 Å²	4	62.2 Å²	62.2	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-65.3	-39.6	173.6	-67.3	163.3	0	0	0	111.4	I240 T244 G245 P246 E247 N251 I252 V253 L277 A281	I240-L249 HydrophobicContact CD1-CD2 4Å; I240-L249 HydrophobicContact CG1-CD2 4.04Å; I240-L249 HydrophobicContact CG2-CD2 4.08Å; T244-L249 HydrophobicContact CG2-CD2 4.07Å; T244-L249 HydrophobicContact CG2-CG 3.83Å; G245-L249 PolarHBondContact O-N 3.02Å; P246-L249 PolarHBondContact O-N 3.27Å; E247-L249 VanDerWaalsContact C-N 3.35Å; L249-N251 VanDerWaalsContact C-N 3.29Å; L249-N251 PolarHBondContact O-N 2.77Å; L249-I252 WeakPolarHBondContact O-CB 3.19Å; L249-I252 PolarHBondContact O-N 2.97Å; L249-V253 WeakPolarHBondContact O-CG2 3.13Å; L249-V253 PolarHBondContact O-N 2.93Å; L249-L277 HydrophobicContact CD1-CB 3.73Å; L249-A281 HydrophobicContact CB-CB 3.78Å
250	D	95.7	Very high	90.9	Very high	48 Å²	48	63.5 Å²	63.5	26%	0.257	34%	0.344	S	S	.	.	H	α-helix	trans	-65.3	-35.6	175.4	-67	-17.4	0	0	0	111	P246 E247 D248 V253 N254 A281 R284	P246-D250 PolarHBondContact O-N 3.45Å; E247-D250 PolarHBondContact O-N 3.46Å; D248-D250 VanDerWaalsContact C-N 3.35Å; D250-V253 PolarHBondContact O-N 3.45Å; D250-N254 PolarHBondContact O-N 3.49Å; D250-N254 PolarHBondContact O-ND2 3.03Å; D250-N254 VanDerWaalsContact O-ND2 3.09Å; D250-A281 WeakPolarHBondContact OD1-CB 3.16Å; D250-R284 IonicContact OD1-CZ 3.58Å; D250-R284 VanDerWaalsContact OD1-CZ 3.26Å; D250-R284 IonicContact OD1-NE 2.66Å; D250-R284 PolarHBondContact OD1-NE 3.2Å; D250-R284 IonicContact OD1-NH2 3.65Å; D250-R284 PolarHBondContact OD1-NH2 2.94Å; D250-R284 IonicContact OD2-NE 3.45Å; D250-R284 PolarHBondContact OD2-NE 3.38Å; D250-R284 IonicContact OD2-NH2 3.57Å
251	N	95.5	Very high	90.7	Very high	89 Å²	89	66 Å²	66	48%	0.476	37%	0.365	S	S	.	.	H	α-helix	trans	-65.1	-44.7	172.3	-71.4	-28.6	0	0	0	112.1	E247 D248 L249 V253 N254 V255	E247-N251 VanDerWaalsContact O-CG 3.27Å; E247-N251 PolarHBondContact O-N 3.42Å; E247-N251 PolarHBondContact O-ND2 2.88Å; D248-N251 WeakPolarHBondContact O-CB 3.46Å; D248-N251 PolarHBondContact O-N 2.88Å; L249-N251 VanDerWaalsContact C-N 3.29Å; L249-N251 PolarHBondContact O-N 2.77Å; N251-V253 VanDerWaalsContact C-N 3.3Å; N251-V253 PolarHBondContact O-N 3.18Å; N251-N254 WeakPolarHBondContact O-CB 3.48Å; N251-N254 PolarHBondContact O-N 3.14Å; N251-N254 VanDerWaalsContact O-N 3.14Å; N251-V255 WeakPolarHBondContact O-CG2 3.44Å; N251-V255 PolarHBondContact O-N 3.34Å
252	I	96.6	Very high	90.9	Very high	11 Å²	11	64.8 Å²	64.8	6%	0.056	36%	0.364	C	S	.	.	H	α-helix	trans	-54.9	-48.4	173.2	-72	169.1	0	0	0	109.9	E238 I240 D248 L249 N254 V255 L256 L278	E238-I252 HydrophobicContact CB-CG1 4.28Å; E238-I252 HydrophobicContact CB-CG2 3.93Å; E238-I252 HydrophobicContact CG-CG2 4.06Å; I240-I252 HydrophobicContact CG1-CD1 3.99Å; D248-I252 WeakPolarHBondContact O-CG1 3.08Å; D248-I252 PolarHBondContact O-N 3.49Å; L249-I252 WeakPolarHBondContact O-CB 3.19Å; L249-I252 PolarHBondContact O-N 2.97Å; I252-N254 VanDerWaalsContact C-N 3.33Å; I252-N254 PolarHBondContact O-N 3.36Å; I252-V255 PolarHBondContact O-N 3.31Å; I252-L256 HydrophobicContact CG2-CD1 3.86Å; I252-L256 HydrophobicContact CG2-CG 4.36Å; I252-L256 VanDerWaalsContact O-CG 3.23Å; I252-L256 WeakPolarHBondContact O-CG 3.42Å; I252-L256 PolarHBondContact O-N 2.89Å; I252-L278 HydrophobicContact CG2-CD1 4.03Å
253	V	97.2	Very high	91.8	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.006	33%	0.33	C	S	.	.	H	α-helix	trans	-63.1	-38.2	178.5	173.4	0	0	0	0	112.1	L249 D250 N251 L256 S257 L278 A281 V282 A285 L287	L249-V253 WeakPolarHBondContact O-CG2 3.13Å; L249-V253 PolarHBondContact O-N 2.93Å; D250-V253 PolarHBondContact O-N 3.45Å; N251-V253 VanDerWaalsContact C-N 3.3Å; N251-V253 PolarHBondContact O-N 3.18Å; V253-L256 PolarHBondContact O-N 2.92Å; V253-S257 WeakPolarHBondContact O-CB 3.35Å; V253-S257 PolarHBondContact O-N 3.35Å; V253-S257 PolarHBondContact O-OG 3.11Å; V253-L278 HydrophobicContact CG2-CD1 4.1Å; V253-A281 HydrophobicContact CG2-CB 3.7Å; V253-V282 HydrophobicContact CG1-CG2 4.44Å; V253-V282 HydrophobicContact CG2-CG2 3.83Å; V253-A285 HydrophobicContact CG1-CB 3.76Å; V253-L287 HydrophobicContact CG1-CD1 3.51Å
254	N	96.3	Very high	92.8	Very high	55 Å²	55	57 Å²	57	29%	0.294	30%	0.301	S	S	.	.	H	α-helix	trans	-62.8	-45.2	174.2	-80.9	-49.7	0	0	0	112	D250 N251 I252 S257 K258	D250-N254 PolarHBondContact O-N 3.49Å; D250-N254 PolarHBondContact O-ND2 3.03Å; D250-N254 VanDerWaalsContact O-ND2 3.09Å; N251-N254 WeakPolarHBondContact O-CB 3.48Å; N251-N254 PolarHBondContact O-N 3.14Å; N251-N254 VanDerWaalsContact O-N 3.14Å; I252-N254 VanDerWaalsContact C-N 3.33Å; I252-N254 PolarHBondContact O-N 3.36Å; N254-S257 PolarHBondContact O-N 3.38Å; N254-S257 PolarHBondContact O-OG 2.87Å; N254-K258 VanDerWaalsContact O-CB 3.26Å; N254-K258 WeakPolarHBondContact O-CB 3.5Å; N254-K258 PolarHBondContact O-N 2.98Å; N254-K258 WeakPolarHBondContact OD1-CE 3.24Å; N254-K258 PolarHBondContact OD1-NZ 2.89Å
255	V	95.9	Very high	93.8	Very high	33 Å²	33	55.7 Å²	55.7	20%	0.2	29%	0.293	C	S	.	.	I	π-helix	trans	-60.7	-48.2	176.8	171.8	0	0	0	0	110.5	A236 N251 I252 S257 D259 F260	A236-V255 HydrophobicContact CB-CG1 4.46Å; N251-V255 WeakPolarHBondContact O-CG2 3.44Å; N251-V255 PolarHBondContact O-N 3.34Å; I252-V255 PolarHBondContact O-N 3.31Å; V255-S257 VanDerWaalsContact C-N 3.34Å; V255-S257 PolarHBondContact O-N 3.38Å; V255-D259 HydrophobicContact CG1-CB 4.49Å; V255-D259 WeakPolarHBondContact O-CB 3.44Å; V255-D259 PolarHBondContact O-N 3.28Å; V255-F260 HydrophobicContact CG1-CD2 3.79Å; V255-F260 HydrophobicContact CG1-CE2 3.63Å; V255-F260 WeakPolarHBondContact O-CD2 3.5Å; V255-F260 PolarHBondContact O-N 3.17Å
256	L	96.8	Very high	94.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.281	C	S	.	.	I	π-helix	trans	-61.9	-39.8	-179.7	-66	174.1	0	0	0	112.8	V209 A236 E238 I252 V253 F260 V266 F291	V209-L256 HydrophobicContact CG2-CD1 3.83Å; V209-L256 HydrophobicContact CG2-CD2 4.38Å; A236-L256 HydrophobicContact CB-CD2 3.99Å; E238-L256 HydrophobicContact CG-CD2 4.27Å; I252-L256 HydrophobicContact CG2-CD1 3.86Å; I252-L256 HydrophobicContact CG2-CG 4.36Å; I252-L256 VanDerWaalsContact O-CG 3.23Å; I252-L256 WeakPolarHBondContact O-CG 3.42Å; I252-L256 PolarHBondContact O-N 2.89Å; V253-L256 PolarHBondContact O-N 2.92Å; L256-F260 CarbonylContact O-C 3.44Å; L256-V266 HydrophobicContact CD1-CG1 4.29Å; L256-V266 HydrophobicContact CD2-CG1 4.44Å; L256-F291 HydrophobicContact CB-CE1 3.91Å; L256-F291 HydrophobicContact CB-CZ 3.74Å
257	S	95.3	Very high	94.9	Very high	17 Å²	17	50.4 Å²	50.4	12%	0.119	25%	0.254	C	S	.	.	I	π-helix	trans	-90.1	-34.7	-173.8	58.6	0	0	0	0	114.6	V253 N254 V255 A261	V253-S257 WeakPolarHBondContact O-CB 3.35Å; V253-S257 PolarHBondContact O-N 3.35Å; V253-S257 PolarHBondContact O-OG 3.11Å; N254-S257 PolarHBondContact O-N 3.38Å; N254-S257 PolarHBondContact O-OG 2.87Å; V255-S257 VanDerWaalsContact C-N 3.34Å; V255-S257 PolarHBondContact O-N 3.38Å; S257-A261 WeakPolarHBondContact O-CA 3.21Å; S257-A261 VanDerWaalsContact O-CB 3.27Å; S257-A261 WeakPolarHBondContact O-CB 3.22Å
258	K	93.5	Very high	95.3	Very high	143 Å²	143	43.1 Å²	43.1	62%	0.622	22%	0.22	S	C	*	.	I	π-helix	trans	-99	-55.1	-174.5	-64.6	173.8	176.1	160.2	0	111.7	N254 F260	N254-K258 VanDerWaalsContact O-CB 3.26Å; N254-K258 WeakPolarHBondContact O-CB 3.5Å; N254-K258 PolarHBondContact O-N 2.98Å; N254-K258 WeakPolarHBondContact OD1-CE 3.24Å; N254-K258 PolarHBondContact OD1-NZ 2.89Å; K258-F260 VanDerWaalsContact C-N 3.33Å; K258-F260 PolarHBondContact O-N 2.89Å
259	D	92.2	Very high	95.5	Very high	115 Å²	115	39.2 Å²	39.2	62%	0.615	20%	0.199	S	C	*	.	I	π-helix	trans	-71.7	-33.7	-174.4	-60.4	-16.4	0	0	0	111.2	V255	V255-D259 HydrophobicContact CG1-CB 4.49Å; V255-D259 WeakPolarHBondContact O-CB 3.44Å; V255-D259 PolarHBondContact O-N 3.28Å
260	F	92.5	Very high	95.4	Very high	46 Å²	46	39 Å²	39	20%	0.202	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.7	41.5	-179.6	-55	-67.1	0	0	0	113.2	A235 A236 V255 L256 K258 K262 A263	A235-F260 HydrophobicContact CB-CB 4.08Å; A235-F260 HydrophobicContact CB-CD1 4.01Å; A235-F260 HydrophobicContact CB-CG 4.07Å; A235-F260 WeakPolarHBondContact O-CE1 3.25Å; A235-F260 WeakPolarHBondContact O-CZ 3.5Å; A236-F260 HydrophobicContact CB-CD2 3.47Å; A236-F260 VanDerWaalsContact CB-CD2 3.47Å; A236-F260 HydrophobicContact CB-CE2 3.63Å; A236-F260 HydrophobicContact CB-CG 4.24Å; V255-F260 HydrophobicContact CG1-CD2 3.79Å; V255-F260 HydrophobicContact CG1-CE2 3.63Å; V255-F260 WeakPolarHBondContact O-CD2 3.5Å; V255-F260 PolarHBondContact O-N 3.17Å; L256-F260 CarbonylContact O-C 3.44Å; K258-F260 VanDerWaalsContact C-N 3.33Å; K258-F260 PolarHBondContact O-N 2.89Å; F260-K262 PolarHBondContact O-N 3.29Å; F260-A263 HydrophobicContact CB-CB 4.24Å; F260-A263 WeakPolarHBondContact O-CB 3.34Å; F260-A263 PolarHBondContact O-N 3.47Å
261	A	91.1	Very high	95	Very high	53 Å²	53	37.5 Å²	37.5	44%	0.438	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-25.4	-176.7	0	0	0	0	0	115.6	S257	S257-A261 WeakPolarHBondContact O-CA 3.21Å; S257-A261 VanDerWaalsContact O-CB 3.27Å; S257-A261 WeakPolarHBondContact O-CB 3.22Å
262	K	91.9	Very high	94.7	Very high	133 Å²	133	34.6 Å²	34.6	58%	0.578	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-22.2	175.7	-68.6	-174.9	175.2	180	0	113.5	Y205 F260 R264 C550	Y205-K262 HydrophobicContact CD1-CB 4.35Å; Y205-K262 HydrophobicContact CE1-CB 4.24Å; F260-K262 PolarHBondContact O-N 3.29Å; K262-R264 VanDerWaalsContact C-N 3.32Å; K262-R264 PolarHBondContact O-N 3.49Å; K262-R264 VanDerWaalsContact O-N 3.1Å; K262-C550 VanDerWaalsContact CD-O 3.27Å; K262-C550 WeakPolarHBondContact CD-O 3.27Å; K262-C550 PolarHBondContact NZ-O 2.97Å
263	A	94.8	Very high	94.2	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.008	20%	0.198	C	C	.	.			trans	-83.7	74.1	176.2	0	0	0	0	0	110.2	Y205 S207 A235 F260 V265	Y205-A263 HydrophobicContact CD1-CB 3.62Å; Y205-A263 HydrophobicContact CE1-CB 3.65Å; S207-A263 WeakPolarHBondContact OG-CB 2.97Å; A235-A263 HydrophobicContact CB-CB 3.56Å; F260-A263 HydrophobicContact CB-CB 4.24Å; F260-A263 WeakPolarHBondContact O-CB 3.34Å; F260-A263 PolarHBondContact O-N 3.47Å; A263-V265 PolarHBondContact O-N 3.3Å
264	R	95.1	Very high	94	Very high	73 Å²	73	39.5 Å²	39.5	28%	0.275	20%	0.203	S	C	.	.			trans	-66.9	-26.7	179.5	-69	-157.5	63.9	-162.9	-5.1	113.4	K262 N289 H290 F291 V292 S548	K262-R264 VanDerWaalsContact C-N 3.32Å; K262-R264 PolarHBondContact O-N 3.49Å; K262-R264 VanDerWaalsContact O-N 3.1Å; R264-N289 PolarHBondContact NH2-O 2.69Å; R264-H290 PolarHBondContact NE-O 3.18Å; R264-H290 PolarHBondContact NH2-O 2.83Å; R264-F291 CarbonylContact O-C 3.53Å; R264-F291 WeakPolarHBondContact O-CA 3.27Å; R264-V292 PolarHBondContact O-N 3.37Å; R264-S548 PolarHBondContact N-OG 2.95Å
265	V	97.5	Very high	93.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	126.9	179.6	176	0	0	0	0	109.4	W203 V206 S207 A263 V267 V292 I294 S548	W203-V265 HydrophobicContact CB-CG2 4.34Å; W203-V265 HydrophobicContact CD2-CB 4.48Å; W203-V265 HydrophobicContact CD2-CG1 4.47Å; W203-V265 HydrophobicContact CD2-CG2 3.4Å; W203-V265 VanDerWaalsContact CD2-CG2 3.4Å; W203-V265 HydrophobicContact CE3-CG1 4.02Å; W203-V265 HydrophobicContact CE3-CG2 3.74Å; W203-V265 HydrophobicContact CG-CG2 3.67Å; W203-V265 HydrophobicContact CH2-CG2 4.47Å; W203-V265 HydrophobicContact CZ2-CG2 4.15Å; W203-V265 HydrophobicContact CZ3-CG1 4.43Å; W203-V265 HydrophobicContact CZ3-CG2 4.29Å; V206-V265 WeakPolarHBondContact CA-O 3.48Å; V206-V265 HydrophobicContact CB-CB 4.4Å; V206-V265 HydrophobicContact CB-CG1 4.27Å; V206-V265 HydrophobicContact CG1-CB 3.89Å; V206-V265 HydrophobicContact CG1-CG1 3.74Å; S207-V265 PolarHBondContact N-O 2.95Å; A263-V265 PolarHBondContact O-N 3.3Å; V265-V267 HydrophobicContact CG1-CG2 4.46Å; V265-V292 WeakPolarHBondContact CA-O 3.45Å; V265-V292 HydrophobicContact CG2-CB 4.08Å; V265-V292 HydrophobicContact CG2-CG1 4.45Å; V265-I294 HydrophobicContact CG1-CG1 3.8Å; V265-S548 PolarHBondContact N-OG 3.4Å; V265-S548 VanDerWaalsContact N-OG 3.15Å
266	V	98.3	Very high	93.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	118.3	178.1	-170.3	0	0	0	0	109.4	S207 V209 L256 L268 F291 V292 W293 I294	S207-V266 CarbonylContact O-C 3.56Å; S207-V266 WeakPolarHBondContact O-CA 3.39Å; V209-V266 HydrophobicContact CG2-CG1 3.71Å; L256-V266 HydrophobicContact CD1-CG1 4.29Å; L256-V266 HydrophobicContact CD2-CG1 4.44Å; V266-L268 HydrophobicContact CG1-CD2 3.92Å; V266-F291 HydrophobicContact CG2-CB 4.26Å; V266-F291 HydrophobicContact CG2-CD1 3.43Å; V266-F291 VanDerWaalsContact CG2-CD1 3.43Å; V266-F291 HydrophobicContact CG2-CE1 3.95Å; V266-F291 HydrophobicContact CG2-CG 4.01Å; V266-V292 PolarHBondContact N-O 2.89Å; V266-W293 HydrophobicContact CB-CE3 3.71Å; V266-W293 HydrophobicContact CB-CZ3 3.63Å; V266-W293 HydrophobicContact CG1-CE3 4.1Å; V266-W293 HydrophobicContact CG1-CZ3 3.72Å; V266-W293 HydrophobicContact CG2-CE3 4.42Å; V266-W293 HydrophobicContact CG2-CZ3 4.04Å; V266-W293 WeakPolarHBondContact O-CA 3.5Å; V266-I294 PolarHBondContact O-N 3.45Å
267	V	98.5	Very high	93.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	125.7	-179.3	-174.5	0	0	0	0	109.4	M194 V198 V206 S207 T208 V209 F223 V265 I294	M194-V267 HydrophobicContact CE-CG1 3.48Å; M194-V267 VanDerWaalsContact CE-CG1 3.48Å; V198-V267 HydrophobicContact CG2-CG2 4.19Å; V206-V267 HydrophobicContact CB-CG2 4.19Å; V206-V267 HydrophobicContact CG2-CG2 4.08Å; S207-V267 PolarHBondContact O-N 3.48Å; T208-V267 WeakPolarHBondContact CA-O 3.26Å; T208-V267 HydrophobicContact CG2-CB 4.22Å; V209-V267 PolarHBondContact N-O 3.37Å; F223-V267 HydrophobicContact CD1-CG1 4.25Å; F223-V267 HydrophobicContact CD2-CG1 4.16Å; F223-V267 HydrophobicContact CE1-CB 4.18Å; F223-V267 HydrophobicContact CE1-CG1 4.01Å; F223-V267 HydrophobicContact CE1-CG2 4.06Å; F223-V267 HydrophobicContact CE2-CG1 3.89Å; F223-V267 HydrophobicContact CE2-CG2 4.31Å; F223-V267 HydrophobicContact CG-CG1 4.34Å; F223-V267 HydrophobicContact CZ-CB 4.14Å; F223-V267 HydrophobicContact CZ-CG1 3.85Å; F223-V267 HydrophobicContact CZ-CG2 3.66Å; V265-V267 HydrophobicContact CG1-CG2 4.46Å; V267-I294 CarbonylContact C-O 3.55Å; V267-I294 VanDerWaalsContact CA-O 3.32Å; V267-I294 WeakPolarHBondContact CA-O 3.44Å; V267-I294 HydrophobicContact CG2-CB 4.24Å
268	L	98.3	Very high	93.7	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	121	-174	-54.4	-176.5	0	0	0	110.9	V209 V266 T275 L278 W293 I294 A295 S296 W299	V209-L268 HydrophobicContact CB-CD2 3.69Å; V209-L268 HydrophobicContact CG2-CD2 3.98Å; V209-L268 WeakPolarHBondContact O-CA 3.47Å; V266-L268 HydrophobicContact CG1-CD2 3.92Å; L268-T275 HydrophobicContact CD1-CG2 4.23Å; L268-L278 HydrophobicContact CD1-CD2 4.41Å; L268-L278 HydrophobicContact CD2-CD2 3.7Å; L268-W293 HydrophobicContact CD1-CD2 4.4Å; L268-W293 HydrophobicContact CD1-CE3 3.76Å; L268-W293 HydrophobicContact CD1-CZ3 4.4Å; L268-W293 HydrophobicContact CD2-CE3 4.02Å; L268-W293 HydrophobicContact CD2-CZ3 4.1Å; L268-W293 HydrophobicContact CG-CE3 4.04Å; L268-I294 PolarHBondContact N-O 3.46Å; L268-A295 HydrophobicContact CB-CB 4.16Å; L268-A295 HydrophobicContact CD1-CB 4.4Å; L268-S296 PolarHBondContact O-N 3.03Å; L268-W299 HydrophobicContact CD1-CE3 4.17Å; L268-W299 HydrophobicContact CD1-CZ3 4.06Å
269	F	96.9	Very high	93.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	67.9	165.1	-122.4	-70.6	0	0	0	108.3	D187 Q190 M194 V209 R210 S211 Y215 G216 G219 M220	D187-F269 HydrophobicContact CB-CE1 4.39Å; D187-F269 HydrophobicContact CB-CZ 4.12Å; Q190-F269 HydrophobicContact CB-CZ 4.36Å; Q190-F269 HydrophobicContact CG-CZ 4.16Å; M194-F269 HydrophobicContact CE-CD2 4.48Å; M194-F269 HydrophobicContact SD-CD2 4.13Å; M194-F269 HydrophobicContact SD-CE2 3.79Å; V209-F269 PolarHBondContact O-N 3.41Å; R210-F269 WeakPolarHBondContact CA-O 3.34Å; R210-F269 HydrophobicContact CB-CB 4.35Å; S211-F269 PolarHBondContact N-O 3.49Å; Y215-F269 HydrophobicContact CD2-CE1 4.32Å; Y215-F269 HydrophobicContact CE1-CD1 4.04Å; Y215-F269 HydrophobicContact CE2-CD1 4.03Å; Y215-F269 AromaticContact CE2-CE1 3.69Å; Y215-F269 HydrophobicContact CE2-CE1 3.69Å; Y215-F269 AromaticContact CZ-CD1 3.76Å; Y215-F269 AromaticContact CZ-CE1 3.8Å; G216-F269 WeakPolarHBondContact CA-O 3.21Å; G219-F269 VanDerWaalsContact C-CE2 3.44Å; G219-F269 VanDerWaalsContact CA-CZ 3.44Å; G219-F269 VanDerWaalsContact O-CE2 3.3Å; G219-F269 WeakPolarHBondContact O-CE2 3.46Å; M220-F269 HydrophobicContact CB-CB 4.36Å; M220-F269 HydrophobicContact CE-CB 3.66Å; M220-F269 HydrophobicContact CE-CD2 4.49Å
270	T	93.9	Very high	94.1	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	15%	0.151	C	C	.	.			trans	-126.6	151.1	-170.2	48.3	0	0	0	0	111.5	V209 S211 I240 H274 T275 G298	V209-T270 HydrophobicContact CG1-CG2 4.42Å; S211-T270 WeakPolarHBondContact OG-CA 3.24Å; I240-T270 HydrophobicContact CD1-CG2 4.33Å; T270-H274 HydrophobicContact CG2-CB 4.49Å; T270-T275 PolarHBondContact OG1-OG1 3.47Å; T270-G298 WeakPolarHBondContact O-CA 3.39Å
271	G	87.9	Confident	94.3	Very high	16 Å²	16	27.2 Å²	27.2	17%	0.165	14%	0.142	C	C	.	.			trans	-68.9	164.1	166.7	0	0	0	0	0	112.2	S211 D273 H274 T275	S211-G271 PolarHBondContact OG-N 2.95Å; S211-G271 VanDerWaalsContact OG-N 3.15Å; G271-D273 VanDerWaalsContact C-N 3.28Å; G271-D273 PolarHBondContact O-N 2.91Å; G271-H274 PolarHBondContact O-N 3.29Å; G271-T275 WeakPolarHBondContact O-CB 3.34Å; G271-T275 PolarHBondContact O-N 2.9Å; G271-T275 PolarHBondContact O-OG1 2.98Å
272	M	88	Confident	94.5	Very high	27 Å²	27	24.8 Å²	24.8	13%	0.133	12%	0.121	C	C	.	.	H	α-helix	trans	-57.6	-40.3	-178.8	-61.6	-176.8	-59.2	0	0	113	R64 T275 K276 G298 E302 V304 P305	R64-M272 VanDerWaalsContact CZ-CE 3.42Å; R64-M272 VanDerWaalsContact NH2-CE 3.3Å; R64-M272 PolarHBondContact NH2-SD 3.07Å; R64-M272 VanDerWaalsContact NH2-SD 3.37Å; M272-T275 PolarHBondContact O-N 3.01Å; M272-K276 WeakPolarHBondContact O-CB 3.45Å; M272-K276 PolarHBondContact O-N 3.14Å; M272-G298 WeakPolarHBondContact CG-O 3.36Å; M272-G298 PolarHBondContact N-O 3.08Å; M272-E302 HydrophobicContact CG-CB 4.12Å; M272-E302 HydrophobicContact CG-CG 4.1Å; M272-E302 HydrophobicContact SD-CB 3.45Å; M272-E302 WeakPolarHBondContact SD-CB 3.29Å; M272-E302 HydrophobicContact SD-CG 3.28Å; M272-E302 WeakPolarHBondContact SD-CG 3.32Å; M272-V304 HydrophobicContact CB-CB 4.5Å; M272-V304 HydrophobicContact CB-CG1 4.48Å; M272-P305 HydrophobicContact CB-CG 4.03Å; M272-P305 HydrophobicContact CG-CG 4.36Å
273	D	87	Confident	94.7	Very high	92 Å²	92	23.9 Å²	23.9	49%	0.492	11%	0.114	S	C	.	.	H	α-helix	trans	-64.5	-51.5	178.6	59.4	-37.6	0	0	0	111.7	G271 T275 K276 L277	G271-D273 VanDerWaalsContact C-N 3.28Å; G271-D273 PolarHBondContact O-N 2.91Å; D273-T275 VanDerWaalsContact C-N 3.29Å; D273-T275 PolarHBondContact O-N 2.92Å; D273-K276 WeakPolarHBondContact O-CB 3.25Å; D273-K276 PolarHBondContact O-N 2.71Å; D273-L277 WeakPolarHBondContact O-CG 3.38Å; D273-L277 PolarHBondContact O-N 2.94Å
274	H	92.2	Very high	94.8	Very high	24 Å²	24	29.6 Å²	29.6	11%	0.111	14%	0.135	C	C	.	.	H	α-helix	trans	-64.7	-36	176.3	-73.8	-165.7	0	0	0	111.7	S211 I240 T270 G271 L277 L278	S211-H274 WeakPolarHBondContact CB-ND1 3.37Å; S211-H274 PolarHBondContact OG-ND1 3.41Å; I240-H274 HydrophobicContact CB-CB 4.47Å; I240-H274 HydrophobicContact CD1-CB 4.19Å; I240-H274 HydrophobicContact CG2-CB 4.11Å; I240-H274 PolarHBondContact O-CE1 3.28Å; T270-H274 HydrophobicContact CG2-CB 4.49Å; G271-H274 PolarHBondContact O-N 3.29Å; H274-L277 PolarHBondContact O-N 3.32Å; H274-L278 WeakPolarHBondContact O-CB 3.37Å; H274-L278 PolarHBondContact O-N 2.97Å
275	T	94.9	Very high	94.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64	-44.5	175.2	-52.9	0	0	0	0	111	L268 T270 G271 M272 D273 L277 L278 L279 W299 P305	L268-T275 HydrophobicContact CD1-CG2 4.23Å; T270-T275 PolarHBondContact OG1-OG1 3.47Å; G271-T275 WeakPolarHBondContact O-CB 3.34Å; G271-T275 PolarHBondContact O-N 2.9Å; G271-T275 PolarHBondContact O-OG1 2.98Å; M272-T275 PolarHBondContact O-N 3.01Å; D273-T275 VanDerWaalsContact C-N 3.29Å; D273-T275 PolarHBondContact O-N 2.92Å; T275-L277 PolarHBondContact O-N 2.93Å; T275-L278 PolarHBondContact O-N 3.11Å; T275-L279 HydrophobicContact CG2-CD1 4.21Å; T275-L279 WeakPolarHBondContact O-CG 3.5Å; T275-L279 PolarHBondContact O-N 3.42Å; T275-W299 HydrophobicContact CG2-CD2 3.88Å; T275-W299 HydrophobicContact CG2-CE3 3.28Å; T275-W299 HydrophobicContact CG2-CZ3 3.66Å; T275-P305 HydrophobicContact CG2-CB 3.74Å; T275-P305 HydrophobicContact CG2-CG 4.3Å
276	K	94.1	Very high	94.7	Very high	35 Å²	35	31.2 Å²	31.2	15%	0.152	17%	0.17	C	C	.	.	H	α-helix	trans	-57.8	-49.4	175.3	176.5	56.7	170.4	105.9	0	111.5	M272 D273 L278 L279 D280 V304 P305 S307 N309	M272-K276 WeakPolarHBondContact O-CB 3.45Å; M272-K276 PolarHBondContact O-N 3.14Å; D273-K276 WeakPolarHBondContact O-CB 3.25Å; D273-K276 PolarHBondContact O-N 2.71Å; K276-L278 VanDerWaalsContact C-N 3.34Å; K276-L278 PolarHBondContact O-N 3.24Å; K276-L279 PolarHBondContact O-N 2.87Å; K276-D280 IonicContact NZ-OD1 2.92Å; K276-D280 PolarHBondContact NZ-OD1 3.38Å; K276-D280 IonicContact NZ-OD2 3.26Å; K276-D280 PolarHBondContact NZ-OD2 3.27Å; K276-D280 PolarHBondContact O-N 2.84Å; K276-V304 WeakPolarHBondContact CD-O 3.27Å; K276-P305 WeakPolarHBondContact CD-O 3.39Å; K276-S307 WeakPolarHBondContact CE-O 3.5Å; K276-S307 PolarHBondContact NZ-O 2.96Å; K276-S307 VanDerWaalsContact NZ-O 3.08Å; K276-N309 PolarHBondContact NZ-ND2 3.28Å
277	L	93.7	Very high	94.4	Very high	76 Å²	76	33 Å²	33	40%	0.398	18%	0.179	S	C	.	.	H	α-helix	trans	-62.1	-40	179.7	-69.9	176.9	0	0	0	112.5	L249 D273 H274 T275 D280 A281	L249-L277 HydrophobicContact CD1-CB 3.73Å; D273-L277 WeakPolarHBondContact O-CG 3.38Å; D273-L277 PolarHBondContact O-N 2.94Å; H274-L277 PolarHBondContact O-N 3.32Å; T275-L277 PolarHBondContact O-N 2.93Å; L277-D280 PolarHBondContact O-N 3.16Å; L277-A281 PolarHBondContact O-N 2.93Å; L277-A281 VanDerWaalsContact O-N 3.1Å
278	L	96.4	Very high	94.1	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-63.9	-46.6	174.3	-179.9	63.8	0	0	0	111.5	V209 I240 I252 V253 L268 H274 T275 K276 D280 A281 V282 W293	V209-L278 HydrophobicContact CB-CD2 4.4Å; V209-L278 HydrophobicContact CG1-CD2 4.17Å; V209-L278 HydrophobicContact CG2-CD2 4.33Å; I240-L278 HydrophobicContact CD1-CB 4.04Å; I240-L278 HydrophobicContact CD1-CD2 4.47Å; I252-L278 HydrophobicContact CG2-CD1 4.03Å; V253-L278 HydrophobicContact CG2-CD1 4.1Å; L268-L278 HydrophobicContact CD1-CD2 4.41Å; L268-L278 HydrophobicContact CD2-CD2 3.7Å; H274-L278 WeakPolarHBondContact O-CB 3.37Å; H274-L278 PolarHBondContact O-N 2.97Å; T275-L278 PolarHBondContact O-N 3.11Å; K276-L278 VanDerWaalsContact C-N 3.34Å; K276-L278 PolarHBondContact O-N 3.24Å; L278-D280 VanDerWaalsContact C-N 3.28Å; L278-D280 PolarHBondContact O-N 3.47Å; L278-A281 WeakPolarHBondContact O-CB 3.28Å; L278-A281 PolarHBondContact O-N 3.43Å; L278-A281 VanDerWaalsContact O-N 3.11Å; L278-V282 WeakPolarHBondContact O-CG2 3.3Å; L278-V282 PolarHBondContact O-N 3.1Å; L278-W293 HydrophobicContact CD2-CZ3 4.12Å
279	L	97	Very high	93.7	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-64.6	-33.1	177.5	-70.2	173.1	0	0	0	112.2	T275 K276 A281 V282 R283 W293 W299 P305 N309 E312 A313	T275-L279 HydrophobicContact CG2-CD1 4.21Å; T275-L279 WeakPolarHBondContact O-CG 3.5Å; T275-L279 PolarHBondContact O-N 3.42Å; K276-L279 PolarHBondContact O-N 2.87Å; L279-A281 VanDerWaalsContact C-N 3.34Å; L279-V282 PolarHBondContact O-N 3.49Å; L279-R283 WeakPolarHBondContact O-CB 3.36Å; L279-R283 PolarHBondContact O-N 3.45Å; L279-W293 HydrophobicContact CD2-CZ2 4.1Å; L279-W299 HydrophobicContact CD1-CH2 3.72Å; L279-W299 HydrophobicContact CD1-CZ2 4.27Å; L279-W299 HydrophobicContact CD1-CZ3 4.1Å; L279-W299 HydrophobicContact CD2-CH2 4.47Å; L279-P305 HydrophobicContact CD1-CB 4.32Å; L279-P305 VanDerWaalsContact CD1-O 3.25Å; L279-P305 WeakPolarHBondContact CD1-O 3.25Å; L279-N309 HydrophobicContact CB-CB 3.84Å; L279-N309 WeakPolarHBondContact CB-ND2 3.46Å; L279-N309 HydrophobicContact CD1-CB 4.42Å; L279-E312 HydrophobicContact CD2-CB 4.41Å; L279-A313 HydrophobicContact CD1-CB 4.22Å
280	D	95.9	Very high	93.5	Very high	38 Å²	38	41.3 Å²	41.3	20%	0.203	22%	0.224	C	C	.	.	H	α-helix	trans	-62.9	-40	171.4	-76.3	-32.8	0	0	0	111.9	K276 L277 L278 R283 R284 N309	K276-D280 IonicContact NZ-OD1 2.92Å; K276-D280 PolarHBondContact NZ-OD1 3.38Å; K276-D280 IonicContact NZ-OD2 3.26Å; K276-D280 PolarHBondContact NZ-OD2 3.27Å; K276-D280 PolarHBondContact O-N 2.84Å; L277-D280 PolarHBondContact O-N 3.16Å; L278-D280 VanDerWaalsContact C-N 3.28Å; L278-D280 PolarHBondContact O-N 3.47Å; D280-R283 PolarHBondContact O-N 3.35Å; D280-R284 WeakPolarHBondContact O-CG 3.26Å; D280-R284 PolarHBondContact O-N 2.79Å; D280-N309 PolarHBondContact N-ND2 3.4Å; D280-N309 PolarHBondContact OD1-ND2 2.89Å; D280-N309 PolarHBondContact OD1-OD1 3.43Å
281	A	96.2	Very high	93.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.4	-41	174.3	0	0	0	0	0	112	L249 D250 V253 L277 L278 L279 R283 R284 A285	L249-A281 HydrophobicContact CB-CB 3.78Å; D250-A281 WeakPolarHBondContact OD1-CB 3.16Å; V253-A281 HydrophobicContact CG2-CB 3.7Å; L277-A281 PolarHBondContact O-N 2.93Å; L277-A281 VanDerWaalsContact O-N 3.1Å; L278-A281 WeakPolarHBondContact O-CB 3.28Å; L278-A281 PolarHBondContact O-N 3.43Å; L278-A281 VanDerWaalsContact O-N 3.11Å; L279-A281 VanDerWaalsContact C-N 3.34Å; A281-R283 VanDerWaalsContact C-N 3.31Å; A281-R283 PolarHBondContact O-N 3.41Å; A281-R284 PolarHBondContact O-N 3.44Å; A281-A285 WeakPolarHBondContact O-CB 3.48Å; A281-A285 PolarHBondContact O-N 3.25Å
282	V	97.1	Very high	94	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-61.4	-41.5	174.5	174.8	0	0	0	0	111.1	V253 L278 L279 A285 G286 L287 F291 W293 E312	V253-V282 HydrophobicContact CG1-CG2 4.44Å; V253-V282 HydrophobicContact CG2-CG2 3.83Å; L278-V282 WeakPolarHBondContact O-CG2 3.3Å; L278-V282 PolarHBondContact O-N 3.1Å; L279-V282 PolarHBondContact O-N 3.49Å; V282-A285 PolarHBondContact O-N 3.19Å; V282-G286 PolarHBondContact O-N 2.88Å; V282-L287 HydrophobicContact CG1-CB 4.04Å; V282-L287 PolarHBondContact O-N 3.34Å; V282-F291 HydrophobicContact CG1-CD2 4.38Å; V282-F291 HydrophobicContact CG2-CD2 4.44Å; V282-F291 HydrophobicContact CG2-CE2 4.39Å; V282-W293 HydrophobicContact CG1-CZ2 4.29Å; V282-W293 HydrophobicContact CG2-CH2 3.78Å; V282-W293 HydrophobicContact CG2-CZ2 3.75Å; V282-E312 HydrophobicContact CG1-CB 4.07Å; V282-E312 HydrophobicContact CG1-CG 4.08Å
283	R	96.1	Very high	94.4	Very high	115 Å²	115	39.5 Å²	39.5	43%	0.434	21%	0.211	S	C	.	.	H	α-helix	trans	-63.1	-45.7	174.8	-179.9	176.3	166.5	-172.3	-6	111.6	L279 D280 A281 A285 G286 N308 N309 E312	L279-R283 WeakPolarHBondContact O-CB 3.36Å; L279-R283 PolarHBondContact O-N 3.45Å; D280-R283 PolarHBondContact O-N 3.35Å; A281-R283 VanDerWaalsContact C-N 3.31Å; A281-R283 PolarHBondContact O-N 3.41Å; R283-A285 VanDerWaalsContact C-N 3.28Å; R283-A285 PolarHBondContact O-N 3.02Å; R283-G286 PolarHBondContact O-N 3.36Å; R283-G286 VanDerWaalsContact O-N 3.08Å; R283-N308 PolarHBondContact NH1-O 3.4Å; R283-N309 WeakPolarHBondContact CD-OD1 3.47Å; R283-E312 HydrophobicContact CB-CG 3.85Å
284	R	95.6	Very high	95	Very high	120 Å²	120	35.1 Å²	35.1	45%	0.453	19%	0.187	S	C	.	.	H	α-helix	trans	-60.4	-37.7	175.7	-74.1	-168.4	-57.2	-86.9	6.6	112.2	P246 D250 D280 A281 G286	P246-R284 PolarHBondContact O-NH2 3.14Å; D250-R284 IonicContact OD1-CZ 3.58Å; D250-R284 VanDerWaalsContact OD1-CZ 3.26Å; D250-R284 IonicContact OD1-NE 2.66Å; D250-R284 PolarHBondContact OD1-NE 3.2Å; D250-R284 IonicContact OD1-NH2 3.65Å; D250-R284 PolarHBondContact OD1-NH2 2.94Å; D250-R284 IonicContact OD2-NE 3.45Å; D250-R284 PolarHBondContact OD2-NE 3.38Å; D250-R284 IonicContact OD2-NH2 3.57Å; D280-R284 WeakPolarHBondContact O-CG 3.26Å; D280-R284 PolarHBondContact O-N 2.79Å; A281-R284 PolarHBondContact O-N 3.44Å; R284-G286 PolarHBondContact O-N 3.42Å
285	A	95.6	Very high	95.2	Very high	51 Å²	51	34 Å²	34	42%	0.421	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-8.3	176.4	0	0	0	0	0	114	V253 A281 V282 R283 L287	V253-A285 HydrophobicContact CG1-CB 3.76Å; A281-A285 WeakPolarHBondContact O-CB 3.48Å; A281-A285 PolarHBondContact O-N 3.25Å; V282-A285 PolarHBondContact O-N 3.19Å; R283-A285 VanDerWaalsContact C-N 3.28Å; R283-A285 PolarHBondContact O-N 3.02Å; A285-L287 VanDerWaalsContact C-N 3.3Å; A285-L287 HydrophobicContact CB-CD1 3.98Å; A285-L287 HydrophobicContact CB-CG 4.01Å; A285-L287 PolarHBondContact O-N 3.11Å
286	G	94.6	Very high	95.3	Very high	56 Å²	56	34 Å²	34	58%	0.577	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.2	21.3	179.9	0	0	0	0	0	114.6	V282 R283 R284 V288	V282-G286 PolarHBondContact O-N 2.88Å; R283-G286 PolarHBondContact O-N 3.36Å; R283-G286 VanDerWaalsContact O-N 3.08Å; R284-G286 PolarHBondContact O-N 3.42Å; G286-V288 VanDerWaalsContact C-N 3.26Å; G286-V288 PolarHBondContact O-N 3.35Å; G286-V288 VanDerWaalsContact O-N 3.07Å
287	L	93.5	Very high	95.3	Very high	38 Å²	38	33 Å²	33	20%	0.199	18%	0.179	C	C	.	.			trans	-87.7	49.2	-173.3	-67.6	174.4	0	0	0	113.3	V253 V282 A285 H290 F291	V253-L287 HydrophobicContact CG1-CD1 3.51Å; V282-L287 HydrophobicContact CG1-CB 4.04Å; V282-L287 PolarHBondContact O-N 3.34Å; A285-L287 VanDerWaalsContact C-N 3.3Å; A285-L287 HydrophobicContact CB-CD1 3.98Å; A285-L287 HydrophobicContact CB-CG 4.01Å; A285-L287 PolarHBondContact O-N 3.11Å; L287-H290 HydrophobicContact CB-CB 4.05Å; L287-H290 HydrophobicContact CD2-CB 4.47Å; L287-H290 WeakPolarHBondContact O-CB 3.49Å; L287-H290 PolarHBondContact O-N 3.19Å; L287-F291 HydrophobicContact CD1-CE2 3.87Å; L287-F291 HydrophobicContact CD1-CZ 4.3Å
288	V	91.4	Very high	95.1	Very high	60 Å²	60	29.7 Å²	29.7	36%	0.364	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	137.6	178	-177.2	0	0	0	0	110.4	G286 H290 R311	G286-V288 VanDerWaalsContact C-N 3.26Å; G286-V288 PolarHBondContact O-N 3.35Å; G286-V288 VanDerWaalsContact O-N 3.07Å; V288-H290 PolarHBondContact O-N 3.45Å; V288-H290 VanDerWaalsContact O-N 3.12Å; V288-R311 HydrophobicContact CG1-CB 4.12Å
289	N	90.2	Very high	95	Very high	62 Å²	62	29.7 Å²	29.7	33%	0.332	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	12.8	-178	-58.9	-47	0	0	0	116.1	R264 P538 G539	R264-N289 PolarHBondContact NH2-O 2.69Å; N289-P538 HydrophobicContact CB-CB 4Å; N289-P538 WeakPolarHBondContact O-CB 3.26Å; N289-G539 PolarHBondContact OD1-N 2.77Å
290	H	92.5	Very high	94.8	Very high	53 Å²	53	29.8 Å²	29.8	25%	0.245	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-51.6	-176.4	-175.2	79.1	0	0	0	112.3	R264 L287 V288	R264-H290 PolarHBondContact NE-O 3.18Å; R264-H290 PolarHBondContact NH2-O 2.83Å; L287-H290 HydrophobicContact CB-CB 4.05Å; L287-H290 HydrophobicContact CD2-CB 4.47Å; L287-H290 WeakPolarHBondContact O-CB 3.49Å; L287-H290 PolarHBondContact O-N 3.19Å; V288-H290 PolarHBondContact O-N 3.45Å; V288-H290 VanDerWaalsContact O-N 3.12Å
291	F	95.9	Very high	94.6	Very high	5 Å²	5	31.4 Å²	31.4	2%	0.022	17%	0.167	C	C	.	.			trans	-93.3	151.5	-176.6	-61.8	-66	0	0	0	112.9	L256 R264 V266 V282 L287 W293 P538	L256-F291 HydrophobicContact CB-CE1 3.91Å; L256-F291 HydrophobicContact CB-CZ 3.74Å; R264-F291 CarbonylContact O-C 3.53Å; R264-F291 WeakPolarHBondContact O-CA 3.27Å; V266-F291 HydrophobicContact CG2-CB 4.26Å; V266-F291 HydrophobicContact CG2-CD1 3.43Å; V266-F291 VanDerWaalsContact CG2-CD1 3.43Å; V266-F291 HydrophobicContact CG2-CE1 3.95Å; V266-F291 HydrophobicContact CG2-CG 4.01Å; V282-F291 HydrophobicContact CG1-CD2 4.38Å; V282-F291 HydrophobicContact CG2-CD2 4.44Å; V282-F291 HydrophobicContact CG2-CE2 4.39Å; L287-F291 HydrophobicContact CD1-CE2 3.87Å; L287-F291 HydrophobicContact CD1-CZ 4.3Å; F291-W293 HydrophobicContact CB-CD2 4.19Å; F291-W293 HydrophobicContact CB-CH2 3.95Å; F291-W293 HydrophobicContact CB-CZ2 3.57Å; F291-W293 HydrophobicContact CB-CZ3 4.41Å; F291-W293 AromaticContact CD2-CH2 3.6Å; F291-W293 HydrophobicContact CD2-CH2 3.6Å; F291-W293 AromaticContact CD2-CZ2 3.51Å; F291-W293 HydrophobicContact CD2-CZ2 3.51Å; F291-W293 HydrophobicContact CE2-CH2 4.27Å; F291-W293 HydrophobicContact CE2-CZ2 4.48Å; F291-W293 AromaticContact CG-CH2 3.88Å; F291-W293 HydrophobicContact CG-CH2 3.88Å; F291-W293 AromaticContact CG-CZ2 3.84Å; F291-W293 HydrophobicContact CG-CZ2 3.84Å; F291-P538 WeakPolarHBondContact O-CG 3.28Å
292	V	95.9	Very high	94.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	113.4	164.4	-179.3	0	0	0	0	107.2	W203 R264 V265 V266 I294 W537 P538 P546	W203-V292 HydrophobicContact CH2-CG1 3.95Å; W203-V292 HydrophobicContact CZ2-CG1 4.22Å; R264-V292 PolarHBondContact O-N 3.37Å; V265-V292 WeakPolarHBondContact CA-O 3.45Å; V265-V292 HydrophobicContact CG2-CB 4.08Å; V265-V292 HydrophobicContact CG2-CG1 4.45Å; V266-V292 PolarHBondContact N-O 2.89Å; V292-I294 HydrophobicContact CG1-CD1 4.45Å; V292-W537 HydrophobicContact CG1-CE3 4.42Å; V292-W537 HydrophobicContact CG1-CZ3 4.29Å; V292-P538 HydrophobicContact CG2-CG 3.82Å; V292-P546 HydrophobicContact CG2-CB 3.77Å; V292-P546 HydrophobicContact CG2-CG 3.57Å
293	W	97.6	Very high	93.8	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	130.1	-178.2	-51.9	105.5	0	0	0	110.8	V266 L268 L278 L279 V282 F291 W299 E312 A316 L317	V266-W293 HydrophobicContact CB-CE3 3.71Å; V266-W293 HydrophobicContact CB-CZ3 3.63Å; V266-W293 HydrophobicContact CG1-CE3 4.1Å; V266-W293 HydrophobicContact CG1-CZ3 3.72Å; V266-W293 HydrophobicContact CG2-CE3 4.42Å; V266-W293 HydrophobicContact CG2-CZ3 4.04Å; V266-W293 WeakPolarHBondContact O-CA 3.5Å; L268-W293 HydrophobicContact CD1-CD2 4.4Å; L268-W293 HydrophobicContact CD1-CE3 3.76Å; L268-W293 HydrophobicContact CD1-CZ3 4.4Å; L268-W293 HydrophobicContact CD2-CE3 4.02Å; L268-W293 HydrophobicContact CD2-CZ3 4.1Å; L268-W293 HydrophobicContact CG-CE3 4.04Å; L278-W293 HydrophobicContact CD2-CZ3 4.12Å; L279-W293 HydrophobicContact CD2-CZ2 4.1Å; V282-W293 HydrophobicContact CG1-CZ2 4.29Å; V282-W293 HydrophobicContact CG2-CH2 3.78Å; V282-W293 HydrophobicContact CG2-CZ2 3.75Å; F291-W293 HydrophobicContact CB-CD2 4.19Å; F291-W293 HydrophobicContact CB-CH2 3.95Å; F291-W293 HydrophobicContact CB-CZ2 3.57Å; F291-W293 HydrophobicContact CB-CZ3 4.41Å; F291-W293 AromaticContact CD2-CH2 3.6Å; F291-W293 HydrophobicContact CD2-CH2 3.6Å; F291-W293 AromaticContact CD2-CZ2 3.51Å; F291-W293 HydrophobicContact CD2-CZ2 3.51Å; F291-W293 HydrophobicContact CE2-CH2 4.27Å; F291-W293 HydrophobicContact CE2-CZ2 4.48Å; F291-W293 AromaticContact CG-CH2 3.88Å; F291-W293 HydrophobicContact CG-CH2 3.88Å; F291-W293 AromaticContact CG-CZ2 3.84Å; F291-W293 HydrophobicContact CG-CZ2 3.84Å; W293-W299 HydrophobicContact CB-CZ3 4.25Å; W293-W299 HydrophobicContact CG-CZ3 4.44Å; W293-E312 PolarHBondContact NE1-O 3.39Å; W293-A316 HydrophobicContact CB-CB 3.79Å; W293-A316 HydrophobicContact CG-CB 4.4Å; W293-A316 CarbonylContact O-C 3.6Å; W293-A316 WeakPolarHBondContact O-CA 3.25Å; W293-L317 PolarHBondContact O-N 3.25Å
294	I	97.9	Very high	93.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	105	167	-52.8	-58.9	0	0	0	107.4	M194 L197 V198 W203 V265 V266 V267 L268 V292 L317	M194-I294 HydrophobicContact CB-CG2 4.47Å; M194-I294 HydrophobicContact CE-CG2 4.1Å; L197-I294 HydrophobicContact CD2-CD1 4.39Å; L197-I294 HydrophobicContact CD2-CG2 4.19Å; V198-I294 HydrophobicContact CG2-CG1 4.28Å; W203-I294 HydrophobicContact CH2-CD1 4.28Å; W203-I294 HydrophobicContact CZ3-CD1 3.75Å; W203-I294 HydrophobicContact CZ3-CG1 4.31Å; V265-I294 HydrophobicContact CG1-CG1 3.8Å; V266-I294 PolarHBondContact O-N 3.45Å; V267-I294 CarbonylContact C-O 3.55Å; V267-I294 VanDerWaalsContact CA-O 3.32Å; V267-I294 WeakPolarHBondContact CA-O 3.44Å; V267-I294 HydrophobicContact CG2-CB 4.24Å; L268-I294 PolarHBondContact N-O 3.46Å; V292-I294 HydrophobicContact CG1-CD1 4.45Å; I294-L317 CarbonylContact C-O 3.46Å; I294-L317 VanDerWaalsContact CA-O 3.28Å; I294-L317 WeakPolarHBondContact CA-O 3.24Å; I294-L317 HydrophobicContact CD1-CB 3.75Å; I294-L317 HydrophobicContact CD1-CD1 3.84Å; I294-L317 HydrophobicContact CD1-CG 4.13Å
295	A	97.6	Very high	93.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	144.1	-171.5	0	0	0	0	0	112.9	L268 W299 L317 T318 I319	L268-A295 HydrophobicContact CB-CB 4.16Å; L268-A295 HydrophobicContact CD1-CB 4.4Å; A295-W299 HydrophobicContact CB-CB 3.75Å; A295-W299 HydrophobicContact CB-CD2 4.02Å; A295-W299 HydrophobicContact CB-CE3 3.49Å; A295-W299 VanDerWaalsContact CB-CE3 3.49Å; A295-W299 HydrophobicContact CB-CG 4.19Å; A295-W299 HydrophobicContact CB-CZ3 4.35Å; A295-L317 PolarHBondContact N-O 3.29Å; A295-T318 HydrophobicContact CB-CG2 4.09Å; A295-T318 WeakPolarHBondContact O-CA 3.24Å; A295-I319 WeakPolarHBondContact O-CG1 3.43Å; A295-I319 PolarHBondContact O-N 3.47Å
296	S	96.3	Very high	93.2	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.007	16%	0.164	C	C	.	.			trans	-67.6	179.6	173	67.8	0	0	0	0	112.7	Y215 L268 G298 W299 G300 I319	Y215-S296 WeakPolarHBondContact OH-CB 3.43Å; Y215-S296 PolarHBondContact OH-OG 3.12Å; L268-S296 PolarHBondContact O-N 3.03Å; S296-G298 PolarHBondContact O-N 3.35Å; S296-G298 VanDerWaalsContact O-N 3.11Å; S296-G298 PolarHBondContact OG-N 3.27Å; S296-W299 PolarHBondContact O-N 3.2Å; S296-G300 PolarHBondContact O-N 3.45Å; S296-I319 CarbonylContact C-O 3.53Å
297	D	93.4	Very high	93	Very high	14 Å²	14	28.7 Å²	28.7	8%	0.075	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-12.1	174.2	78.9	-40.8	0	0	0	113.4	Q190 Y215 W299 I319 I321 K424	Q190-D297 PolarHBondContact NE2-OD1 3.46Å; Y215-D297 PolarHBondContact OH-OD1 3.34Å; D297-W299 PolarHBondContact O-N 3.22Å; D297-I319 WeakPolarHBondContact CA-O 3.45Å; D297-I319 PolarHBondContact N-O 2.87Å; D297-I321 HydrophobicContact CB-CG1 4.38Å; D297-K424 IonicContact OD2-NZ 2.77Å; D297-K424 PolarHBondContact OD2-NZ 2.68Å
298	G	90.3	Very high	92.9	Very high	7 Å²	7	32.5 Å²	32.5	7%	0.072	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-24.6	168.6	0	0	0	0	0	112.8	Y215 T270 M272 S296	Y215-G298 PolarHBondContact OH-N 3.22Å; Y215-G298 VanDerWaalsContact OH-N 3.09Å; T270-G298 WeakPolarHBondContact O-CA 3.39Å; M272-G298 WeakPolarHBondContact CG-O 3.36Å; M272-G298 PolarHBondContact N-O 3.08Å; S296-G298 PolarHBondContact O-N 3.35Å; S296-G298 VanDerWaalsContact O-N 3.11Å; S296-G298 PolarHBondContact OG-N 3.27Å
299	W	94	Very high	93.1	Very high	1 Å²	1	29.7 Å²	29.7	0%	0.004	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-56.1	165.1	-173.5	-26.8	0	0	0	110.5	L268 T275 L279 W293 A295 S296 D297 R301 E302 P305 V306 A313 A316 T318 Y518	L268-W299 HydrophobicContact CD1-CE3 4.17Å; L268-W299 HydrophobicContact CD1-CZ3 4.06Å; T275-W299 HydrophobicContact CG2-CD2 3.88Å; T275-W299 HydrophobicContact CG2-CE3 3.28Å; T275-W299 HydrophobicContact CG2-CZ3 3.66Å; L279-W299 HydrophobicContact CD1-CH2 3.72Å; L279-W299 HydrophobicContact CD1-CZ2 4.27Å; L279-W299 HydrophobicContact CD1-CZ3 4.1Å; L279-W299 HydrophobicContact CD2-CH2 4.47Å; W293-W299 HydrophobicContact CB-CZ3 4.25Å; W293-W299 HydrophobicContact CG-CZ3 4.44Å; A295-W299 HydrophobicContact CB-CB 3.75Å; A295-W299 HydrophobicContact CB-CD2 4.02Å; A295-W299 HydrophobicContact CB-CE3 3.49Å; A295-W299 VanDerWaalsContact CB-CE3 3.49Å; A295-W299 HydrophobicContact CB-CG 4.19Å; A295-W299 HydrophobicContact CB-CZ3 4.35Å; S296-W299 PolarHBondContact O-N 3.2Å; D297-W299 PolarHBondContact O-N 3.22Å; W299-R301 PolarHBondContact O-N 3.01Å; W299-E302 WeakPolarHBondContact O-CB 3.4Å; W299-E302 WeakPolarHBondContact O-CG 3.32Å; W299-E302 PolarHBondContact O-N 2.98Å; W299-P305 HydrophobicContact CD2-CB 4.12Å; W299-P305 HydrophobicContact CD2-CG 4.43Å; W299-P305 HydrophobicContact CG-CB 4.32Å; W299-P305 HydrophobicContact CG-CG 4.11Å; W299-P305 HydrophobicContact CZ2-CB 4.48Å; W299-V306 HydrophobicContact CH2-CG1 4.45Å; W299-V306 HydrophobicContact CZ2-CG1 3.4Å; W299-V306 VanDerWaalsContact CZ2-CG1 3.4Å; W299-A313 HydrophobicContact CH2-CB 3.72Å; W299-A313 HydrophobicContact CZ2-CB 3.79Å; W299-A316 HydrophobicContact CH2-CB 3.93Å; W299-A316 HydrophobicContact CZ2-CB 4.26Å; W299-A316 HydrophobicContact CZ3-CB 4.47Å; W299-T318 HydrophobicContact CB-CG2 4.38Å; W299-T318 HydrophobicContact CD2-CG2 3.72Å; W299-T318 HydrophobicContact CE3-CG2 4.27Å; W299-T318 HydrophobicContact CG-CG2 3.76Å; W299-T318 HydrophobicContact CZ2-CG2 4.4Å; W299-Y518 AromaticContact NE1-CE1 3.84Å; W299-Y518 AromaticContact NE1-CZ 3.79Å; W299-Y518 PolarHBondContact NE1-OH 3.49Å
300	G	92.6	Very high	93.3	Very high	2 Å²	2	28.3 Å²	28.3	2%	0.021	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	-124.1	-176.8	0	0	0	0	0	112.2	S296 T318	S296-G300 PolarHBondContact O-N 3.45Å; G300-T318 WeakPolarHBondContact O-CB 3.47Å; G300-T318 PolarHBondContact O-OG1 2.83Å
301	R	91.7	Very high	93.4	Very high	73 Å²	73	32.7 Å²	32.7	28%	0.275	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	22.1	175.5	-68.7	179.4	29.5	178.6	-8.9	114.7	W299 E320 Y505 Y518	W299-R301 PolarHBondContact O-N 3.01Å; R301-E320 WeakPolarHBondContact CB-OE1 3.44Å; R301-E320 WeakPolarHBondContact CD-OE2 3.12Å; R301-E320 PolarHBondContact N-OE1 3.47Å; R301-Y505 HydrophobicContact CG-CD1 4.16Å; R301-Y505 HydrophobicContact CG-CD2 3.66Å; R301-Y505 HydrophobicContact CG-CE1 4.36Å; R301-Y505 HydrophobicContact CG-CE2 3.85Å; R301-Y505 HydrophobicContact CG-CG 3.8Å; R301-Y505 PolarHBondContact NH1-OH 3.45Å; R301-Y518 HydrophobicContact CB-CD1 4.46Å; R301-Y518 HydrophobicContact CB-CD2 4.1Å; R301-Y518 HydrophobicContact CB-CE2 4.39Å; R301-Y518 HydrophobicContact CB-CG 4.14Å; R301-Y518 HydrophobicContact CG-CD1 4.16Å; R301-Y518 HydrophobicContact CG-CD2 4.42Å; R301-Y518 HydrophobicContact CG-CG 3.96Å; R301-Y518 WeakPolarHBondContact O-CE2 3.37Å
302	E	88.6	Confident	93.4	Very high	29 Å²	29	33 Å²	33	14%	0.136	17%	0.171	C	C	.	.			trans	-72.2	140.8	-172.8	-60.4	-78.4	-161	0	0	111.3	R64 M272 W299 P305 Y518	R64-E302 IonicContact NH2-OE1 3.75Å; M272-E302 HydrophobicContact CG-CB 4.12Å; M272-E302 HydrophobicContact CG-CG 4.1Å; M272-E302 HydrophobicContact SD-CB 3.45Å; M272-E302 WeakPolarHBondContact SD-CB 3.29Å; M272-E302 HydrophobicContact SD-CG 3.28Å; M272-E302 WeakPolarHBondContact SD-CG 3.32Å; W299-E302 WeakPolarHBondContact O-CB 3.4Å; W299-E302 WeakPolarHBondContact O-CG 3.32Å; W299-E302 PolarHBondContact O-N 2.98Å; E302-P305 WeakPolarHBondContact O-CD 3.36Å; E302-Y518 PolarHBondContact O-OH 3.11Å
303	N	87.7	Confident	93.4	Very high	116 Å²	116	33 Å²	33	62%	0.62	17%	0.171	S	C	*	.	S	Bend	trans	-82.7	-21	-179.4	-73.5	-37.6	0	0	0	112.9	V306 S307	N303-V306 VanDerWaalsContact O-CG2 3.28Å; N303-V306 WeakPolarHBondContact O-CG2 3.22Å; N303-V306 PolarHBondContact O-N 3.34Å; N303-S307 PolarHBondContact O-N 3.49Å
304	V	88.4	Confident	93.2	Very high	75 Å²	75	33.4 Å²	33.4	46%	0.455	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-50.9	-177	175	0	0	0	0	112.1	M272 K276 V306 S307	M272-V304 HydrophobicContact CB-CB 4.5Å; M272-V304 HydrophobicContact CB-CG1 4.48Å; K276-V304 WeakPolarHBondContact CD-O 3.27Å; V304-V306 VanDerWaalsContact C-N 3.3Å; V304-V306 PolarHBondContact O-N 3.21Å; V304-S307 WeakPolarHBondContact O-CB 3.44Å; V304-S307 PolarHBondContact O-N 3.28Å
305	P	92.4	Very high	93	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-38.9	179.8	-26.5	36.7	0	0	0	114.3	M272 T275 K276 L279 W299 E302	M272-P305 HydrophobicContact CB-CG 4.03Å; M272-P305 HydrophobicContact CG-CG 4.36Å; T275-P305 HydrophobicContact CG2-CB 3.74Å; T275-P305 HydrophobicContact CG2-CG 4.3Å; K276-P305 WeakPolarHBondContact CD-O 3.39Å; L279-P305 HydrophobicContact CD1-CB 4.32Å; L279-P305 VanDerWaalsContact CD1-O 3.25Å; L279-P305 WeakPolarHBondContact CD1-O 3.25Å; W299-P305 HydrophobicContact CD2-CB 4.12Å; W299-P305 HydrophobicContact CD2-CG 4.43Å; W299-P305 HydrophobicContact CG-CB 4.32Å; W299-P305 HydrophobicContact CG-CG 4.11Å; W299-P305 HydrophobicContact CZ2-CB 4.48Å; E302-P305 WeakPolarHBondContact O-CD 3.36Å
306	V	93.8	Very high	93	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.03	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-10.4	-173.4	-61.3	0	0	0	0	113.6	W299 N303 V304 N308 N309 S310 A313 Y507	W299-V306 HydrophobicContact CH2-CG1 4.45Å; W299-V306 HydrophobicContact CZ2-CG1 3.4Å; W299-V306 VanDerWaalsContact CZ2-CG1 3.4Å; N303-V306 VanDerWaalsContact O-CG2 3.28Å; N303-V306 WeakPolarHBondContact O-CG2 3.22Å; N303-V306 PolarHBondContact O-N 3.34Å; V304-V306 VanDerWaalsContact C-N 3.3Å; V304-V306 PolarHBondContact O-N 3.21Å; V306-N308 PolarHBondContact O-N 3.1Å; V306-N308 VanDerWaalsContact O-N 3.16Å; V306-N309 CarbonylContact O-C 3.53Å; V306-N309 PolarHBondContact O-N 3Å; V306-S310 PolarHBondContact O-N 3.37Å; V306-S310 PolarHBondContact O-OG 2.71Å; V306-A313 HydrophobicContact CB-CB 4.48Å; V306-A313 HydrophobicContact CG1-CB 3.69Å; V306-Y507 HydrophobicContact CB-CE1 4.08Å; V306-Y507 HydrophobicContact CB-CE2 4.1Å; V306-Y507 HydrophobicContact CG1-CD1 4.1Å; V306-Y507 HydrophobicContact CG1-CD2 4.24Å; V306-Y507 HydrophobicContact CG1-CE1 3.84Å; V306-Y507 HydrophobicContact CG1-CE2 3.97Å; V306-Y507 HydrophobicContact CG1-CG 4.27Å; V306-Y507 HydrophobicContact CG2-CE2 3.88Å
307	S	90.9	Very high	93.1	Very high	60 Å²	60	33.3 Å²	33.3	42%	0.42	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	121	176.4	-177.3	0	0	0	0	109.9	K276 N303 V304 N309	K276-S307 WeakPolarHBondContact CE-O 3.5Å; K276-S307 PolarHBondContact NZ-O 2.96Å; K276-S307 VanDerWaalsContact NZ-O 3.08Å; N303-S307 PolarHBondContact O-N 3.49Å; V304-S307 WeakPolarHBondContact O-CB 3.44Å; V304-S307 PolarHBondContact O-N 3.28Å; S307-N309 PolarHBondContact O-N 3.32Å; S307-N309 VanDerWaalsContact O-N 3.11Å
308	N	92.3	Very high	93.2	Very high	119 Å²	119	32.7 Å²	32.7	64%	0.636	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.9	3.8	-173.5	-60.7	-35.6	0	0	0	116.7	R283 V306	R283-N308 PolarHBondContact NH1-O 3.4Å; V306-N308 PolarHBondContact O-N 3.1Å; V306-N308 VanDerWaalsContact O-N 3.16Å
309	N	95.5	Very high	93.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.166	C	C	.	.			trans	-128.7	24.1	-177.2	-66.7	-29.8	0	0	0	113.1	K276 L279 D280 R283 V306 S307 R311 E312 A313	K276-N309 PolarHBondContact NZ-ND2 3.28Å; L279-N309 HydrophobicContact CB-CB 3.84Å; L279-N309 WeakPolarHBondContact CB-ND2 3.46Å; L279-N309 HydrophobicContact CD1-CB 4.42Å; D280-N309 PolarHBondContact N-ND2 3.4Å; D280-N309 PolarHBondContact OD1-ND2 2.89Å; D280-N309 PolarHBondContact OD1-OD1 3.43Å; R283-N309 WeakPolarHBondContact CD-OD1 3.47Å; V306-N309 CarbonylContact O-C 3.53Å; V306-N309 PolarHBondContact O-N 3Å; S307-N309 PolarHBondContact O-N 3.32Å; S307-N309 VanDerWaalsContact O-N 3.11Å; N309-R311 PolarHBondContact O-N 3.37Å; N309-E312 VanDerWaalsContact C-OE2 3.28Å; N309-E312 VanDerWaalsContact CA-OE2 3.27Å; N309-E312 WeakPolarHBondContact CA-OE2 3.3Å; N309-E312 PolarHBondContact O-N 2.96Å; N309-A313 WeakPolarHBondContact O-CB 3.41Å; N309-A313 PolarHBondContact O-N 2.88Å
310	S	94.7	Very high	93.5	Very high	34 Å²	34	33.8 Å²	33.8	24%	0.238	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-30.4	-176.9	-54.3	0	0	0	0	113.5	V306 N314 Y507 Y516	V306-S310 PolarHBondContact O-N 3.37Å; V306-S310 PolarHBondContact O-OG 2.71Å; S310-N314 PolarHBondContact O-N 3.09Å; S310-N314 VanDerWaalsContact O-N 3.17Å; S310-Y507 VanDerWaalsContact CB-OH 3.31Å; S310-Y507 WeakPolarHBondContact CB-OH 3.46Å; S310-Y507 PolarHBondContact OG-OH 2.92Å; S310-Y516 WeakPolarHBondContact O-CE1 3.47Å
311	R	94	Very high	93.6	Very high	145 Å²	145	33.8 Å²	33.8	55%	0.547	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-37.2	179.3	-68.7	-169.7	-66.9	-146.2	-1.4	111.7	V288 N309 N314	V288-R311 HydrophobicContact CG1-CB 4.12Å; N309-R311 PolarHBondContact O-N 3.37Å; R311-N314 WeakPolarHBondContact O-CB 3Å
312	E	95.2	Very high	93.6	Very high	10 Å²	10	33.9 Å²	33.9	5%	0.047	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-32.5	179.8	-63.4	72.4	-158.6	0	0	111.4	L279 V282 R283 W293 N309 N314	L279-E312 HydrophobicContact CD2-CB 4.41Å; V282-E312 HydrophobicContact CG1-CB 4.07Å; V282-E312 HydrophobicContact CG1-CG 4.08Å; R283-E312 HydrophobicContact CB-CG 3.85Å; W293-E312 PolarHBondContact NE1-O 3.39Å; N309-E312 VanDerWaalsContact C-OE2 3.28Å; N309-E312 VanDerWaalsContact CA-OE2 3.27Å; N309-E312 WeakPolarHBondContact CA-OE2 3.3Å; N309-E312 PolarHBondContact O-N 2.96Å; E312-N314 VanDerWaalsContact C-N 3.34Å
313	A	95.7	Very high	93.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-80.8	-9.8	173.5	0	0	0	0	0	114.1	L279 W299 V306 N309 G315 A316 Y507	L279-A313 HydrophobicContact CD1-CB 4.22Å; W299-A313 HydrophobicContact CH2-CB 3.72Å; W299-A313 HydrophobicContact CZ2-CB 3.79Å; V306-A313 HydrophobicContact CB-CB 4.48Å; V306-A313 HydrophobicContact CG1-CB 3.69Å; N309-A313 WeakPolarHBondContact O-CB 3.41Å; N309-A313 PolarHBondContact O-N 2.88Å; A313-G315 PolarHBondContact O-N 2.87Å; A313-A316 WeakPolarHBondContact O-CB 3.48Å; A313-A316 PolarHBondContact O-N 2.83Å; A313-Y507 HydrophobicContact CB-CD1 3.76Å; A313-Y507 HydrophobicContact CB-CE1 3.86Å
314	N	94.8	Very high	93.6	Very high	10 Å²	10	33.9 Å²	33.9	5%	0.053	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	123.8	-174.8	-175.1	49.2	0	0	0	112.1	S310 R311 E312 A508 R509 Y516	S310-N314 PolarHBondContact O-N 3.09Å; S310-N314 VanDerWaalsContact O-N 3.17Å; R311-N314 WeakPolarHBondContact O-CB 3Å; E312-N314 VanDerWaalsContact C-N 3.34Å; N314-A508 WeakPolarHBondContact OD1-CA 3.37Å; N314-R509 PolarHBondContact OD1-N 3.41Å; N314-Y516 HydrophobicContact CB-CE1 3.9Å
315	G	94.2	Very high	93.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.8	5.8	-177.3	0	0	0	0	0	114.7	A313 Y507 I536	A313-G315 PolarHBondContact O-N 2.87Å; G315-Y507 PolarHBondContact N-O 2.71Å; G315-I536 VanDerWaalsContact CA-O 3.24Å; G315-I536 WeakPolarHBondContact CA-O 3.48Å
316	A	96.9	Very high	93.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	143.5	172.2	0	0	0	0	0	111.4	W293 W299 A313 T318 N506 Y507	W293-A316 HydrophobicContact CB-CB 3.79Å; W293-A316 HydrophobicContact CG-CB 4.4Å; W293-A316 CarbonylContact O-C 3.6Å; W293-A316 WeakPolarHBondContact O-CA 3.25Å; W299-A316 HydrophobicContact CH2-CB 3.93Å; W299-A316 HydrophobicContact CZ2-CB 4.26Å; W299-A316 HydrophobicContact CZ3-CB 4.47Å; A313-A316 WeakPolarHBondContact O-CB 3.48Å; A313-A316 PolarHBondContact O-N 2.83Å; A316-T318 HydrophobicContact CB-CG2 4.41Å; A316-N506 CarbonylContact O-C 3.58Å; A316-N506 VanDerWaalsContact O-CA 3.26Å; A316-N506 WeakPolarHBondContact O-CA 3.19Å; A316-N506 PolarHBondContact O-ND2 3.35Å; A316-Y507 PolarHBondContact O-N 2.92Å
317	L	97.4	Very high	93.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	118.5	163.4	-60.3	177.1	0	0	0	108.2	L197 W203 W293 I294 A295 Y505 N506 V521 P535 W537	L197-L317 HydrophobicContact CD1-CD1 4.26Å; L197-L317 HydrophobicContact CD2-CB 4.15Å; L197-L317 HydrophobicContact CD2-CD1 4.07Å; L197-L317 HydrophobicContact CG-CD1 4.33Å; W203-L317 HydrophobicContact CH2-CD1 4.44Å; W293-L317 PolarHBondContact O-N 3.25Å; I294-L317 CarbonylContact C-O 3.46Å; I294-L317 VanDerWaalsContact CA-O 3.28Å; I294-L317 WeakPolarHBondContact CA-O 3.24Å; I294-L317 HydrophobicContact CD1-CB 3.75Å; I294-L317 HydrophobicContact CD1-CD1 3.84Å; I294-L317 HydrophobicContact CD1-CG 4.13Å; A295-L317 PolarHBondContact N-O 3.29Å; L317-Y505 CarbonylContact C-O 3.59Å; L317-Y505 VanDerWaalsContact CA-O 3.25Å; L317-Y505 WeakPolarHBondContact CA-O 3.41Å; L317-N506 HydrophobicContact CD2-CB 3.77Å; L317-V521 HydrophobicContact CD2-CG2 4.02Å; L317-P535 HydrophobicContact CD1-CG 4.32Å; L317-P535 HydrophobicContact CD2-CB 3.93Å; L317-P535 HydrophobicContact CD2-CG 3.85Å; L317-W537 HydrophobicContact CD1-CH2 4.24Å; L317-W537 HydrophobicContact CD1-CZ3 4.09Å
318	T	96.8	Very high	93.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	142.4	178.4	67.7	0	0	0	0	108.4	A295 W299 G300 A316 Y505	A295-T318 HydrophobicContact CB-CG2 4.09Å; A295-T318 WeakPolarHBondContact O-CA 3.24Å; W299-T318 HydrophobicContact CB-CG2 4.38Å; W299-T318 HydrophobicContact CD2-CG2 3.72Å; W299-T318 HydrophobicContact CE3-CG2 4.27Å; W299-T318 HydrophobicContact CG-CG2 3.76Å; W299-T318 HydrophobicContact CZ2-CG2 4.4Å; G300-T318 WeakPolarHBondContact O-CB 3.47Å; G300-T318 PolarHBondContact O-OG1 2.83Å; A316-T318 HydrophobicContact CB-CG2 4.41Å; T318-Y505 PolarHBondContact N-O 3.43Å; T318-Y505 PolarHBondContact O-N 2.9Å
319	I	95.8	Very high	94.1	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	143	173.8	64.9	169.9	0	0	0	109.7	Q190 A193 M194 A295 S296 D297 Y502 S503 I504	Q190-I319 HydrophobicContact CG-CD1 3.33Å; Q190-I319 HydrophobicContact CG-CG1 4.37Å; A193-I319 HydrophobicContact CB-CD1 4.5Å; M194-I319 HydrophobicContact CG-CD1 3.36Å; M194-I319 HydrophobicContact CG-CG1 4.22Å; M194-I319 HydrophobicContact SD-CD1 3.84Å; A295-I319 WeakPolarHBondContact O-CG1 3.43Å; A295-I319 PolarHBondContact O-N 3.47Å; S296-I319 CarbonylContact C-O 3.53Å; D297-I319 WeakPolarHBondContact CA-O 3.45Å; D297-I319 PolarHBondContact N-O 2.87Å; I319-Y502 HydrophobicContact CB-CD1 4.47Å; I319-Y502 HydrophobicContact CD1-CD1 4.15Å; I319-Y502 HydrophobicContact CD1-CE1 4.45Å; I319-Y502 HydrophobicContact CG1-CD1 4.5Å; I319-S503 WeakPolarHBondContact CA-O 3.38Å; I319-I504 HydrophobicContact CG2-CG1 4.1Å
320	E	94.7	Very high	94	Very high	30 Å²	30	35.3 Å²	35.3	14%	0.14	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	142	177.9	-176.5	176.5	-106.1	0	0	107.7	R301 Q322 A423 Y502 S503 Y505	R301-E320 WeakPolarHBondContact CB-OE1 3.44Å; R301-E320 WeakPolarHBondContact CD-OE2 3.12Å; R301-E320 PolarHBondContact N-OE1 3.47Å; E320-Q322 PolarHBondContact O-N 3.19Å; E320-A423 HydrophobicContact CG-CB 4.21Å; E320-Y502 CarbonylContact O-C 3.52Å; E320-Y502 WeakPolarHBondContact O-CA 3.43Å; E320-S503 PolarHBondContact N-O 3.42Å; E320-S503 PolarHBondContact O-N 2.86Å; E320-Y505 HydrophobicContact CB-CD2 4.16Å; E320-Y505 HydrophobicContact CB-CE2 3.94Å; E320-Y505 WeakPolarHBondContact OE2-CE2 3.24Å
321	I	94.5	Very high	94	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.015	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	125.2	174.2	-54.4	170	0	0	0	107	T167 V184 P185 D297 A323 F427 Y502	T167-I321 HydrophobicContact CG2-CD1 3.97Å; V184-I321 HydrophobicContact CB-CD1 4.05Å; V184-I321 HydrophobicContact CG1-CD1 3.93Å; P185-I321 HydrophobicContact CG-CD1 4.28Å; P185-I321 HydrophobicContact CG-CG1 4.31Å; P185-I321 HydrophobicContact CG-CG2 4.11Å; D297-I321 HydrophobicContact CB-CG1 4.38Å; I321-A323 PolarHBondContact O-N 3.14Å; I321-F427 HydrophobicContact CB-CE2 4.2Å; I321-F427 HydrophobicContact CB-CZ 4.4Å; I321-F427 HydrophobicContact CG2-CE1 4.35Å; I321-F427 HydrophobicContact CG2-CE2 3.62Å; I321-F427 HydrophobicContact CG2-CZ 3.36Å; I321-Y502 HydrophobicContact CB-CE1 4.41Å; I321-Y502 HydrophobicContact CG1-CD1 4.21Å; I321-Y502 HydrophobicContact CG1-CE1 3.57Å
322	Q	91.7	Very high	94.1	Very high	75 Å²	75	32.4 Å²	32.4	35%	0.35	17%	0.171	S	C	.	.			trans	-66.5	122.6	178.7	-174.1	178.2	-24.1	0	0	109.1	E320 Q501	E320-Q322 PolarHBondContact O-N 3.19Å; Q322-Q501 HydrophobicContact CB-CB 4.05Å; Q322-Q501 WeakPolarHBondContact CB-O 3.5Å; Q322-Q501 PolarHBondContact N-O 3.08Å
323	A	89.4	Confident	94.2	Very high	26 Å²	26	32 Å²	32	22%	0.215	17%	0.168	C	C	.	.			trans	-139.2	142.3	175.5	0	0	0	0	0	108.8	I321 A423 Q426 F427	I321-A323 PolarHBondContact O-N 3.14Å; A323-A423 WeakPolarHBondContact CB-O 3.31Å; A323-Q426 HydrophobicContact CB-CB 4.21Å; A323-F427 HydrophobicContact CB-CE2 3.9Å; A323-F427 HydrophobicContact CB-CZ 4.17Å
324	E	86.4	Confident	94.1	Very high	118 Å²	118	33.2 Å²	33.2	55%	0.551	18%	0.175	S	C	*	.			trans	-87.8	124.6	174.5	-169.2	60.2	-146.3	0	0	109.4	I326	E324-I326 PolarHBondContact O-N 3.05Å
325	P	90.3	Very high	94.1	Very high	81 Å²	81	34.9 Å²	34.9	53%	0.526	19%	0.187	S	C	.	.			trans	-60.7	124.6	174.5	-23.6	34.5	0	0	0	111.5	K327	P325-K327 PolarHBondContact O-N 3.22Å; P325-K327 VanDerWaalsContact O-N 3.09Å
326	I	93.8	Very high	94.1	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.015	19%	0.192	C	C	.	.			trans	-79.2	97.5	175.9	-58.2	176.6	0	0	0	108.3	F74 E324 A328 F329 T330 Q421 Q426 Y429 Y486	F74-I326 HydrophobicContact CE1-CG2 4.5Å; E324-I326 PolarHBondContact O-N 3.05Å; I326-A328 VanDerWaalsContact C-N 3.27Å; I326-A328 HydrophobicContact CG2-CB 4.45Å; I326-A328 PolarHBondContact O-N 3.31Å; I326-F329 HydrophobicContact CB-CB 3.92Å; I326-F329 HydrophobicContact CG2-CB 3.8Å; I326-F329 WeakPolarHBondContact O-CB 3.28Å; I326-F329 PolarHBondContact O-N 3.02Å; I326-T330 PolarHBondContact O-N 3.26Å; I326-T330 PolarHBondContact O-OG1 2.65Å; I326-Q421 PolarHBondContact O-OE1 2.03Å; I326-Q426 HydrophobicContact CD1-CG 4.46Å; I326-Y429 HydrophobicContact CD1-CD1 3.88Å; I326-Y429 HydrophobicContact CD1-CD2 4.05Å; I326-Y429 HydrophobicContact CD1-CG 3.63Å; I326-Y486 HydrophobicContact CB-CE2 4.47Å; I326-Y486 HydrophobicContact CD1-CD2 4.05Å; I326-Y486 HydrophobicContact CD1-CE2 4.14Å; I326-Y486 HydrophobicContact CG1-CD2 4.06Å; I326-Y486 HydrophobicContact CG1-CE2 4.34Å; I326-Y486 HydrophobicContact CG2-CD1 4.14Å; I326-Y486 HydrophobicContact CG2-CD2 3.79Å; I326-Y486 HydrophobicContact CG2-CE1 3.73Å; I326-Y486 HydrophobicContact CG2-CE2 3.34Å; I326-Y486 HydrophobicContact CG2-CG 4.18Å
327	K	93.1	Very high	93.8	Very high	143 Å²	143	36.1 Å²	36.1	62%	0.622	20%	0.196	S	C	*	.	H	α-helix	trans	-54.1	-42.2	-178.7	-174.7	-178.6	-179.6	-62.8	0	112.7	P325 F329 T330 D331	P325-K327 PolarHBondContact O-N 3.22Å; P325-K327 VanDerWaalsContact O-N 3.09Å; K327-F329 VanDerWaalsContact C-N 3.31Å; K327-F329 PolarHBondContact O-N 3.11Å; K327-T330 WeakPolarHBondContact O-CB 3.28Å; K327-T330 PolarHBondContact O-N 3Å; K327-T330 VanDerWaalsContact O-N 3.15Å; K327-D331 IonicContact NZ-OD1 3.32Å; K327-D331 IonicContact NZ-OD2 2.95Å; K327-D331 PolarHBondContact NZ-OD2 3.31Å; K327-D331 PolarHBondContact O-N 3.33Å
328	A	94.7	Very high	93.3	Very high	39 Å²	39	38 Å²	38	32%	0.322	20%	0.203	S	C	.	.	H	α-helix	trans	-62.8	-37.9	179.2	0	0	0	0	0	112.4	F74 I326 Y332 Y486	F74-A328 HydrophobicContact CZ-CB 3.94Å; I326-A328 VanDerWaalsContact C-N 3.27Å; I326-A328 HydrophobicContact CG2-CB 4.45Å; I326-A328 PolarHBondContact O-N 3.31Å; A328-Y332 WeakPolarHBondContact O-CB 3.5Å; A328-Y332 PolarHBondContact O-N 3.19Å; A328-Y486 HydrophobicContact CB-CE1 4.02Å; A328-Y486 WeakPolarHBondContact CB-OH 2.94Å
329	F	95.8	Very high	92.7	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.3	-43.2	172.6	171.1	-97.9	0	0	0	111.2	Q67 E70 A71 F74 I326 K327 D331 Y332 Y333 Q421 I425	Q67-F329 HydrophobicContact CB-CZ 4.34Å; Q67-F329 WeakPolarHBondContact O-CZ 3.29Å; E70-F329 HydrophobicContact CB-CE2 4.05Å; E70-F329 HydrophobicContact CB-CZ 4.28Å; A71-F329 VanDerWaalsContact CA-CE2 3.42Å; A71-F329 HydrophobicContact CB-CD2 4.29Å; A71-F329 HydrophobicContact CB-CE2 3.83Å; A71-F329 HydrophobicContact CB-CZ 4.13Å; F74-F329 HydrophobicContact CB-CD2 4.03Å; F74-F329 HydrophobicContact CB-CE2 4.47Å; F74-F329 HydrophobicContact CD1-CB 4.08Å; F74-F329 AromaticContact CD1-CD2 3.93Å; F74-F329 HydrophobicContact CD1-CD2 3.93Å; F74-F329 HydrophobicContact CD1-CG 4.5Å; F74-F329 HydrophobicContact CE1-CB 3.9Å; F74-F329 AromaticContact CG-CD2 3.93Å; F74-F329 HydrophobicContact CG-CD2 3.93Å; F74-F329 HydrophobicContact CZ-CB 4.29Å; I326-F329 HydrophobicContact CB-CB 3.92Å; I326-F329 HydrophobicContact CG2-CB 3.8Å; I326-F329 WeakPolarHBondContact O-CB 3.28Å; I326-F329 PolarHBondContact O-N 3.02Å; K327-F329 VanDerWaalsContact C-N 3.31Å; K327-F329 PolarHBondContact O-N 3.11Å; F329-D331 VanDerWaalsContact C-N 3.35Å; F329-D331 PolarHBondContact O-N 3.09Å; F329-Y332 HydrophobicContact CD2-CD1 4.06Å; F329-Y332 HydrophobicContact CE2-CD1 4.13Å; F329-Y332 HydrophobicContact CE2-CE1 4.39Å; F329-Y332 WeakPolarHBondContact O-CB 3.45Å; F329-Y332 PolarHBondContact O-N 2.88Å; F329-Y333 HydrophobicContact CZ-CD2 4.13Å; F329-Y333 HydrophobicContact CZ-CG 4.3Å; F329-Y333 VanDerWaalsContact O-CB 3.31Å; F329-Y333 WeakPolarHBondContact O-CB 3.26Å; F329-Y333 PolarHBondContact O-N 3.37Å; F329-Q421 HydrophobicContact CD1-CG 4.15Å; F329-Q421 HydrophobicContact CE1-CG 4.26Å; F329-I425 HydrophobicContact CD1-CG2 3.68Å; F329-I425 HydrophobicContact CE1-CD1 4.12Å; F329-I425 HydrophobicContact CE1-CG1 4.19Å; F329-I425 HydrophobicContact CE1-CG2 3.76Å; F329-I425 HydrophobicContact CG-CG2 4.08Å; F329-I425 HydrophobicContact CZ-CD1 4.17Å; F329-I425 HydrophobicContact CZ-CG2 4.25Å
330	T	94.6	Very high	92.4	Very high	24 Å²	24	44.7 Å²	44.7	15%	0.147	24%	0.235	C	C	.	.	H	α-helix	trans	-59.8	-46.1	176.7	-65.1	0	0	0	0	111.1	I326 K327 Y332 Y333 L334 F419 Q421	I326-T330 PolarHBondContact O-N 3.26Å; I326-T330 PolarHBondContact O-OG1 2.65Å; K327-T330 WeakPolarHBondContact O-CB 3.28Å; K327-T330 PolarHBondContact O-N 3Å; K327-T330 VanDerWaalsContact O-N 3.15Å; T330-Y332 VanDerWaalsContact C-N 3.35Å; T330-Y332 PolarHBondContact O-N 3.22Å; T330-Y333 PolarHBondContact O-N 3.42Å; T330-L334 HydrophobicContact CG2-CD1 3.79Å; T330-L334 HydrophobicContact CG2-CG 4.29Å; T330-L334 WeakPolarHBondContact O-CB 3.48Å; T330-L334 VanDerWaalsContact O-CG 3.27Å; T330-L334 WeakPolarHBondContact O-CG 3.1Å; T330-L334 PolarHBondContact O-N 2.9Å; T330-F419 HydrophobicContact CG2-CD1 4.1Å; T330-F419 HydrophobicContact CG2-CE1 4.25Å; T330-Q421 PolarHBondContact OG1-OE1 2.7Å
331	D	95.2	Very high	92.1	Very high	78 Å²	78	50.6 Å²	50.6	42%	0.417	26%	0.262	S	S	.	.	H	α-helix	trans	-62	-42.2	177	-68.3	-27.7	0	0	0	111.4	K327 F329 S335	K327-D331 IonicContact NZ-OD1 3.32Å; K327-D331 IonicContact NZ-OD2 2.95Å; K327-D331 PolarHBondContact NZ-OD2 3.31Å; K327-D331 PolarHBondContact O-N 3.33Å; F329-D331 VanDerWaalsContact C-N 3.35Å; F329-D331 PolarHBondContact O-N 3.09Å; D331-S335 WeakPolarHBondContact O-CB 3.33Å; D331-S335 PolarHBondContact O-N 3.44Å; D331-S335 VanDerWaalsContact O-N 3.16Å
332	Y	95.9	Very high	92	Very high	40 Å²	40	53.3 Å²	53.3	16%	0.157	27%	0.272	C	S	.	.	H	α-helix	trans	-59.4	-55.2	172.8	160.9	-103.3	0	0	0	111.6	E70 F74 A328 F329 T330 L334 S335 L336	E70-Y332 HydrophobicContact CB-CE1 4.18Å; E70-Y332 PolarHBondContact OE2-OH 3.47Å; F74-Y332 HydrophobicContact CB-CD1 3.91Å; F74-Y332 HydrophobicContact CB-CE1 3.85Å; F74-Y332 AromaticContact CD2-CD1 3.73Å; F74-Y332 HydrophobicContact CD2-CD1 3.73Å; F74-Y332 HydrophobicContact CD2-CD2 4.2Å; F74-Y332 HydrophobicContact CD2-CE1 4.39Å; F74-Y332 AromaticContact CD2-CG 3.62Å; F74-Y332 HydrophobicContact CD2-CG 3.62Å; F74-Y332 HydrophobicContact CE2-CG 4.26Å; F74-Y332 HydrophobicContact CG-CD1 4.09Å; F74-Y332 HydrophobicContact CG-CG 4.44Å; A328-Y332 WeakPolarHBondContact O-CB 3.5Å; A328-Y332 PolarHBondContact O-N 3.19Å; F329-Y332 HydrophobicContact CD2-CD1 4.06Å; F329-Y332 HydrophobicContact CE2-CD1 4.13Å; F329-Y332 HydrophobicContact CE2-CE1 4.39Å; F329-Y332 WeakPolarHBondContact O-CB 3.45Å; F329-Y332 PolarHBondContact O-N 2.88Å; T330-Y332 VanDerWaalsContact C-N 3.35Å; T330-Y332 PolarHBondContact O-N 3.22Å; Y332-L334 PolarHBondContact O-N 3.37Å; Y332-S335 WeakPolarHBondContact O-CA 3.35Å; Y332-S335 WeakPolarHBondContact O-CB 3.23Å; Y332-S335 PolarHBondContact O-N 2.94Å; Y332-S335 PolarHBondContact O-OG 3.44Å; Y332-L336 HydrophobicContact CE1-CD1 4.29Å; Y332-L336 HydrophobicContact CE2-CD2 3.92Å; Y332-L336 PolarHBondContact O-N 3.46Å
333	Y	96	Very high	92.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.1	-47.2	-176.1	-175.1	-104.1	0	0	0	110.9	I66 Q67 E70 F329 T330 S335 L336 Y349 L411 L415 F419	I66-Y333 HydrophobicContact CG2-CE2 4.26Å; Q67-Y333 HydrophobicContact CB-CE2 4.44Å; Q67-Y333 HydrophobicContact CG-CD2 4.5Å; Q67-Y333 HydrophobicContact CG-CE1 3.97Å; Q67-Y333 HydrophobicContact CG-CE2 3.87Å; E70-Y333 HydrophobicContact CB-CD2 4.06Å; E70-Y333 HydrophobicContact CB-CE2 4.36Å; E70-Y333 HydrophobicContact CG-CD2 4.06Å; E70-Y333 HydrophobicContact CG-CE2 4.05Å; F329-Y333 HydrophobicContact CZ-CD2 4.13Å; F329-Y333 HydrophobicContact CZ-CG 4.3Å; F329-Y333 VanDerWaalsContact O-CB 3.31Å; F329-Y333 WeakPolarHBondContact O-CB 3.26Å; F329-Y333 PolarHBondContact O-N 3.37Å; T330-Y333 PolarHBondContact O-N 3.42Å; Y333-S335 PolarHBondContact O-N 3.13Å; Y333-L336 HydrophobicContact CD2-CD1 3.98Å; Y333-L336 HydrophobicContact CE2-CD1 4.47Å; Y333-L336 VanDerWaalsContact O-CB 3.3Å; Y333-L336 WeakPolarHBondContact O-CB 3.49Å; Y333-L336 WeakPolarHBondContact O-CG 3.32Å; Y333-L336 PolarHBondContact O-N 3.49Å; Y333-L336 VanDerWaalsContact O-N 3.12Å; Y333-Y349 PolarHBondContact OH-OH 3.08Å; Y333-L411 HydrophobicContact CD1-CD1 4.11Å; Y333-L411 HydrophobicContact CD2-CD1 4.43Å; Y333-L411 HydrophobicContact CE1-CD1 3.72Å; Y333-L411 HydrophobicContact CE2-CD1 4.07Å; Y333-L411 HydrophobicContact CG-CD1 4.45Å; Y333-L411 WeakPolarHBondContact O-CD1 3.18Å; Y333-L415 HydrophobicContact CE1-CD1 3.94Å; Y333-F419 HydrophobicContact CD1-CE1 4Å; Y333-F419 HydrophobicContact CD1-CE2 4.31Å; Y333-F419 AromaticContact CD1-CZ 3.64Å; Y333-F419 HydrophobicContact CD1-CZ 3.64Å; Y333-F419 HydrophobicContact CE1-CE1 4.45Å; Y333-F419 AromaticContact CE1-CE2 3.95Å; Y333-F419 HydrophobicContact CE1-CE2 3.95Å; Y333-F419 AromaticContact CE1-CZ 3.66Å; Y333-F419 HydrophobicContact CE1-CZ 3.66Å
334	L	95	Very high	92.3	Very high	26 Å²	26	51 Å²	51	14%	0.136	26%	0.262	C	S	.	.	H	α-helix	trans	-68.1	-16.6	177.5	-66.4	179.6	0	0	0	113.7	T330 Y332 R412 L415 F419	T330-L334 HydrophobicContact CG2-CD1 3.79Å; T330-L334 HydrophobicContact CG2-CG 4.29Å; T330-L334 WeakPolarHBondContact O-CB 3.48Å; T330-L334 VanDerWaalsContact O-CG 3.27Å; T330-L334 WeakPolarHBondContact O-CG 3.1Å; T330-L334 PolarHBondContact O-N 2.9Å; Y332-L334 PolarHBondContact O-N 3.37Å; L334-R412 HydrophobicContact CB-CB 4.01Å; L334-R412 PolarHBondContact O-N 3.38Å; L334-L415 HydrophobicContact CD2-CB 4.44Å; L334-L415 HydrophobicContact CD2-CD1 4.11Å; L334-F419 HydrophobicContact CD1-CD1 4.18Å; L334-F419 HydrophobicContact CD2-CB 4.18Å; L334-F419 HydrophobicContact CD2-CD1 3.83Å; L334-F419 HydrophobicContact CD2-CE1 4.36Å; L334-F419 HydrophobicContact CD2-CG 3.92Å; L334-F419 HydrophobicContact CG-CD1 4.15Å
335	S	94	Very high	92.7	Very high	45 Å²	45	45.7 Å²	45.7	32%	0.315	24%	0.236	S	C	.	.	H	α-helix	trans	-83.4	-12.5	174.3	82.9	0	0	0	0	114	D331 Y332 Y333 K410	D331-S335 WeakPolarHBondContact O-CB 3.33Å; D331-S335 PolarHBondContact O-N 3.44Å; D331-S335 VanDerWaalsContact O-N 3.16Å; Y332-S335 WeakPolarHBondContact O-CA 3.35Å; Y332-S335 WeakPolarHBondContact O-CB 3.23Å; Y332-S335 PolarHBondContact O-N 2.94Å; Y332-S335 PolarHBondContact O-OG 3.44Å; Y333-S335 PolarHBondContact O-N 3.13Å; S335-K410 VanDerWaalsContact O-CD 3.3Å; S335-K410 WeakPolarHBondContact O-CD 3.36Å; S335-K410 WeakPolarHBondContact O-CE 3.44Å; S335-K410 PolarHBondContact O-NZ 3.36Å
336	L	94.5	Very high	92.9	Very high	17 Å²	17	41.9 Å²	41.9	9%	0.089	21%	0.212	C	C	.	.			trans	-65.6	135.1	178.2	-61.4	175.3	0	0	0	110	E70 Y332 Y333 F346 K410 L411	E70-L336 HydrophobicContact CG-CD1 3.95Å; Y332-L336 HydrophobicContact CE1-CD1 4.29Å; Y332-L336 HydrophobicContact CE2-CD2 3.92Å; Y332-L336 PolarHBondContact O-N 3.46Å; Y333-L336 HydrophobicContact CD2-CD1 3.98Å; Y333-L336 HydrophobicContact CE2-CD1 4.47Å; Y333-L336 VanDerWaalsContact O-CB 3.3Å; Y333-L336 WeakPolarHBondContact O-CB 3.49Å; Y333-L336 WeakPolarHBondContact O-CG 3.32Å; Y333-L336 PolarHBondContact O-N 3.49Å; Y333-L336 VanDerWaalsContact O-N 3.12Å; L336-F346 HydrophobicContact CB-CE1 4.49Å; L336-F346 HydrophobicContact CB-CE2 4.17Å; L336-F346 HydrophobicContact CB-CZ 3.69Å; L336-F346 HydrophobicContact CD1-CE2 3.77Å; L336-F346 HydrophobicContact CD1-CZ 4.18Å; L336-K410 CarbonylContact O-C 3.58Å; L336-K410 WeakPolarHBondContact O-CA 3.28Å; L336-L411 HydrophobicContact CB-CD1 4.2Å; L336-L411 PolarHBondContact O-N 3.24Å
337	G	90.6	Very high	92.7	Very high	9 Å²	9	48.3 Å²	48.3	9%	0.093	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-115.7	-177.3	169.3	0	0	0	0	0	109.7	E339 F346	G337-E339 PolarHBondContact O-N 3.24Å; G337-E339 VanDerWaalsContact O-N 3.1Å; G337-F346 VanDerWaalsContact O-CE1 3.23Å; G337-F346 WeakPolarHBondContact O-CE1 3.4Å
338	R	85.6	Confident	92.5	Very high	40 Å²	40	43.3 Å²	43.3	15%	0.151	22%	0.215	C	C	.	.	S	Bend	trans	-45.6	-44.2	-178	-175.9	-175.8	174.2	-169.2	-2.3	114.7	N340 W350 E358 C403 S404	R338-N340 VanDerWaalsContact C-N 3.28Å; R338-N340 PolarHBondContact O-N 2.95Å; R338-W350 HydrophobicContact CB-CD2 4.1Å; R338-W350 HydrophobicContact CB-CG 4.39Å; R338-W350 HydrophobicContact CB-CZ2 4.12Å; R338-W350 HydrophobicContact CG-CD2 4.49Å; R338-W350 HydrophobicContact CG-CG 4.26Å; R338-E358 IonicContact CZ-OE1 3.07Å; R338-E358 IonicContact NE-OE1 3.31Å; R338-E358 IonicContact NH2-OE1 2.89Å; R338-E358 PolarHBondContact NH2-OE1 2.99Å; R338-C403 PolarHBondContact NH1-O 3.42Å; R338-S404 VanDerWaalsContact NH1-CA 3.32Å; R338-S404 PolarHBondContact NH1-OG 2.78Å
339	E	84.6	Confident	92.4	Very high	126 Å²	126	41.7 Å²	41.7	59%	0.589	20%	0.2	S	C	*	.			trans	-81.8	65.4	-174.1	-56.7	-57.5	157.5	0	0	112.4	G337 H341	G337-E339 PolarHBondContact O-N 3.24Å; G337-E339 VanDerWaalsContact O-N 3.1Å; E339-H341 IonicContact OE2-CE1 3.71Å; E339-H341 PolarHBondContact OE2-CE1 3.09Å; E339-H341 IonicContact OE2-ND1 3.44Å; E339-H341 IonicContact OE2-NE2 2.69Å; E339-H341 PolarHBondContact OE2-NE2 3.42Å
340	N	90.6	Very high	92.2	Very high	16 Å²	16	41.9 Å²	41.9	9%	0.086	20%	0.201	C	C	.	.			trans	-106.2	66.9	175.4	-174.9	17.9	0	0	0	111.2	E70 R338 R342 N343 F346	E70-N340 PolarHBondContact OE1-ND2 2.96Å; R338-N340 VanDerWaalsContact C-N 3.28Å; R338-N340 PolarHBondContact O-N 2.95Å; N340-R342 PolarHBondContact O-N 3.15Å; N340-R342 VanDerWaalsContact O-N 3.16Å; N340-R342 WeakPolarHBondContact OD1-CG 3.46Å; N340-N343 PolarHBondContact O-N 3.15Å; N340-N343 VanDerWaalsContact O-O 3.13Å; N340-F346 HydrophobicContact CB-CB 4.1Å; N340-F346 HydrophobicContact CB-CD1 3.5Å; N340-F346 VanDerWaalsContact CB-CD1 3.5Å; N340-F346 HydrophobicContact CB-CD2 4.31Å; N340-F346 HydrophobicContact CB-CE1 3.93Å; N340-F346 HydrophobicContact CB-CG 3.71Å; N340-F346 HydrophobicContact CB-CZ 4.49Å; N340-F346 VanDerWaalsContact ND2-CD2 3.26Å; N340-F346 WeakPolarHBondContact ND2-CD2 3.28Å; N340-F346 WeakPolarHBondContact ND2-CG 3.36Å
341	H	88.7	Confident	92	Very high	154 Å²	154	43.4 Å²	43.4	71%	0.713	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.1	-170.8	-59.1	-53.9	0	0	0	115.2	E339 N343	E339-H341 IonicContact OE2-CE1 3.71Å; E339-H341 PolarHBondContact OE2-CE1 3.09Å; E339-H341 IonicContact OE2-ND1 3.44Å; E339-H341 IonicContact OE2-NE2 2.69Å; E339-H341 PolarHBondContact OE2-NE2 3.42Å; H341-N343 PolarHBondContact O-N 3.45Å
342	R	91.8	Very high	91.7	Very high	60 Å²	60	44 Å²	44	23%	0.226	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-25.7	177.6	64.3	-179.4	-53.6	-177.7	13.8	112.6	A35 I37 L73 D77 N340	A35-R342 WeakPolarHBondContact CB-O 3.39Å; I37-R342 HydrophobicContact CD1-CB 4.1Å; L73-R342 HydrophobicContact CD1-CG 4.14Å; L73-R342 PolarHBondContact O-NH2 3.27Å; D77-R342 IonicContact OD1-CZ 3.43Å; D77-R342 IonicContact OD1-NH1 2.7Å; D77-R342 IonicContact OD1-NH2 2.64Å; D77-R342 PolarHBondContact OD1-NH2 3.22Å; D77-R342 IonicContact OD2-CZ 3.07Å; D77-R342 IonicContact OD2-NH1 3.26Å; D77-R342 PolarHBondContact OD2-NH1 3.39Å; D77-R342 IonicContact OD2-NH2 2.68Å; D77-R342 PolarHBondContact OD2-NH2 3.38Å; N340-R342 PolarHBondContact O-N 3.15Å; N340-R342 VanDerWaalsContact O-N 3.16Å; N340-R342 WeakPolarHBondContact OD1-CG 3.46Å
343	N	94.5	Very high	91.3	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.011	22%	0.215	C	C	.	.	S	Bend	trans	-110	101.4	175.1	179.4	-8.3	0	0	0	109.1	E70 L73 N340 H341 W345 F346	E70-N343 WeakPolarHBondContact OE1-CB 3.33Å; E70-N343 PolarHBondContact OE1-ND2 3.4Å; L73-N343 HydrophobicContact CD1-CB 4.2Å; N340-N343 PolarHBondContact O-N 3.15Å; N340-N343 VanDerWaalsContact O-O 3.13Å; H341-N343 PolarHBondContact O-N 3.45Å; N343-W345 PolarHBondContact O-N 3.22Å; N343-W345 VanDerWaalsContact O-N 3.16Å; N343-W345 PolarHBondContact OD1-N 3.37Å; N343-W345 VanDerWaalsContact OD1-N 3.14Å; N343-F346 HydrophobicContact CB-CB 4.01Å; N343-F346 VanDerWaalsContact O-CB 3.29Å; N343-F346 WeakPolarHBondContact O-CB 3.21Å; N343-F346 PolarHBondContact O-N 2.93Å; N343-F346 PolarHBondContact OD1-N 3.49Å
344	P	93.5	Very high	91	Very high	51 Å²	51	47.2 Å²	47.2	33%	0.331	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-23.4	-174.4	27.4	-35.6	0	0	0	113.3	T33 A35	T33-P344 HydrophobicContact CG2-CB 3.69Å; T33-P344 HydrophobicContact CG2-CG 3.74Å; A35-P344 HydrophobicContact CB-CG 4.3Å
345	W	94.5	Very high	90.5	Very high	5 Å²	5	54.1 Å²	54.1	2%	0.019	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-13.6	178.6	-54.4	-75.1	0	0	0	113.1	T33 A35 V49 H50 I60 I66 V69 I95 D97 N343 R347 E348 Y349	T33-W345 HydrophobicContact CG2-CZ2 4.31Å; T33-W345 WeakPolarHBondContact O-CZ2 2.98Å; A35-W345 HydrophobicContact CB-CH2 4.5Å; A35-W345 HydrophobicContact CB-CZ3 3.94Å; V49-W345 HydrophobicContact CB-CD2 4.34Å; V49-W345 HydrophobicContact CB-CG 4.41Å; V49-W345 HydrophobicContact CG1-CB 3.6Å; V49-W345 HydrophobicContact CG1-CD2 3.85Å; V49-W345 HydrophobicContact CG1-CE3 4.37Å; V49-W345 HydrophobicContact CG1-CG 3.5Å; V49-W345 HydrophobicContact CG2-CD2 4.04Å; V49-W345 HydrophobicContact CG2-CE3 3.98Å; V49-W345 HydrophobicContact CG2-CH2 4.5Å; V49-W345 HydrophobicContact CG2-CZ3 4.23Å; H50-W345 AromaticContact CE1-CD1 3.64Å; I60-W345 HydrophobicContact CD1-CB 4.25Å; I60-W345 WeakPolarHBondContact CD1-O 3.44Å; I66-W345 HydrophobicContact CD1-CB 3.88Å; V69-W345 HydrophobicContact CG1-CE3 4.5Å; V69-W345 HydrophobicContact CG1-CZ3 4.42Å; I95-W345 HydrophobicContact CB-CZ3 4.46Å; I95-W345 HydrophobicContact CG2-CH2 4.1Å; I95-W345 HydrophobicContact CG2-CZ3 3.86Å; I95-W345 WeakPolarHBondContact O-CH2 3.47Å; D97-W345 HydrophobicContact CB-CZ2 3.79Å; N343-W345 PolarHBondContact O-N 3.22Å; N343-W345 VanDerWaalsContact O-N 3.16Å; N343-W345 PolarHBondContact OD1-N 3.37Å; N343-W345 VanDerWaalsContact OD1-N 3.14Å; W345-R347 PolarHBondContact O-N 2.03Å; W345-E348 PolarHBondContact O-N 2.81Å; W345-E348 VanDerWaalsContact O-N 3.17Å; W345-Y349 PolarHBondContact O-N 3.46Å
346	F	93.5	Very high	90.1	Very high	1 Å²	1	52.6 Å²	52.6	0%	0.004	25%	0.25	C	C	.	.	H	α-helix	trans	-62.8	-30.6	-178.7	-163.6	-91.2	0	0	0	112.6	I66 L336 G337 N340 N343 Y349 W350 L411	I66-F346 HydrophobicContact CG2-CD2 3.99Å; I66-F346 HydrophobicContact CG2-CE2 4.34Å; L336-F346 HydrophobicContact CB-CE1 4.49Å; L336-F346 HydrophobicContact CB-CE2 4.17Å; L336-F346 HydrophobicContact CB-CZ 3.69Å; L336-F346 HydrophobicContact CD1-CE2 3.77Å; L336-F346 HydrophobicContact CD1-CZ 4.18Å; G337-F346 VanDerWaalsContact O-CE1 3.23Å; G337-F346 WeakPolarHBondContact O-CE1 3.4Å; N340-F346 HydrophobicContact CB-CB 4.1Å; N340-F346 HydrophobicContact CB-CD1 3.5Å; N340-F346 VanDerWaalsContact CB-CD1 3.5Å; N340-F346 HydrophobicContact CB-CD2 4.31Å; N340-F346 HydrophobicContact CB-CE1 3.93Å; N340-F346 HydrophobicContact CB-CG 3.71Å; N340-F346 HydrophobicContact CB-CZ 4.49Å; N340-F346 VanDerWaalsContact ND2-CD2 3.26Å; N340-F346 WeakPolarHBondContact ND2-CD2 3.28Å; N340-F346 WeakPolarHBondContact ND2-CG 3.36Å; N343-F346 HydrophobicContact CB-CB 4.01Å; N343-F346 VanDerWaalsContact O-CB 3.29Å; N343-F346 WeakPolarHBondContact O-CB 3.21Å; N343-F346 PolarHBondContact O-N 2.93Å; N343-F346 PolarHBondContact OD1-N 3.49Å; F346-Y349 HydrophobicContact CD2-CD1 4.13Å; F346-Y349 HydrophobicContact CE2-CD1 4.01Å; F346-Y349 HydrophobicContact CE2-CE1 4.26Å; F346-Y349 HydrophobicContact CZ-CD1 4.42Å; F346-Y349 PolarHBondContact O-N 2.99Å; F346-W350 AromaticContact CE1-CE3 3.65Å; F346-W350 HydrophobicContact CE1-CE3 3.65Å; F346-W350 HydrophobicContact CE1-CZ3 4.13Å; F346-W350 HydrophobicContact CZ-CE3 4.17Å; F346-W350 HydrophobicContact CZ-CZ3 4.4Å; F346-W350 WeakPolarHBondContact O-CB 3.47Å; F346-W350 PolarHBondContact O-N 3.35Å; F346-L411 HydrophobicContact CE2-CD1 3.99Å; F346-L411 HydrophobicContact CZ-CD1 3.77Å; F346-L411 HydrophobicContact CZ-CD2 4.47Å; F346-L411 HydrophobicContact CZ-CG 4.13Å
347	R	89.7	Confident	89.3	Confident	138 Å²	138	61.6 Å²	61.6	52%	0.521	28%	0.283	S	S	.	.	H	α-helix	trans	-65.7	-40.9	176.8	-174.8	-178.7	-175.5	173.1	1.5	112.5	W345 Q351 E358	W345-R347 PolarHBondContact O-N 2.03Å; R347-Q351 WeakPolarHBondContact O-CG 3.04Å; R347-Q351 PolarHBondContact O-N 3.42Å; R347-E358 IonicContact CZ-OE1 3.91Å; R347-E358 IonicContact CZ-OE2 3.27Å; R347-E358 IonicContact NE-OE1 2.73Å; R347-E358 PolarHBondContact NE-OE1 2.93Å; R347-E358 IonicContact NE-OE2 3.44Å; R347-E358 PolarHBondContact NE-OE2 2.82Å; R347-E358 VanDerWaalsContact NH2-CD 3.27Å; R347-E358 IonicContact NH2-OE1 2.89Å; R347-E358 PolarHBondContact NH2-OE1 2.76Å; R347-E358 IonicContact NH2-OE2 3.81Å; R347-E358 PolarHBondContact NH2-OE2 3.36Å
348	E	90.1	Very high	88.1	Confident	39 Å²	39	62.8 Å²	62.8	18%	0.182	29%	0.286	C	S	.	.	H	α-helix	trans	-66.7	-44	174.6	174.5	178.2	-168.2	0	0	110.6	Y29 H50 I60 W345 W350 Q351 D352	Y29-E348 PolarHBondContact OH-OE1 2.77Å; Y29-E348 PolarHBondContact OH-OE2 3.26Å; H50-E348 IonicContact CD2-OE1 2.73Å; H50-E348 IonicContact CE1-OE2 3.78Å; H50-E348 VanDerWaalsContact NE2-CD 3.27Å; H50-E348 IonicContact NE2-OE1 3.68Å; H50-E348 PolarHBondContact NE2-OE1 2.7Å; H50-E348 IonicContact NE2-OE2 2.64Å; H50-E348 PolarHBondContact NE2-OE2 3.45Å; I60-E348 HydrophobicContact CB-CG 4.35Å; I60-E348 HydrophobicContact CD1-CB 3.85Å; I60-E348 HydrophobicContact CD1-CG 3.73Å; W345-E348 PolarHBondContact O-N 2.81Å; W345-E348 VanDerWaalsContact O-N 3.17Å; E348-W350 VanDerWaalsContact C-N 3.29Å; E348-W350 PolarHBondContact O-N 2.96Å; E348-Q351 WeakPolarHBondContact O-CB 3.27Å; E348-Q351 PolarHBondContact O-N 3.23Å; E348-Q351 VanDerWaalsContact O-N 3.08Å; E348-D352 PolarHBondContact O-N 3.18Å
349	Y	92.3	Very high	86.9	Confident	5 Å²	5	65.1 Å²	65.1	2%	0.02	31%	0.308	C	S	.	.	H	α-helix	trans	-58.4	-42.8	176.1	169.1	-122.2	0	0	0	111.7	P62 I66 Y333 W345 F346 Q351 D352 L353 L411	P62-Y349 HydrophobicContact CB-CD2 4.1Å; P62-Y349 HydrophobicContact CB-CE2 3.55Å; P62-Y349 HydrophobicContact CG-CD2 4.08Å; P62-Y349 HydrophobicContact CG-CE2 3.81Å; I66-Y349 HydrophobicContact CG1-CD1 4.45Å; I66-Y349 HydrophobicContact CG1-CD2 4.39Å; I66-Y349 HydrophobicContact CG1-CG 4Å; I66-Y349 HydrophobicContact CG2-CD1 3.87Å; I66-Y349 HydrophobicContact CG2-CE1 4.26Å; I66-Y349 HydrophobicContact CG2-CG 4.28Å; Y333-Y349 PolarHBondContact OH-OH 3.08Å; W345-Y349 PolarHBondContact O-N 3.46Å; F346-Y349 HydrophobicContact CD2-CD1 4.13Å; F346-Y349 HydrophobicContact CE2-CD1 4.01Å; F346-Y349 HydrophobicContact CE2-CE1 4.26Å; F346-Y349 HydrophobicContact CZ-CD1 4.42Å; F346-Y349 PolarHBondContact O-N 2.99Å; Y349-Q351 VanDerWaalsContact C-N 3.3Å; Y349-Q351 PolarHBondContact O-N 3.09Å; Y349-D352 PolarHBondContact O-N 3.33Å; Y349-L353 HydrophobicContact CE1-CD2 4.47Å; Y349-L353 HydrophobicContact CE2-CB 4.3Å; Y349-L353 HydrophobicContact CE2-CD1 4.37Å; Y349-L353 VanDerWaalsContact O-CB 3.28Å; Y349-L353 WeakPolarHBondContact O-CB 3.45Å; Y349-L353 PolarHBondContact O-N 2.91Å; Y349-L411 HydrophobicContact CE1-CD1 4.14Å; Y349-L411 HydrophobicContact CE1-CD2 3.88Å
350	W	91.2	Very high	85.2	Confident	3 Å²	3	63.6 Å²	63.6	1%	0.011	31%	0.312	C	S	.	.	H	α-helix	trans	-61.7	-37.2	176.6	-163.9	-90.2	0	0	0	112.7	R338 F346 E348 L354 L409 L411 I414	R338-W350 HydrophobicContact CB-CD2 4.1Å; R338-W350 HydrophobicContact CB-CG 4.39Å; R338-W350 HydrophobicContact CB-CZ2 4.12Å; R338-W350 HydrophobicContact CG-CD2 4.49Å; R338-W350 HydrophobicContact CG-CG 4.26Å; F346-W350 AromaticContact CE1-CE3 3.65Å; F346-W350 HydrophobicContact CE1-CE3 3.65Å; F346-W350 HydrophobicContact CE1-CZ3 4.13Å; F346-W350 HydrophobicContact CZ-CE3 4.17Å; F346-W350 HydrophobicContact CZ-CZ3 4.4Å; F346-W350 WeakPolarHBondContact O-CB 3.47Å; F346-W350 PolarHBondContact O-N 3.35Å; E348-W350 VanDerWaalsContact C-N 3.29Å; E348-W350 PolarHBondContact O-N 2.96Å; W350-L354 HydrophobicContact CZ2-CD1 4.26Å; W350-L354 VanDerWaalsContact NE1-CD1 3.29Å; W350-L354 PolarHBondContact O-N 2.94Å; W350-L409 HydrophobicContact CH2-CG 4.46Å; W350-L409 VanDerWaalsContact CH2-O 3.27Å; W350-L409 WeakPolarHBondContact CH2-O 3.41Å; W350-L409 HydrophobicContact CZ2-CB 4.15Å; W350-L409 HydrophobicContact CZ2-CD2 4.09Å; W350-L409 HydrophobicContact CZ2-CG 4.22Å; W350-L411 HydrophobicContact CE3-CD2 4.13Å; W350-L411 HydrophobicContact CZ3-CD2 3.7Å; W350-L411 HydrophobicContact CZ3-CG 4.03Å; W350-I414 HydrophobicContact CH2-CD1 3.57Å; W350-I414 HydrophobicContact CZ2-CD1 3.83Å; W350-I414 HydrophobicContact CZ3-CD1 4Å
351	Q	90.1	Very high	82.7	Confident	56 Å²	56	69 Å²	69	26%	0.262	35%	0.345	S	S	.	.	H	α-helix	trans	-69.2	-41.8	176.4	-72.9	173.4	-0.3	0	0	112	R347 E348 Y349 Q355 C356 E358	R347-Q351 WeakPolarHBondContact O-CG 3.04Å; R347-Q351 PolarHBondContact O-N 3.42Å; E348-Q351 WeakPolarHBondContact O-CB 3.27Å; E348-Q351 PolarHBondContact O-N 3.23Å; E348-Q351 VanDerWaalsContact O-N 3.08Å; Y349-Q351 VanDerWaalsContact C-N 3.3Å; Y349-Q351 PolarHBondContact O-N 3.09Å; Q351-Q355 VanDerWaalsContact O-CA 3.28Å; Q351-Q355 WeakPolarHBondContact O-CA 3.02Å; Q351-Q355 PolarHBondContact O-N 2.95Å; Q351-C356 WeakPolarHBondContact CB-O 3.41Å; Q351-C356 PolarHBondContact O-N 2.89Å; Q351-C356 VanDerWaalsContact O-N 3.11Å; Q351-E358 PolarHBondContact NE2-OE2 2.67Å
352	D	88.4	Confident	80.1	Confident	92 Å²	92	71.2 Å²	71.2	49%	0.492	35%	0.353	S	S	.	.	H	α-helix	trans	-65.2	-46.5	177.2	-170.4	62.7	0	0	0	111.2	I60 E348 Y349 L354 Q355	I60-D352 HydrophobicContact CG2-CB 3.99Å; E348-D352 PolarHBondContact O-N 3.18Å; Y349-D352 PolarHBondContact O-N 3.33Å; D352-L354 PolarHBondContact O-N 2.86Å; D352-Q355 PolarHBondContact O-N 2.88Å
353	L	88.4	Confident	77.3	Confident	50 Å²	50	79.6 Å²	79.6	26%	0.262	39%	0.385	S	S	.	.	H	α-helix	trans	-61.7	-41.1	-178.7	-172	69.1	0	0	0	113	Y349 L411 I414 L415	Y349-L353 HydrophobicContact CE1-CD2 4.47Å; Y349-L353 HydrophobicContact CE2-CB 4.3Å; Y349-L353 HydrophobicContact CE2-CD1 4.37Å; Y349-L353 VanDerWaalsContact O-CB 3.28Å; Y349-L353 WeakPolarHBondContact O-CB 3.45Å; Y349-L353 PolarHBondContact O-N 2.91Å; L353-L411 HydrophobicContact CD2-CD2 3.58Å; L353-I414 HydrophobicContact CD1-CG2 4.21Å; L353-I414 HydrophobicContact CD2-CB 4.08Å; L353-I414 HydrophobicContact CD2-CD1 3.89Å; L353-I414 HydrophobicContact CD2-CG2 3.54Å; L353-I414 HydrophobicContact CG-CG2 3.66Å; L353-L415 HydrophobicContact CD1-CD2 3.89Å; L353-L415 HydrophobicContact CD2-CD2 4.36Å
354	L	88.6	Confident	74.2	Confident	56 Å²	56	90.5 Å²	90.5	29%	0.293	43%	0.425	S	S	.	.	H	α-helix	trans	-94.6	-1.4	179.8	-68.4	178.3	0	0	0	113.7	W350 D352 C356 L409 I414	W350-L354 HydrophobicContact CZ2-CD1 4.26Å; W350-L354 VanDerWaalsContact NE1-CD1 3.29Å; W350-L354 PolarHBondContact O-N 2.94Å; D352-L354 PolarHBondContact O-N 2.86Å; L354-C356 HydrophobicContact CB-CB 4.19Å; L354-C356 PolarHBondContact O-N 2.96Å; L354-C356 VanDerWaalsContact O-N 3.11Å; L354-L409 HydrophobicContact CD1-CD2 4.08Å; L354-L409 HydrophobicContact CD2-CD2 4.21Å; L354-I414 HydrophobicContact CD1-CD1 4.44Å; L354-I414 HydrophobicContact CD2-CD1 3.89Å; L354-I414 HydrophobicContact CD2-CG1 4.16Å; L354-I414 HydrophobicContact CD2-CG2 4.25Å; L354-I414 HydrophobicContact CG-CD1 4.23Å
355	Q	85.6	Confident	71.1	Confident	171 Å²	171	97.3 Å²	97.3	80%	0.799	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	35.6	-173.1	-58.9	177.1	-2.5	0	0	112.8	Q351 D352	Q351-Q355 VanDerWaalsContact O-CA 3.28Å; Q351-Q355 WeakPolarHBondContact O-CA 3.02Å; Q351-Q355 PolarHBondContact O-N 2.95Å; D352-Q355 PolarHBondContact O-N 2.88Å
356	C	85	Confident	67.9	Low	14 Å²	14	108.7 Å²	108.7	10%	0.095	50%	0.496	C	S	.	.			trans	-110.2	154.2	-175.2	69	0	0	0	0	110.7	Q351 L354 C403	Q351-C356 WeakPolarHBondContact CB-O 3.41Å; Q351-C356 PolarHBondContact O-N 2.89Å; Q351-C356 VanDerWaalsContact O-N 3.11Å; L354-C356 HydrophobicContact CB-CB 4.19Å; L354-C356 PolarHBondContact O-N 2.96Å; L354-C356 VanDerWaalsContact O-N 3.11Å; C356-C403 HydrophobicContact CB-CB 4.13Å; C356-C403 WeakPolarHBondContact CB-SG 3.42Å; C356-C403 PolarHBondContact O-SG 2.98Å; C356-C403 VanDerWaalsContact SG-CA 3.51Å; C356-C403 WeakPolarHBondContact SG-CB 3.33Å; C356-C403 CovalentContact SG-SG 2.03Å; C356-C403 PolarHBondContact SG-SG 2.82Å
357	R	78	Confident	64.7	Low	205 Å²	205	118.2 Å²	118.2	77%	0.774	54%	0.537	S	S	*	.			trans	-119.4	134.5	175.4	-167.5	174.4	-177.5	173.9	1.6	109.9
358	E	65.2	Low	61.6	Low	34 Å²	34	116.9 Å²	116.9	16%	0.159	55%	0.549	C	S	.	.			trans	-68.6	140.7	174.5	-78	178.9	154.9	0	0	112.4	R338 R347 Q351 S360 C403	R338-E358 IonicContact CZ-OE1 3.07Å; R338-E358 IonicContact NE-OE1 3.31Å; R338-E358 IonicContact NH2-OE1 2.89Å; R338-E358 PolarHBondContact NH2-OE1 2.99Å; R347-E358 IonicContact CZ-OE1 3.91Å; R347-E358 IonicContact CZ-OE2 3.27Å; R347-E358 IonicContact NE-OE1 2.73Å; R347-E358 PolarHBondContact NE-OE1 2.93Å; R347-E358 IonicContact NE-OE2 3.44Å; R347-E358 PolarHBondContact NE-OE2 2.82Å; R347-E358 VanDerWaalsContact NH2-CD 3.27Å; R347-E358 IonicContact NH2-OE1 2.89Å; R347-E358 PolarHBondContact NH2-OE1 2.76Å; R347-E358 IonicContact NH2-OE2 3.81Å; R347-E358 PolarHBondContact NH2-OE2 3.36Å; Q351-E358 PolarHBondContact NE2-OE2 2.67Å; E358-S360 PolarHBondContact O-N 2.88Å; E358-C403 HydrophobicContact CG-CB 4.28Å
359	S	60.7	Low	58.6	Low	89 Å²	89	121.6 Å²	121.6	62%	0.622	58%	0.581	S	S	*	*			trans	-63.5	103.2	161	57.3	0	0	0	0	108.5	T361	S359-T361 PolarHBondContact O-N 3.23Å; S359-T361 VanDerWaalsContact O-N 3.15Å
360	S	48.3	Very low	55.7	Low	95 Å²	95	126.3 Å²	126.3	66%	0.664	61%	0.614	S	S	*	*			trans	-49.3	123.6	172.8	57.8	0	0	0	0	110	E358 K362	E358-S360 PolarHBondContact O-N 2.88Å; S360-K362 PolarHBondContact O-N 3.31Å; S360-K362 VanDerWaalsContact O-N 3.08Å
361	T	38.7	Very low	53	Low	129 Å²	129	131.6 Å²	131.6	79%	0.791	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-40.7	111.7	174.4	-21.7	0	0	0	0	110.8	S359 R363	S359-T361 PolarHBondContact O-N 3.23Å; S359-T361 VanDerWaalsContact O-N 3.15Å; T361-R363 PolarHBondContact O-N 3.11Å
362	K	33.4	Very low	50.2	Low	200 Å²	200	140.3 Å²	140.3	87%	0.87	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	34.7	80.6	165.1	-62.7	-177.7	179.8	178.3	0	115.7	S360 R364	S360-K362 PolarHBondContact O-N 3.31Å; S360-K362 VanDerWaalsContact O-N 3.08Å; K362-R364 PolarHBondContact O-N 3.25Å
363	R	34.3	Very low	47.5	Very low	237 Å²	237	147.3 Å²	147.3	89%	0.894	70%	0.702	S	S	*	*			trans	-68.3	101.5	161.1	-151.1	177.1	-168.7	-176.5	3.4	108.1	T361 E365	T361-R363 PolarHBondContact O-N 3.11Å; R363-E365 PolarHBondContact O-N 3.45Å
364	R	29.6	Very low	44.7	Very low	230 Å²	230	155 Å²	155	87%	0.868	73%	0.729	S	S	*	*			trans	-25.1	125.9	160.3	-96.2	172	153.2	160.6	-7	110.8	K362 R366	K362-R364 PolarHBondContact O-N 3.25Å; R364-R366 PolarHBondContact O-N 2.9Å; R364-R366 VanDerWaalsContact O-N 3.08Å
365	E	27.7	Very low	41.8	Very low	195 Å²	195	161.1 Å²	161.1	91%	0.911	75%	0.754	S	S	*	*			trans	-23.9	108.5	165.9	-65.1	171.7	148	0	0	112.2	R363	R363-E365 PolarHBondContact O-N 3.45Å
366	R	26.6	Very low	39.2	Very low	243 Å²	243	161.7 Å²	161.7	92%	0.917	76%	0.758	S	S	*	*			trans	-132.4	110.5	156.9	-84.2	-168	171.4	155.8	-2.1	109.3	R364	R364-R366 PolarHBondContact O-N 2.9Å; R364-R366 VanDerWaalsContact O-N 3.08Å
367	K	26.6	Very low	36.6	Very low	201 Å²	201	165.9 Å²	165.9	87%	0.874	79%	0.788	S	S	*	*			trans	-30.9	135	174.5	-69.4	173.1	174.5	177.2	0	113.1	T369	K367-T369 PolarHBondContact O-N 3.13Å
368	S	25.9	Very low	34.3	Very low	110 Å²	110	164.4 Å²	164.4	77%	0.769	79%	0.787	S	S	*	*			trans	-30.9	114.7	160.7	-177.7	0	0	0	0	112.4
369	T	27.1	Very low	32.5	Very low	138 Å²	138	171.1 Å²	171.1	85%	0.847	82%	0.823	S	S	*	*			trans	-132.5	95.5	146.2	36.8	0	0	0	0	107.9	K367 S371	K367-T369 PolarHBondContact O-N 3.13Å; T369-S371 PolarHBondContact O-N 2.72Å; T369-S371 VanDerWaalsContact O-N 3.11Å
370	S	30.7	Very low	31.2	Very low	104 Å²	104	172.4 Å²	172.4	73%	0.727	83%	0.832	S	S	*	*			trans	-58.4	100.9	162.1	54.2	0	0	0	0	109.5
371	S	33.4	Very low	30.1	Very low	115 Å²	115	177 Å²	177	80%	0.804	84%	0.84	S	S	*	*			trans	175.1	85.9	153.7	-85.5	0	0	0	0	110.6	T369	T369-S371 PolarHBondContact O-N 2.72Å; T369-S371 VanDerWaalsContact O-N 3.11Å
372	R	32.6	Very low	29.4	Very low	238 Å²	238	177.5 Å²	177.5	90%	0.898	84%	0.838	S	S	*	*	S	Bend	trans	-170.7	-1.2	145.4	-120.7	172.9	171.1	153.3	-2.9	118
373	R	32.3	Very low	29.2	Very low	240 Å²	240	175.4 Å²	175.4	91%	0.906	83%	0.831	S	S	*	*	G	3₁₀ helix	trans	-91.3	5	178.3	-131.7	-179.7	-65	160.3	2	115.4	F375	R373-F375 PolarHBondContact O-N 3.48Å
374	Y	28.1	Very low	28.9	Very low	211 Å²	211	170.6 Å²	170.6	83%	0.827	83%	0.828	S	S	*	*	G	3₁₀ helix	trans	-73.4	-2.1	171.9	-158.6	-102.4	0	0	0	113.5
375	F	28.7	Very low	28.6	Very low	185 Å²	185	167.4 Å²	167.4	81%	0.811	83%	0.828	S	S	*	*	G	3₁₀ helix	trans	-107	-0.8	-168.8	-153.2	-99.5	0	0	0	116.2	R373	R373-F375 PolarHBondContact O-N 3.48Å
376	M	30.4	Very low	28.7	Very low	182 Å²	182	165.8 Å²	165.8	90%	0.897	83%	0.825	S	S	*	*	S	Bend	trans	-115.2	0.1	178.2	-87.8	-164.9	-179	0	0	115.9
377	S	30.9	Very low	28.6	Very low	102 Å²	102	161.9 Å²	161.9	71%	0.713	82%	0.818	S	S	*	*	S	Bend	trans	-94	13.9	172.4	59.6	0	0	0	0	114
378	K	28.9	Very low	28.6	Very low	174 Å²	174	160 Å²	160	76%	0.757	82%	0.817	S	S	*	*	S	Bend	trans	-115.3	15.1	-176.6	-129.7	-178.8	-175.4	-175.2	0	116.2
379	L	28.9	Very low	28.5	Very low	176 Å²	176	160 Å²	160	92%	0.921	82%	0.817	S	S	*	*	S	Bend	trans	-123.9	64.6	166.1	-96	111.7	0	0	0	110.5
380	S	32.1	Very low	28.5	Very low	115 Å²	115	162.3 Å²	162.3	80%	0.804	82%	0.818	S	S	*	*			trans	-171.3	69.5	151.8	-174	0	0	0	0	107.6
381	K	24.8	Very low	28.1	Very low	192 Å²	192	166.9 Å²	166.9	84%	0.835	83%	0.827	S	S	*	*			trans	-139.7	97.6	165.3	-87.6	-168.4	176.5	-175.3	0	106.1
382	N	25.7	Very low	27.8	Very low	140 Å²	140	168.5 Å²	168.5	75%	0.749	83%	0.826	S	S	*	*			trans	174.6	128.2	157.1	-92.8	11.4	0	0	0	103.2
383	E	28.8	Very low	27.4	Very low	155 Å²	155	162.5 Å²	162.5	72%	0.724	82%	0.82	S	S	*	*			cis	-172.1	165.3	13	-129.3	164.9	165.7	0	0	107.2
384	T	28.3	Very low	27	Very low	136 Å²	136	157.4 Å²	157.4	83%	0.834	82%	0.816	S	S	*	*			trans	83.6	107.7	161.2	56.4	0	0	0	0	120.5
385	N	23.5	Very low	27	Very low	163 Å²	163	156.2 Å²	156.2	87%	0.872	82%	0.818	S	S	*	*			trans	-60.3	140.7	158.8	-53.6	-59.6	0	0	0	111.7
386	L	29.8	Very low	27	Very low	161 Å²	161	152.7 Å²	152.7	84%	0.843	82%	0.816	S	S	*	*			trans	-158.7	119.9	130.4	-156.6	66.1	0	0	0	111.1
387	E	23.8	Very low	27.3	Very low	162 Å²	162	149.3 Å²	149.3	76%	0.757	81%	0.81	S	S	*	*			trans	-22.5	123.7	168	-65.8	157.7	163.6	0	0	118.4
388	N	26.1	Very low	27.8	Very low	162 Å²	162	149.5 Å²	149.5	87%	0.866	81%	0.812	S	S	*	*				-174.3	111	108.7	-97.8	-23.8	0	0	0	110.8
389	S	24.2	Very low	28.3	Very low	109 Å²	109	149.2 Å²	149.2	76%	0.762	82%	0.818	S	S	*	*			trans	-77.4	110.9	175.2	48.1	0	0	0	0	111.1
390	H	26.1	Very low	29.2	Very low	187 Å²	187	145.4 Å²	145.4	87%	0.866	80%	0.803	S	S	*	*			trans	-128.4	116.9	147.1	-93.2	-73.2	0	0	0	107.9	I392	H390-I392 PolarHBondContact O-N 2.86Å; H390-I392 VanDerWaalsContact O-N 3.16Å
391	E	22.7	Very low	30.4	Very low	199 Å²	199	143.5 Å²	143.5	93%	0.93	79%	0.79	S	S	*	*			trans	-56.2	109.5	-178	-68.4	168.4	143.2	0	0	111.1
392	I	26.8	Very low	32.6	Very low	149 Å²	149	136.1 Å²	136.1	76%	0.764	76%	0.763	S	S	*	*			trans	-114.5	116.3	151.3	-63.5	176.4	0	0	0	104.8	H390 T394	H390-I392 PolarHBondContact O-N 2.86Å; H390-I392 VanDerWaalsContact O-N 3.16Å; I392-T394 PolarHBondContact O-N 2.83Å
393	S	24.3	Very low	34.9	Very low	113 Å²	113	129.9 Å²	129.9	79%	0.79	73%	0.73	S	S	*	*			trans	-51.7	93.4	174.2	47.1	0	0	0	0	110.8	E395	S393-E395 PolarHBondContact O-N 3.18Å; S393-E395 VanDerWaalsContact O-N 3.14Å
394	T	24.5	Very low	37	Very low	133 Å²	133	125 Å²	125	82%	0.816	71%	0.713	S	S	*	*			trans	-71.3	98.4	161	34	0	0	0	0	107.7	I392 S396	I392-T394 PolarHBondContact O-N 2.83Å; T394-S396 VanDerWaalsContact C-N 3.29Å; T394-S396 PolarHBondContact O-N 3.48Å
395	E	27.3	Very low	39	Very low	186 Å²	186	123.2 Å²	123.2	87%	0.869	70%	0.698	S	S	*	*			trans	-53.9	100	154.1	-77.6	178.1	155.9	0	0	107.7	S393 S397	S393-E395 PolarHBondContact O-N 3.18Å; S393-E395 VanDerWaalsContact O-N 3.14Å; E395-S397 VanDerWaalsContact C-N 3.28Å; E395-S397 PolarHBondContact O-N 2.85Å
396	S	30.4	Very low	41.3	Very low	110 Å²	110	118.6 Å²	118.6	77%	0.769	68%	0.679	S	S	*	*			trans	-62.7	95.4	163.3	52.2	0	0	0	0	107.4	T394 S398	T394-S396 VanDerWaalsContact C-N 3.29Å; T394-S396 PolarHBondContact O-N 3.48Å; S396-S398 PolarHBondContact O-N 2.52Å
397	S	36	Very low	43.5	Very low	111 Å²	111	115.8 Å²	115.8	78%	0.776	67%	0.67	S	S	*	*			trans	-56.1	98.2	169.7	56.4	0	0	0	0	109	E395 L399	E395-S397 VanDerWaalsContact C-N 3.28Å; E395-S397 PolarHBondContact O-N 2.85Å; S397-L399 PolarHBondContact O-N 3.15Å
398	S	41.9	Very low	46.3	Very low	107 Å²	107	114.8 Å²	114.8	75%	0.748	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-53.4	126.6	165.7	48.3	0	0	0	0	109.2	S396	S396-S398 PolarHBondContact O-N 2.52Å
399	L	39.5	Very low	49.3	Very low	168 Å²	168	109.1 Å²	109.1	88%	0.88	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-49.2	127.7	173.5	-89.7	84.6	0	0	0	110	S397	S397-L399 PolarHBondContact O-N 3.15Å
400	P	46.4	Very low	52.5	Low	95 Å²	95	107.8 Å²	107.8	62%	0.617	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-73.4	165.6	-173.6	28.7	-32	0	0	0	113
401	S	57.7	Low	55.6	Low	76 Å²	76	98.9 Å²	98.9	53%	0.531	58%	0.579	S	S	.	*			trans	-82.5	-177.6	-159.7	47.7	0	0	0	0	114	D405	S401-D405 WeakPolarHBondContact CB-OD2 3.16Å; S401-D405 PolarHBondContact OG-OD2 3.42Å
402	S	71.6	Confident	59	Low	36 Å²	36	96 Å²	96	25%	0.252	56%	0.559	S	S	.	*			trans	-48.8	140.9	-177.5	-177.2	0	0	0	0	112.6	S404 D405	S402-S404 PolarHBondContact O-N 3.36Å; S402-S404 PolarHBondContact OG-N 3.45Å; S402-D405 PolarHBondContact O-N 3.26Å
403	C	73.9	Confident	62	Low	9 Å²	9	93.4 Å²	93.4	6%	0.061	55%	0.547	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-1.9	173.5	-53.1	0	0	0	0	114.6	R338 C356 E358	R338-C403 PolarHBondContact NH1-O 3.42Å; C356-C403 HydrophobicContact CB-CB 4.13Å; C356-C403 WeakPolarHBondContact CB-SG 3.42Å; C356-C403 PolarHBondContact O-SG 2.98Å; C356-C403 VanDerWaalsContact SG-CA 3.51Å; C356-C403 WeakPolarHBondContact SG-CB 3.33Å; C356-C403 CovalentContact SG-SG 2.03Å; C356-C403 PolarHBondContact SG-SG 2.82Å; E358-C403 HydrophobicContact CG-CB 4.28Å
404	S	71.6	Confident	65.1	Low	54 Å²	54	90.2 Å²	90.2	38%	0.378	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-6.3	179.7	-63.9	0	0	0	0	114.8	R338 S402 S406	R338-S404 VanDerWaalsContact NH1-CA 3.32Å; R338-S404 PolarHBondContact NH1-OG 2.78Å; S402-S404 PolarHBondContact O-N 3.36Å; S402-S404 PolarHBondContact OG-N 3.45Å; S404-S406 PolarHBondContact O-N 2.96Å; S404-S406 VanDerWaalsContact O-N 3.17Å
405	D	70.8	Confident	68.1	Low	97 Å²	97	86.3 Å²	86.3	52%	0.519	50%	0.495	S	S	.	.	S	Bend	trans	-72.7	-9.4	-171.1	-63.2	-17.1	0	0	0	113.8	S401 S402	S401-D405 WeakPolarHBondContact CB-OD2 3.16Å; S401-D405 PolarHBondContact OG-OD2 3.42Å; S402-D405 PolarHBondContact O-N 3.26Å
406	S	72.7	Confident	70.9	Confident	67 Å²	67	78.5 Å²	78.5	47%	0.469	46%	0.464	S	S	.	.			trans	-144	81.1	179.1	-63.4	0	0	0	0	112.2	S404 N408 L409	S404-S406 PolarHBondContact O-N 2.96Å; S404-S406 VanDerWaalsContact O-N 3.17Å; S406-N408 VanDerWaalsContact C-N 3.3Å; S406-N408 PolarHBondContact O-N 3.39Å; S406-L409 VanDerWaalsContact O-CB 3.32Å; S406-L409 WeakPolarHBondContact O-CB 3.45Å; S406-L409 PolarHBondContact O-N 3.05Å
407	P	74.6	Confident	73.4	Confident	101 Å²	101	79.4 Å²	79.4	66%	0.656	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-25.6	-175.6	26.5	-34.3	0	0	0	114
408	N	83.3	Confident	75.6	Confident	142 Å²	142	81 Å²	81	76%	0.759	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-1.8	179.6	-67.3	-27.8	0	0	0	113.6	S406 K410	S406-N408 VanDerWaalsContact C-N 3.3Å; S406-N408 PolarHBondContact O-N 3.39Å; N408-K410 PolarHBondContact O-N 2.73Å
409	L	89.2	Confident	77.8	Confident	43 Å²	43	77.8 Å²	77.8	23%	0.225	44%	0.44	C	S	.	.			trans	-63.7	131.1	-178.6	-169.9	68.3	0	0	0	110.2	W350 L354 S406 D413 I414	W350-L409 HydrophobicContact CH2-CG 4.46Å; W350-L409 VanDerWaalsContact CH2-O 3.27Å; W350-L409 WeakPolarHBondContact CH2-O 3.41Å; W350-L409 HydrophobicContact CZ2-CB 4.15Å; W350-L409 HydrophobicContact CZ2-CD2 4.09Å; W350-L409 HydrophobicContact CZ2-CG 4.22Å; L354-L409 HydrophobicContact CD1-CD2 4.08Å; L354-L409 HydrophobicContact CD2-CD2 4.21Å; S406-L409 VanDerWaalsContact O-CB 3.32Å; S406-L409 WeakPolarHBondContact O-CB 3.45Å; S406-L409 PolarHBondContact O-N 3.05Å; L409-D413 HydrophobicContact CD1-CB 3.59Å; L409-I414 HydrophobicContact CD1-CG1 4.34Å; L409-I414 HydrophobicContact CD2-CD1 3.76Å; L409-I414 HydrophobicContact CD2-CG1 3.84Å; L409-I414 HydrophobicContact CG-CD1 4.04Å; L409-I414 HydrophobicContact CG-CG1 3.98Å
410	K	91.5	Very high	80.1	Confident	80 Å²	80	76.8 Å²	76.8	35%	0.348	43%	0.428	S	S	.	.	B	Isolated β-bridge	trans	-112.2	160.8	178.3	-58.8	-52.7	-162.8	155.7	0	111	S335 L336 N408 R412 D413	S335-K410 VanDerWaalsContact O-CD 3.3Å; S335-K410 WeakPolarHBondContact O-CD 3.36Å; S335-K410 WeakPolarHBondContact O-CE 3.44Å; S335-K410 PolarHBondContact O-NZ 3.36Å; L336-K410 CarbonylContact O-C 3.58Å; L336-K410 WeakPolarHBondContact O-CA 3.28Å; N408-K410 PolarHBondContact O-N 2.73Å; K410-R412 HydrophobicContact CB-CG 4.29Å; K410-R412 PolarHBondContact O-N 2.8Å; K410-D413 PolarHBondContact N-OD2 3.25Å; K410-D413 WeakPolarHBondContact O-CB 3.38Å; K410-D413 PolarHBondContact O-N 2.92Å
411	L	92.2	Very high	82.2	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-57.3	-32.8	175.5	-76.7	-175.5	0	0	0	112.7	Y333 L336 F346 Y349 W350 L353 D413 I414 L415	Y333-L411 HydrophobicContact CD1-CD1 4.11Å; Y333-L411 HydrophobicContact CD2-CD1 4.43Å; Y333-L411 HydrophobicContact CE1-CD1 3.72Å; Y333-L411 HydrophobicContact CE2-CD1 4.07Å; Y333-L411 HydrophobicContact CG-CD1 4.45Å; Y333-L411 WeakPolarHBondContact O-CD1 3.18Å; L336-L411 HydrophobicContact CB-CD1 4.2Å; L336-L411 PolarHBondContact O-N 3.24Å; F346-L411 HydrophobicContact CE2-CD1 3.99Å; F346-L411 HydrophobicContact CZ-CD1 3.77Å; F346-L411 HydrophobicContact CZ-CD2 4.47Å; F346-L411 HydrophobicContact CZ-CG 4.13Å; Y349-L411 HydrophobicContact CE1-CD1 4.14Å; Y349-L411 HydrophobicContact CE1-CD2 3.88Å; W350-L411 HydrophobicContact CE3-CD2 4.13Å; W350-L411 HydrophobicContact CZ3-CD2 3.7Å; W350-L411 HydrophobicContact CZ3-CG 4.03Å; L353-L411 HydrophobicContact CD2-CD2 3.58Å; L411-D413 PolarHBondContact O-N 3.36Å; L411-I414 HydrophobicContact CD2-CD1 4.49Å; L411-I414 PolarHBondContact O-N 2.83Å; L411-I414 VanDerWaalsContact O-N 3.13Å; L411-L415 HydrophobicContact CB-CD1 4.16Å; L411-L415 HydrophobicContact CD2-CD1 4.38Å; L411-L415 WeakPolarHBondContact O-CB 3.25Å; L411-L415 PolarHBondContact O-N 2.86Å
412	R	92.1	Very high	83.7	Confident	138 Å²	138	70.6 Å²	70.6	52%	0.521	38%	0.383	S	S	.	.	H	α-helix	trans	-55.3	-36.3	173.6	86.7	179.9	59.2	-177	-5	113.3	L334 K410 I414 G416	L334-R412 HydrophobicContact CB-CB 4.01Å; L334-R412 PolarHBondContact O-N 3.38Å; K410-R412 HydrophobicContact CB-CG 4.29Å; K410-R412 PolarHBondContact O-N 2.8Å; R412-I414 VanDerWaalsContact C-N 3.29Å; R412-G416 WeakPolarHBondContact O-CA 3.33Å; R412-G416 PolarHBondContact O-N 2.05Å; R412-G416 VanDerWaalsContact O-N 3.15Å
413	D	90.8	Very high	84.5	Confident	95 Å²	95	70.3 Å²	70.3	51%	0.508	38%	0.383	S	S	.	.	H	α-helix	trans	-77.5	-24.1	-174.5	-51.7	-43.5	0	0	0	110.6	L409 K410 L411	L409-D413 HydrophobicContact CD1-CB 3.59Å; K410-D413 PolarHBondContact N-OD2 3.25Å; K410-D413 WeakPolarHBondContact O-CB 3.38Å; K410-D413 PolarHBondContact O-N 2.92Å; L411-D413 PolarHBondContact O-N 3.36Å
414	I	88.6	Confident	85.4	Confident	47 Å²	47	71.3 Å²	71.3	24%	0.241	39%	0.386	C	S	.	.	H	α-helix	trans	-95	-47.3	-177.1	-53.7	167.4	0	0	0	111.4	W350 L353 L354 L409 L411 R412	W350-I414 HydrophobicContact CH2-CD1 3.57Å; W350-I414 HydrophobicContact CZ2-CD1 3.83Å; W350-I414 HydrophobicContact CZ3-CD1 4Å; L353-I414 HydrophobicContact CD1-CG2 4.21Å; L353-I414 HydrophobicContact CD2-CB 4.08Å; L353-I414 HydrophobicContact CD2-CD1 3.89Å; L353-I414 HydrophobicContact CD2-CG2 3.54Å; L353-I414 HydrophobicContact CG-CG2 3.66Å; L354-I414 HydrophobicContact CD1-CD1 4.44Å; L354-I414 HydrophobicContact CD2-CD1 3.89Å; L354-I414 HydrophobicContact CD2-CG1 4.16Å; L354-I414 HydrophobicContact CD2-CG2 4.25Å; L354-I414 HydrophobicContact CG-CD1 4.23Å; L409-I414 HydrophobicContact CD1-CG1 4.34Å; L409-I414 HydrophobicContact CD2-CD1 3.76Å; L409-I414 HydrophobicContact CD2-CG1 3.84Å; L409-I414 HydrophobicContact CG-CD1 4.04Å; L409-I414 HydrophobicContact CG-CG1 3.98Å; L411-I414 HydrophobicContact CD2-CD1 4.49Å; L411-I414 PolarHBondContact O-N 2.83Å; L411-I414 VanDerWaalsContact O-N 3.13Å; R412-I414 VanDerWaalsContact C-N 3.29Å
415	L	88.8	Confident	86.5	Confident	51 Å²	51	68.8 Å²	68.8	27%	0.267	37%	0.368	S	S	.	.	H	α-helix	trans	-81.7	-19.5	-176.7	-59.6	176.4	0	0	0	112.5	Y333 L334 L353 L411 F419	Y333-L415 HydrophobicContact CE1-CD1 3.94Å; L334-L415 HydrophobicContact CD2-CB 4.44Å; L334-L415 HydrophobicContact CD2-CD1 4.11Å; L353-L415 HydrophobicContact CD1-CD2 3.89Å; L353-L415 HydrophobicContact CD2-CD2 4.36Å; L411-L415 HydrophobicContact CB-CD1 4.16Å; L411-L415 HydrophobicContact CD2-CD1 4.38Å; L411-L415 WeakPolarHBondContact O-CB 3.25Å; L411-L415 PolarHBondContact O-N 2.86Å; L415-F419 HydrophobicContact CB-CB 4.25Å; L415-F419 HydrophobicContact CB-CD2 4.15Å; L415-F419 HydrophobicContact CB-CG 4.49Å; L415-F419 HydrophobicContact CD1-CD2 3.67Å; L415-F419 HydrophobicContact CD1-CE2 3.83Å; L415-F419 HydrophobicContact CD1-CG 4.4Å; L415-F419 HydrophobicContact CG-CD2 4.42Å
416	G	85.9	Confident	87.7	Confident	22 Å²	22	65 Å²	65	23%	0.227	35%	0.348	C	S	.	.			trans	75	-178.9	178.6	0	0	0	0	0	114.3	R412 D418	R412-G416 WeakPolarHBondContact O-CA 3.33Å; R412-G416 PolarHBondContact O-N 2.05Å; R412-G416 VanDerWaalsContact O-N 3.15Å; G416-D418 VanDerWaalsContact C-N 3.32Å; G416-D418 PolarHBondContact O-N 2.92Å
417	P	82.9	Confident	88.8	Confident	129 Å²	129	62.4 Å²	62.4	84%	0.838	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-21.3	-176.5	29.9	-35.5	0	0	0	113.8	F419	P417-F419 PolarHBondContact O-N 2.95Å
418	D	82.7	Confident	89.8	Confident	145 Å²	145	57.6 Å²	57.6	78%	0.775	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	10.7	-177.8	-65.4	-40.3	0	0	0	113.4	G416 K420	G416-D418 VanDerWaalsContact C-N 3.32Å; G416-D418 PolarHBondContact O-N 2.92Å; D418-K420 PolarHBondContact O-N 3.26Å
419	F	88	Confident	90.5	Very high	39 Å²	39	50.9 Å²	50.9	17%	0.171	26%	0.261	C	S	.	.			trans	-55.7	130.7	176.2	172.5	-102	0	0	0	111	T330 Y333 L334 L415 P417	T330-F419 HydrophobicContact CG2-CD1 4.1Å; T330-F419 HydrophobicContact CG2-CE1 4.25Å; Y333-F419 HydrophobicContact CD1-CE1 4Å; Y333-F419 HydrophobicContact CD1-CE2 4.31Å; Y333-F419 AromaticContact CD1-CZ 3.64Å; Y333-F419 HydrophobicContact CD1-CZ 3.64Å; Y333-F419 HydrophobicContact CE1-CE1 4.45Å; Y333-F419 AromaticContact CE1-CE2 3.95Å; Y333-F419 HydrophobicContact CE1-CE2 3.95Å; Y333-F419 AromaticContact CE1-CZ 3.66Å; Y333-F419 HydrophobicContact CE1-CZ 3.66Å; L334-F419 HydrophobicContact CD1-CD1 4.18Å; L334-F419 HydrophobicContact CD2-CB 4.18Å; L334-F419 HydrophobicContact CD2-CD1 3.83Å; L334-F419 HydrophobicContact CD2-CE1 4.36Å; L334-F419 HydrophobicContact CD2-CG 3.92Å; L334-F419 HydrophobicContact CG-CD1 4.15Å; L415-F419 HydrophobicContact CB-CB 4.25Å; L415-F419 HydrophobicContact CB-CD2 4.15Å; L415-F419 HydrophobicContact CB-CG 4.49Å; L415-F419 HydrophobicContact CD1-CD2 3.67Å; L415-F419 HydrophobicContact CD1-CE2 3.83Å; L415-F419 HydrophobicContact CD1-CG 4.4Å; L415-F419 HydrophobicContact CG-CD2 4.42Å; P417-F419 PolarHBondContact O-N 2.95Å
420	K	86.3	Confident	90.8	Very high	146 Å²	146	49 Å²	49	64%	0.635	25%	0.251	S	S	*	.			trans	-114.2	122	176.4	-69.2	176.8	178.9	178.4	0	109	D418	D418-K420 PolarHBondContact O-N 3.26Å
421	Q	90.4	Very high	91.1	Very high	28 Å²	28	45.2 Å²	45.2	13%	0.131	24%	0.235	C	C	.	.			trans	-57.1	138.4	171.9	-179	176.6	-9.4	0	0	110.3	I326 F329 T330 A423 I425	I326-Q421 PolarHBondContact O-OE1 2.03Å; F329-Q421 HydrophobicContact CD1-CG 4.15Å; F329-Q421 HydrophobicContact CE1-CG 4.26Å; T330-Q421 PolarHBondContact OG1-OE1 2.7Å; Q421-A423 PolarHBondContact O-N 2.9Å; Q421-I425 HydrophobicContact CG-CB 4.01Å; Q421-I425 HydrophobicContact CG-CG1 3.89Å; Q421-I425 HydrophobicContact CG-CG2 4.37Å; Q421-I425 VanDerWaalsContact NE2-CB 3.25Å
422	E	89.7	Confident	91.3	Very high	14 Å²	14	45.2 Å²	45.2	7%	0.065	24%	0.235	C	C	.	.			trans	-60.4	135.1	174.8	-170.2	-86.5	147.3	0	0	110.2	E63 R68 K424 I425	E63-E422 HydrophobicContact CB-CB 4.44Å; E63-E422 HydrophobicContact CB-CG 4.19Å; R68-E422 IonicContact CZ-OE1 2.68Å; R68-E422 IonicContact CZ-OE2 3.05Å; R68-E422 IonicContact NE-OE1 2.9Å; R68-E422 IonicContact NE-OE2 2.59Å; R68-E422 PolarHBondContact NE-OE2 3.41Å; R68-E422 VanDerWaalsContact NH2-CD 3.34Å; R68-E422 IonicContact NH2-OE1 3.73Å; R68-E422 PolarHBondContact NH2-OE1 3.49Å; R68-E422 IonicContact NH2-OE2 2.84Å; R68-E422 PolarHBondContact NH2-OE2 3.49Å; E422-K424 VanDerWaalsContact CD-N 3.26Å; E422-K424 PolarHBondContact O-N 3.04Å; E422-K424 VanDerWaalsContact O-N 3.11Å; E422-K424 WeakPolarHBondContact OE1-CB 3.32Å; E422-K424 PolarHBondContact OE1-N 2.94Å; E422-K424 VanDerWaalsContact OE1-N 3.17Å; E422-K424 PolarHBondContact OE2-N 2.92Å; E422-I425 HydrophobicContact CB-CD1 4.5Å; E422-I425 HydrophobicContact CB-CG1 3.98Å; E422-I425 WeakPolarHBondContact O-CB 3.47Å; E422-I425 WeakPolarHBondContact O-CG1 3.34Å; E422-I425 PolarHBondContact O-N 2.94Å
423	A	87.7	Confident	91.5	Very high	30 Å²	30	39.1 Å²	39.1	25%	0.248	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-29.7	-168	0	0	0	0	0	113.2	E320 A323 Q421 I425	E320-A423 HydrophobicContact CG-CB 4.21Å; A323-A423 WeakPolarHBondContact CB-O 3.31Å; Q421-A423 PolarHBondContact O-N 2.9Å; A423-I425 PolarHBondContact O-N 3.33Å
424	K	92.8	Very high	91.8	Very high	30 Å²	30	34.7 Å²	34.7	13%	0.13	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	7.8	-175.5	-55.8	-172.5	-176.3	-174.7	0	115	A165 D297 E422 Q426 F427 V428	A165-K424 HydrophobicContact CB-CD 3.61Å; D297-K424 IonicContact OD2-NZ 2.77Å; D297-K424 PolarHBondContact OD2-NZ 2.68Å; E422-K424 VanDerWaalsContact CD-N 3.26Å; E422-K424 PolarHBondContact O-N 3.04Å; E422-K424 VanDerWaalsContact O-N 3.11Å; E422-K424 WeakPolarHBondContact OE1-CB 3.32Å; E422-K424 PolarHBondContact OE1-N 2.94Å; E422-K424 VanDerWaalsContact OE1-N 3.17Å; E422-K424 PolarHBondContact OE2-N 2.92Å; K424-Q426 VanDerWaalsContact C-N 3.32Å; K424-Q426 PolarHBondContact O-N 2.05Å; K424-F427 HydrophobicContact CB-CD2 3.98Å; K424-F427 HydrophobicContact CG-CD2 4.17Å; K424-F427 PolarHBondContact O-N 2.77Å; K424-F427 VanDerWaalsContact O-N 3.14Å; K424-V428 PolarHBondContact O-N 3Å
425	I	95.4	Very high	92.2	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-62.5	-39.1	178.7	-65.6	-71.3	0	0	0	112.2	Q67 R68 A71 F329 Q421 E422 A423 F427 V428 Y429	Q67-I425 VanDerWaalsContact C-CD1 3.41Å; Q67-I425 HydrophobicContact CB-CD1 3.56Å; Q67-I425 HydrophobicContact CB-CG1 4.42Å; Q67-I425 WeakPolarHBondContact O-CD1 3.29Å; R68-I425 HydrophobicContact CB-CD1 4.43Å; R68-I425 HydrophobicContact CG-CD1 3.85Å; A71-I425 HydrophobicContact CB-CD1 3.89Å; A71-I425 HydrophobicContact CB-CG2 3.73Å; F329-I425 HydrophobicContact CD1-CG2 3.68Å; F329-I425 HydrophobicContact CE1-CD1 4.12Å; F329-I425 HydrophobicContact CE1-CG1 4.19Å; F329-I425 HydrophobicContact CE1-CG2 3.76Å; F329-I425 HydrophobicContact CG-CG2 4.08Å; F329-I425 HydrophobicContact CZ-CD1 4.17Å; F329-I425 HydrophobicContact CZ-CG2 4.25Å; Q421-I425 HydrophobicContact CG-CB 4.01Å; Q421-I425 HydrophobicContact CG-CG1 3.89Å; Q421-I425 HydrophobicContact CG-CG2 4.37Å; Q421-I425 VanDerWaalsContact NE2-CB 3.25Å; E422-I425 HydrophobicContact CB-CD1 4.5Å; E422-I425 HydrophobicContact CB-CG1 3.98Å; E422-I425 WeakPolarHBondContact O-CB 3.47Å; E422-I425 WeakPolarHBondContact O-CG1 3.34Å; E422-I425 PolarHBondContact O-N 2.94Å; A423-I425 PolarHBondContact O-N 3.33Å; I425-F427 PolarHBondContact O-N 2.72Å; I425-V428 WeakPolarHBondContact O-CB 3.41Å; I425-V428 PolarHBondContact O-N 2.9Å; I425-V428 VanDerWaalsContact O-N 3.14Å; I425-Y429 PolarHBondContact O-N 2.85Å; I425-Y429 VanDerWaalsContact O-N 3.11Å
426	Q	94.9	Very high	92.6	Very high	17 Å²	17	30 Å²	30	8%	0.079	16%	0.164	C	C	.	.	H	α-helix	trans	-56.7	-41.6	175.1	-168.6	-157.5	-53.1	0	0	111.1	A323 I326 K424 V428 Y429 D430	A323-Q426 HydrophobicContact CB-CB 4.21Å; I326-Q426 HydrophobicContact CD1-CG 4.46Å; K424-Q426 VanDerWaalsContact C-N 3.32Å; K424-Q426 PolarHBondContact O-N 2.05Å; Q426-V428 VanDerWaalsContact C-N 3.31Å; Q426-V428 PolarHBondContact O-N 3.48Å; Q426-Y429 WeakPolarHBondContact O-CB 3.31Å; Q426-Y429 PolarHBondContact O-N 2.86Å; Q426-Y429 VanDerWaalsContact O-N 3.14Å; Q426-D430 PolarHBondContact NE2-OD2 3.16Å; Q426-D430 WeakPolarHBondContact O-CB 3.19Å; Q426-D430 PolarHBondContact O-N 2.75Å
427	F	95.9	Very high	93	Very high	12 Å²	12	29.7 Å²	29.7	5%	0.053	16%	0.158	C	C	.	.	H	α-helix	trans	-68.7	-27.6	-179.6	-59.2	-62.1	0	0	0	113.6	Y164 T183 V184 I321 A323 K424 I425 A431	Y164-F427 VanDerWaalsContact O-CB 3.3Å; Y164-F427 WeakPolarHBondContact O-CB 3.5Å; T183-F427 WeakPolarHBondContact O-CD1 3.48Å; T183-F427 WeakPolarHBondContact OG1-CB 3.14Å; T183-F427 PolarHBondContact OG1-O 3.3Å; V184-F427 HydrophobicContact CG1-CB 3.91Å; V184-F427 HydrophobicContact CG1-CD1 3.89Å; V184-F427 HydrophobicContact CG1-CD2 3.46Å; V184-F427 VanDerWaalsContact CG1-CD2 3.46Å; V184-F427 HydrophobicContact CG1-CE1 4.33Å; V184-F427 HydrophobicContact CG1-CE2 3.99Å; V184-F427 HydrophobicContact CG1-CG 3.45Å; V184-F427 VanDerWaalsContact CG1-CG 3.45Å; V184-F427 HydrophobicContact CG1-CZ 4.41Å; I321-F427 HydrophobicContact CB-CE2 4.2Å; I321-F427 HydrophobicContact CB-CZ 4.4Å; I321-F427 HydrophobicContact CG2-CE1 4.35Å; I321-F427 HydrophobicContact CG2-CE2 3.62Å; I321-F427 HydrophobicContact CG2-CZ 3.36Å; A323-F427 HydrophobicContact CB-CE2 3.9Å; A323-F427 HydrophobicContact CB-CZ 4.17Å; K424-F427 HydrophobicContact CB-CD2 3.98Å; K424-F427 HydrophobicContact CG-CD2 4.17Å; K424-F427 PolarHBondContact O-N 2.77Å; K424-F427 VanDerWaalsContact O-N 3.14Å; I425-F427 PolarHBondContact O-N 2.72Å; F427-A431 VanDerWaalsContact O-CB 3.29Å; F427-A431 WeakPolarHBondContact O-CB 3.44Å; F427-A431 PolarHBondContact O-N 3.36Å
428	V	97.3	Very high	93.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-67.1	-48.6	170.4	-179.8	0	0	0	0	109.5	F47 R68 A71 M72 Y164 K424 I425 Q426 D430 A431 V432	F47-V428 HydrophobicContact CE1-CG1 4.04Å; F47-V428 HydrophobicContact CE1-CG2 4.41Å; F47-V428 HydrophobicContact CZ-CG1 4.21Å; R68-V428 HydrophobicContact CB-CG2 4.03Å; R68-V428 HydrophobicContact CG-CG2 4.07Å; A71-V428 HydrophobicContact CB-CB 4.17Å; A71-V428 HydrophobicContact CB-CG1 4Å; M72-V428 HydrophobicContact CB-CG1 4.15Å; Y164-V428 HydrophobicContact CD1-CG2 4.07Å; Y164-V428 HydrophobicContact CD2-CG2 3.68Å; Y164-V428 HydrophobicContact CE2-CG2 4.32Å; Y164-V428 HydrophobicContact CG-CB 4.45Å; Y164-V428 HydrophobicContact CG-CG2 3.58Å; K424-V428 PolarHBondContact O-N 3Å; I425-V428 WeakPolarHBondContact O-CB 3.41Å; I425-V428 PolarHBondContact O-N 2.9Å; I425-V428 VanDerWaalsContact O-N 3.14Å; Q426-V428 VanDerWaalsContact C-N 3.31Å; Q426-V428 PolarHBondContact O-N 3.48Å; V428-D430 PolarHBondContact O-N 3.36Å; V428-A431 PolarHBondContact O-N 2.79Å; V428-V432 WeakPolarHBondContact O-CG2 3.41Å; V428-V432 PolarHBondContact O-N 2.71Å; V428-V432 VanDerWaalsContact O-N 3.15Å
429	Y	96.8	Very high	94.3	Very high	1 Å²	1	16.7 Å²	16.7	0%	0.004	8%	0.081	C	C	.	.	H	α-helix	trans	-57.1	-49.4	177.2	177.5	-92.7	0	0	0	111.3	T75 E78 I326 I425 Q426 A431 V432 Y433 D484 N485 Y486	T75-Y429 HydrophobicContact CG2-CD2 3.52Å; T75-Y429 HydrophobicContact CG2-CE2 3.76Å; T75-Y429 HydrophobicContact CG2-CG 4.18Å; T75-Y429 WeakPolarHBondContact OG1-CD2 3.13Å; E78-Y429 VanDerWaalsContact OE2-CE2 3.29Å; E78-Y429 WeakPolarHBondContact OE2-CE2 3.32Å; I326-Y429 HydrophobicContact CD1-CD1 3.88Å; I326-Y429 HydrophobicContact CD1-CD2 4.05Å; I326-Y429 HydrophobicContact CD1-CG 3.63Å; I425-Y429 PolarHBondContact O-N 2.85Å; I425-Y429 VanDerWaalsContact O-N 3.11Å; Q426-Y429 WeakPolarHBondContact O-CB 3.31Å; Q426-Y429 PolarHBondContact O-N 2.86Å; Q426-Y429 VanDerWaalsContact O-N 3.14Å; Y429-A431 VanDerWaalsContact C-N 3.31Å; Y429-A431 PolarHBondContact O-N 2.86Å; Y429-V432 PolarHBondContact O-N 3.24Å; Y429-Y433 HydrophobicContact CD1-CD2 4.13Å; Y429-Y433 HydrophobicContact CD2-CD2 4.24Å; Y429-Y433 HydrophobicContact CD2-CE2 4.21Å; Y429-Y433 AromaticContact CE1-CD2 3.71Å; Y429-Y433 HydrophobicContact CE1-CD2 3.71Å; Y429-Y433 AromaticContact CE1-CE2 3.85Å; Y429-Y433 HydrophobicContact CE1-CE2 3.85Å; Y429-Y433 HydrophobicContact CE1-CG 4.49Å; Y429-Y433 AromaticContact CE2-CD2 3.78Å; Y429-Y433 HydrophobicContact CE2-CD2 3.78Å; Y429-Y433 AromaticContact CE2-CE2 3.35Å; Y429-Y433 HydrophobicContact CE2-CE2 3.35Å; Y429-Y433 HydrophobicContact CG-CD2 4.36Å; Y429-Y433 AromaticContact CZ-CD2 3.47Å; Y429-Y433 VanDerWaalsContact CZ-CD2 3.47Å; Y429-Y433 AromaticContact CZ-CE2 3.12Å; Y429-Y433 AromaticContact CZ-CZ 3.9Å; Y429-Y433 PolarHBondContact O-N 2.82Å; Y429-Y433 WeakPolarHBondContact OH-CE2 3.39Å; Y429-Y433 PolarHBondContact OH-OH 2.79Å; Y429-D484 HydrophobicContact CE1-CB 3.83Å; Y429-N485 WeakPolarHBondContact OH-CB 3.5Å; Y429-Y486 HydrophobicContact CD1-CD2 4.41Å; Y429-Y486 HydrophobicContact CD2-CE2 4.37Å; Y429-Y486 AromaticContact CE1-CD2 3.69Å; Y429-Y486 HydrophobicContact CE1-CD2 3.69Å; Y429-Y486 AromaticContact CE1-CE2 3.79Å; Y429-Y486 HydrophobicContact CE1-CE2 3.79Å; Y429-Y486 HydrophobicContact CE2-CD2 4.41Å; Y429-Y486 AromaticContact CE2-CE2 3.67Å; Y429-Y486 HydrophobicContact CE2-CE2 3.67Å; Y429-Y486 AromaticContact CZ-CD2 3.74Å; Y429-Y486 AromaticContact CZ-CE2 3.35Å; Y429-Y486 WeakPolarHBondContact OH-CE2 3.45Å
430	D	96	Very high	94.6	Very high	5 Å²	5	15.9 Å²	15.9	3%	0.027	8%	0.078	C	C	.	.	H	α-helix	trans	-60	-38.7	177.4	-66.5	-20.4	0	0	0	112.2	T183 Q426 V428 Y433 A434 V490	T183-D430 HydrophobicContact CG2-CB 3.76Å; Q426-D430 PolarHBondContact NE2-OD2 3.16Å; Q426-D430 WeakPolarHBondContact O-CB 3.19Å; Q426-D430 PolarHBondContact O-N 2.75Å; V428-D430 PolarHBondContact O-N 3.36Å; D430-Y433 PolarHBondContact O-N 2.8Å; D430-A434 VanDerWaalsContact O-CB 3.31Å; D430-A434 WeakPolarHBondContact O-CB 3.05Å; D430-A434 PolarHBondContact O-N 3.46Å; D430-V490 HydrophobicContact CB-CG1 4.27Å; D430-V490 HydrophobicContact CB-CG2 3.9Å; D430-V490 VanDerWaalsContact CG-CG2 3.49Å; D430-V490 WeakPolarHBondContact OD1-CG2 3.22Å
431	A	97.3	Very high	95	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-67.7	-40	-179.4	0	0	0	0	0	111.8	V139 I162 T183 F427 V428 Y429 A434 F435	V139-A431 HydrophobicContact CG1-CB 4.02Å; I162-A431 HydrophobicContact CB-CB 4.26Å; I162-A431 HydrophobicContact CG2-CB 3.67Å; T183-A431 HydrophobicContact CG2-CB 4Å; F427-A431 VanDerWaalsContact O-CB 3.29Å; F427-A431 WeakPolarHBondContact O-CB 3.44Å; F427-A431 PolarHBondContact O-N 3.36Å; V428-A431 PolarHBondContact O-N 2.79Å; Y429-A431 VanDerWaalsContact C-N 3.31Å; Y429-A431 PolarHBondContact O-N 2.86Å; A431-A434 PolarHBondContact O-N 3.45Å; A431-F435 WeakPolarHBondContact O-CD2 3.37Å; A431-F435 PolarHBondContact O-N 2.61Å
432	V	97.4	Very high	95.2	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-68.4	-43.3	175.8	-178	0	0	0	0	110.2	L43 M72 T75 L76 I79 V139 V428 Y429 A434 F435 A436	L43-V432 HydrophobicContact CD1-CG1 4.41Å; M72-V432 HydrophobicContact CB-CG2 4.47Å; M72-V432 HydrophobicContact CG-CG2 3.9Å; T75-V432 HydrophobicContact CG2-CB 3.69Å; T75-V432 HydrophobicContact CG2-CG1 3.76Å; T75-V432 HydrophobicContact CG2-CG2 4.42Å; L76-V432 HydrophobicContact CD2-CG1 4.37Å; L76-V432 HydrophobicContact CG-CG1 4.46Å; I79-V432 HydrophobicContact CD1-CG1 3.6Å; V139-V432 HydrophobicContact CG1-CG2 4.39Å; V139-V432 HydrophobicContact CG2-CG2 4.08Å; V428-V432 WeakPolarHBondContact O-CG2 3.41Å; V428-V432 PolarHBondContact O-N 2.71Å; V428-V432 VanDerWaalsContact O-N 3.15Å; Y429-V432 PolarHBondContact O-N 3.24Å; V432-A434 VanDerWaalsContact C-N 3.31Å; V432-A434 PolarHBondContact O-N 3.28Å; V432-F435 PolarHBondContact O-N 3.45Å; V432-A436 PolarHBondContact O-N 2.95Å
433	Y	96.7	Very high	95.4	Very high	9 Å²	9	10 Å²	10	4%	0.035	6%	0.055	C	C	.	.	H	α-helix	trans	-64.4	-33.1	175.8	-99.2	-88.9	0	0	0	113.3	T75 I79 L85 Y429 D430 A436 S437 N485	T75-Y433 HydrophobicContact CG2-CD2 3.46Å; T75-Y433 VanDerWaalsContact CG2-CD2 3.46Å; T75-Y433 HydrophobicContact CG2-CE2 3.57Å; I79-Y433 HydrophobicContact CD1-CD2 4.13Å; I79-Y433 HydrophobicContact CD1-CE2 4.1Å; I79-Y433 HydrophobicContact CD1-CG 4.45Å; I79-Y433 HydrophobicContact CG1-CD2 4.32Å; I79-Y433 HydrophobicContact CG1-CE1 4.18Å; I79-Y433 HydrophobicContact CG1-CE2 3.83Å; L85-Y433 HydrophobicContact CD2-CD1 4.28Å; L85-Y433 HydrophobicContact CD2-CE1 3.92Å; Y429-Y433 HydrophobicContact CD1-CD2 4.13Å; Y429-Y433 HydrophobicContact CD2-CD2 4.24Å; Y429-Y433 HydrophobicContact CD2-CE2 4.21Å; Y429-Y433 AromaticContact CE1-CD2 3.71Å; Y429-Y433 HydrophobicContact CE1-CD2 3.71Å; Y429-Y433 AromaticContact CE1-CE2 3.85Å; Y429-Y433 HydrophobicContact CE1-CE2 3.85Å; Y429-Y433 HydrophobicContact CE1-CG 4.49Å; Y429-Y433 AromaticContact CE2-CD2 3.78Å; Y429-Y433 HydrophobicContact CE2-CD2 3.78Å; Y429-Y433 AromaticContact CE2-CE2 3.35Å; Y429-Y433 HydrophobicContact CE2-CE2 3.35Å; Y429-Y433 HydrophobicContact CG-CD2 4.36Å; Y429-Y433 AromaticContact CZ-CD2 3.47Å; Y429-Y433 VanDerWaalsContact CZ-CD2 3.47Å; Y429-Y433 AromaticContact CZ-CE2 3.12Å; Y429-Y433 AromaticContact CZ-CZ 3.9Å; Y429-Y433 PolarHBondContact O-N 2.82Å; Y429-Y433 WeakPolarHBondContact OH-CE2 3.39Å; Y429-Y433 PolarHBondContact OH-OH 2.79Å; D430-Y433 PolarHBondContact O-N 2.8Å; Y433-A436 PolarHBondContact O-N 2.76Å; Y433-S437 VanDerWaalsContact O-CB 3.25Å; Y433-S437 WeakPolarHBondContact O-CB 3.08Å; Y433-S437 PolarHBondContact O-N 3.43Å; Y433-S437 PolarHBondContact O-OG 2.85Å; Y433-N485 PolarHBondContact OH-ND2 2.83Å
434	A	96.6	Very high	95.6	Very high	2 Å²	2	15.5 Å²	15.5	2%	0.017	7%	0.073	C	C	.	.	H	α-helix	trans	-63.5	-44	174.4	0	0	0	0	0	111.5	I162 D430 A431 V432 G438 I477 F482 F492	I162-A434 HydrophobicContact CD1-CB 3.77Å; D430-A434 VanDerWaalsContact O-CB 3.31Å; D430-A434 WeakPolarHBondContact O-CB 3.05Å; D430-A434 PolarHBondContact O-N 3.46Å; A431-A434 PolarHBondContact O-N 3.45Å; V432-A434 VanDerWaalsContact C-N 3.31Å; V432-A434 PolarHBondContact O-N 3.28Å; A434-G438 PolarHBondContact O-N 2.93Å; A434-I477 HydrophobicContact CB-CG2 4.38Å; A434-F482 HydrophobicContact CB-CE1 3.95Å; A434-F482 HydrophobicContact CB-CZ 4.02Å; A434-F492 HydrophobicContact CB-CE2 4.01Å; A434-F492 HydrophobicContact CB-CZ 3.91Å
435	F	97.2	Very high	95.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.8	-46.4	171.8	-81.5	-61.6	0	0	0	112.2	L43 V139 P160 I162 A431 V432 S437 G438 L439 F473 I477	L43-F435 HydrophobicContact CD1-CB 3.87Å; L43-F435 HydrophobicContact CD1-CD2 4.22Å; L43-F435 HydrophobicContact CD1-CG 4.24Å; L43-F435 HydrophobicContact CD2-CB 4.09Å; L43-F435 HydrophobicContact CD2-CD1 4.25Å; L43-F435 HydrophobicContact CD2-CD2 4.33Å; L43-F435 HydrophobicContact CD2-CG 3.98Å; V139-F435 HydrophobicContact CG2-CD2 3.6Å; V139-F435 HydrophobicContact CG2-CE2 3.65Å; P160-F435 HydrophobicContact CB-CE1 4.22Å; I162-F435 HydrophobicContact CB-CE2 3.79Å; I162-F435 HydrophobicContact CB-CZ 4.16Å; I162-F435 HydrophobicContact CD1-CD1 4.21Å; I162-F435 HydrophobicContact CD1-CD2 3.74Å; I162-F435 HydrophobicContact CD1-CE1 4.05Å; I162-F435 HydrophobicContact CD1-CE2 3.58Å; I162-F435 HydrophobicContact CD1-CG 4.06Å; I162-F435 HydrophobicContact CD1-CZ 3.74Å; I162-F435 HydrophobicContact CG1-CD2 4.29Å; I162-F435 HydrophobicContact CG1-CE1 4.23Å; I162-F435 HydrophobicContact CG1-CE2 3.6Å; I162-F435 HydrophobicContact CG1-CZ 3.57Å; A431-F435 WeakPolarHBondContact O-CD2 3.37Å; A431-F435 PolarHBondContact O-N 2.61Å; V432-F435 PolarHBondContact O-N 3.45Å; F435-S437 VanDerWaalsContact C-N 3.34Å; F435-S437 PolarHBondContact O-N 2.99Å; F435-G438 PolarHBondContact O-N 3.22Å; F435-L439 WeakPolarHBondContact O-CB 3.44Å; F435-L439 VanDerWaalsContact O-CG 3.3Å; F435-L439 WeakPolarHBondContact O-CG 3.21Å; F435-L439 PolarHBondContact O-N 3.04Å; F435-F473 HydrophobicContact CD1-CE1 4.17Å; F435-F473 HydrophobicContact CD1-CZ 4.32Å; F435-F473 HydrophobicContact CE1-CE1 4.43Å; F435-I477 HydrophobicContact CD1-CD1 3.62Å; F435-I477 HydrophobicContact CE1-CD1 3.66Å
436	A	96.3	Very high	95.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.7	-40.9	-179.4	0	0	0	0	0	112.4	I79 L85 L86 L91 V432 Y433 L439 H440	I79-A436 HydrophobicContact CD1-CB 3.75Å; I79-A436 HydrophobicContact CG1-CB 4.28Å; I79-A436 HydrophobicContact CG2-CB 4.11Å; L85-A436 HydrophobicContact CD2-CB 4Å; L86-A436 HydrophobicContact CD1-CB 4.27Å; L91-A436 HydrophobicContact CD2-CB 4.27Å; V432-A436 PolarHBondContact O-N 2.95Å; Y433-A436 PolarHBondContact O-N 2.76Å; A436-L439 PolarHBondContact O-N 2.77Å; A436-H440 VanDerWaalsContact O-CB 3.28Å; A436-H440 WeakPolarHBondContact O-CB 3.16Å; A436-H440 PolarHBondContact O-N 3.21Å
437	S	95.5	Very high	95.2	Very high	15 Å²	15	21.9 Å²	21.9	11%	0.105	10%	0.103	C	C	.	.	H	α-helix	trans	-64.9	-46	175.9	-61.6	0	0	0	0	111.5	Y433 F435 L439 H440 I441	Y433-S437 VanDerWaalsContact O-CB 3.25Å; Y433-S437 WeakPolarHBondContact O-CB 3.08Å; Y433-S437 PolarHBondContact O-N 3.43Å; Y433-S437 PolarHBondContact O-OG 2.85Å; F435-S437 VanDerWaalsContact C-N 3.34Å; F435-S437 PolarHBondContact O-N 2.99Å; S437-L439 PolarHBondContact O-N 3.03Å; S437-H440 PolarHBondContact O-N 3.03Å; S437-I441 WeakPolarHBondContact O-CG1 3.29Å; S437-I441 PolarHBondContact O-N 2.91Å
438	G	95.6	Very high	94.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.4	-45.4	174.1	0	0	0	0	0	112.2	A434 F435 H440 I441 L442 L476	A434-G438 PolarHBondContact O-N 2.93Å; F435-G438 PolarHBondContact O-N 3.22Å; G438-H440 VanDerWaalsContact C-N 3.31Å; G438-H440 PolarHBondContact O-N 2.94Å; G438-I441 PolarHBondContact O-N 3.1Å; G438-L442 WeakPolarHBondContact O-CB 3.23Å; G438-L442 PolarHBondContact O-N 3.34Å; G438-L476 WeakPolarHBondContact O-CD2 3.44Å
439	L	95.7	Very high	93.9	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-63.2	-37.1	175.8	-73.3	173.1	0	0	0	111.8	I41 L86 L91 F435 A436 S437 L442 Q443 M465 F473	I41-L439 HydrophobicContact CD1-CD1 4.43Å; I41-L439 HydrophobicContact CD1-CD2 4.15Å; I41-L439 HydrophobicContact CG2-CD1 3.95Å; I41-L439 HydrophobicContact CG2-CD2 4.32Å; L86-L439 HydrophobicContact CD1-CB 4.43Å; L86-L439 HydrophobicContact CD2-CB 3.63Å; L91-L439 HydrophobicContact CD1-CD1 3.66Å; F435-L439 WeakPolarHBondContact O-CB 3.44Å; F435-L439 VanDerWaalsContact O-CG 3.3Å; F435-L439 WeakPolarHBondContact O-CG 3.21Å; F435-L439 PolarHBondContact O-N 3.04Å; A436-L439 PolarHBondContact O-N 2.77Å; S437-L439 PolarHBondContact O-N 3.03Å; L439-L442 WeakPolarHBondContact O-CB 3.07Å; L439-L442 PolarHBondContact O-N 2.81Å; L439-Q443 WeakPolarHBondContact O-CB 3.4Å; L439-Q443 PolarHBondContact O-N 2.6Å; L439-M465 HydrophobicContact CB-CE 4.29Å; L439-M465 HydrophobicContact CD2-CE 4.12Å; L439-M465 VanDerWaalsContact O-CE 3.32Å; L439-M465 WeakPolarHBondContact O-CE 3.21Å; L439-F473 HydrophobicContact CD2-CE1 4.25Å; L439-F473 HydrophobicContact CD2-CE2 3.84Å; L439-F473 HydrophobicContact CD2-CZ 3.52Å; L439-F473 HydrophobicContact CG-CE2 4.15Å; L439-F473 HydrophobicContact CG-CZ 3.7Å
440	H	94.8	Very high	93.3	Very high	23 Å²	23	33.7 Å²	33.7	11%	0.106	19%	0.187	C	C	.	.	H	α-helix	trans	-68.7	-40.9	179.5	-179.5	68.5	0	0	0	112.2	K84 L85 L86 A436 S437 G438 L442 Q443 K444	K84-H440 PolarHBondContact O-CE1 2.85Å; L85-H440 HydrophobicContact CD1-CB 3.68Å; L86-H440 HydrophobicContact CD2-CB 4.01Å; L86-H440 HydrophobicContact CG-CB 4.38Å; L86-H440 PolarHBondContact N-ND1 3.46Å; L86-H440 VanDerWaalsContact N-ND1 3.19Å; A436-H440 VanDerWaalsContact O-CB 3.28Å; A436-H440 WeakPolarHBondContact O-CB 3.16Å; A436-H440 PolarHBondContact O-N 3.21Å; S437-H440 PolarHBondContact O-N 3.03Å; G438-H440 VanDerWaalsContact C-N 3.31Å; G438-H440 PolarHBondContact O-N 2.94Å; H440-L442 VanDerWaalsContact C-N 3.32Å; H440-Q443 PolarHBondContact O-N 3.46Å; H440-K444 WeakPolarHBondContact NE2-CE 3.48Å; H440-K444 PolarHBondContact NE2-NZ 3.04Å; H440-K444 PolarHBondContact O-N 2.93Å
441	I	94.6	Very high	92.6	Very high	60 Å²	60	34.7 Å²	34.7	31%	0.308	19%	0.193	S	C	.	.	H	α-helix	trans	-64.6	-41.3	172.6	-64.4	165.1	0	0	0	110	S437 G438 Q443 K444 K445 L476 T480	S437-I441 WeakPolarHBondContact O-CG1 3.29Å; S437-I441 PolarHBondContact O-N 2.91Å; G438-I441 PolarHBondContact O-N 3.1Å; I441-Q443 PolarHBondContact O-N 3.16Å; I441-K444 PolarHBondContact O-N 2.79Å; I441-K445 WeakPolarHBondContact O-CB 3.41Å; I441-K445 PolarHBondContact O-N 3.49Å; I441-L476 HydrophobicContact CB-CD2 4.15Å; I441-L476 HydrophobicContact CB-CG 4.43Å; I441-L476 HydrophobicContact CG2-CD1 3.72Å; I441-L476 HydrophobicContact CG2-CD2 4.04Å; I441-L476 HydrophobicContact CG2-CG 4.16Å; I441-T480 HydrophobicContact CD1-CG2 3.5Å; I441-T480 WeakPolarHBondContact CD1-OG1 3.48Å
442	L	94.3	Very high	91.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.1	-43	176.5	-172.6	63.5	0	0	0	111.8	G438 L439 H440 K445 L446 M465 Y468 F473 L476	G438-L442 WeakPolarHBondContact O-CB 3.23Å; G438-L442 PolarHBondContact O-N 3.34Å; L439-L442 WeakPolarHBondContact O-CB 3.07Å; L439-L442 PolarHBondContact O-N 2.81Å; H440-L442 VanDerWaalsContact C-N 3.32Å; L442-K445 PolarHBondContact O-N 2.82Å; L442-L446 HydrophobicContact CD1-CD1 3.58Å; L442-L446 HydrophobicContact CD1-CG 3.98Å; L442-L446 HydrophobicContact CD2-CD1 4.49Å; L442-L446 HydrophobicContact CG-CD1 3.85Å; L442-L446 HydrophobicContact CG-CG 4.38Å; L442-L446 WeakPolarHBondContact O-CB 3.23Å; L442-L446 WeakPolarHBondContact O-CG 3.06Å; L442-L446 PolarHBondContact O-N 2.8Å; L442-M465 HydrophobicContact CD2-CB 4.49Å; L442-Y468 HydrophobicContact CD1-CD1 3.6Å; L442-Y468 HydrophobicContact CD1-CD2 3.93Å; L442-Y468 HydrophobicContact CD1-CE1 3.71Å; L442-Y468 HydrophobicContact CD1-CE2 4.08Å; L442-Y468 HydrophobicContact CD1-CG 3.7Å; L442-Y468 HydrophobicContact CD2-CD1 4.09Å; L442-Y468 HydrophobicContact CD2-CG 4.25Å; L442-F473 HydrophobicContact CD2-CD2 3.95Å; L442-F473 HydrophobicContact CD2-CE2 4.28Å; L442-L476 HydrophobicContact CB-CD2 3.83Å; L442-L476 HydrophobicContact CD1-CD2 4.28Å
443	Q	94	Very high	91.1	Very high	5 Å²	5	45.6 Å²	45.6	2%	0.023	24%	0.244	C	C	.	.	H	α-helix	trans	-60.4	-48.7	175.6	-174.1	-170.8	10.6	0	0	110.8	P87 L89 L439 H440 I441 K445 L446 C447 M465	P87-Q443 PolarHBondContact O-NE2 3.37Å; L89-Q443 HydrophobicContact CD1-CG 4.23Å; L439-Q443 WeakPolarHBondContact O-CB 3.4Å; L439-Q443 PolarHBondContact O-N 2.6Å; H440-Q443 PolarHBondContact O-N 3.46Å; I441-Q443 PolarHBondContact O-N 3.16Å; Q443-K445 PolarHBondContact O-N 2.89Å; Q443-L446 PolarHBondContact O-N 3.1Å; Q443-C447 HydrophobicContact CG-CB 4.19Å; Q443-C447 WeakPolarHBondContact O-CA 3.07Å; Q443-C447 VanDerWaalsContact O-CB 3.28Å; Q443-C447 WeakPolarHBondContact O-CB 3.48Å; Q443-C447 PolarHBondContact O-N 2.03Å; Q443-M465 HydrophobicContact CB-CE 3.88Å; Q443-M465 HydrophobicContact CB-SD 3.86Å; Q443-M465 HydrophobicContact CG-SD 4.07Å
444	K	92.3	Very high	90.3	Very high	145 Å²	145	51.3 Å²	51.3	63%	0.63	28%	0.282	S	S	*	.	H	α-helix	trans	-57.2	-37.2	176	-79.8	174.1	165	165.1	0	112.1	H440 I441	H440-K444 WeakPolarHBondContact NE2-CE 3.48Å; H440-K444 PolarHBondContact NE2-NZ 3.04Å; H440-K444 PolarHBondContact O-N 2.93Å; I441-K444 PolarHBondContact O-N 2.79Å
445	K	92.3	Very high	89.5	Confident	132 Å²	132	60 Å²	60	57%	0.574	32%	0.319	S	S	*	.	H	α-helix	trans	-74	-40.6	179.8	-173.6	175.7	-179.2	176.5	0	113.4	I441 L442 Q443	I441-K445 WeakPolarHBondContact O-CB 3.41Å; I441-K445 PolarHBondContact O-N 3.49Å; L442-K445 PolarHBondContact O-N 2.82Å; Q443-K445 PolarHBondContact O-N 2.89Å
446	L	92	Very high	89	Confident	37 Å²	37	61.7 Å²	61.7	19%	0.194	33%	0.326	C	S	.	.	H	α-helix	trans	-100.6	-21.9	-170.9	-62.1	-176.7	0	0	0	114.5	L442 Q443 P448 K464 M465 Y468	L442-L446 HydrophobicContact CD1-CD1 3.58Å; L442-L446 HydrophobicContact CD1-CG 3.98Å; L442-L446 HydrophobicContact CD2-CD1 4.49Å; L442-L446 HydrophobicContact CG-CD1 3.85Å; L442-L446 HydrophobicContact CG-CG 4.38Å; L442-L446 WeakPolarHBondContact O-CB 3.23Å; L442-L446 WeakPolarHBondContact O-CG 3.06Å; L442-L446 PolarHBondContact O-N 2.8Å; Q443-L446 PolarHBondContact O-N 3.1Å; L446-P448 VanDerWaalsContact C-CD 3.42Å; L446-P448 WeakPolarHBondContact O-CD 3.29Å; L446-K464 HydrophobicContact CB-CB 4.32Å; L446-K464 HydrophobicContact CD1-CB 4.32Å; L446-M465 HydrophobicContact CD1-CG 4.46Å; L446-Y468 HydrophobicContact CD1-CD2 3.94Å; L446-Y468 HydrophobicContact CD1-CG 4.32Å
447	C	91.3	Very high	88.6	Confident	12 Å²	12	66.4 Å²	66.4	8%	0.081	35%	0.351	C	S	.	.	S	Bend	trans	-124.5	64.2	-171.8	-48.6	0	0	0	0	111.7	Q443 W456 C461	Q443-C447 HydrophobicContact CG-CB 4.19Å; Q443-C447 WeakPolarHBondContact O-CA 3.07Å; Q443-C447 VanDerWaalsContact O-CB 3.28Å; Q443-C447 WeakPolarHBondContact O-CB 3.48Å; Q443-C447 PolarHBondContact O-N 2.03Å; C447-W456 HydrophobicContact CB-CZ2 4.31Å; C447-C461 HydrophobicContact CB-CB 3.8Å; C447-C461 WeakPolarHBondContact CB-SG 3.22Å; C447-C461 WeakPolarHBondContact SG-CA 3.29Å; C447-C461 WeakPolarHBondContact SG-CB 3.27Å; C447-C461 CovalentContact SG-SG 2.03Å; C447-C461 PolarHBondContact SG-SG 3.4Å
448	P	82.8	Confident	88.3	Confident	109 Å²	109	69.4 Å²	69.4	71%	0.708	36%	0.362	S	S	*	.			trans	-63.7	140	179.2	28.4	-34.9	0	0	0	111.3	L446	L446-P448 VanDerWaalsContact C-CD 3.42Å; L446-P448 WeakPolarHBondContact O-CD 3.29Å
449	G	82.7	Confident	87.9	Confident	59 Å²	59	74.6 Å²	74.6	61%	0.608	38%	0.382	S	S	*	.	S	Bend	trans	126.1	170.6	-179.3	0	0	0	0	0	112.7	P451	G449-P451 WeakPolarHBondContact O-CD 3.24Å
450	N	83.6	Confident	87.6	Confident	93 Å²	93	76.5 Å²	76.5	50%	0.497	40%	0.395	S	S	.	.			trans	-82.6	118	173.8	178.9	-2.6	0	0	0	109.4	H452 H453 W456	N450-H452 PolarHBondContact O-N 3.12Å; N450-H452 WeakPolarHBondContact OD1-CB 3.41Å; N450-H452 PolarHBondContact OD1-N 3.26Å; N450-H453 HydrophobicContact CB-CB 4.1Å; N450-H453 WeakPolarHBondContact O-CB 3.33Å; N450-H453 PolarHBondContact O-N 3.37Å; N450-W456 WeakPolarHBondContact O-CB 3.05Å
451	P	81.8	Confident	87.4	Confident	26 Å²	26	75.6 Å²	75.6	17%	0.169	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.3	179	-25.3	38.1	0	0	0	114.6	P87 G449 H453 W456	P87-P451 HydrophobicContact CB-CB 4.21Å; P87-P451 HydrophobicContact CB-CG 3.91Å; P87-P451 HydrophobicContact CG-CG 3.89Å; P87-P451 VanDerWaalsContact O-CB 3.25Å; P87-P451 WeakPolarHBondContact O-CB 3.14Å; P87-P451 WeakPolarHBondContact O-CG 3.43Å; G449-P451 WeakPolarHBondContact O-CD 3.24Å; P451-H453 VanDerWaalsContact C-N 3.29Å; P451-W456 HydrophobicContact CB-CD2 4.04Å; P451-W456 HydrophobicContact CB-CE3 4.13Å; P451-W456 HydrophobicContact CB-CH2 4.35Å; P451-W456 HydrophobicContact CB-CZ2 4.25Å; P451-W456 HydrophobicContact CB-CZ3 4.27Å; P451-W456 HydrophobicContact CG-CZ2 4.4Å
452	H	80.6	Confident	87.2	Confident	135 Å²	135	73.9 Å²	73.9	63%	0.625	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-3.3	174.8	-56.5	-67.1	0	0	0	113.2	N450	N450-H452 PolarHBondContact O-N 3.12Å; N450-H452 WeakPolarHBondContact OD1-CB 3.41Å; N450-H452 PolarHBondContact OD1-N 3.26Å
453	H	82.2	Confident	87	Confident	95 Å²	95	77.8 Å²	77.8	44%	0.44	40%	0.401	S	S	.	.	S	Bend	trans	-82	135.1	178.6	-170.7	-91	0	0	0	110.7	N450 P451 K455 W456	N450-H453 HydrophobicContact CB-CB 4.1Å; N450-H453 WeakPolarHBondContact O-CB 3.33Å; N450-H453 PolarHBondContact O-N 3.37Å; P451-H453 VanDerWaalsContact C-N 3.29Å; H453-K455 PolarHBondContact ND1-N 3.07Å; H453-K455 PolarHBondContact O-N 3.48Å; H453-W456 VanDerWaalsContact O-CB 3.31Å; H453-W456 WeakPolarHBondContact O-CB 3.47Å; H453-W456 PolarHBondContact O-N 2.79Å
454	P	79.8	Confident	86.9	Confident	128 Å²	128	82.3 Å²	82.3	83%	0.831	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-24.9	-175.6	-24.9	31.8	0	0	0	115.4	W456	P454-W456 VanDerWaalsContact C-N 3.35Å
455	K	81.2	Confident	86.8	Confident	184 Å²	184	75.4 Å²	75.4	80%	0.8	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-6.3	176.7	-61.5	-175	-179.2	178.8	0	114	H453 N457	H453-K455 PolarHBondContact ND1-N 3.07Å; H453-K455 PolarHBondContact O-N 3.48Å; K455-N457 PolarHBondContact O-N 2.86Å
456	W	84.9	Confident	86.7	Confident	37 Å²	37	71.4 Å²	71.4	14%	0.14	38%	0.375	C	S	.	.			trans	-74.8	115.7	179.2	-172.9	84.6	0	0	0	110	L89 C447 N450 P451 H453 P454 K458 C461	L89-W456 HydrophobicContact CD2-CH2 3.86Å; L89-W456 HydrophobicContact CG-CH2 4.14Å; C447-W456 HydrophobicContact CB-CZ2 4.31Å; N450-W456 WeakPolarHBondContact O-CB 3.05Å; P451-W456 HydrophobicContact CB-CD2 4.04Å; P451-W456 HydrophobicContact CB-CE3 4.13Å; P451-W456 HydrophobicContact CB-CH2 4.35Å; P451-W456 HydrophobicContact CB-CZ2 4.25Å; P451-W456 HydrophobicContact CB-CZ3 4.27Å; P451-W456 HydrophobicContact CG-CZ2 4.4Å; H453-W456 VanDerWaalsContact O-CB 3.31Å; H453-W456 WeakPolarHBondContact O-CB 3.47Å; H453-W456 PolarHBondContact O-N 2.79Å; P454-W456 VanDerWaalsContact C-N 3.35Å; W456-K458 HydrophobicContact CE3-CB 4.05Å; W456-K458 HydrophobicContact CH2-CB 4.3Å; W456-K458 HydrophobicContact CH2-CG 4.28Å; W456-K458 VanDerWaalsContact CZ3-CA 3.44Å; W456-K458 HydrophobicContact CZ3-CB 3.53Å; W456-K458 HydrophobicContact CZ3-CG 3.8Å; W456-K458 PolarHBondContact O-N 2.75Å; W456-C461 HydrophobicContact CH2-CB 4.05Å; W456-C461 HydrophobicContact CZ2-CB 3.63Å; W456-C461 VanDerWaalsContact CZ2-SG 3.57Å
457	N	88.4	Confident	86.6	Confident	98 Å²	98	74 Å²	74	52%	0.524	40%	0.396	S	S	.	.			trans	-87.4	97.4	-177.2	-173.5	-27.7	0	0	0	110.5	K455 R459 S460 C461	K455-N457 PolarHBondContact O-N 2.86Å; N457-R459 VanDerWaalsContact C-N 3.3Å; N457-R459 PolarHBondContact O-N 3.07Å; N457-R459 WeakPolarHBondContact OD1-CB 3.23Å; N457-R459 PolarHBondContact OD1-N 3.2Å; N457-S460 PolarHBondContact O-N 3.4Å; N457-S460 PolarHBondContact OD1-N 3.13Å; N457-C461 PolarHBondContact O-N 2.94Å; N457-C461 VanDerWaalsContact O-N 3.07Å
458	K	88.8	Confident	86.6	Confident	79 Å²	79	75.5 Å²	75.5	34%	0.343	40%	0.401	S	S	.	.	H	α-helix	trans	-52.9	-44.5	176.4	-174.5	172.8	179.3	177.5	0	112.8	D40 G88 L89 W456 C461 L462	D40-K458 WeakPolarHBondContact OD1-CE 3.22Å; D40-K458 IonicContact OD1-NZ 2.82Å; D40-K458 PolarHBondContact OD1-NZ 2.82Å; D40-K458 WeakPolarHBondContact OD2-CE 3.17Å; D40-K458 IonicContact OD2-NZ 2.8Å; D40-K458 PolarHBondContact OD2-NZ 3.14Å; G88-K458 WeakPolarHBondContact O-CE 3.43Å; G88-K458 PolarHBondContact O-NZ 3.12Å; L89-K458 HydrophobicContact CD2-CD 4.4Å; L89-K458 HydrophobicContact CD2-CG 3.92Å; W456-K458 HydrophobicContact CE3-CB 4.05Å; W456-K458 HydrophobicContact CH2-CB 4.3Å; W456-K458 HydrophobicContact CH2-CG 4.28Å; W456-K458 VanDerWaalsContact CZ3-CA 3.44Å; W456-K458 HydrophobicContact CZ3-CB 3.53Å; W456-K458 HydrophobicContact CZ3-CG 3.8Å; W456-K458 PolarHBondContact O-N 2.75Å; K458-C461 WeakPolarHBondContact O-CB 3.03Å; K458-C461 PolarHBondContact O-N 3.04Å; K458-L462 HydrophobicContact CG-CD1 4.09Å; K458-L462 WeakPolarHBondContact O-CG 3.3Å; K458-L462 PolarHBondContact O-N 2.64Å
459	R	87.6	Confident	87.1	Confident	109 Å²	109	73.8 Å²	73.8	41%	0.411	39%	0.389	S	S	.	.	H	α-helix	trans	-63.8	-46.4	-178.9	-176.4	178	179.9	130.1	0.9	112.1	L123 N457 C461 L462 E463	L123-R459 PolarHBondContact O-NH2 3.48Å; N457-R459 VanDerWaalsContact C-N 3.3Å; N457-R459 PolarHBondContact O-N 3.07Å; N457-R459 WeakPolarHBondContact OD1-CB 3.23Å; N457-R459 PolarHBondContact OD1-N 3.2Å; R459-C461 VanDerWaalsContact C-N 3.3Å; R459-C461 PolarHBondContact O-N 3.48Å; R459-L462 PolarHBondContact O-N 2.82Å; R459-E463 IonicContact CZ-OE1 3.97Å; R459-E463 IonicContact NE-OE1 3.08Å; R459-E463 PolarHBondContact NE-OE1 3.19Å; R459-E463 VanDerWaalsContact NE-OE1 3.08Å; R459-E463 IonicContact NH2-OE1 3.94Å; R459-E463 WeakPolarHBondContact O-CG 3.04Å; R459-E463 PolarHBondContact O-N 3.2Å
460	S	89.3	Confident	87.5	Confident	41 Å²	41	71.4 Å²	71.4	29%	0.287	37%	0.365	S	S	.	.	H	α-helix	trans	-63.5	-37	177.4	-176.5	0	0	0	0	112	N457 K464	N457-S460 PolarHBondContact O-N 3.4Å; N457-S460 PolarHBondContact OD1-N 3.13Å; S460-K464 WeakPolarHBondContact O-CG 3.36Å; S460-K464 PolarHBondContact O-N 3.05Å
461	C	91	Very high	88	Confident	4 Å²	4	70.4 Å²	70.4	3%	0.027	36%	0.362	C	S	.	.	H	α-helix	trans	-62.9	-48.2	173.7	179.8	0	0	0	0	111.6	C447 W456 N457 K458 R459 E463 K464 M465	C447-C461 HydrophobicContact CB-CB 3.8Å; C447-C461 WeakPolarHBondContact CB-SG 3.22Å; C447-C461 WeakPolarHBondContact SG-CA 3.29Å; C447-C461 WeakPolarHBondContact SG-CB 3.27Å; C447-C461 CovalentContact SG-SG 2.03Å; C447-C461 PolarHBondContact SG-SG 3.4Å; W456-C461 HydrophobicContact CH2-CB 4.05Å; W456-C461 HydrophobicContact CZ2-CB 3.63Å; W456-C461 VanDerWaalsContact CZ2-SG 3.57Å; N457-C461 PolarHBondContact O-N 2.94Å; N457-C461 VanDerWaalsContact O-N 3.07Å; K458-C461 WeakPolarHBondContact O-CB 3.03Å; K458-C461 PolarHBondContact O-N 3.04Å; R459-C461 VanDerWaalsContact C-N 3.3Å; R459-C461 PolarHBondContact O-N 3.48Å; C461-E463 PolarHBondContact O-N 2.84Å; C461-K464 PolarHBondContact O-N 3.49Å; C461-M465 WeakPolarHBondContact O-CG 3.35Å; C461-M465 PolarHBondContact O-N 3.17Å; C461-M465 VanDerWaalsContact SG-SD 3.67Å
462	L	91	Very high	88.6	Confident	23 Å²	23	70.7 Å²	70.7	12%	0.12	37%	0.366	C	S	.	.	H	α-helix	trans	-60.2	-45.3	178	-73.2	170.1	0	0	0	112.1	D40 I41 L89 K458 R459 K464 M465 L466	D40-L462 HydrophobicContact CB-CD1 4.05Å; D40-L462 HydrophobicContact CB-CD2 3.83Å; I41-L462 HydrophobicContact CD1-CD2 4.22Å; I41-L462 HydrophobicContact CG1-CD2 3.79Å; L89-L462 HydrophobicContact CD1-CD2 4.39Å; L89-L462 HydrophobicContact CD2-CD1 4.43Å; L89-L462 HydrophobicContact CD2-CD2 3.81Å; L89-L462 HydrophobicContact CD2-CG 4Å; K458-L462 HydrophobicContact CG-CD1 4.09Å; K458-L462 WeakPolarHBondContact O-CG 3.3Å; K458-L462 PolarHBondContact O-N 2.64Å; R459-L462 PolarHBondContact O-N 2.82Å; L462-K464 VanDerWaalsContact C-N 3.3Å; L462-K464 PolarHBondContact O-N 3.19Å; L462-M465 PolarHBondContact O-N 2.78Å; L462-L466 VanDerWaalsContact O-CB 3.25Å; L462-L466 WeakPolarHBondContact O-CB 3.37Å; L462-L466 WeakPolarHBondContact O-CG 3.1Å; L462-L466 PolarHBondContact O-N 3.03Å
463	E	89.8	Confident	89.3	Confident	82 Å²	82	64.2 Å²	64.2	38%	0.383	34%	0.337	S	S	.	.	H	α-helix	trans	-58.3	-40.8	176.7	-74	170.9	-173.8	0	0	111.9	L123 R459 C461 S467	L123-E463 HydrophobicContact CD2-CG 4.45Å; R459-E463 IonicContact CZ-OE1 3.97Å; R459-E463 IonicContact NE-OE1 3.08Å; R459-E463 PolarHBondContact NE-OE1 3.19Å; R459-E463 VanDerWaalsContact NE-OE1 3.08Å; R459-E463 IonicContact NH2-OE1 3.94Å; R459-E463 WeakPolarHBondContact O-CG 3.04Å; R459-E463 PolarHBondContact O-N 3.2Å; C461-E463 PolarHBondContact O-N 2.84Å; E463-S467 VanDerWaalsContact O-CB 3.23Å; E463-S467 WeakPolarHBondContact O-CB 3.47Å; E463-S467 PolarHBondContact O-N 2.85Å; E463-S467 PolarHBondContact O-OG 3.37Å
464	K	91.4	Very high	90	Very high	100 Å²	100	59.9 Å²	59.9	44%	0.435	32%	0.316	S	S	.	.	H	α-helix	trans	-68.4	-43.1	175.6	-70.2	177.1	-173.7	-178.6	0	112.8	L446 S460 C461 L462 S467 Y468	L446-K464 HydrophobicContact CB-CB 4.32Å; L446-K464 HydrophobicContact CD1-CB 4.32Å; S460-K464 WeakPolarHBondContact O-CG 3.36Å; S460-K464 PolarHBondContact O-N 3.05Å; C461-K464 PolarHBondContact O-N 3.49Å; L462-K464 VanDerWaalsContact C-N 3.3Å; L462-K464 PolarHBondContact O-N 3.19Å; K464-S467 WeakPolarHBondContact CA-OG 3.5Å; K464-S467 PolarHBondContact O-OG 3.27Å; K464-Y468 PolarHBondContact O-N 3.4Å
465	M	91.5	Very high	90.8	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-67.6	-40.9	179.3	-70.5	-178.2	71.1	0	0	111.7	I41 L89 R136 L439 L442 Q443 L446 C461 L462 Y468	I41-M465 HydrophobicContact CD1-CE 3.63Å; I41-M465 HydrophobicContact CD1-SD 4.25Å; L89-M465 HydrophobicContact CD1-CE 4.23Å; L89-M465 HydrophobicContact CD1-SD 3.58Å; L89-M465 VanDerWaalsContact CD1-SD 3.58Å; R136-M465 VanDerWaalsContact CZ-O 3.31Å; R136-M465 PolarHBondContact NH2-O 3.22Å; L439-M465 HydrophobicContact CB-CE 4.29Å; L439-M465 HydrophobicContact CD2-CE 4.12Å; L439-M465 VanDerWaalsContact O-CE 3.32Å; L439-M465 WeakPolarHBondContact O-CE 3.21Å; L442-M465 HydrophobicContact CD2-CB 4.49Å; Q443-M465 HydrophobicContact CB-CE 3.88Å; Q443-M465 HydrophobicContact CB-SD 3.86Å; Q443-M465 HydrophobicContact CG-SD 4.07Å; L446-M465 HydrophobicContact CD1-CG 4.46Å; C461-M465 WeakPolarHBondContact O-CG 3.35Å; C461-M465 PolarHBondContact O-N 3.17Å; C461-M465 VanDerWaalsContact SG-SD 3.67Å; L462-M465 PolarHBondContact O-N 2.78Å; M465-Y468 WeakPolarHBondContact O-CB 3.17Å; M465-Y468 PolarHBondContact O-N 3.26Å
466	L	89.6	Confident	91.4	Very high	48 Å²	48	51 Å²	51	25%	0.251	27%	0.267	S	S	.	.	H	α-helix	trans	-73.9	-27.9	179.5	-66	175.8	0	0	0	112.9	N134 R136 L462	N134-L466 HydrophobicContact CB-CD1 4.5Å; N134-L466 HydrophobicContact CB-CD2 4.15Å; R136-L466 HydrophobicContact CG-CD2 3.66Å; R136-L466 PolarHBondContact NH1-O 3.37Å; L462-L466 VanDerWaalsContact O-CB 3.25Å; L462-L466 WeakPolarHBondContact O-CB 3.37Å; L462-L466 WeakPolarHBondContact O-CG 3.1Å; L462-L466 PolarHBondContact O-N 3.03Å
467	S	89.3	Confident	92	Very high	90 Å²	90	49.4 Å²	49.4	63%	0.629	26%	0.261	S	S	*	.	H	α-helix	trans	-84	-8.4	174.8	57.4	0	0	0	0	114.3	E463 K464	E463-S467 VanDerWaalsContact O-CB 3.23Å; E463-S467 WeakPolarHBondContact O-CB 3.47Å; E463-S467 PolarHBondContact O-N 2.85Å; E463-S467 PolarHBondContact O-OG 3.37Å; K464-S467 WeakPolarHBondContact CA-OG 3.5Å; K464-S467 PolarHBondContact O-OG 3.27Å
468	Y	91.6	Very high	92.3	Very high	45 Å²	45	45.7 Å²	45.7	18%	0.176	24%	0.241	C	C	.	.	S	Bend	trans	-64.2	134.6	-179.9	-165.3	-107.1	0	0	0	111.2	R136 L442 L446 K464 M465 G470 A472 F473	R136-Y468 VanDerWaalsContact CZ-O 3.31Å; R136-Y468 PolarHBondContact NH1-O 3.15Å; R136-Y468 PolarHBondContact NH2-O 2.63Å; L442-Y468 HydrophobicContact CD1-CD1 3.6Å; L442-Y468 HydrophobicContact CD1-CD2 3.93Å; L442-Y468 HydrophobicContact CD1-CE1 3.71Å; L442-Y468 HydrophobicContact CD1-CE2 4.08Å; L442-Y468 HydrophobicContact CD1-CG 3.7Å; L442-Y468 HydrophobicContact CD2-CD1 4.09Å; L442-Y468 HydrophobicContact CD2-CG 4.25Å; L446-Y468 HydrophobicContact CD1-CD2 3.94Å; L446-Y468 HydrophobicContact CD1-CG 4.32Å; K464-Y468 PolarHBondContact O-N 3.4Å; M465-Y468 WeakPolarHBondContact O-CB 3.17Å; M465-Y468 PolarHBondContact O-N 3.26Å; Y468-G470 PolarHBondContact O-N 2.94Å; Y468-A472 HydrophobicContact CD1-CB 4.34Å; Y468-A472 HydrophobicContact CE1-CB 3.52Å; Y468-F473 HydrophobicContact CD1-CB 4.04Å; Y468-F473 HydrophobicContact CE1-CB 4.4Å
469	P	92.7	Very high	92.5	Very high	72 Å²	72	48.1 Å²	48.1	47%	0.468	26%	0.258	S	S	.	.			trans	-58	129.8	-178.6	-25	33.9	0	0	0	111.9	T471 A472 F473	P469-T471 VanDerWaalsContact C-N 3.28Å; P469-T471 PolarHBondContact O-N 3.45Å; P469-A472 HydrophobicContact CB-CB 4.22Å; P469-A472 PolarHBondContact O-N 2.77Å; P469-A472 VanDerWaalsContact O-N 3.14Å; P469-F473 PolarHBondContact O-N 3.48Å
470	G	91.8	Very high	92.7	Very high	9 Å²	9	43.9 Å²	43.9	9%	0.093	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-28.8	-176.4	0	0	0	0	0	113.9	S158 P160 Y468 F473 Y474	S158-G470 VanDerWaalsContact O-CA 3.27Å; S158-G470 WeakPolarHBondContact O-CA 3.48Å; P160-G470 WeakPolarHBondContact CG-O 3.49Å; Y468-G470 PolarHBondContact O-N 2.94Å; G470-F473 WeakPolarHBondContact O-CB 3.39Å; G470-F473 PolarHBondContact O-N 2.97Å; G470-Y474 PolarHBondContact O-N 3.05Å
471	T	93.7	Very high	93	Very high	73 Å²	73	45 Å²	45	45%	0.448	25%	0.252	S	S	.	.	H	α-helix	trans	-62.7	-44.1	171.1	54	0	0	0	0	112.4	L179 P469 F473 Y474 Q475	L179-T471 HydrophobicContact CD1-CG2 4.27Å; L179-T471 HydrophobicContact CD2-CG2 4.01Å; P469-T471 VanDerWaalsContact C-N 3.28Å; P469-T471 PolarHBondContact O-N 3.45Å; T471-F473 VanDerWaalsContact C-N 3.33Å; T471-Y474 PolarHBondContact O-N 2.79Å; T471-Q475 WeakPolarHBondContact O-CG 3.48Å; T471-Q475 PolarHBondContact O-N 2.79Å; T471-Q475 VanDerWaalsContact O-N 3.13Å
472	A	95.1	Very high	93.1	Very high	31 Å²	31	46 Å²	46	26%	0.256	26%	0.256	S	S	.	.	H	α-helix	trans	-69.9	-33.1	175.3	0	0	0	0	0	111.7	Y468 P469 Q475 L476	Y468-A472 HydrophobicContact CD1-CB 4.34Å; Y468-A472 HydrophobicContact CE1-CB 3.52Å; P469-A472 HydrophobicContact CB-CB 4.22Å; P469-A472 PolarHBondContact O-N 2.77Å; P469-A472 VanDerWaalsContact O-N 3.14Å; A472-Q475 PolarHBondContact O-N 2.93Å; A472-L476 PolarHBondContact O-N 2.99Å; A472-L476 VanDerWaalsContact O-N 3.09Å
473	F	95.7	Very high	93.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.4	-43.7	174.2	-177	-133.1	0	0	0	111.8	R136 P160 F435 L439 L442 Y468 P469 G470 T471 Q475 L476 I477	R136-F473 HydrophobicContact CB-CE1 4.44Å; R136-F473 WeakPolarHBondContact O-CE1 3.31Å; P160-F473 HydrophobicContact CG-CD1 4Å; F435-F473 HydrophobicContact CD1-CE1 4.17Å; F435-F473 HydrophobicContact CD1-CZ 4.32Å; F435-F473 HydrophobicContact CE1-CE1 4.43Å; L439-F473 HydrophobicContact CD2-CE1 4.25Å; L439-F473 HydrophobicContact CD2-CE2 3.84Å; L439-F473 HydrophobicContact CD2-CZ 3.52Å; L439-F473 HydrophobicContact CG-CE2 4.15Å; L439-F473 HydrophobicContact CG-CZ 3.7Å; L442-F473 HydrophobicContact CD2-CD2 3.95Å; L442-F473 HydrophobicContact CD2-CE2 4.28Å; Y468-F473 HydrophobicContact CD1-CB 4.04Å; Y468-F473 HydrophobicContact CE1-CB 4.4Å; P469-F473 PolarHBondContact O-N 3.48Å; G470-F473 WeakPolarHBondContact O-CB 3.39Å; G470-F473 PolarHBondContact O-N 2.97Å; T471-F473 VanDerWaalsContact C-N 3.33Å; F473-Q475 PolarHBondContact O-N 1.99Å; F473-L476 VanDerWaalsContact O-CB 3.31Å; F473-L476 WeakPolarHBondContact O-CB 3.2Å; F473-L476 PolarHBondContact O-N 2.96Å; F473-L476 VanDerWaalsContact O-N 3.14Å; F473-I477 HydrophobicContact CD1-CD1 4.16Å; F473-I477 HydrophobicContact CE1-CD1 3.76Å; F473-I477 HydrophobicContact CE2-CD1 4.16Å; F473-I477 HydrophobicContact CE2-CG1 4.16Å; F473-I477 HydrophobicContact CG-CD1 4.49Å; F473-I477 HydrophobicContact CZ-CD1 3.74Å; F473-I477 HydrophobicContact CZ-CG1 4.17Å; F473-I477 WeakPolarHBondContact O-CG1 3.01Å; F473-I477 PolarHBondContact O-N 2.8Å; F473-I477 VanDerWaalsContact O-N 3.09Å
474	Y	96.3	Very high	93	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.012	26%	0.261	C	S	.	.	H	α-helix	trans	-57.6	-46.5	173	171.5	-95.8	0	0	0	112	P160 K174 P178 L179 F180 A181 G470 T471 L476 I477 I478	P160-Y474 HydrophobicContact CB-CD2 4.19Å; K174-Y474 WeakPolarHBondContact CE-OH 3.5Å; K174-Y474 PolarHBondContact NZ-OH 2.92Å; P178-Y474 WeakPolarHBondContact O-CD1 3.34Å; P178-Y474 WeakPolarHBondContact O-CE1 2.88Å; L179-Y474 VanDerWaalsContact C-CE2 3.46Å; L179-Y474 HydrophobicContact CB-CD2 4.48Å; L179-Y474 HydrophobicContact CD2-CD1 3.95Å; L179-Y474 HydrophobicContact CD2-CD2 4.46Å; L179-Y474 HydrophobicContact CD2-CG 3.75Å; F180-Y474 PolarHBondContact O-OH 2.96Å; A181-Y474 HydrophobicContact CB-CE2 3.89Å; G470-Y474 PolarHBondContact O-N 3.05Å; T471-Y474 PolarHBondContact O-N 2.79Å; Y474-L476 PolarHBondContact O-N 2.88Å; Y474-I477 WeakPolarHBondContact O-CB 3.38Å; Y474-I477 PolarHBondContact O-N 2.85Å; Y474-I478 HydrophobicContact CD1-CD1 4.33Å; Y474-I478 HydrophobicContact CD1-CG2 4.49Å; Y474-I478 HydrophobicContact CD2-CG2 4.31Å; Y474-I478 HydrophobicContact CE1-CD1 3.73Å; Y474-I478 HydrophobicContact CE1-CG1 4.45Å; Y474-I478 HydrophobicContact CE1-CG2 3.93Å; Y474-I478 HydrophobicContact CE2-CG2 3.74Å; Y474-I478 PolarHBondContact O-N 2.81Å
475	Q	95.4	Very high	92.8	Very high	94 Å²	94	45.2 Å²	45.2	44%	0.439	26%	0.263	S	S	.	.	H	α-helix	trans	-59.3	-34.6	176.6	-71.1	-64.4	-35.6	0	0	112.5	T471 A472 F473 I478 N479	T471-Q475 WeakPolarHBondContact O-CG 3.48Å; T471-Q475 PolarHBondContact O-N 2.79Å; T471-Q475 VanDerWaalsContact O-N 3.13Å; A472-Q475 PolarHBondContact O-N 2.93Å; F473-Q475 PolarHBondContact O-N 1.99Å; Q475-I478 WeakPolarHBondContact O-CG1 3.41Å; Q475-N479 WeakPolarHBondContact O-CB 3.35Å; Q475-N479 VanDerWaalsContact O-CG 3.27Å; Q475-N479 PolarHBondContact O-N 3.29Å; Q475-N479 PolarHBondContact O-ND2 2.97Å
476	L	95.4	Very high	92.6	Very high	32 Å²	32	48.7 Å²	48.7	17%	0.168	28%	0.276	C	S	.	.	H	α-helix	trans	-66.4	-41.3	174.3	-168.3	66.6	0	0	0	112	G438 I441 L442 A472 F473 Y474 T480	G438-L476 WeakPolarHBondContact O-CD2 3.44Å; I441-L476 HydrophobicContact CB-CD2 4.15Å; I441-L476 HydrophobicContact CB-CG 4.43Å; I441-L476 HydrophobicContact CG2-CD1 3.72Å; I441-L476 HydrophobicContact CG2-CD2 4.04Å; I441-L476 HydrophobicContact CG2-CG 4.16Å; L442-L476 HydrophobicContact CB-CD2 3.83Å; L442-L476 HydrophobicContact CD1-CD2 4.28Å; A472-L476 PolarHBondContact O-N 2.99Å; A472-L476 VanDerWaalsContact O-N 3.09Å; F473-L476 VanDerWaalsContact O-CB 3.31Å; F473-L476 WeakPolarHBondContact O-CB 3.2Å; F473-L476 PolarHBondContact O-N 2.96Å; F473-L476 VanDerWaalsContact O-N 3.14Å; Y474-L476 PolarHBondContact O-N 2.88Å; L476-T480 PolarHBondContact O-N 3.49Å; L476-T480 PolarHBondContact O-OG1 3.31Å
477	I	95.9	Very high	92.4	Very high	3 Å²	3	49 Å²	49	2%	0.015	29%	0.291	C	S	.	.	H	α-helix	trans	-63.7	-53.3	179.1	-66.3	165.6	0	0	0	110.4	P160 I162 A434 F435 F473 Y474 N479 T480 F492	P160-I477 HydrophobicContact CB-CD1 4.49Å; I162-I477 HydrophobicContact CD1-CG2 3.79Å; A434-I477 HydrophobicContact CB-CG2 4.38Å; F435-I477 HydrophobicContact CD1-CD1 3.62Å; F435-I477 HydrophobicContact CE1-CD1 3.66Å; F473-I477 HydrophobicContact CD1-CD1 4.16Å; F473-I477 HydrophobicContact CE1-CD1 3.76Å; F473-I477 HydrophobicContact CE2-CD1 4.16Å; F473-I477 HydrophobicContact CE2-CG1 4.16Å; F473-I477 HydrophobicContact CG-CD1 4.49Å; F473-I477 HydrophobicContact CZ-CD1 3.74Å; F473-I477 HydrophobicContact CZ-CG1 4.17Å; F473-I477 WeakPolarHBondContact O-CG1 3.01Å; F473-I477 PolarHBondContact O-N 2.8Å; F473-I477 VanDerWaalsContact O-N 3.09Å; Y474-I477 WeakPolarHBondContact O-CB 3.38Å; Y474-I477 PolarHBondContact O-N 2.85Å; I477-N479 VanDerWaalsContact C-N 3.27Å; I477-N479 PolarHBondContact O-N 2.84Å; I477-T480 WeakPolarHBondContact O-CB 3.21Å; I477-T480 PolarHBondContact O-N 3.27Å; I477-F492 HydrophobicContact CG2-CE2 4.18Å
478	I	95.2	Very high	92.4	Very high	20 Å²	20	46.2 Å²	46.2	10%	0.103	27%	0.269	C	S	.	.	H	α-helix	trans	-66.1	-28.7	-174.6	64.2	173.5	0	0	0	113.2	A181 Y474 Q475 T480 F492	A181-I478 HydrophobicContact CB-CG2 4.3Å; Y474-I478 HydrophobicContact CD1-CD1 4.33Å; Y474-I478 HydrophobicContact CD1-CG2 4.49Å; Y474-I478 HydrophobicContact CD2-CG2 4.31Å; Y474-I478 HydrophobicContact CE1-CD1 3.73Å; Y474-I478 HydrophobicContact CE1-CG1 4.45Å; Y474-I478 HydrophobicContact CE1-CG2 3.93Å; Y474-I478 HydrophobicContact CE2-CG2 3.74Å; Y474-I478 PolarHBondContact O-N 2.81Å; Q475-I478 WeakPolarHBondContact O-CG1 3.41Å; I478-T480 VanDerWaalsContact C-N 3.27Å; I478-T480 PolarHBondContact O-N 2.89Å; I478-F492 HydrophobicContact CB-CB 4.36Å
479	N	94.3	Very high	92.4	Very high	130 Å²	130	51.2 Å²	51.2	70%	0.695	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-6.1	177.1	-71.1	-12.2	0	0	0	113.2	Q475 I477	Q475-N479 WeakPolarHBondContact O-CB 3.35Å; Q475-N479 VanDerWaalsContact O-CG 3.27Å; Q475-N479 PolarHBondContact O-N 3.29Å; Q475-N479 PolarHBondContact O-ND2 2.97Å; I477-N479 VanDerWaalsContact C-N 3.27Å; I477-N479 PolarHBondContact O-N 2.84Å
480	T	91.2	Very high	92.4	Very high	21 Å²	21	48.2 Å²	48.2	13%	0.129	27%	0.269	C	S	.	.			trans	-92.9	129	178.6	-59.3	0	0	0	0	109.4	I441 L476 I477 I478 F482	I441-T480 HydrophobicContact CD1-CG2 3.5Å; I441-T480 WeakPolarHBondContact CD1-OG1 3.48Å; L476-T480 PolarHBondContact O-N 3.49Å; L476-T480 PolarHBondContact O-OG1 3.31Å; I477-T480 WeakPolarHBondContact O-CB 3.21Å; I477-T480 PolarHBondContact O-N 3.27Å; I478-T480 VanDerWaalsContact C-N 3.27Å; I478-T480 PolarHBondContact O-N 2.89Å; T480-F482 HydrophobicContact CG2-CD1 4.37Å
481	S	95	Very high	92.6	Very high	63 Å²	63	48.3 Å²	48.3	44%	0.441	27%	0.269	S	S	.	.			trans	-114.7	147.9	163.9	60.9	0	0	0	0	109.9	Y489 V490	S481-Y489 WeakPolarHBondContact CB-OH 3.21Å; S481-Y489 PolarHBondContact OG-OH 3.2Å; S481-V490 WeakPolarHBondContact CA-O 3.46Å
482	F	93.8	Very high	92.7	Very high	27 Å²	27	45.5 Å²	45.5	12%	0.118	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	159.3	179.8	58.8	-85.5	0	0	0	110.3	A434 T480 V490	A434-F482 HydrophobicContact CB-CE1 3.95Å; A434-F482 HydrophobicContact CB-CZ 4.02Å; T480-F482 HydrophobicContact CG2-CD1 4.37Å; F482-V490 HydrophobicContact CD1-CB 4.45Å; F482-V490 HydrophobicContact CD2-CB 4.26Å; F482-V490 HydrophobicContact CD2-CG2 4.46Å; F482-V490 HydrophobicContact CE1-CB 3.97Å; F482-V490 HydrophobicContact CE1-CG1 3.92Å; F482-V490 HydrophobicContact CE2-CB 3.76Å; F482-V490 HydrophobicContact CE2-CG1 4.27Å; F482-V490 HydrophobicContact CE2-CG2 3.81Å; F482-V490 HydrophobicContact CZ-CB 3.6Å; F482-V490 HydrophobicContact CZ-CG1 3.62Å; F482-V490 HydrophobicContact CZ-CG2 4.02Å; F482-V490 PolarHBondContact N-O 3.47Å; F482-V490 VanDerWaalsContact N-O 3.12Å; F482-V490 PolarHBondContact O-N 3.49Å
483	T	91.8	Very high	92.7	Very high	92 Å²	92	46.2 Å²	46.2	56%	0.564	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100	129.6	165.5	-53.9	0	0	0	0	107.4	N488	T483-N488 CarbonylContact C-O 3.51Å; T483-N488 VanDerWaalsContact CA-O 3.3Å; T483-N488 WeakPolarHBondContact CA-O 3.06Å
484	D	86.3	Confident	92.6	Very high	8 Å²	8	54.9 Å²	54.9	4%	0.043	29%	0.291	C	S	.	.			trans	-71.1	173.7	178.3	86.9	-11.5	0	0	0	111.4	Y429 Y486 G487 N488	Y429-D484 HydrophobicContact CE1-CB 3.83Å; D484-Y486 PolarHBondContact O-N 2.78Å; D484-Y486 VanDerWaalsContact O-N 3.08Å; D484-Y486 VanDerWaalsContact OD1-CA 3.32Å; D484-Y486 WeakPolarHBondContact OD1-CA 3.5Å; D484-Y486 PolarHBondContact OD1-N 3.27Å; D484-G487 PolarHBondContact O-N 2.91Å; D484-G487 PolarHBondContact OD1-N 2.85Å; D484-N488 PolarHBondContact N-O 3.11Å; D484-N488 PolarHBondContact OD1-N 3.48Å; D484-N488 PolarHBondContact OD2-ND2 3.26Å
485	N	87.7	Confident	92.6	Very high	88 Å²	88	58.2 Å²	58.2	47%	0.471	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-12.5	179.1	-70.8	-8.9	0	0	0	114	Y429 Y433	Y429-N485 WeakPolarHBondContact OH-CB 3.5Å; Y433-N485 PolarHBondContact OH-ND2 2.83Å
486	Y	87.9	Confident	92.6	Very high	73 Å²	73	53.7 Å²	53.7	29%	0.286	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	5.5	-174.9	-55.7	-70	0	0	0	112.6	E78 I326 A328 Y429 D484	E78-Y486 PolarHBondContact OE1-OH 2.91Å; E78-Y486 PolarHBondContact OE2-OH 3.47Å; I326-Y486 HydrophobicContact CB-CE2 4.47Å; I326-Y486 HydrophobicContact CD1-CD2 4.05Å; I326-Y486 HydrophobicContact CD1-CE2 4.14Å; I326-Y486 HydrophobicContact CG1-CD2 4.06Å; I326-Y486 HydrophobicContact CG1-CE2 4.34Å; I326-Y486 HydrophobicContact CG2-CD1 4.14Å; I326-Y486 HydrophobicContact CG2-CD2 3.79Å; I326-Y486 HydrophobicContact CG2-CE1 3.73Å; I326-Y486 HydrophobicContact CG2-CE2 3.34Å; I326-Y486 HydrophobicContact CG2-CG 4.18Å; A328-Y486 HydrophobicContact CB-CE1 4.02Å; A328-Y486 WeakPolarHBondContact CB-OH 2.94Å; Y429-Y486 HydrophobicContact CD1-CD2 4.41Å; Y429-Y486 HydrophobicContact CD2-CE2 4.37Å; Y429-Y486 AromaticContact CE1-CD2 3.69Å; Y429-Y486 HydrophobicContact CE1-CD2 3.69Å; Y429-Y486 AromaticContact CE1-CE2 3.79Å; Y429-Y486 HydrophobicContact CE1-CE2 3.79Å; Y429-Y486 HydrophobicContact CE2-CD2 4.41Å; Y429-Y486 AromaticContact CE2-CE2 3.67Å; Y429-Y486 HydrophobicContact CE2-CE2 3.67Å; Y429-Y486 AromaticContact CZ-CD2 3.74Å; Y429-Y486 AromaticContact CZ-CE2 3.35Å; Y429-Y486 WeakPolarHBondContact OH-CE2 3.45Å; D484-Y486 PolarHBondContact O-N 2.78Å; D484-Y486 VanDerWaalsContact O-N 3.08Å; D484-Y486 VanDerWaalsContact OD1-CA 3.32Å; D484-Y486 WeakPolarHBondContact OD1-CA 3.5Å; D484-Y486 PolarHBondContact OD1-N 3.27Å
487	G	85.3	Confident	92.7	Very high	55 Å²	55	52.5 Å²	52.5	57%	0.567	28%	0.281	S	S	*	.	S	Bend	trans	92.8	3.3	174.8	0	0	0	0	0	115.1	D484	D484-G487 PolarHBondContact O-N 2.91Å; D484-G487 PolarHBondContact OD1-N 2.85Å
488	N	88	Confident	92.6	Very high	31 Å²	31	52.7 Å²	52.7	17%	0.166	28%	0.284	C	S	.	.			trans	-79.8	130	178.9	-56.6	-57.5	0	0	0	110.7	T483 D484	T483-N488 CarbonylContact C-O 3.51Å; T483-N488 VanDerWaalsContact CA-O 3.3Å; T483-N488 WeakPolarHBondContact CA-O 3.06Å; D484-N488 PolarHBondContact N-O 3.11Å; D484-N488 PolarHBondContact OD1-N 3.48Å; D484-N488 PolarHBondContact OD2-ND2 3.26Å
489	Y	91.9	Very high	92.5	Very high	151 Å²	151	59.6 Å²	59.6	59%	0.592	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	119.4	174.6	179.8	-106.4	0	0	0	110.3	S481 A491	S481-Y489 WeakPolarHBondContact CB-OH 3.21Å; S481-Y489 PolarHBondContact OG-OH 3.2Å; Y489-A491 HydrophobicContact CD1-CB 4.39Å; Y489-A491 HydrophobicContact CE1-CB 3.61Å
490	V	93.6	Very high	92	Very high	8 Å²	8	54.2 Å²	54.2	5%	0.048	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.5	-179.8	-174.6	0	0	0	0	109.3	D430 S481 F482	D430-V490 HydrophobicContact CB-CG1 4.27Å; D430-V490 HydrophobicContact CB-CG2 3.9Å; D430-V490 VanDerWaalsContact CG-CG2 3.49Å; D430-V490 WeakPolarHBondContact OD1-CG2 3.22Å; S481-V490 WeakPolarHBondContact CA-O 3.46Å; F482-V490 HydrophobicContact CD1-CB 4.45Å; F482-V490 HydrophobicContact CD2-CB 4.26Å; F482-V490 HydrophobicContact CD2-CG2 4.46Å; F482-V490 HydrophobicContact CE1-CB 3.97Å; F482-V490 HydrophobicContact CE1-CG1 3.92Å; F482-V490 HydrophobicContact CE2-CB 3.76Å; F482-V490 HydrophobicContact CE2-CG1 4.27Å; F482-V490 HydrophobicContact CE2-CG2 3.81Å; F482-V490 HydrophobicContact CZ-CB 3.6Å; F482-V490 HydrophobicContact CZ-CG1 3.62Å; F482-V490 HydrophobicContact CZ-CG2 4.02Å; F482-V490 PolarHBondContact N-O 3.47Å; F482-V490 VanDerWaalsContact N-O 3.12Å; F482-V490 PolarHBondContact O-N 3.49Å
491	A	95.3	Very high	92	Very high	11 Å²	11	56.3 Å²	56.3	9%	0.091	29%	0.294	C	S	.	.			trans	-151.8	156	175.2	0	0	0	0	0	109.9	Y489 Y499	Y489-A491 HydrophobicContact CD1-CB 4.39Å; Y489-A491 HydrophobicContact CE1-CB 3.61Å; A491-Y499 HydrophobicContact CB-CD2 3.99Å; A491-Y499 HydrophobicContact CB-CE2 3.96Å
492	F	96.6	Very high	92.1	Very high	14 Å²	14	53.3 Å²	53.3	6%	0.061	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-112.2	144.9	176.3	-55.4	-82.5	0	0	0	109.8	I162 A181 R182 T183 A434 I477 I478 D497	I162-F492 HydrophobicContact CD1-CZ 4.5Å; I162-F492 HydrophobicContact CG2-CE1 4.37Å; I162-F492 HydrophobicContact CG2-CZ 4.36Å; A181-F492 HydrophobicContact CB-CD1 4.15Å; A181-F492 HydrophobicContact CB-CE1 4.18Å; R182-F492 WeakPolarHBondContact O-CD1 3.43Å; R182-F492 VanDerWaalsContact O-CE1 3.26Å; R182-F492 WeakPolarHBondContact O-CE1 3.42Å; T183-F492 HydrophobicContact CG2-CE1 4.11Å; T183-F492 HydrophobicContact CG2-CZ 4.11Å; A434-F492 HydrophobicContact CB-CE2 4.01Å; A434-F492 HydrophobicContact CB-CZ 3.91Å; I477-F492 HydrophobicContact CG2-CE2 4.18Å; I478-F492 HydrophobicContact CB-CB 4.36Å; F492-D497 CarbonylContact C-O 3.52Å; F492-D497 WeakPolarHBondContact CA-O 3.42Å
493	D	94.4	Very high	92.2	Very high	46 Å²	46	52.4 Å²	52.4	25%	0.246	27%	0.27	C	S	.	.			trans	-79	-177.4	170.3	76.5	1.5	0	0	0	111.8	N495 G496 D497 Y499	D493-N495 PolarHBondContact O-N 2.96Å; D493-N495 WeakPolarHBondContact OD1-CA 3.26Å; D493-N495 WeakPolarHBondContact OD1-CB 3.34Å; D493-N495 PolarHBondContact OD1-N 2.72Å; D493-G496 PolarHBondContact O-N 3.46Å; D493-G496 PolarHBondContact OD1-N 3.32Å; D493-D497 PolarHBondContact N-O 2.98Å; D493-D497 WeakPolarHBondContact OD1-CB 3.33Å; D493-D497 PolarHBondContact OD1-N 2.78Å; D493-Y499 HydrophobicContact CB-CE1 4.45Å
494	E	93.9	Very high	92.5	Very high	183 Å²	183	48.1 Å²	48.1	86%	0.855	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-26	178.2	-60.8	-179.1	178.7	0	0	112.9	G496	E494-G496 VanDerWaalsContact C-N 3.29Å
495	N	95.1	Very high	93	Very high	72 Å²	72	48.9 Å²	48.9	39%	0.385	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	11.9	175.3	-58.6	-48.9	0	0	0	112.5	K174 D493 D497	K174-N495 VanDerWaalsContact CE-CA 3.42Å; K174-N495 WeakPolarHBondContact CE-O 3.39Å; K174-N495 PolarHBondContact NZ-O 3.07Å; D493-N495 PolarHBondContact O-N 2.96Å; D493-N495 WeakPolarHBondContact OD1-CA 3.26Å; D493-N495 WeakPolarHBondContact OD1-CB 3.34Å; D493-N495 PolarHBondContact OD1-N 2.72Å; N495-D497 PolarHBondContact O-N 2.71Å
496	G	95.9	Very high	93.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	64.3	17.8	-179.4	0	0	0	0	0	113.4	A181 R182 D493 E494	A181-G496 CarbonylContact C-O 3.5Å; A181-G496 WeakPolarHBondContact CA-O 3.27Å; A181-G496 WeakPolarHBondContact CB-O 3.21Å; R182-G496 PolarHBondContact N-O 3.09Å; D493-G496 PolarHBondContact O-N 3.46Å; D493-G496 PolarHBondContact OD1-N 3.32Å; E494-G496 VanDerWaalsContact C-N 3.29Å
497	D	96.9	Very high	93.8	Very high	6 Å²	6	41.7 Å²	41.7	3%	0.032	21%	0.211	C	C	.	.			trans	-91.2	142.3	179.4	-62.7	-33.9	0	0	0	110.3	S172 R182 F492 D493 N495	S172-D497 WeakPolarHBondContact CB-OD2 3.39Å; S172-D497 PolarHBondContact OG-OD2 3.22Å; R182-D497 IonicContact CZ-OD1 3.41Å; R182-D497 IonicContact NE-OD1 3.55Å; R182-D497 PolarHBondContact NE-OD1 3.49Å; R182-D497 VanDerWaalsContact NH2-CG 3.25Å; R182-D497 IonicContact NH2-OD1 3.3Å; R182-D497 PolarHBondContact NH2-OD1 3.46Å; R182-D497 IonicContact NH2-OD2 2.72Å; R182-D497 PolarHBondContact NH2-OD2 3.28Å; R182-D497 VanDerWaalsContact NH2-OD2 3.16Å; F492-D497 CarbonylContact C-O 3.52Å; F492-D497 WeakPolarHBondContact CA-O 3.42Å; D493-D497 PolarHBondContact N-O 2.98Å; D493-D497 WeakPolarHBondContact OD1-CB 3.33Å; D493-D497 PolarHBondContact OD1-N 2.78Å; N495-D497 PolarHBondContact O-N 2.71Å
498	G	94.7	Very high	94.2	Very high	7 Å²	7	39.2 Å²	39.2	7%	0.072	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-72.9	142.8	175.2	0	0	0	0	0	111.3	R182 V184 P185 G500	R182-G498 WeakPolarHBondContact O-CA 3.33Å; R182-G498 PolarHBondContact O-N 3.35Å; V184-G498 PolarHBondContact O-N 3.39Å; P185-G498 VanDerWaalsContact CA-O 3.3Å; P185-G498 WeakPolarHBondContact CA-O 3.45Å; G498-G500 PolarHBondContact O-N 3.18Å; G498-G500 VanDerWaalsContact O-N 3.1Å
499	Y	92	Very high	94.4	Very high	165 Å²	165	43.2 Å²	43.2	65%	0.647	20%	0.199	S	C	*	.			trans	-69.2	107.6	171.1	-67.2	-81.6	0	0	0	109.8	A491 D493	A491-Y499 HydrophobicContact CB-CD2 3.99Å; A491-Y499 HydrophobicContact CB-CE2 3.96Å; D493-Y499 HydrophobicContact CB-CE1 4.45Å
500	G	84.1	Confident	94.1	Very high	17 Å²	17	37.4 Å²	37.4	18%	0.175	18%	0.178	C	C	.	.			trans	-103.1	150.8	-179.1	0	0	0	0	0	114.3	G498	G498-G500 PolarHBondContact O-N 3.18Å; G498-G500 VanDerWaalsContact O-N 3.1Å
501	Q	92.5	Very high	93.6	Very high	66 Å²	66	41.5 Å²	41.5	31%	0.308	20%	0.204	S	C	.	.			trans	-121.7	151.7	169.9	-50.4	176.5	18.6	0	0	107	Q322 Q525	Q322-Q501 HydrophobicContact CB-CB 4.05Å; Q322-Q501 WeakPolarHBondContact CB-O 3.5Å; Q322-Q501 PolarHBondContact N-O 3.08Å; Q501-Q525 HydrophobicContact CG-CB 4.35Å; Q501-Q525 HydrophobicContact CG-CG 3.91Å
502	Y	96	Very high	93.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	135	179.8	-69.9	-89.6	0	0	0	110.7	P185 V189 Q190 A193 I319 E320 I321 D523 F524	P185-Y502 HydrophobicContact CB-CE2 4.43Å; P185-Y502 HydrophobicContact CG-CE2 4.04Å; P185-Y502 WeakPolarHBondContact CG-OH 3.45Å; V189-Y502 HydrophobicContact CB-CE2 4.15Å; V189-Y502 HydrophobicContact CG1-CD2 4.37Å; V189-Y502 HydrophobicContact CG1-CE2 3.87Å; Q190-Y502 HydrophobicContact CB-CE1 4.17Å; Q190-Y502 HydrophobicContact CB-CE2 4.33Å; Q190-Y502 WeakPolarHBondContact CB-OH 3.12Å; Q190-Y502 HydrophobicContact CG-CE1 3.89Å; A193-Y502 HydrophobicContact CB-CD2 4.37Å; I319-Y502 HydrophobicContact CB-CD1 4.47Å; I319-Y502 HydrophobicContact CD1-CD1 4.15Å; I319-Y502 HydrophobicContact CD1-CE1 4.45Å; I319-Y502 HydrophobicContact CG1-CD1 4.5Å; E320-Y502 CarbonylContact O-C 3.52Å; E320-Y502 WeakPolarHBondContact O-CA 3.43Å; I321-Y502 HydrophobicContact CB-CE1 4.41Å; I321-Y502 HydrophobicContact CG1-CD1 4.21Å; I321-Y502 HydrophobicContact CG1-CE1 3.57Å; Y502-D523 CarbonylContact O-C 3.52Å; Y502-D523 VanDerWaalsContact O-CA 3.24Å; Y502-D523 WeakPolarHBondContact O-CA 3.35Å; Y502-F524 HydrophobicContact CD2-CD1 4.49Å; Y502-F524 PolarHBondContact N-O 3.42Å; Y502-F524 PolarHBondContact O-N 2.86Å
503	S	96.2	Very high	92.8	Very high	8 Å²	8	54.8 Å²	54.8	6%	0.056	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	142	167.4	-67.8	0	0	0	0	109.7	I319 E320	I319-S503 WeakPolarHBondContact CA-O 3.38Å; E320-S503 PolarHBondContact N-O 3.42Å; E320-S503 PolarHBondContact O-N 2.86Å
504	I	97.3	Very high	92.4	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	117.7	-176.9	-51.7	176.4	0	0	0	108.1	L197 I319 V521 G522 L529 M531	L197-I504 HydrophobicContact CD1-CD1 4.1Å; L197-I504 HydrophobicContact CD2-CD1 4.44Å; L197-I504 HydrophobicContact CD2-CG2 4.03Å; I319-I504 HydrophobicContact CG2-CG1 4.1Å; I504-V521 HydrophobicContact CB-CG2 4.44Å; I504-V521 HydrophobicContact CG2-CG2 4Å; I504-V521 VanDerWaalsContact O-CG2 3.31Å; I504-V521 WeakPolarHBondContact O-CG2 3.34Å; I504-V521 PolarHBondContact O-N 2.91Å; I504-G522 WeakPolarHBondContact CB-O 3.02Å; I504-G522 PolarHBondContact N-O 2.82Å; I504-G522 PolarHBondContact O-N 3.37Å; I504-L529 HydrophobicContact CD1-CD1 3.15Å; I504-M531 HydrophobicContact CD1-SD 4.44Å
505	Y	96.7	Very high	92.3	Very high	24 Å²	24	51.4 Å²	51.4	9%	0.094	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	143.6	-180	-66.7	-82.1	0	0	0	110.8	R301 L317 T318 E320 R519 L520	R301-Y505 HydrophobicContact CG-CD1 4.16Å; R301-Y505 HydrophobicContact CG-CD2 3.66Å; R301-Y505 HydrophobicContact CG-CE1 4.36Å; R301-Y505 HydrophobicContact CG-CE2 3.85Å; R301-Y505 HydrophobicContact CG-CG 3.8Å; R301-Y505 PolarHBondContact NH1-OH 3.45Å; L317-Y505 CarbonylContact C-O 3.59Å; L317-Y505 VanDerWaalsContact CA-O 3.25Å; L317-Y505 WeakPolarHBondContact CA-O 3.41Å; T318-Y505 PolarHBondContact N-O 3.43Å; T318-Y505 PolarHBondContact O-N 2.9Å; E320-Y505 HydrophobicContact CB-CD2 4.16Å; E320-Y505 HydrophobicContact CB-CE2 3.94Å; E320-Y505 WeakPolarHBondContact OE2-CE2 3.24Å; Y505-R519 CarbonylContact C-O 3.53Å; Y505-R519 WeakPolarHBondContact CA-O 3.43Å; Y505-L520 HydrophobicContact CD1-CB 4.11Å; Y505-L520 HydrophobicContact CD1-CD1 4.3Å; Y505-L520 HydrophobicContact CE1-CB 3.81Å; Y505-L520 HydrophobicContact CE1-CD1 3.88Å; Y505-L520 HydrophobicContact CE1-CG 4.43Å; Y505-L520 HydrophobicContact CE2-CD1 4.47Å
506	N	96.2	Very high	92.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	114.8	171.2	178.2	-141.3	0	0	0	108.5	A316 L317 A508 R519 V521 P535 I536	A316-N506 CarbonylContact O-C 3.58Å; A316-N506 VanDerWaalsContact O-CA 3.26Å; A316-N506 WeakPolarHBondContact O-CA 3.19Å; A316-N506 PolarHBondContact O-ND2 3.35Å; L317-N506 HydrophobicContact CD2-CB 3.77Å; N506-A508 PolarHBondContact O-N 3.43Å; N506-R519 PolarHBondContact N-O 3.25Å; N506-R519 PolarHBondContact O-N 2.97Å; N506-R519 PolarHBondContact OD1-NH2 2.76Å; N506-V521 HydrophobicContact CB-CB 4.38Å; N506-V521 HydrophobicContact CB-CG1 3.58Å; N506-V521 HydrophobicContact CB-CG2 3.86Å; N506-P535 WeakPolarHBondContact OD1-CA 3.35Å; N506-I536 PolarHBondContact ND2-O 3.5Å; N506-I536 PolarHBondContact OD1-N 3.42Å
507	Y	96.4	Very high	92	Very high	10 Å²	10	54.9 Å²	54.9	4%	0.039	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	107.4	173	-174.5	-98.4	0	0	0	108.6	V306 S310 A313 G315 A316 Y516 Y518	V306-Y507 HydrophobicContact CB-CE1 4.08Å; V306-Y507 HydrophobicContact CB-CE2 4.1Å; V306-Y507 HydrophobicContact CG1-CD1 4.1Å; V306-Y507 HydrophobicContact CG1-CD2 4.24Å; V306-Y507 HydrophobicContact CG1-CE1 3.84Å; V306-Y507 HydrophobicContact CG1-CE2 3.97Å; V306-Y507 HydrophobicContact CG1-CG 4.27Å; V306-Y507 HydrophobicContact CG2-CE2 3.88Å; S310-Y507 VanDerWaalsContact CB-OH 3.31Å; S310-Y507 WeakPolarHBondContact CB-OH 3.46Å; S310-Y507 PolarHBondContact OG-OH 2.92Å; A313-Y507 HydrophobicContact CB-CD1 3.76Å; A313-Y507 HydrophobicContact CB-CE1 3.86Å; G315-Y507 PolarHBondContact N-O 2.71Å; A316-Y507 PolarHBondContact O-N 2.92Å; Y507-Y516 HydrophobicContact CD1-CD1 4.47Å; Y507-Y516 AromaticContact CE1-CD1 3.8Å; Y507-Y516 HydrophobicContact CE1-CD1 3.8Å; Y507-Y516 HydrophobicContact CE1-CG 4.25Å; Y507-Y516 WeakPolarHBondContact OH-CB 3.44Å; Y507-Y518 AromaticContact CD2-CD1 3.79Å; Y507-Y518 HydrophobicContact CD2-CD1 3.79Å; Y507-Y518 HydrophobicContact CD2-CD2 4.07Å; Y507-Y518 AromaticContact CD2-CE1 3.49Å; Y507-Y518 HydrophobicContact CD2-CE1 3.49Å; Y507-Y518 VanDerWaalsContact CD2-CE1 3.49Å; Y507-Y518 AromaticContact CD2-CE2 3.81Å; Y507-Y518 HydrophobicContact CD2-CE2 3.81Å; Y507-Y518 HydrophobicContact CD2-CG 4.05Å; Y507-Y518 AromaticContact CD2-CZ 3.5Å; Y507-Y518 HydrophobicContact CE2-CD2 4.46Å; Y507-Y518 HydrophobicContact CE2-CE1 4.43Å; Y507-Y518 HydrophobicContact CE2-CE2 4.03Å; Y507-Y518 HydrophobicContact CG-CD1 4.37Å; Y507-Y518 HydrophobicContact CG-CE1 4.01Å
508	A	93.4	Very high	91.8	Very high	3 Å²	3	56 Å²	56	3%	0.025	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	154.8	-174.1	0	0	0	0	0	111.8	N314 N506 D510 Y516 H517 I536	N314-A508 WeakPolarHBondContact OD1-CA 3.37Å; N506-A508 PolarHBondContact O-N 3.43Å; A508-D510 PolarHBondContact O-N 3.41Å; A508-Y516 WeakPolarHBondContact O-CA 3.25Å; A508-H517 PolarHBondContact N-O 2.91Å; A508-H517 PolarHBondContact O-N 3.4Å; A508-I536 HydrophobicContact CB-CB 3.75Å; A508-I536 HydrophobicContact CB-CD1 3.96Å; A508-I536 HydrophobicContact CB-CG1 4.41Å; A508-I536 HydrophobicContact CB-CG2 4.1Å
509	R	92.3	Very high	91.8	Very high	116 Å²	116	59.4 Å²	59.4	44%	0.438	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	124	167.8	-164.9	175.8	179.2	-89.1	4.1	109.7	N314 P511 G514 Y516	N314-R509 PolarHBondContact OD1-N 3.41Å; R509-P511 WeakPolarHBondContact O-CD 3.47Å; R509-G514 PolarHBondContact NE-O 3.14Å; R509-Y516 HydrophobicContact CB-CD1 3.91Å; R509-Y516 HydrophobicContact CB-CE1 3.55Å; R509-Y516 HydrophobicContact CB-CE2 4.32Å; R509-Y516 HydrophobicContact CB-CG 4.43Å; R509-Y516 HydrophobicContact CG-CD2 4.44Å; R509-Y516 HydrophobicContact CG-CE1 4.23Å; R509-Y516 HydrophobicContact CG-CE2 4.1Å
510	D	87.2	Confident	91.9	Very high	29 Å²	29	54.2 Å²	54.2	16%	0.155	26%	0.26	C	S	.	.			trans	-63.5	124.6	168.1	-168.7	-29.3	0	0	0	109.8	A508 Y512 T513 G514 Q515 H517	A508-D510 PolarHBondContact O-N 3.41Å; D510-Y512 PolarHBondContact O-N 2.92Å; D510-Y512 PolarHBondContact OD1-N 2.93Å; D510-T513 WeakPolarHBondContact CB-OG1 3.34Å; D510-T513 PolarHBondContact OD1-N 3.2Å; D510-T513 PolarHBondContact OD2-OG1 3.2Å; D510-G514 WeakPolarHBondContact O-CA 3.26Å; D510-G514 PolarHBondContact O-N 2.91Å; D510-Q515 WeakPolarHBondContact CB-O 3.36Å; D510-Q515 PolarHBondContact N-O 3.39Å; D510-H517 IonicContact OD2-CE1 3.2Å
511	P	82.3	Confident	92.4	Very high	93 Å²	93	53.4 Å²	53.4	60%	0.604	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-26.5	176.9	24.7	-32.3	0	0	0	113.3	R509	R509-P511 WeakPolarHBondContact O-CD 3.47Å
512	Y	86.4	Confident	92.6	Very high	218 Å²	218	50.2 Å²	50.2	86%	0.855	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-51.8	-176.1	-58	-77.3	0	0	0	112.6	D510	D510-Y512 PolarHBondContact O-N 2.92Å; D510-Y512 PolarHBondContact OD1-N 2.93Å
513	T	88.1	Confident	92.6	Very high	86 Å²	86	51 Å²	51	53%	0.528	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-19.4	-178.6	63.9	0	0	0	0	112.6	D510 Q515	D510-T513 WeakPolarHBondContact CB-OG1 3.34Å; D510-T513 PolarHBondContact OD1-N 3.2Å; D510-T513 PolarHBondContact OD2-OG1 3.2Å; T513-Q515 PolarHBondContact O-N 3.22Å; T513-Q515 PolarHBondContact OG1-N 2.98Å
514	G	87.1	Confident	92.6	Very high	19 Å²	19	50.8 Å²	50.8	20%	0.196	24%	0.239	C	C	.	.			trans	71.8	1.8	-176.6	0	0	0	0	0	115	R509 D510	R509-G514 PolarHBondContact NE-O 3.14Å; D510-G514 WeakPolarHBondContact O-CA 3.26Å; D510-G514 PolarHBondContact O-N 2.91Å
515	Q	90.6	Very high	92.4	Very high	139 Å²	139	56.1 Å²	56.1	65%	0.65	26%	0.264	S	S	*	.			trans	-91.3	151.5	179.6	-64	-175.1	-4.5	0	0	111.2	D510 T513	D510-Q515 WeakPolarHBondContact CB-O 3.36Å; D510-Q515 PolarHBondContact N-O 3.39Å; T513-Q515 PolarHBondContact O-N 3.22Å; T513-Q515 PolarHBondContact OG1-N 2.98Å
516	Y	92.2	Very high	92	Very high	70 Å²	70	59 Å²	59	28%	0.275	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	130.9	174.5	-69.6	-93.7	0	0	0	110.1	S310 N314 Y507 A508 R509	S310-Y516 WeakPolarHBondContact O-CE1 3.47Å; N314-Y516 HydrophobicContact CB-CE1 3.9Å; Y507-Y516 HydrophobicContact CD1-CD1 4.47Å; Y507-Y516 AromaticContact CE1-CD1 3.8Å; Y507-Y516 HydrophobicContact CE1-CD1 3.8Å; Y507-Y516 HydrophobicContact CE1-CG 4.25Å; Y507-Y516 WeakPolarHBondContact OH-CB 3.44Å; A508-Y516 WeakPolarHBondContact O-CA 3.25Å; R509-Y516 HydrophobicContact CB-CD1 3.91Å; R509-Y516 HydrophobicContact CB-CE1 3.55Å; R509-Y516 HydrophobicContact CB-CE2 4.32Å; R509-Y516 HydrophobicContact CB-CG 4.43Å; R509-Y516 HydrophobicContact CG-CD2 4.44Å; R509-Y516 HydrophobicContact CG-CE1 4.23Å; R509-Y516 HydrophobicContact CG-CE2 4.1Å
517	H	92.5	Very high	91.7	Very high	75 Å²	75	60.6 Å²	60.6	35%	0.347	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	159.8	175.4	63.5	-94.5	0	0	0	111.5	A508 D510	A508-H517 PolarHBondContact N-O 2.91Å; A508-H517 PolarHBondContact O-N 3.4Å; D510-H517 IonicContact OD2-CE1 3.2Å
518	Y	94	Very high	91.6	Very high	31 Å²	31	67.1 Å²	67.1	12%	0.122	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	118.8	171	-66.1	-80.4	0	0	0	109.8	W299 R301 E302 Y507	W299-Y518 AromaticContact NE1-CE1 3.84Å; W299-Y518 AromaticContact NE1-CZ 3.79Å; W299-Y518 PolarHBondContact NE1-OH 3.49Å; R301-Y518 HydrophobicContact CB-CD1 4.46Å; R301-Y518 HydrophobicContact CB-CD2 4.1Å; R301-Y518 HydrophobicContact CB-CE2 4.39Å; R301-Y518 HydrophobicContact CB-CG 4.14Å; R301-Y518 HydrophobicContact CG-CD1 4.16Å; R301-Y518 HydrophobicContact CG-CD2 4.42Å; R301-Y518 HydrophobicContact CG-CG 3.96Å; R301-Y518 WeakPolarHBondContact O-CE2 3.37Å; E302-Y518 PolarHBondContact O-OH 3.11Å; Y507-Y518 AromaticContact CD2-CD1 3.79Å; Y507-Y518 HydrophobicContact CD2-CD1 3.79Å; Y507-Y518 HydrophobicContact CD2-CD2 4.07Å; Y507-Y518 AromaticContact CD2-CE1 3.49Å; Y507-Y518 HydrophobicContact CD2-CE1 3.49Å; Y507-Y518 VanDerWaalsContact CD2-CE1 3.49Å; Y507-Y518 AromaticContact CD2-CE2 3.81Å; Y507-Y518 HydrophobicContact CD2-CE2 3.81Å; Y507-Y518 HydrophobicContact CD2-CG 4.05Å; Y507-Y518 AromaticContact CD2-CZ 3.5Å; Y507-Y518 HydrophobicContact CE2-CD2 4.46Å; Y507-Y518 HydrophobicContact CE2-CE1 4.43Å; Y507-Y518 HydrophobicContact CE2-CE2 4.03Å; Y507-Y518 HydrophobicContact CG-CD1 4.37Å; Y507-Y518 HydrophobicContact CG-CE1 4.01Å
519	R	93.6	Very high	91.7	Very high	77 Å²	77	68.4 Å²	68.4	29%	0.291	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.5	177.5	-174.6	-179	65	163.7	3.5	110.3	Y505 N506 V521 R534	Y505-R519 CarbonylContact C-O 3.53Å; Y505-R519 WeakPolarHBondContact CA-O 3.43Å; N506-R519 PolarHBondContact N-O 3.25Å; N506-R519 PolarHBondContact O-N 2.97Å; N506-R519 PolarHBondContact OD1-NH2 2.76Å; R519-V521 PolarHBondContact O-N 2.88Å; R519-R534 PolarHBondContact NH2-O 2.92Å
520	L	94.5	Very high	91.8	Very high	56 Å²	56	66.2 Å²	66.2	29%	0.293	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	121.6	174.5	-176.8	65.5	0	0	0	109.8	Y505	Y505-L520 HydrophobicContact CD1-CB 4.11Å; Y505-L520 HydrophobicContact CD1-CD1 4.3Å; Y505-L520 HydrophobicContact CE1-CB 3.81Å; Y505-L520 HydrophobicContact CE1-CD1 3.88Å; Y505-L520 HydrophobicContact CE1-CG 4.43Å; Y505-L520 HydrophobicContact CE2-CD1 4.47Å
521	V	95.5	Very high	92.2	Very high	0 Å²	0	68 Å²	68	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	-12.7	-177.2	-67.7	0	0	0	0	113.8	L317 I504 N506 R519 M531 R532 A533	L317-V521 HydrophobicContact CD2-CG2 4.02Å; I504-V521 HydrophobicContact CB-CG2 4.44Å; I504-V521 HydrophobicContact CG2-CG2 4Å; I504-V521 VanDerWaalsContact O-CG2 3.31Å; I504-V521 WeakPolarHBondContact O-CG2 3.34Å; I504-V521 PolarHBondContact O-N 2.91Å; N506-V521 HydrophobicContact CB-CB 4.38Å; N506-V521 HydrophobicContact CB-CG1 3.58Å; N506-V521 HydrophobicContact CB-CG2 3.86Å; R519-V521 PolarHBondContact O-N 2.88Å; V521-M531 HydrophobicContact CB-CE 4.34Å; V521-M531 HydrophobicContact CG2-CE 4.17Å; V521-M531 CarbonylContact O-C 3.45Å; V521-R532 PolarHBondContact O-N 2.87Å; V521-A533 HydrophobicContact CG1-CB 4.33Å; V521-A533 PolarHBondContact O-N 3.11Å; V521-A533 VanDerWaalsContact O-N 3.07Å
522	G	96.3	Very high	92.6	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.4	178.9	177	0	0	0	0	0	113.3	I504 T530	I504-G522 WeakPolarHBondContact CB-O 3.02Å; I504-G522 PolarHBondContact N-O 2.82Å; I504-G522 PolarHBondContact O-N 3.37Å; G522-T530 CarbonylContact C-O 3.46Å; G522-T530 WeakPolarHBondContact CA-O 2.95Å
523	D	96	Very high	92.9	Very high	17 Å²	17	62.5 Å²	62.5	9%	0.091	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	157.1	177	-41.2	-82.3	0	0	0	110.7	Y502 T530 R532	Y502-D523 CarbonylContact O-C 3.52Å; Y502-D523 VanDerWaalsContact O-CA 3.24Å; Y502-D523 WeakPolarHBondContact O-CA 3.35Å; D523-T530 PolarHBondContact N-O 2.88Å; D523-T530 PolarHBondContact O-N 2.95Å; D523-R532 IonicContact OD1-CZ 2.72Å; D523-R532 IonicContact OD1-NE 3.78Å; D523-R532 IonicContact OD1-NH2 3.52Å; D523-R532 PolarHBondContact OD1-NH2 2.94Å; D523-R532 IonicContact OD2-CZ 2.99Å; D523-R532 IonicContact OD2-NE 2.89Å; D523-R532 PolarHBondContact OD2-NE 3.23Å; D523-R532 IonicContact OD2-NH2 3.48Å; D523-R532 PolarHBondContact OD2-NH2 3.35Å
524	F	96.2	Very high	93	Very high	2 Å²	2	66.3 Å²	66.3	1%	0.009	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	115.6	173.2	-175.9	-92.5	0	0	0	109.8	V189 Q192 A193 T196 Y502 K528 L529	V189-F524 HydrophobicContact CG1-CE1 4.13Å; Q192-F524 HydrophobicContact CB-CZ 4.24Å; Q192-F524 HydrophobicContact CG-CZ 3.86Å; A193-F524 HydrophobicContact CB-CB 3.9Å; A193-F524 HydrophobicContact CB-CD1 3.47Å; A193-F524 VanDerWaalsContact CB-CD1 3.47Å; A193-F524 HydrophobicContact CB-CD2 3.97Å; A193-F524 HydrophobicContact CB-CE1 3.88Å; A193-F524 HydrophobicContact CB-CE2 4.35Å; A193-F524 HydrophobicContact CB-CG 3.5Å; A193-F524 HydrophobicContact CB-CZ 4.29Å; T196-F524 HydrophobicContact CG2-CE2 4.28Å; Y502-F524 HydrophobicContact CD2-CD1 4.49Å; Y502-F524 PolarHBondContact N-O 3.42Å; Y502-F524 PolarHBondContact O-N 2.86Å; F524-K528 WeakPolarHBondContact CA-O 3.31Å; F524-L529 HydrophobicContact CD2-CB 4.15Å
525	Q	92.5	Very high	93.3	Very high	113 Å²	113	65.6 Å²	65.6	53%	0.528	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	135.8	-177.8	-178.8	179.1	24	0	0	110	Q501 G527 K528	Q501-Q525 HydrophobicContact CG-CB 4.35Å; Q501-Q525 HydrophobicContact CG-CG 3.91Å; Q525-G527 PolarHBondContact O-N 3.29Å; Q525-K528 PolarHBondContact N-O 2.96Å; Q525-K528 VanDerWaalsContact N-O 3.09Å; Q525-K528 PolarHBondContact O-N 3.05Å
526	G	88.6	Confident	93.3	Very high	84 Å²	84	59.8 Å²	59.8	87%	0.866	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	34.1	175.5	0	0	0	0	0	113.9	K528	G526-K528 PolarHBondContact O-N 2.66Å
527	G	89.3	Confident	93.3	Very high	35 Å²	35	56.7 Å²	56.7	36%	0.361	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	1.7	-177.3	0	0	0	0	0	115.1	Q525	Q525-G527 PolarHBondContact O-N 3.29Å
528	K	94.3	Very high	93.1	Very high	147 Å²	147	54 Å²	54	64%	0.639	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.6	-178.6	-174.5	179.9	176.8	-176.2	0	111.4	F524 Q525 G526	F524-K528 WeakPolarHBondContact CA-O 3.31Å; Q525-K528 PolarHBondContact N-O 2.96Å; Q525-K528 VanDerWaalsContact N-O 3.09Å; Q525-K528 PolarHBondContact O-N 3.05Å; G526-K528 PolarHBondContact O-N 2.66Å
529	L	95.3	Very high	92.6	Very high	29 Å²	29	54.9 Å²	54.9	15%	0.152	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	131.8	170.1	178.1	68.7	0	0	0	110.9	T196 L197 A200 I504 F524 M531	T196-L529 HydrophobicContact CG2-CB 3.73Å; T196-L529 HydrophobicContact CG2-CD2 4.26Å; L197-L529 HydrophobicContact CD1-CD1 4.26Å; L197-L529 HydrophobicContact CD1-CD2 4.09Å; A200-L529 HydrophobicContact CB-CD2 3.47Å; A200-L529 VanDerWaalsContact CB-CD2 3.47Å; I504-L529 HydrophobicContact CD1-CD1 3.15Å; F524-L529 HydrophobicContact CD2-CB 4.15Å; L529-M531 HydrophobicContact CD1-SD 4.14Å; L529-M531 HydrophobicContact CD2-SD 4.47Å; L529-M531 HydrophobicContact CG-SD 4.4Å
530	T	96.1	Very high	92.1	Very high	71 Å²	71	53.5 Å²	53.5	44%	0.436	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	115.3	173.9	-57	0	0	0	0	109.9	G522 D523	G522-T530 CarbonylContact C-O 3.46Å; G522-T530 WeakPolarHBondContact CA-O 2.95Å; D523-T530 PolarHBondContact N-O 2.88Å; D523-T530 PolarHBondContact O-N 2.95Å
531	M	94.3	Very high	91.3	Very high	66 Å²	66	56.4 Å²	56.4	33%	0.325	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	119.1	175.9	-62.7	-60.5	-67.6	0	0	110.1	L197 I504 V521 L529 P535	L197-M531 HydrophobicContact CD1-SD 4.07Å; I504-M531 HydrophobicContact CD1-SD 4.44Å; V521-M531 HydrophobicContact CB-CE 4.34Å; V521-M531 HydrophobicContact CG2-CE 4.17Å; V521-M531 CarbonylContact O-C 3.45Å; L529-M531 HydrophobicContact CD1-SD 4.14Å; L529-M531 HydrophobicContact CD2-SD 4.47Å; L529-M531 HydrophobicContact CG-SD 4.4Å; M531-P535 HydrophobicContact CE-CG 3.93Å
532	R	91.8	Very high	90.5	Very high	158 Å²	158	58 Å²	58	60%	0.596	33%	0.333	S	S	*	.	S	Bend	trans	-82.5	-30.8	176.8	-61.6	-174.2	-174.7	-177.6	7.3	112.7	V521 D523	V521-R532 PolarHBondContact O-N 2.87Å; D523-R532 IonicContact OD1-CZ 2.72Å; D523-R532 IonicContact OD1-NE 3.78Å; D523-R532 IonicContact OD1-NH2 3.52Å; D523-R532 PolarHBondContact OD1-NH2 2.94Å; D523-R532 IonicContact OD2-CZ 2.99Å; D523-R532 IonicContact OD2-NE 2.89Å; D523-R532 PolarHBondContact OD2-NE 3.23Å; D523-R532 IonicContact OD2-NH2 3.48Å; D523-R532 PolarHBondContact OD2-NH2 3.35Å
533	A	91.2	Very high	89.7	Confident	38 Å²	38	66.4 Å²	66.4	31%	0.314	37%	0.369	S	S	.	.	S	Bend	trans	-147.8	155.3	-177.7	0	0	0	0	0	111.3	V521 P535	V521-A533 HydrophobicContact CG1-CB 4.33Å; V521-A533 PolarHBondContact O-N 3.11Å; V521-A533 VanDerWaalsContact O-N 3.07Å; A533-P535 WeakPolarHBondContact O-CD 3.47Å
534	R	90.8	Very high	88.9	Confident	165 Å²	165	73 Å²	73	62%	0.623	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-72.8	127.7	173.4	-77.8	-173.4	-80.6	-171.9	-7.8	110.4	R519	R519-R534 PolarHBondContact NH2-O 2.92Å
535	P	92.7	Very high	88.2	Confident	4 Å²	4	78 Å²	78	3%	0.026	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-57.3	152.3	171	-26.1	36.7	0	0	0	112.6	L317 N506 M531 A533 W537 S542	L317-P535 HydrophobicContact CD1-CG 4.32Å; L317-P535 HydrophobicContact CD2-CB 3.93Å; L317-P535 HydrophobicContact CD2-CG 3.85Å; N506-P535 WeakPolarHBondContact OD1-CA 3.35Å; M531-P535 HydrophobicContact CE-CG 3.93Å; A533-P535 WeakPolarHBondContact O-CD 3.47Å; P535-W537 HydrophobicContact CB-CD2 4.34Å; P535-W537 HydrophobicContact CB-CE3 4.13Å; P535-W537 HydrophobicContact CB-CH2 3.72Å; P535-W537 HydrophobicContact CB-CZ2 3.93Å; P535-W537 HydrophobicContact CB-CZ3 3.82Å; P535-W537 HydrophobicContact CG-CH2 3.7Å; P535-W537 HydrophobicContact CG-CZ2 3.99Å; P535-W537 HydrophobicContact CG-CZ3 4.22Å; P535-S542 VanDerWaalsContact O-CB 3.3Å; P535-S542 WeakPolarHBondContact O-CB 3.42Å; P535-S542 PolarHBondContact O-OG 3.27Å
536	I	92.2	Very high	88	Confident	17 Å²	17	73 Å²	73	9%	0.087	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-90.7	120	164.7	-64.6	164.9	0	0	0	105.8	G315 N506 A508	G315-I536 VanDerWaalsContact CA-O 3.24Å; G315-I536 WeakPolarHBondContact CA-O 3.48Å; N506-I536 PolarHBondContact ND2-O 3.5Å; N506-I536 PolarHBondContact OD1-N 3.42Å; A508-I536 HydrophobicContact CB-CB 3.75Å; A508-I536 HydrophobicContact CB-CD1 3.96Å; A508-I536 HydrophobicContact CB-CG1 4.41Å; A508-I536 HydrophobicContact CB-CG2 4.1Å
537	W	92.2	Very high	88	Confident	5 Å²	5	73.6 Å²	73.6	2%	0.019	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-83.6	164.4	-177.3	-56.7	121.8	0	0	0	111.6	H201 W203 V292 L317 P535 G539 G540 E541 K544 F545 P546	H201-W537 AromaticContact CD2-CH2 3.48Å; H201-W537 VanDerWaalsContact CD2-CH2 3.48Å; H201-W537 WeakPolarHBondContact CD2-CH2 3.44Å; H201-W537 AromaticContact CD2-CZ2 3.68Å; H201-W537 AromaticContact NE2-CH2 3.64Å; H201-W537 AromaticContact NE2-CZ2 3.98Å; W203-W537 AromaticContact CH2-CH2 3.69Å; W203-W537 HydrophobicContact CH2-CH2 3.69Å; W203-W537 AromaticContact CH2-CZ3 3.63Å; W203-W537 HydrophobicContact CH2-CZ3 3.63Å; W203-W537 AromaticContact CZ2-CH2 3.83Å; W203-W537 HydrophobicContact CZ2-CH2 3.83Å; W203-W537 AromaticContact CZ2-CZ3 3.82Å; W203-W537 HydrophobicContact CZ2-CZ3 3.82Å; V292-W537 HydrophobicContact CG1-CE3 4.42Å; V292-W537 HydrophobicContact CG1-CZ3 4.29Å; L317-W537 HydrophobicContact CD1-CH2 4.24Å; L317-W537 HydrophobicContact CD1-CZ3 4.09Å; P535-W537 HydrophobicContact CB-CD2 4.34Å; P535-W537 HydrophobicContact CB-CE3 4.13Å; P535-W537 HydrophobicContact CB-CH2 3.72Å; P535-W537 HydrophobicContact CB-CZ2 3.93Å; P535-W537 HydrophobicContact CB-CZ3 3.82Å; P535-W537 HydrophobicContact CG-CH2 3.7Å; P535-W537 HydrophobicContact CG-CZ2 3.99Å; P535-W537 HydrophobicContact CG-CZ3 4.22Å; W537-G539 PolarHBondContact O-N 3.2Å; W537-G540 PolarHBondContact O-N 3.1Å; W537-E541 VanDerWaalsContact CB-O 3.29Å; W537-E541 WeakPolarHBondContact CB-O 3.43Å; W537-E541 VanDerWaalsContact CD1-O 3.24Å; W537-E541 PolarHBondContact N-O 3.34Å; W537-E541 VanDerWaalsContact N-O 3.16Å; W537-K544 VanDerWaalsContact CD1-O 3.27Å; W537-F545 AromaticContact CZ2-CD1 3.91Å; W537-F545 HydrophobicContact CZ2-CD1 3.91Å; W537-F545 AromaticContact CZ2-CE1 3.94Å; W537-F545 HydrophobicContact CZ2-CE1 3.94Å; W537-F545 AromaticContact NE1-CD1 3.81Å; W537-P546 HydrophobicContact CD2-CG 4.11Å; W537-P546 HydrophobicContact CE3-CG 4.11Å; W537-P546 HydrophobicContact CG-CG 4.35Å
538	P	87.2	Confident	88.2	Confident	19 Å²	19	71.9 Å²	71.9	12%	0.123	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	126.5	172	-25.8	33.8	0	0	0	111.2	N289 F291 V292	N289-P538 HydrophobicContact CB-CB 4Å; N289-P538 WeakPolarHBondContact O-CB 3.26Å; F291-P538 WeakPolarHBondContact O-CG 3.28Å; V292-P538 HydrophobicContact CG2-CG 3.82Å
539	G	84.9	Confident	88.1	Confident	50 Å²	50	68.8 Å²	68.8	52%	0.515	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.1	-11.9	-170.8	0	0	0	0	0	115.1	N289 W537	N289-G539 PolarHBondContact OD1-N 2.77Å; W537-G539 PolarHBondContact O-N 3.2Å
540	G	81.3	Confident	87.9	Confident	47 Å²	47	68 Å²	68	49%	0.485	35%	0.35	S	S	.	.	S	Bend	trans	92.4	2.2	175.2	0	0	0	0	0	115.2	W537	W537-G540 PolarHBondContact O-N 3.1Å
541	E	78.7	Confident	87.5	Confident	117 Å²	117	65.5 Å²	65.5	55%	0.547	34%	0.336	S	S	.	.			trans	-97.5	131.3	178.7	-67.3	-177.1	-170.8	0	0	111.9	W537 K544	W537-E541 VanDerWaalsContact CB-O 3.29Å; W537-E541 WeakPolarHBondContact CB-O 3.43Å; W537-E541 VanDerWaalsContact CD1-O 3.24Å; W537-E541 PolarHBondContact N-O 3.34Å; W537-E541 VanDerWaalsContact N-O 3.16Å; E541-K544 WeakPolarHBondContact OE2-CB 3.29Å
542	S	79.6	Confident	87.1	Confident	35 Å²	35	70.2 Å²	70.2	25%	0.245	36%	0.357	C	S	.	.	S	Bend	trans	-90.2	-15.7	170.7	-67	0	0	0	0	114	P535	P535-S542 VanDerWaalsContact O-CB 3.3Å; P535-S542 WeakPolarHBondContact O-CB 3.42Å; P535-S542 PolarHBondContact O-OG 3.27Å
543	K	78.5	Confident	86.8	Confident	176 Å²	176	68.4 Å²	68.4	77%	0.765	36%	0.355	S	S	*	.	S	Bend	trans	-83.9	-36.8	-175	-70.4	-175	-179	178.4	0	112.9	F545	K543-F545 PolarHBondContact O-N 3.27Å
544	K	78.7	Confident	86.7	Confident	154 Å²	154	67.6 Å²	67.6	67%	0.67	35%	0.347	S	S	*	.	S	Bend	trans	-86.9	99.5	-178.1	-171.8	175.9	-177.8	178	0	109.5	W537 E541	W537-K544 VanDerWaalsContact CD1-O 3.27Å; E541-K544 WeakPolarHBondContact OE2-CB 3.29Å
545	F	82.4	Confident	86.4	Confident	108 Å²	108	61.6 Å²	61.6	47%	0.474	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-66.8	130.9	176.1	-73.4	-90.2	0	0	0	110.2	W537 K543 V547	W537-F545 AromaticContact CZ2-CD1 3.91Å; W537-F545 HydrophobicContact CZ2-CD1 3.91Å; W537-F545 AromaticContact CZ2-CE1 3.94Å; W537-F545 HydrophobicContact CZ2-CE1 3.94Å; W537-F545 AromaticContact NE1-CD1 3.81Å; K543-F545 PolarHBondContact O-N 3.27Å; F545-V547 PolarHBondContact O-N 3.48Å
546	P	87.4	Confident	86	Confident	8 Å²	8	69.2 Å²	69.2	5%	0.052	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-68.8	124.6	173.6	27.1	-30.7	0	0	0	108.7	W203 V292 W537	W203-P546 HydrophobicContact CZ2-CG 3.85Å; W203-P546 PolarHBondContact NE1-O 2.97Å; V292-P546 HydrophobicContact CG2-CB 3.77Å; V292-P546 HydrophobicContact CG2-CG 3.57Å; W537-P546 HydrophobicContact CD2-CG 4.11Å; W537-P546 HydrophobicContact CE3-CG 4.11Å; W537-P546 HydrophobicContact CG-CG 4.35Å
547	V	89.7	Confident	85.7	Confident	96 Å²	96	68.8 Å²	68.8	58%	0.582	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-83.3	130.5	175.9	-177.6	0	0	0	0	108.7	F545 Q549	F545-V547 PolarHBondContact O-N 3.48Å; V547-Q549 HydrophobicContact CG1-CB 4.35Å; V547-Q549 HydrophobicContact CG1-CG 4.02Å
548	S	93.9	Very high	85.6	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	38%	0.383	C	S	.	.			trans	-137	81.4	176.8	-156.3	0	0	0	0	108.9	T204 Y205 R264 V265	T204-S548 PolarHBondContact N-O 2.83Å; T204-S548 VanDerWaalsContact N-O 3.16Å; Y205-S548 PolarHBondContact N-O 2.95Å; Y205-S548 VanDerWaalsContact N-O 3.1Å; Y205-S548 WeakPolarHBondContact O-CB 3.19Å; Y205-S548 PolarHBondContact O-OG 3.41Å; R264-S548 PolarHBondContact N-OG 2.95Å; V265-S548 PolarHBondContact N-OG 3.4Å; V265-S548 VanDerWaalsContact N-OG 3.15Å
549	Q	91.4	Very high	85.7	Confident	81 Å²	81	70.7 Å²	70.7	38%	0.379	38%	0.377	S	S	.	.			trans	-142.1	137.5	-175.4	-56.1	-177	7.5	0	0	108.2	N202 T204 V547	N202-Q549 PolarHBondContact O-NE2 3.43Å; T204-Q549 WeakPolarHBondContact OG1-CG 3.24Å; V547-Q549 HydrophobicContact CG1-CB 4.35Å; V547-Q549 HydrophobicContact CG1-CG 4.02Å
550	C	90.7	Very high	86	Confident	14 Å²	14	71 Å²	71	10%	0.095	36%	0.362	C	S	.	.	S	Bend	trans	-81.9	-36.6	-179.6	65.1	0	0	0	0	113.5	Y205 K262 C569	Y205-C550 HydrophobicContact CD1-CB 3.76Å; Y205-C550 HydrophobicContact CD2-CB 3.61Å; Y205-C550 HydrophobicContact CE1-CB 3.81Å; Y205-C550 HydrophobicContact CE2-CB 3.65Å; Y205-C550 HydrophobicContact CG-CB 3.65Å; K262-C550 VanDerWaalsContact CD-O 3.27Å; K262-C550 WeakPolarHBondContact CD-O 3.27Å; K262-C550 PolarHBondContact NZ-O 2.97Å; C550-C569 HydrophobicContact CB-CB 3.99Å; C550-C569 WeakPolarHBondContact CB-SG 3.47Å; C550-C569 WeakPolarHBondContact SG-CA 3.35Å; C550-C569 WeakPolarHBondContact SG-CB 3.47Å; C550-C569 CovalentContact SG-SG 2.03Å; C550-C569 PolarHBondContact SG-SG 2.91Å
551	S	89	Confident	86.4	Confident	18 Å²	18	74 Å²	74	13%	0.126	36%	0.359	C	S	.	.	S	Bend	trans	-130.6	138.9	-174.9	-63.2	0	0	0	0	110.3	W570	S551-W570 VanDerWaalsContact CB-O 3.22Å; S551-W570 WeakPolarHBondContact CB-O 3.49Å; S551-W570 PolarHBondContact OG-N 2.68Å; S551-W570 PolarHBondContact OG-O 3.39Å
552	E	85.2	Confident	86.7	Confident	164 Å²	164	73.3 Å²	73.3	77%	0.766	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-80.7	158.9	172	-64	-179.6	-177.8	0	0	110	W570	E552-W570 PolarHBondContact O-NE1 3.16Å
553	E	85.1	Confident	86.8	Confident	120 Å²	120	75.3 Å²	75.3	56%	0.561	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-67.6	138.3	174.1	-167.8	57.4	-123	0	0	110.2	R560	E553-R560 IonicContact OE1-CZ 2.83Å; E553-R560 IonicContact OE1-NE 3.45Å; E553-R560 PolarHBondContact OE1-NE 2.81Å; E553-R560 IonicContact OE1-NH2 3.57Å; E553-R560 PolarHBondContact OE1-NH2 2.92Å; E553-R560 IonicContact OE2-CZ 2.82Å; E553-R560 IonicContact OE2-NH2 2.67Å; E553-R560 PolarHBondContact OE2-NH2 3.24Å
554	C	89.3	Confident	86.7	Confident	22 Å²	22	77 Å²	77	15%	0.149	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-72.2	144.7	-177	-61	0	0	0	0	112.2	E558 C572	C554-E558 HydrophobicContact CB-CB 3.92Å; C554-C572 WeakPolarHBondContact CA-SG 3.17Å; C554-C572 HydrophobicContact CB-CB 3.75Å; C554-C572 WeakPolarHBondContact CB-SG 3.28Å; C554-C572 VanDerWaalsContact SG-CA 3.5Å; C554-C572 WeakPolarHBondContact SG-CB 3.33Å; C554-C572 CovalentContact SG-SG 2.05Å; C554-C572 PolarHBondContact SG-SG 2.89Å
555	G	85.1	Confident	86.4	Confident	39 Å²	39	79 Å²	79	40%	0.402	38%	0.382	S	S	.	.			trans	-72.5	178.6	-179.9	0	0	0	0	0	113.2	G557 E558	G555-G557 PolarHBondContact O-N 3.19Å; G555-E558 PolarHBondContact N-OE2 2.99Å; G555-E558 PolarHBondContact O-N 2.64Å
556	F	83.9	Confident	86.1	Confident	164 Å²	164	75.7 Å²	75.7	72%	0.719	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	131.3	173.6	-61.6	-71	0	0	0	110.8	E558	F556-E558 VanDerWaalsContact C-N 3.33Å
557	G	85.1	Confident	85.6	Confident	8 Å²	8	83.3 Å²	83.3	8%	0.082	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	80	10.2	-179.8	0	0	0	0	0	115.1	G555 C575	G555-G557 PolarHBondContact O-N 3.19Å; G557-C575 PolarHBondContact O-N 2.75Å
558	E	89.6	Confident	85.4	Confident	64 Å²	64	80.8 Å²	80.8	30%	0.299	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	151.8	176.4	-64.9	177.2	163.7	0	0	111.8	C554 G555 F556 C572 E573 T574	C554-E558 HydrophobicContact CB-CB 3.92Å; G555-E558 PolarHBondContact N-OE2 2.99Å; G555-E558 PolarHBondContact O-N 2.64Å; F556-E558 VanDerWaalsContact C-N 3.33Å; E558-C572 HydrophobicContact CB-CB 4.24Å; E558-C572 WeakPolarHBondContact OE2-CB 3.44Å; E558-E573 CarbonylContact C-O 3.56Å; E558-E573 VanDerWaalsContact CA-O 3.23Å; E558-E573 WeakPolarHBondContact CA-O 3.44Å; E558-T574 HydrophobicContact CG-CG2 3.74Å
559	V	90.5	Very high	85.2	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	153.5	175.5	-66.3	0	0	0	0	111.2	C572 E573 V581 C587	V559-C572 WeakPolarHBondContact O-CA 3.44Å; V559-E573 PolarHBondContact N-O 3.28Å; V559-E573 PolarHBondContact O-N 3.1Å; V559-V581 HydrophobicContact CG1-CG1 3.95Å; V559-V581 HydrophobicContact CG1-CG2 4.22Å; V559-C587 VanDerWaalsContact CG1-SG 3.59Å; V559-C587 VanDerWaalsContact CG2-SG 3.59Å
560	R	91.2	Very high	85.1	Confident	55 Å²	55	79.9 Å²	79.9	21%	0.208	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	127.3	178	-58.3	-178.1	-176.4	-178.8	1.3	110.8	E553 W570 L584 T585	E553-R560 IonicContact OE1-CZ 2.83Å; E553-R560 IonicContact OE1-NE 3.45Å; E553-R560 PolarHBondContact OE1-NE 2.81Å; E553-R560 IonicContact OE1-NH2 3.57Å; E553-R560 PolarHBondContact OE1-NH2 2.92Å; E553-R560 IonicContact OE2-CZ 2.82Å; E553-R560 IonicContact OE2-NH2 2.67Å; E553-R560 PolarHBondContact OE2-NH2 3.24Å; R560-W570 HydrophobicContact CB-CB 3.87Å; R560-W570 HydrophobicContact CB-CG 3.86Å; R560-W570 HydrophobicContact CG-CB 4.39Å; R560-W570 HydrophobicContact CG-CD2 4.24Å; R560-W570 HydrophobicContact CG-CG 3.83Å; R560-L584 WeakPolarHBondContact CB-O 3.31Å; R560-L584 PolarHBondContact N-O 3.31Å; R560-T585 HydrophobicContact CB-CG2 4.37Å
561	R	88.6	Confident	85	Confident	111 Å²	111	82.8 Å²	82.8	42%	0.419	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	105.8	166.4	-67.2	-58.9	-164.8	-163.5	-1.6	109.4	D563 W570 S571 E573 T585	R561-D563 PolarHBondContact O-N 3.1Å; R561-W570 CarbonylContact O-C 3.58Å; R561-W570 WeakPolarHBondContact O-CA 3.23Å; R561-S571 PolarHBondContact N-O 2.96Å; R561-S571 PolarHBondContact O-N 3.16Å; R561-S571 PolarHBondContact O-OG 3.35Å; R561-E573 HydrophobicContact CG-CB 4.04Å; R561-E573 IonicContact CZ-OE2 2.76Å; R561-E573 VanDerWaalsContact CZ-OE2 3.26Å; R561-E573 IonicContact NE-OE2 3.12Å; R561-E573 PolarHBondContact NE-OE2 3.11Å; R561-E573 IonicContact NH2-OE2 3.16Å; R561-E573 PolarHBondContact NH2-OE2 3.08Å; R561-T585 PolarHBondContact NH1-O 3.11Å
562	L	86.1	Confident	85.2	Confident	102 Å²	102	84.3 Å²	84.3	53%	0.534	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	133	179	-61.9	174.2	0	0	0	110.4	C569 W570	L562-C569 CarbonylContact C-O 3.51Å; L562-C569 WeakPolarHBondContact CA-O 3.37Å; L562-W570 HydrophobicContact CD2-CB 4.32Å
563	D	80.7	Confident	85.4	Confident	77 Å²	77	80.9 Å²	80.9	41%	0.412	40%	0.398	S	S	.	.			trans	-69.7	136.8	173.6	-169.1	-19	0	0	0	109.4	R561 K565 Q566 C569	R561-D563 PolarHBondContact O-N 3.1Å; D563-K565 VanDerWaalsContact C-N 3.3Å; D563-K565 PolarHBondContact O-N 2.7Å; D563-K565 PolarHBondContact OD1-N 3.07Å; D563-Q566 CarbonylContact O-C 3.54Å; D563-C569 PolarHBondContact N-O 2.98Å
564	K	76.9	Confident	85.6	Confident	212 Å²	212	79.6 Å²	79.6	92%	0.922	40%	0.398	S	S	*	.	S	Bend	trans	-67	-32.1	176.9	-65.4	-176.4	179.9	-180	0	112.2
565	K	73.6	Confident	85.6	Confident	195 Å²	195	78.8 Å²	78.8	85%	0.848	39%	0.393	S	S	*	.	S	Bend	trans	-81.4	-32.8	-178.5	-67.9	-175.1	179.1	-177.9	0	112.2	D563	D563-K565 VanDerWaalsContact C-N 3.3Å; D563-K565 PolarHBondContact O-N 2.7Å; D563-K565 PolarHBondContact OD1-N 3.07Å
566	Q	75.8	Confident	85.7	Confident	39 Å²	39	78.2 Å²	78.2	18%	0.182	39%	0.387	C	S	.	.			trans	-131.6	94.5	-177.6	-65.5	-168.8	-28.8	0	0	109.7	Y205 D563 C568 C569	Y205-Q566 PolarHBondContact OH-NE2 3.09Å; Y205-Q566 PolarHBondContact OH-OE1 2.9Å; D563-Q566 CarbonylContact O-C 3.54Å; Q566-C568 PolarHBondContact O-N 3.48Å; Q566-C569 HydrophobicContact CB-CB 4.05Å; Q566-C569 PolarHBondContact O-N 3.27Å; Q566-C569 PolarHBondContact OE1-SG 3.29Å
567	Q	75.8	Confident	85.9	Confident	169 Å²	169	75.4 Å²	75.4	79%	0.79	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-20.7	-170.2	-168.1	169.9	6.3	0	0	114.4
568	C	85.4	Confident	85.9	Confident	43 Å²	43	77.8 Å²	77.8	29%	0.291	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-18.4	177	67.8	0	0	0	0	113.9	C233 Q566 W570	C233-C568 HydrophobicContact CB-CB 3.47Å; C233-C568 VanDerWaalsContact CB-CB 3.47Å; C233-C568 WeakPolarHBondContact CB-SG 3.37Å; C233-C568 WeakPolarHBondContact SG-CB 3.39Å; C233-C568 CovalentContact SG-SG 1.99Å; C233-C568 PolarHBondContact SG-SG 3.39Å; Q566-C568 PolarHBondContact O-N 3.48Å; C568-W570 WeakPolarHBondContact O-CZ3 3.27Å
569	C	89.4	Confident	85.9	Confident	6 Å²	6	77.2 Å²	77.2	4%	0.041	39%	0.391	C	S	.	.			trans	-96.1	146.8	-174.9	-60.4	0	0	0	0	109.9	C550 L562 D563 Q566	C550-C569 HydrophobicContact CB-CB 3.99Å; C550-C569 WeakPolarHBondContact CB-SG 3.47Å; C550-C569 WeakPolarHBondContact SG-CA 3.35Å; C550-C569 WeakPolarHBondContact SG-CB 3.47Å; C550-C569 CovalentContact SG-SG 2.03Å; C550-C569 PolarHBondContact SG-SG 2.91Å; L562-C569 CarbonylContact C-O 3.51Å; L562-C569 WeakPolarHBondContact CA-O 3.37Å; D563-C569 PolarHBondContact N-O 2.98Å; Q566-C569 HydrophobicContact CB-CB 4.05Å; Q566-C569 PolarHBondContact O-N 3.27Å; Q566-C569 PolarHBondContact OE1-SG 3.29Å
570	W	89.5	Confident	85.8	Confident	56 Å²	56	80.9 Å²	80.9	21%	0.212	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	157.1	177.8	59.5	87	0	0	0	112.6	S551 E552 R560 R561 L562 C568	S551-W570 VanDerWaalsContact CB-O 3.22Å; S551-W570 WeakPolarHBondContact CB-O 3.49Å; S551-W570 PolarHBondContact OG-N 2.68Å; S551-W570 PolarHBondContact OG-O 3.39Å; E552-W570 PolarHBondContact O-NE1 3.16Å; R560-W570 HydrophobicContact CB-CB 3.87Å; R560-W570 HydrophobicContact CB-CG 3.86Å; R560-W570 HydrophobicContact CG-CB 4.39Å; R560-W570 HydrophobicContact CG-CD2 4.24Å; R560-W570 HydrophobicContact CG-CG 3.83Å; R561-W570 CarbonylContact O-C 3.58Å; R561-W570 WeakPolarHBondContact O-CA 3.23Å; L562-W570 HydrophobicContact CD2-CB 4.32Å; C568-W570 WeakPolarHBondContact O-CZ3 3.27Å
571	S	90	Very high	85.8	Confident	74 Å²	74	80 Å²	80	52%	0.517	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	150.2	162	52.5	0	0	0	0	109.1	R561	R561-S571 PolarHBondContact N-O 2.96Å; R561-S571 PolarHBondContact O-N 3.16Å; R561-S571 PolarHBondContact O-OG 3.35Å
572	C	91.5	Very high	85.8	Confident	51 Å²	51	78.2 Å²	78.2	35%	0.345	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	124.8	177.8	-59.8	0	0	0	0	109.1	C554 E558 V559	C554-C572 WeakPolarHBondContact CA-SG 3.17Å; C554-C572 HydrophobicContact CB-CB 3.75Å; C554-C572 WeakPolarHBondContact CB-SG 3.28Å; C554-C572 VanDerWaalsContact SG-CA 3.5Å; C554-C572 WeakPolarHBondContact SG-CB 3.33Å; C554-C572 CovalentContact SG-SG 2.05Å; C554-C572 PolarHBondContact SG-SG 2.89Å; E558-C572 HydrophobicContact CB-CB 4.24Å; E558-C572 WeakPolarHBondContact OE2-CB 3.44Å; V559-C572 WeakPolarHBondContact O-CA 3.44Å
573	E	89.8	Confident	85.8	Confident	92 Å²	92	77 Å²	77	43%	0.43	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.8	176.7	-174.3	-178	-171.5	0	0	109.2	E558 V559 R561 C575	E558-E573 CarbonylContact C-O 3.56Å; E558-E573 VanDerWaalsContact CA-O 3.23Å; E558-E573 WeakPolarHBondContact CA-O 3.44Å; V559-E573 PolarHBondContact N-O 3.28Å; V559-E573 PolarHBondContact O-N 3.1Å; R561-E573 HydrophobicContact CG-CB 4.04Å; R561-E573 IonicContact CZ-OE2 2.76Å; R561-E573 VanDerWaalsContact CZ-OE2 3.26Å; R561-E573 IonicContact NE-OE2 3.12Å; R561-E573 PolarHBondContact NE-OE2 3.11Å; R561-E573 IonicContact NH2-OE2 3.16Å; R561-E573 PolarHBondContact NH2-OE2 3.08Å; E573-C575 PolarHBondContact O-N 2.89Å
574	T	89.6	Confident	86	Confident	92 Å²	92	78.4 Å²	78.4	56%	0.564	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	128.6	175.8	54.2	0	0	0	0	110.7	E558	E558-T574 HydrophobicContact CG-CG2 3.74Å
575	C	90.4	Very high	86.5	Confident	6 Å²	6	71.4 Å²	71.4	4%	0.041	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-59	155	171.3	-65.8	0	0	0	0	111.4	G557 E573 Q579 V581 C587 K600	G557-C575 PolarHBondContact O-N 2.75Å; E573-C575 PolarHBondContact O-N 2.89Å; C575-Q579 HydrophobicContact CB-CB 4.1Å; C575-V581 WeakPolarHBondContact SG-CG2 3.32Å; C575-C587 WeakPolarHBondContact CA-SG 3.42Å; C575-C587 HydrophobicContact CB-CB 3.72Å; C575-C587 WeakPolarHBondContact CB-SG 3.33Å; C575-C587 WeakPolarHBondContact SG-CB 3.49Å; C575-C587 CovalentContact SG-SG 2.03Å; C575-C587 PolarHBondContact SG-SG 3.19Å; C575-K600 HydrophobicContact CB-CD 4.28Å; C575-K600 PolarHBondContact O-NZ 2.77Å
576	G	87.4	Confident	87.3	Confident	26 Å²	26	66.9 Å²	66.9	27%	0.268	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-54.5	164.9	173.5	0	0	0	0	0	113.8	D578 Q579 K600	G576-D578 VanDerWaalsContact C-N 3.26Å; G576-D578 PolarHBondContact O-N 3.4Å; G576-Q579 PolarHBondContact O-N 3.4Å; G576-K600 PolarHBondContact O-NZ 3.02Å
577	V	86.1	Confident	88.1	Confident	106 Å²	106	65.9 Å²	65.9	64%	0.642	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-27.4	-177.1	-68.7	0	0	0	0	113.4	W595 P596	V577-W595 WeakPolarHBondContact O-CZ2 3.35Å; V577-P596 WeakPolarHBondContact O-CG 3.32Å
578	D	85.6	Confident	88.8	Confident	57 Å²	57	61.9 Å²	61.9	31%	0.305	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	5	179.1	62.3	-43.1	0	0	0	112.4	G576 T589 C590 W595	G576-D578 VanDerWaalsContact C-N 3.26Å; G576-D578 PolarHBondContact O-N 3.4Å; D578-T589 WeakPolarHBondContact OD2-CG2 3.34Å; D578-T589 PolarHBondContact OD2-OG1 2.95Å; D578-C590 PolarHBondContact O-N 3.26Å; D578-W595 HydrophobicContact CB-CH2 4.21Å; D578-W595 HydrophobicContact CB-CZ3 4.18Å
579	Q	90.3	Very high	89	Confident	52 Å²	52	63.2 Å²	63.2	24%	0.243	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	149.4	-173.5	-62.6	-175.2	-26.4	0	0	112.5	C575 G576 C587 E588 T589	C575-Q579 HydrophobicContact CB-CB 4.1Å; G576-Q579 PolarHBondContact O-N 3.4Å; Q579-C587 HydrophobicContact CB-CB 4.17Å; Q579-E588 CarbonylContact C-O 3.51Å; Q579-E588 WeakPolarHBondContact CA-O 3.39Å; Q579-T589 PolarHBondContact NE2-OG1 3Å
580	R	88.9	Confident	89	Confident	77 Å²	77	63.6 Å²	63.6	29%	0.291	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	156.7	170.2	63.2	162.9	-175.6	176.9	1.8	111.6	V582 C587 E588 K600	R580-V582 HydrophobicContact CG-CG2 4.49Å; R580-V582 PolarHBondContact O-N 3.29Å; R580-C587 CarbonylContact O-C 3.54Å; R580-C587 VanDerWaalsContact O-CA 3.24Å; R580-C587 WeakPolarHBondContact O-CA 3.39Å; R580-E588 IonicContact CZ-OE2 2.91Å; R580-E588 PolarHBondContact N-O 3.3Å; R580-E588 IonicContact NE-OE2 3.68Å; R580-E588 IonicContact NH2-OE2 3.3Å; R580-E588 PolarHBondContact NH2-OE2 3.29Å; R580-E588 PolarHBondContact O-N 2.94Å; R580-K600 CarbonylContact C-O 3.58Å; R580-K600 VanDerWaalsContact CA-O 3.23Å; R580-K600 WeakPolarHBondContact CA-O 3.46Å; R580-K600 VanDerWaalsContact CB-O 3.29Å; R580-K600 WeakPolarHBondContact CB-O 3.42Å
581	V	90.4	Very high	88.9	Confident	38 Å²	38	64.6 Å²	64.6	23%	0.23	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	115.9	171	179.8	0	0	0	0	108.6	V559 C575 N583 K600	V559-V581 HydrophobicContact CG1-CG1 3.95Å; V559-V581 HydrophobicContact CG1-CG2 4.22Å; C575-V581 WeakPolarHBondContact SG-CG2 3.32Å; V581-N583 VanDerWaalsContact CG1-O 3.29Å; V581-N583 WeakPolarHBondContact CG1-O 3.33Å; V581-K600 PolarHBondContact N-O 3Å
582	V	87.8	Confident	88.6	Confident	73 Å²	73	67.2 Å²	67.2	44%	0.442	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-45.5	176.3	178.2	0	0	0	0	110.8	R580 H586 E588	R580-V582 HydrophobicContact CG-CG2 4.49Å; R580-V582 PolarHBondContact O-N 3.29Å; V582-H586 PolarHBondContact N-O 2.86Å; V582-E588 HydrophobicContact CG2-CB 3.37Å; V582-E588 HydrophobicContact CG2-CG 4.38Å; V582-E588 WeakPolarHBondContact CG2-OE2 3.44Å
583	N	87	Confident	88.1	Confident	76 Å²	76	67.6 Å²	67.6	41%	0.406	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	179.3	177.6	68.6	24.6	0	0	0	109.4	V581 T585 H586	V581-N583 VanDerWaalsContact CG1-O 3.29Å; V581-N583 WeakPolarHBondContact CG1-O 3.33Å; N583-T585 PolarHBondContact O-N 3.35Å; N583-T585 PolarHBondContact OD1-N 2.64Å; N583-T585 PolarHBondContact OD1-OG1 3.46Å; N583-H586 PolarHBondContact N-O 2.86Å; N583-H586 WeakPolarHBondContact OD1-CA 3.38Å; N583-H586 WeakPolarHBondContact OD1-CB 3.21Å; N583-H586 PolarHBondContact OD1-N 3.02Å
584	L	85.6	Confident	88	Confident	107 Å²	107	66.2 Å²	66.2	56%	0.56	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-13.1	-178.3	-71.9	167.4	0	0	0	114.7	R560	R560-L584 WeakPolarHBondContact CB-O 3.31Å; R560-L584 PolarHBondContact N-O 3.31Å
585	T	87.5	Confident	87.9	Confident	65 Å²	65	65.6 Å²	65.6	40%	0.399	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.6	-3.7	-173	57.5	0	0	0	0	114.5	R560 R561 N583	R560-T585 HydrophobicContact CB-CG2 4.37Å; R561-T585 PolarHBondContact NH1-O 3.11Å; N583-T585 PolarHBondContact O-N 3.35Å; N583-T585 PolarHBondContact OD1-N 2.64Å; N583-T585 PolarHBondContact OD1-OG1 3.46Å
586	H	90.3	Very high	87.8	Confident	99 Å²	99	65.9 Å²	65.9	46%	0.458	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	128	-166.7	-167.7	67.9	0	0	0	112.5	V582 N583	V582-H586 PolarHBondContact N-O 2.86Å; N583-H586 PolarHBondContact N-O 2.86Å; N583-H586 WeakPolarHBondContact OD1-CA 3.38Å; N583-H586 WeakPolarHBondContact OD1-CB 3.21Å; N583-H586 PolarHBondContact OD1-N 3.02Å
587	C	92.3	Very high	87.7	Confident	18 Å²	18	65 Å²	65	12%	0.122	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	143.1	170.7	-51.8	0	0	0	0	109.7	V559 C575 Q579 R580	V559-C587 VanDerWaalsContact CG1-SG 3.59Å; V559-C587 VanDerWaalsContact CG2-SG 3.59Å; C575-C587 WeakPolarHBondContact CA-SG 3.42Å; C575-C587 HydrophobicContact CB-CB 3.72Å; C575-C587 WeakPolarHBondContact CB-SG 3.33Å; C575-C587 WeakPolarHBondContact SG-CB 3.49Å; C575-C587 CovalentContact SG-SG 2.03Å; C575-C587 PolarHBondContact SG-SG 3.19Å; Q579-C587 HydrophobicContact CB-CB 4.17Å; R580-C587 CarbonylContact O-C 3.54Å; R580-C587 VanDerWaalsContact O-CA 3.24Å; R580-C587 WeakPolarHBondContact O-CA 3.39Å
588	E	89.9	Confident	87.5	Confident	86 Å²	86	70.4 Å²	70.4	40%	0.402	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138	178	-177.5	-172.4	-152.4	0	0	110	Q579 R580 V582	Q579-E588 CarbonylContact C-O 3.51Å; Q579-E588 WeakPolarHBondContact CA-O 3.39Å; R580-E588 IonicContact CZ-OE2 2.91Å; R580-E588 PolarHBondContact N-O 3.3Å; R580-E588 IonicContact NE-OE2 3.68Å; R580-E588 IonicContact NH2-OE2 3.3Å; R580-E588 PolarHBondContact NH2-OE2 3.29Å; R580-E588 PolarHBondContact O-N 2.94Å; V582-E588 HydrophobicContact CG2-CB 3.37Å; V582-E588 HydrophobicContact CG2-CG 4.38Å; V582-E588 WeakPolarHBondContact CG2-OE2 3.44Å
589	T	89.6	Confident	87.5	Confident	70 Å²	70	70.7 Å²	70.7	43%	0.429	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	134.7	175	-65.9	0	0	0	0	111	D578 Q579	D578-T589 WeakPolarHBondContact OD2-CG2 3.34Å; D578-T589 PolarHBondContact OD2-OG1 2.95Å; Q579-T589 PolarHBondContact NE2-OG1 3Å
590	C	88.9	Confident	87.3	Confident	14 Å²	14	70.3 Å²	70.3	10%	0.095	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-63	146.5	177.2	-75.1	0	0	0	0	111.9	D578 H594 C603	D578-C590 PolarHBondContact O-N 3.26Å; C590-H594 HydrophobicContact CB-CB 4.31Å; C590-C603 WeakPolarHBondContact CA-SG 3.48Å; C590-C603 HydrophobicContact CB-CB 3.84Å; C590-C603 WeakPolarHBondContact CB-SG 2.99Å; C590-C603 WeakPolarHBondContact SG-CB 3.45Å; C590-C603 CovalentContact SG-SG 2.05Å; C590-C603 PolarHBondContact SG-SG 3.44Å
591	P	88	Confident	87.1	Confident	77 Å²	77	73.7 Å²	73.7	50%	0.5	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-64.3	161	178.5	26.6	-33.3	0	0	0	111.4	Q593 H594	P591-Q593 PolarHBondContact O-N 2.74Å; P591-H594 HydrophobicContact CG-CB 4.03Å; P591-H594 WeakPolarHBondContact O-CB 3.34Å; P591-H594 PolarHBondContact O-N 3Å
592	F	83	Confident	87	Confident	130 Å²	130	75.4 Å²	75.4	57%	0.57	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	138.2	177	-175.2	-115.1	0	0	0	110.9	H594	F592-H594 VanDerWaalsContact C-N 3.27Å; F592-H594 PolarHBondContact O-N 3.08Å; F592-H594 PolarHBondContact O-ND1 2.66Å
593	Q	82.2	Confident	87.1	Confident	59 Å²	59	73.3 Å²	73.3	28%	0.276	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	6.9	-172.9	-47.3	179	-12.2	0	0	117.4	P591 L605 L606 L765	P591-Q593 PolarHBondContact O-N 2.74Å; Q593-L605 HydrophobicContact CB-CD1 4.25Å; Q593-L606 WeakPolarHBondContact O-CB 3.48Å; Q593-L606 PolarHBondContact O-N 3.26Å; Q593-L765 HydrophobicContact CB-CD1 3.85Å; Q593-L765 HydrophobicContact CG-CD1 3.9Å
594	H	87.6	Confident	87.1	Confident	63 Å²	63	75.4 Å²	75.4	29%	0.292	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	152.4	177.2	-59.1	68.6	0	0	0	111.7	C590 P591 F592 C603 E604	C590-H594 HydrophobicContact CB-CB 4.31Å; P591-H594 HydrophobicContact CG-CB 4.03Å; P591-H594 WeakPolarHBondContact O-CB 3.34Å; P591-H594 PolarHBondContact O-N 3Å; F592-H594 VanDerWaalsContact C-N 3.27Å; F592-H594 PolarHBondContact O-N 3.08Å; F592-H594 PolarHBondContact O-ND1 2.66Å; H594-C603 HydrophobicContact CB-CB 3.86Å; H594-E604 CarbonylContact C-O 2.97Å; H594-E604 WeakPolarHBondContact CA-O 3.4Å; H594-E604 WeakPolarHBondContact CB-O 3.4Å
595	W	87	Confident	87.1	Confident	78 Å²	78	76 Å²	76	30%	0.295	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144	-179.3	-162.1	-97.3	0	0	0	111.1	V577 D578 C603 E604 L606 P762	V577-W595 WeakPolarHBondContact O-CZ2 3.35Å; D578-W595 HydrophobicContact CB-CH2 4.21Å; D578-W595 HydrophobicContact CB-CZ3 4.18Å; W595-C603 CarbonylContact O-C 3.59Å; W595-C603 WeakPolarHBondContact O-CA 3.41Å; W595-E604 PolarHBondContact N-O 3.17Å; W595-E604 PolarHBondContact O-N 2.86Å; W595-L606 HydrophobicContact CB-CD1 4.47Å; W595-L606 HydrophobicContact CB-CD2 3.63Å; W595-L606 HydrophobicContact CB-CG 4.02Å; W595-L606 HydrophobicContact CG-CD2 4.25Å; W595-P762 HydrophobicContact CH2-CB 3.81Å; W595-P762 HydrophobicContact CZ3-CB 4.19Å
596	P	88.1	Confident	87	Confident	12 Å²	12	74.3 Å²	74.3	8%	0.078	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	143.3	179.6	25.2	-34.3	0	0	0	112.1	V577 K600 T602	V577-P596 WeakPolarHBondContact O-CG 3.32Å; P596-K600 HydrophobicContact CB-CG 4.47Å; P596-T602 CarbonylContact C-O 3.6Å; P596-T602 WeakPolarHBondContact CA-O 3.39Å
597	S	86.2	Confident	86.6	Confident	7 Å²	7	77 Å²	77	5%	0.049	38%	0.375	C	S	.	.			trans	-60.8	166	171.7	62	0	0	0	0	111.6	D599 K600 R601 T602	S597-D599 VanDerWaalsContact CB-OD1 3.22Å; S597-D599 WeakPolarHBondContact CB-OD1 3.43Å; S597-D599 PolarHBondContact O-N 3.11Å; S597-D599 PolarHBondContact OG-OD1 3.09Å; S597-K600 WeakPolarHBondContact O-CA 3.43Å; S597-K600 PolarHBondContact O-N 3.38Å; S597-K600 PolarHBondContact OG-N 3.34Å; S597-R601 PolarHBondContact OG-N 3.19Å; S597-R601 VanDerWaalsContact OG-N 3.15Å; S597-T602 PolarHBondContact N-O 2.96Å; S597-T602 PolarHBondContact OG-N 3.27Å; S597-T602 PolarHBondContact OG-O 2.99Å; S597-T602 PolarHBondContact OG-OG1 3.35Å
598	K	82.1	Confident	86.3	Confident	220 Å²	220	79.1 Å²	79.1	96%	0.957	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-33.3	178.5	-72.5	-174.7	179.3	178	0	113.5	K600	K598-K600 VanDerWaalsContact C-N 3.35Å
599	D	84.1	Confident	85.9	Confident	64 Å²	64	77.9 Å²	77.9	34%	0.342	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	2.2	175.8	65.3	-32.9	0	0	0	113.5	S597 R601	S597-D599 VanDerWaalsContact CB-OD1 3.22Å; S597-D599 WeakPolarHBondContact CB-OD1 3.43Å; S597-D599 PolarHBondContact O-N 3.11Å; S597-D599 PolarHBondContact OG-OD1 3.09Å; D599-R601 VanDerWaalsContact C-N 3.25Å; D599-R601 HydrophobicContact CB-CG 4.43Å; D599-R601 PolarHBondContact O-N 3.49Å; D599-R601 WeakPolarHBondContact OD2-CD 3.32Å; D599-R601 WeakPolarHBondContact OD2-CG 3.37Å; D599-R601 IonicContact OD2-NE 2.75Å; D599-R601 PolarHBondContact OD2-NE 3.43Å
600	K	85.8	Confident	85.7	Confident	44 Å²	44	78.2 Å²	78.2	19%	0.191	37%	0.373	C	S	.	.	S	Bend	trans	53.9	33.8	179.9	-57.2	-167.3	178.1	-164.6	0	114.4	C575 G576 R580 V581 P596 S597 K598	C575-K600 HydrophobicContact CB-CD 4.28Å; C575-K600 PolarHBondContact O-NZ 2.77Å; G576-K600 PolarHBondContact O-NZ 3.02Å; R580-K600 CarbonylContact C-O 3.58Å; R580-K600 VanDerWaalsContact CA-O 3.23Å; R580-K600 WeakPolarHBondContact CA-O 3.46Å; R580-K600 VanDerWaalsContact CB-O 3.29Å; R580-K600 WeakPolarHBondContact CB-O 3.42Å; V581-K600 PolarHBondContact N-O 3Å; P596-K600 HydrophobicContact CB-CG 4.47Å; S597-K600 WeakPolarHBondContact O-CA 3.43Å; S597-K600 PolarHBondContact O-N 3.38Å; S597-K600 PolarHBondContact OG-N 3.34Å; K598-K600 VanDerWaalsContact C-N 3.35Å
601	R	86.6	Confident	85.5	Confident	147 Å²	147	78 Å²	78	56%	0.555	37%	0.37	S	S	*	.	S	Bend	trans	-96.3	-36.5	177.1	-66.7	-171.6	-173.8	-105.9	-4.4	112.6	S597 D599	S597-R601 PolarHBondContact OG-N 3.19Å; S597-R601 VanDerWaalsContact OG-N 3.15Å; D599-R601 VanDerWaalsContact C-N 3.25Å; D599-R601 HydrophobicContact CB-CG 4.43Å; D599-R601 PolarHBondContact O-N 3.49Å; D599-R601 WeakPolarHBondContact OD2-CD 3.32Å; D599-R601 WeakPolarHBondContact OD2-CG 3.37Å; D599-R601 IonicContact OD2-NE 2.75Å; D599-R601 PolarHBondContact OD2-NE 3.43Å
602	T	87.4	Confident	85.3	Confident	75 Å²	75	77.5 Å²	77.5	46%	0.46	36%	0.364	S	S	.	.	S	Bend	trans	-125.5	154.9	-174.4	52	0	0	0	0	111	P596 S597	P596-T602 CarbonylContact C-O 3.6Å; P596-T602 WeakPolarHBondContact CA-O 3.39Å; S597-T602 PolarHBondContact N-O 2.96Å; S597-T602 PolarHBondContact OG-N 3.27Å; S597-T602 PolarHBondContact OG-O 2.99Å; S597-T602 PolarHBondContact OG-OG1 3.35Å
603	C	89.4	Confident	85.4	Confident	29 Å²	29	77 Å²	77	20%	0.196	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.6	171.7	-62	0	0	0	0	108.4	C590 H594 W595	C590-C603 WeakPolarHBondContact CA-SG 3.48Å; C590-C603 HydrophobicContact CB-CB 3.84Å; C590-C603 WeakPolarHBondContact CB-SG 2.99Å; C590-C603 WeakPolarHBondContact SG-CB 3.45Å; C590-C603 CovalentContact SG-SG 2.05Å; C590-C603 PolarHBondContact SG-SG 3.44Å; H594-C603 HydrophobicContact CB-CB 3.86Å; W595-C603 CarbonylContact O-C 3.59Å; W595-C603 WeakPolarHBondContact O-CA 3.41Å
604	E	87.1	Confident	85.6	Confident	119 Å²	119	78.8 Å²	78.8	56%	0.556	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	146.6	179.5	-67	176.3	-172.2	0	0	110.5	H594 W595 L606	H594-E604 CarbonylContact C-O 2.97Å; H594-E604 WeakPolarHBondContact CA-O 3.4Å; H594-E604 WeakPolarHBondContact CB-O 3.4Å; W595-E604 PolarHBondContact N-O 3.17Å; W595-E604 PolarHBondContact O-N 2.86Å; E604-L606 PolarHBondContact O-N 2.75Å
605	L	86.3	Confident	85.8	Confident	119 Å²	119	77.1 Å²	77.1	62%	0.623	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	130.9	178.3	-171.5	76	0	0	0	110.2	Q593	Q593-L605 HydrophobicContact CB-CD1 4.25Å
606	L	84.2	Confident	85.9	Confident	31 Å²	31	82.1 Å²	82.1	16%	0.162	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-71.1	138.3	175.7	-73.4	169.8	0	0	0	111.3	Q593 W595 E604 G763 L765	Q593-L606 WeakPolarHBondContact O-CB 3.48Å; Q593-L606 PolarHBondContact O-N 3.26Å; W595-L606 HydrophobicContact CB-CD1 4.47Å; W595-L606 HydrophobicContact CB-CD2 3.63Å; W595-L606 HydrophobicContact CB-CG 4.02Å; W595-L606 HydrophobicContact CG-CD2 4.25Å; E604-L606 PolarHBondContact O-N 2.75Å; L606-G763 VanDerWaalsContact CD2-O 3.29Å; L606-G763 WeakPolarHBondContact CD2-O 3.41Å; L606-L765 HydrophobicContact CB-CD1 3.59Å; L606-L765 HydrophobicContact CB-CG 4.1Å; L606-L765 HydrophobicContact CD1-CD1 3.88Å; L606-L765 HydrophobicContact CD1-CD2 4.44Å; L606-L765 HydrophobicContact CD1-CG 3.86Å; L606-L765 HydrophobicContact CG-CD1 4.39Å
607	E	82.8	Confident	86.1	Confident	156 Å²	156	84.9 Å²	84.9	73%	0.729	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-69.7	135.6	171.7	-64.3	-172.6	167.7	0	0	110.6	H609	E607-H609 PolarHBondContact O-N 2.77Å
608	L	85.1	Confident	86.4	Confident	62 Å²	62	84.5 Å²	84.5	33%	0.325	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	112.7	178.6	-64.7	175.1	0	0	0	110	I757 L765	L608-I757 HydrophobicContact CD1-CD1 4.11Å; L608-I757 HydrophobicContact CD2-CD1 3.89Å; L608-I757 HydrophobicContact CD2-CG1 4.08Å; L608-I757 HydrophobicContact CD2-CG2 3.77Å; L608-L765 HydrophobicContact CD2-CB 3.82Å; L608-L765 HydrophobicContact CD2-CD1 3.94Å
609	H	82.3	Confident	87	Confident	59 Å²	59	77.2 Å²	77.2	27%	0.273	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	139.2	176.9	-65.4	-81.3	0	0	0	111.6	E607 Y764 L765 V766 L767	E607-H609 PolarHBondContact O-N 2.77Å; H609-Y764 HydrophobicContact CB-CE1 4.2Å; H609-Y764 HydrophobicContact CB-CE2 4.18Å; H609-Y764 WeakPolarHBondContact CB-OH 3.44Å; H609-Y764 AromaticContact CD2-CD2 3.6Å; H609-Y764 AromaticContact CD2-CE2 3.18Å; H609-Y764 WeakPolarHBondContact CD2-CE2 3.3Å; H609-Y764 AromaticContact CD2-CZ 3.61Å; H609-Y764 AromaticContact CE1-CE2 3.94Å; H609-Y764 AromaticContact CG-CE2 3.53Å; H609-Y764 AromaticContact CG-CZ 3.54Å; H609-Y764 AromaticContact ND1-CE2 3.98Å; H609-Y764 AromaticContact NE2-CD2 3.82Å; H609-Y764 AromaticContact NE2-CE2 3.44Å; H609-Y764 WeakPolarHBondContact NE2-CE2 3.41Å; H609-L765 PolarHBondContact N-O 3.47Å; H609-V766 HydrophobicContact CB-CG2 4.42Å; H609-V766 VanDerWaalsContact O-CA 3.27Å; H609-V766 WeakPolarHBondContact O-CA 3.28Å; H609-L767 PolarHBondContact O-N 3Å
610	Y	85.8	Confident	87.4	Confident	77 Å²	77	76.6 Å²	76.6	30%	0.302	38%	0.375	S	S	.	.			trans	-137	-179.2	169.7	55.3	-83.1	0	0	0	108.2	D612 R676	Y610-D612 PolarHBondContact O-N 3.32Å; Y610-R676 HydrophobicContact CD2-CB 4.41Å; Y610-R676 HydrophobicContact CD2-CG 4.5Å; Y610-R676 HydrophobicContact CE2-CB 4.31Å; Y610-R676 HydrophobicContact CE2-CG 4.47Å
611	I	83.5	Confident	87.8	Confident	9 Å²	9	74.5 Å²	74.5	5%	0.046	37%	0.366	C	S	.	.			trans	-67.5	108.7	176.5	-63.6	178.1	0	0	0	108.6	A618 I674 Q836 I839	I611-A618 HydrophobicContact CG2-CB 3.89Å; I611-I674 HydrophobicContact CG2-CG2 4.21Å; I611-Q836 HydrophobicContact CG1-CG 4.23Å; I611-I839 HydrophobicContact CD1-CB 3.65Å; I611-I839 HydrophobicContact CD1-CD1 3.69Å; I611-I839 HydrophobicContact CD1-CG1 4.22Å; I611-I839 HydrophobicContact CD1-CG2 3.75Å
612	D	84.3	Confident	88.2	Confident	67 Å²	67	69.2 Å²	69.2	36%	0.358	35%	0.349	S	S	.	.			trans	-68.8	136.1	172	-68.1	-49.6	0	0	0	110.4	Y610 S614 T615	Y610-D612 PolarHBondContact O-N 3.32Å; D612-S614 PolarHBondContact O-N 3.34Å; D612-S614 VanDerWaalsContact O-N 3.14Å; D612-T615 HydrophobicContact CB-CG2 4.03Å; D612-T615 WeakPolarHBondContact O-CB 3.48Å; D612-T615 PolarHBondContact O-N 3.08Å; D612-T615 PolarHBondContact O-OG1 2.94Å
613	I	85.9	Confident	88.6	Confident	120 Å²	120	69.6 Å²	69.6	62%	0.615	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.5	-179.4	-62.5	171.2	0	0	0	111.5	T615 I619	I613-T615 VanDerWaalsContact C-N 3.28Å; I613-T615 PolarHBondContact O-N 2.69Å; I613-I619 WeakPolarHBondContact O-CG1 3.1Å
614	S	86.2	Confident	88.9	Confident	96 Å²	96	71.6 Å²	71.6	67%	0.671	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-13.9	174.9	55.4	0	0	0	0	113.9	D612 I619	D612-S614 PolarHBondContact O-N 3.34Å; D612-S614 VanDerWaalsContact O-N 3.14Å; S614-I619 WeakPolarHBondContact O-CD1 3.4Å
615	T	90.7	Very high	89.4	Confident	29 Å²	29	66 Å²	66	18%	0.178	33%	0.33	C	S	.	.	S	Bend	trans	-77.9	147.7	-178	62.8	0	0	0	0	111.9	D612 I613 F617 A618 I619	D612-T615 HydrophobicContact CB-CG2 4.03Å; D612-T615 WeakPolarHBondContact O-CB 3.48Å; D612-T615 PolarHBondContact O-N 3.08Å; D612-T615 PolarHBondContact O-OG1 2.94Å; I613-T615 VanDerWaalsContact C-N 3.28Å; I613-T615 PolarHBondContact O-N 2.69Å; T615-F617 PolarHBondContact O-N 3.06Å; T615-A618 WeakPolarHBondContact O-CB 3.25Å; T615-A618 PolarHBondContact O-N 3.09Å; T615-I619 WeakPolarHBondContact O-CG1 3.21Å; T615-I619 PolarHBondContact O-N 3.26Å
616	W	91	Very high	89.9	Confident	182 Å²	182	62.5 Å²	62.5	69%	0.689	32%	0.316	S	S	*	.	H	α-helix	trans	-55.7	-33.2	173.9	-64.9	105.8	0	0	0	112.8	A618 I619 V620	W616-A618 PolarHBondContact O-N 3.4Å; W616-I619 PolarHBondContact O-N 2.96Å; W616-V620 WeakPolarHBondContact O-CG2 3.41Å; W616-V620 PolarHBondContact O-N 2.77Å; W616-V620 VanDerWaalsContact O-N 3.16Å
617	F	92	Very high	90.4	Very high	70 Å²	70	65.8 Å²	65.8	31%	0.307	33%	0.334	S	S	.	.	H	α-helix	trans	-63.6	-23.8	176	-59.2	-65	0	0	0	113.3	T615 P621 Q836 I837 A840	T615-F617 PolarHBondContact O-N 3.06Å; F617-P621 WeakPolarHBondContact O-CD 3.35Å; F617-P621 VanDerWaalsContact O-CG 3.28Å; F617-P621 WeakPolarHBondContact O-CG 3.35Å; F617-Q836 HydrophobicContact CB-CB 4.27Å; F617-Q836 HydrophobicContact CD2-CB 3.8Å; F617-Q836 VanDerWaalsContact CD2-OE1 3.28Å; F617-Q836 HydrophobicContact CE2-CB 4.33Å; F617-Q836 HydrophobicContact CG-CB 4.02Å; F617-I837 HydrophobicContact CD1-CG1 4.46Å; F617-I837 HydrophobicContact CE1-CG1 3.81Å; F617-I837 HydrophobicContact CZ-CG1 4.07Å; F617-A840 HydrophobicContact CB-CB 4.16Å; F617-A840 HydrophobicContact CD1-CB 4.32Å
618	A	92.5	Very high	91.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-93.5	-44.5	173.4	0	0	0	0	0	112.8	I611 T615 W616 V620 P621 I622 I674	I611-A618 HydrophobicContact CG2-CB 3.89Å; T615-A618 WeakPolarHBondContact O-CB 3.25Å; T615-A618 PolarHBondContact O-N 3.09Å; W616-A618 PolarHBondContact O-N 3.4Å; A618-V620 PolarHBondContact O-N 2.81Å; A618-P621 WeakPolarHBondContact O-CD 3.48Å; A618-I622 HydrophobicContact CB-CD1 4.4Å; A618-I622 WeakPolarHBondContact O-CB 3.17Å; A618-I622 WeakPolarHBondContact O-CD1 3.36Å; A618-I622 WeakPolarHBondContact O-CG1 3.4Å; A618-I622 PolarHBondContact O-N 3.46Å; A618-I622 VanDerWaalsContact O-N 3.12Å; A618-I674 HydrophobicContact CB-CD1 4.48Å; A618-I674 HydrophobicContact CB-CG2 3.79Å
619	I	93.5	Very high	91.7	Very high	66 Å²	66	58.1 Å²	58.1	34%	0.338	30%	0.298	S	S	.	.	H	α-helix	trans	-62.4	-44.2	-174.6	-65.3	168.9	0	0	0	111.4	I613 S614 T615 W616 I622 T623	I613-I619 WeakPolarHBondContact O-CG1 3.1Å; S614-I619 WeakPolarHBondContact O-CD1 3.4Å; T615-I619 WeakPolarHBondContact O-CG1 3.21Å; T615-I619 PolarHBondContact O-N 3.26Å; W616-I619 PolarHBondContact O-N 2.96Å; I619-I622 PolarHBondContact O-N 2.94Å; I619-T623 HydrophobicContact CG2-CG2 4.17Å; I619-T623 WeakPolarHBondContact O-CB 3.3Å; I619-T623 VanDerWaalsContact O-CG2 3.29Å; I619-T623 WeakPolarHBondContact O-CG2 3.12Å; I619-T623 PolarHBondContact O-N 3.1Å; I619-T623 PolarHBondContact O-OG1 3.14Å
620	V	93	Very high	92.5	Very high	51 Å²	51	61.4 Å²	61.4	31%	0.309	32%	0.317	S	S	.	.	H	α-helix	trans	-64.4	-50.1	-176.3	172.2	0	0	0	0	111.8	W616 A618 I622 T623 F624	W616-V620 WeakPolarHBondContact O-CG2 3.41Å; W616-V620 PolarHBondContact O-N 2.77Å; W616-V620 VanDerWaalsContact O-N 3.16Å; A618-V620 PolarHBondContact O-N 2.81Å; V620-I622 PolarHBondContact O-N 3.3Å; V620-T623 PolarHBondContact O-OG1 3.44Å; V620-F624 WeakPolarHBondContact O-CB 3.17Å; V620-F624 PolarHBondContact O-N 3.32Å
621	P	94.7	Very high	93	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-67.2	-34.7	176.4	-21.1	32.4	0	0	0	114.3	F617 A618 S625 I674 A840 C843 I844 N847	F617-P621 WeakPolarHBondContact O-CD 3.35Å; F617-P621 VanDerWaalsContact O-CG 3.28Å; F617-P621 WeakPolarHBondContact O-CG 3.35Å; A618-P621 WeakPolarHBondContact O-CD 3.48Å; P621-S625 VanDerWaalsContact O-CB 3.22Å; P621-S625 WeakPolarHBondContact O-CB 3.37Å; P621-S625 PolarHBondContact O-N 3.22Å; P621-I674 HydrophobicContact CB-CD1 3.98Å; P621-I674 HydrophobicContact CG-CD1 4.32Å; P621-A840 HydrophobicContact CG-CB 4.38Å; P621-C843 HydrophobicContact CB-CB 3.66Å; P621-C843 HydrophobicContact CG-CB 4.15Å; P621-I844 HydrophobicContact CG-CG1 4.19Å; P621-N847 PolarHBondContact O-ND2 3.21Å
622	I	95	Very high	93.6	Very high	37 Å²	37	61.2 Å²	61.2	19%	0.19	32%	0.321	C	S	.	.	H	α-helix	trans	-64.3	-50.5	178.3	-74.4	169.7	0	0	0	110.6	A618 I619 V620 F624 S625 S626 F671 I674	A618-I622 HydrophobicContact CB-CD1 4.4Å; A618-I622 WeakPolarHBondContact O-CB 3.17Å; A618-I622 WeakPolarHBondContact O-CD1 3.36Å; A618-I622 WeakPolarHBondContact O-CG1 3.4Å; A618-I622 PolarHBondContact O-N 3.46Å; A618-I622 VanDerWaalsContact O-N 3.12Å; I619-I622 PolarHBondContact O-N 2.94Å; V620-I622 PolarHBondContact O-N 3.3Å; I622-F624 VanDerWaalsContact C-N 3.35Å; I622-F624 PolarHBondContact O-N 3.19Å; I622-S625 PolarHBondContact O-N 3.37Å; I622-S626 PolarHBondContact O-N 2.82Å; I622-S626 PolarHBondContact O-OG 3.46Å; I622-S626 VanDerWaalsContact O-OG 3.12Å; I622-F671 HydrophobicContact CG1-CD1 4.47Å; I622-F671 HydrophobicContact CG1-CE1 4.38Å; I622-F671 HydrophobicContact CG2-CE1 3.77Å; I622-F671 HydrophobicContact CG2-CZ 4.26Å; I622-I674 HydrophobicContact CD1-CD1 4.2Å; I622-I674 HydrophobicContact CD1-CG2 4.21Å; I622-I674 HydrophobicContact CG1-CD1 3.81Å
623	T	95.2	Very high	94.2	Very high	83 Å²	83	59.7 Å²	59.7	51%	0.509	32%	0.32	S	S	.	.	H	α-helix	trans	-61.3	-43.4	-179.9	50.9	0	0	0	0	112	I619 V620 S625 S626 L627	I619-T623 HydrophobicContact CG2-CG2 4.17Å; I619-T623 WeakPolarHBondContact O-CB 3.3Å; I619-T623 VanDerWaalsContact O-CG2 3.29Å; I619-T623 WeakPolarHBondContact O-CG2 3.12Å; I619-T623 PolarHBondContact O-N 3.1Å; I619-T623 PolarHBondContact O-OG1 3.14Å; V620-T623 PolarHBondContact O-OG1 3.44Å; T623-S625 VanDerWaalsContact C-N 3.35Å; T623-S625 PolarHBondContact O-N 2.9Å; T623-S626 PolarHBondContact O-N 3.22Å; T623-L627 PolarHBondContact O-N 2.83Å; T623-L627 VanDerWaalsContact O-N 3.08Å
624	F	95.8	Very high	94.7	Very high	71 Å²	71	55.6 Å²	55.6	31%	0.311	31%	0.308	S	S	.	.	H	α-helix	trans	-63.3	-40.7	176	-169.5	-91.2	0	0	0	112	V620 I622 G628 Y667 N847 L848 S851	V620-F624 WeakPolarHBondContact O-CB 3.17Å; V620-F624 PolarHBondContact O-N 3.32Å; I622-F624 VanDerWaalsContact C-N 3.35Å; I622-F624 PolarHBondContact O-N 3.19Å; F624-G628 PolarHBondContact O-N 3.3Å; F624-Y667 HydrophobicContact CE1-CE1 4.41Å; F624-N847 HydrophobicContact CD1-CB 3.37Å; F624-N847 HydrophobicContact CE1-CB 3.42Å; F624-N847 VanDerWaalsContact CE1-CB 3.42Å; F624-L848 HydrophobicContact CZ-CD2 4.09Å; F624-S851 VanDerWaalsContact CE1-OG 3.27Å; F624-S851 WeakPolarHBondContact CE1-OG 3.32Å; F624-S851 VanDerWaalsContact CZ-OG 3.23Å; F624-S851 WeakPolarHBondContact CZ-OG 3.47Å
625	S	96.4	Very high	95.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-66.5	-46.9	176.2	177	0	0	0	0	112.6	P621 I622 T623 L627 G628 I629 Y667 F671	P621-S625 VanDerWaalsContact O-CB 3.22Å; P621-S625 WeakPolarHBondContact O-CB 3.37Å; P621-S625 PolarHBondContact O-N 3.22Å; I622-S625 PolarHBondContact O-N 3.37Å; T623-S625 VanDerWaalsContact C-N 3.35Å; T623-S625 PolarHBondContact O-N 2.9Å; S625-L627 VanDerWaalsContact C-N 3.31Å; S625-L627 PolarHBondContact O-N 2.95Å; S625-G628 CarbonylContact O-C 3.46Å; S625-G628 WeakPolarHBondContact O-CA 3.17Å; S625-G628 PolarHBondContact O-N 3.24Å; S625-I629 WeakPolarHBondContact O-CG1 3.37Å; S625-I629 PolarHBondContact O-N 3.48Å; S625-Y667 PolarHBondContact OG-O 2.89Å; S625-F671 VanDerWaalsContact OG-CE2 3.24Å; S625-F671 WeakPolarHBondContact OG-CE2 3.37Å
626	S	96.9	Very high	95.3	Very high	47 Å²	47	51.9 Å²	51.9	33%	0.329	28%	0.279	S	S	.	.	H	α-helix	trans	-55.6	-46.4	176.7	-65.8	0	0	0	0	111.7	I622 T623 G628 I629 L630	I622-S626 PolarHBondContact O-N 2.82Å; I622-S626 PolarHBondContact O-OG 3.46Å; I622-S626 VanDerWaalsContact O-OG 3.12Å; T623-S626 PolarHBondContact O-N 3.22Å; S626-G628 VanDerWaalsContact C-N 3.34Å; S626-G628 PolarHBondContact O-N 3.01Å; S626-I629 PolarHBondContact O-N 3.5Å; S626-L630 WeakPolarHBondContact O-CG 3.2Å; S626-L630 PolarHBondContact O-N 3.44Å
627	L	96.7	Very high	95.5	Very high	100 Å²	100	47.6 Å²	47.6	52%	0.524	27%	0.269	S	S	.	.	H	α-helix	trans	-62.4	-43.1	176.1	-177.4	61.8	0	0	0	111.2	T623 S625 I629 L630 I631	T623-L627 PolarHBondContact O-N 2.83Å; T623-L627 VanDerWaalsContact O-N 3.08Å; S625-L627 VanDerWaalsContact C-N 3.31Å; S625-L627 PolarHBondContact O-N 2.95Å; L627-I629 PolarHBondContact O-N 3.36Å; L627-L630 PolarHBondContact O-N 3.32Å; L627-I631 HydrophobicContact CD1-CD1 3.98Å; L627-I631 HydrophobicContact CD1-CG1 4.24Å; L627-I631 HydrophobicContact CG-CD1 3.82Å; L627-I631 HydrophobicContact CG-CG1 4.45Å; L627-I631 VanDerWaalsContact O-CG1 3.25Å; L627-I631 WeakPolarHBondContact O-CG1 3.32Å; L627-I631 PolarHBondContact O-N 3.31Å
628	G	97	Very high	95.6	Very high	4 Å²	4	44.8 Å²	44.8	4%	0.041	26%	0.257	C	S	.	.	H	α-helix	trans	-58.8	-43.6	175.6	0	0	0	0	0	113.7	F624 S625 S626 T632	F624-G628 PolarHBondContact O-N 3.3Å; S625-G628 CarbonylContact O-C 3.46Å; S625-G628 WeakPolarHBondContact O-CA 3.17Å; S625-G628 PolarHBondContact O-N 3.24Å; S626-G628 VanDerWaalsContact C-N 3.34Å; S626-G628 PolarHBondContact O-N 3.01Å; G628-T632 VanDerWaalsContact O-CB 3.28Å; G628-T632 WeakPolarHBondContact O-CB 3.38Å; G628-T632 PolarHBondContact O-N 2.89Å; G628-T632 PolarHBondContact O-OG1 3.4Å
629	I	97.9	Very high	95.6	Very high	52 Å²	52	44.8 Å²	44.8	27%	0.267	26%	0.257	S	S	.	.	H	α-helix	trans	-63.3	-47.5	176.7	-68.2	171.5	0	0	0	110.5	S625 S626 L627 T632 G633 L664 Y667 F671	S625-I629 WeakPolarHBondContact O-CG1 3.37Å; S625-I629 PolarHBondContact O-N 3.48Å; S626-I629 PolarHBondContact O-N 3.5Å; L627-I629 PolarHBondContact O-N 3.36Å; I629-T632 PolarHBondContact O-N 2.9Å; I629-G633 PolarHBondContact O-N 3.36Å; I629-L664 HydrophobicContact CG2-CD2 4.15Å; I629-Y667 HydrophobicContact CG1-CG 4.39Å; I629-F671 HydrophobicContact CD1-CD2 4.44Å; I629-F671 HydrophobicContact CD1-CE2 3.74Å
630	L	97.5	Very high	95.5	Very high	129 Å²	129	45.1 Å²	45.1	68%	0.675	26%	0.263	S	S	*	.	H	α-helix	trans	-60.9	-47.5	179.4	-71.3	173.9	0	0	0	111.8	S626 L627 T632 G633 G634	S626-L630 WeakPolarHBondContact O-CG 3.2Å; S626-L630 PolarHBondContact O-N 3.44Å; L627-L630 PolarHBondContact O-N 3.32Å; L630-T632 PolarHBondContact O-N 2.87Å; L630-G633 PolarHBondContact O-N 3.15Å; L630-G634 PolarHBondContact O-N 3.37Å
631	I	96.7	Very high	95.5	Very high	82 Å²	82	50 Å²	50	42%	0.421	28%	0.28	S	S	.	.	H	α-helix	trans	-62.9	-46	177.9	-62.8	169.3	0	0	0	109.6	L627 G633 G634 V635 L854	L627-I631 HydrophobicContact CD1-CD1 3.98Å; L627-I631 HydrophobicContact CD1-CG1 4.24Å; L627-I631 HydrophobicContact CG-CD1 3.82Å; L627-I631 HydrophobicContact CG-CG1 4.45Å; L627-I631 VanDerWaalsContact O-CG1 3.25Å; L627-I631 WeakPolarHBondContact O-CG1 3.32Å; L627-I631 PolarHBondContact O-N 3.31Å; I631-G633 VanDerWaalsContact C-N 3.34Å; I631-G633 PolarHBondContact O-N 3.15Å; I631-G634 CarbonylContact O-C 3.51Å; I631-G634 WeakPolarHBondContact O-CA 3.48Å; I631-G634 PolarHBondContact O-N 3.01Å; I631-G634 VanDerWaalsContact O-N 3.13Å; I631-V635 HydrophobicContact CG2-CG2 4.35Å; I631-V635 VanDerWaalsContact O-CG2 3.25Å; I631-V635 WeakPolarHBondContact O-CG2 3.35Å; I631-V635 PolarHBondContact O-N 2.66Å; I631-L854 HydrophobicContact CB-CD2 4.15Å; I631-L854 HydrophobicContact CG2-CD2 3.6Å; I631-L854 HydrophobicContact CG2-CG 4.48Å
632	T	97.2	Very high	95.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62	-41.6	180	-54.9	0	0	0	0	111.7	G628 I629 L630 V635 I636 L660 C663 L664 Y667	G628-T632 VanDerWaalsContact O-CB 3.28Å; G628-T632 WeakPolarHBondContact O-CB 3.38Å; G628-T632 PolarHBondContact O-N 2.89Å; G628-T632 PolarHBondContact O-OG1 3.4Å; I629-T632 PolarHBondContact O-N 2.9Å; L630-T632 PolarHBondContact O-N 2.87Å; T632-V635 PolarHBondContact O-N 2.9Å; T632-I636 HydrophobicContact CG2-CD1 4.23Å; T632-I636 WeakPolarHBondContact O-CG1 3.3Å; T632-I636 PolarHBondContact O-N 3.49Å; T632-L660 HydrophobicContact CG2-CB 4.44Å; T632-L660 HydrophobicContact CG2-CD2 4.07Å; T632-C663 HydrophobicContact CG2-CB 4.06Å; T632-L664 HydrophobicContact CG2-CD2 3.75Å; T632-L664 HydrophobicContact CG2-CG 3.7Å; T632-Y667 WeakPolarHBondContact OG1-CE2 3.2Å
633	G	96.1	Very high	94.8	Very high	34 Å²	34	53.9 Å²	53.9	35%	0.351	30%	0.297	S	S	.	.	H	α-helix	trans	-59.3	-44.2	172.5	0	0	0	0	0	112.3	I629 L630 I631 V635 I636 L637	I629-G633 PolarHBondContact O-N 3.36Å; L630-G633 PolarHBondContact O-N 3.15Å; I631-G633 VanDerWaalsContact C-N 3.34Å; I631-G633 PolarHBondContact O-N 3.15Å; G633-V635 VanDerWaalsContact C-N 3.34Å; G633-V635 PolarHBondContact O-N 3.2Å; G633-I636 PolarHBondContact O-N 2.87Å; G633-L637 WeakPolarHBondContact O-CB 3.41Å; G633-L637 PolarHBondContact O-N 3.47Å
634	G	95.7	Very high	94.2	Very high	34 Å²	34	54.9 Å²	54.9	35%	0.351	30%	0.299	S	S	.	.	H	α-helix	trans	-61	-38.7	173.2	0	0	0	0	0	113.4	L630 I631 L637 T638	L630-G634 PolarHBondContact O-N 3.37Å; I631-G634 CarbonylContact O-C 3.51Å; I631-G634 WeakPolarHBondContact O-CA 3.48Å; I631-G634 PolarHBondContact O-N 3.01Å; I631-G634 VanDerWaalsContact O-N 3.13Å; G634-L637 PolarHBondContact O-N 2.77Å; G634-T638 WeakPolarHBondContact O-CB 3.32Å; G634-T638 PolarHBondContact O-N 2.94Å; G634-T638 PolarHBondContact O-OG1 3Å
635	V	95.5	Very high	93.8	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.018	29%	0.291	C	S	.	.	H	α-helix	trans	-66.5	-44.3	174.7	-178.9	0	0	0	0	111.4	I631 T632 G633 L637 T638 W639 L660 L854 F858 L862	I631-V635 HydrophobicContact CG2-CG2 4.35Å; I631-V635 VanDerWaalsContact O-CG2 3.25Å; I631-V635 WeakPolarHBondContact O-CG2 3.35Å; I631-V635 PolarHBondContact O-N 2.66Å; T632-V635 PolarHBondContact O-N 2.9Å; G633-V635 VanDerWaalsContact C-N 3.34Å; G633-V635 PolarHBondContact O-N 3.2Å; V635-L637 VanDerWaalsContact C-N 3.33Å; V635-L637 PolarHBondContact O-N 2.94Å; V635-T638 PolarHBondContact O-N 3.36Å; V635-W639 HydrophobicContact CG1-CD2 4.45Å; V635-W639 HydrophobicContact CG1-CE3 3.61Å; V635-W639 HydrophobicContact CG1-CH2 4.45Å; V635-W639 HydrophobicContact CG1-CZ3 3.61Å; V635-W639 PolarHBondContact O-N 3.29Å; V635-L660 HydrophobicContact CB-CD2 4.15Å; V635-L660 HydrophobicContact CG1-CD1 4.13Å; V635-L660 HydrophobicContact CG1-CD2 3.72Å; V635-L854 HydrophobicContact CB-CD1 4.28Å; V635-L854 HydrophobicContact CG1-CD1 4.41Å; V635-L854 HydrophobicContact CG2-CD1 3.81Å; V635-F858 HydrophobicContact CG1-CB 3.95Å; V635-F858 HydrophobicContact CG1-CD1 3.78Å; V635-F858 HydrophobicContact CG1-CG 4.12Å; V635-L862 HydrophobicContact CG1-CD2 4.5Å; V635-L862 HydrophobicContact CG2-CD1 3.59Å
636	I	95.3	Very high	93.2	Very high	44 Å²	44	54.5 Å²	54.5	23%	0.226	30%	0.304	C	S	.	.	H	α-helix	trans	-58.8	-47.7	175.6	-69.5	166.1	0	0	0	109.9	T632 G633 T638 W639 V640 L660 L664	T632-I636 HydrophobicContact CG2-CD1 4.23Å; T632-I636 WeakPolarHBondContact O-CG1 3.3Å; T632-I636 PolarHBondContact O-N 3.49Å; G633-I636 PolarHBondContact O-N 2.87Å; I636-T638 VanDerWaalsContact C-N 3.32Å; I636-T638 PolarHBondContact O-N 3.47Å; I636-W639 WeakPolarHBondContact O-CA 3.42Å; I636-W639 WeakPolarHBondContact O-CB 3.38Å; I636-W639 PolarHBondContact O-N 3.47Å; I636-V640 WeakPolarHBondContact O-CG2 3.45Å; I636-V640 PolarHBondContact O-N 3.2Å; I636-L660 HydrophobicContact CD1-CB 4.09Å; I636-L660 HydrophobicContact CG1-CB 3.74Å; I636-L660 HydrophobicContact CG1-CD1 3.76Å; I636-L660 HydrophobicContact CG1-CG 4.21Å; I636-L664 HydrophobicContact CD1-CD1 3.5Å; I636-L664 HydrophobicContact CD1-CG 4.19Å
637	L	94.8	Very high	92.6	Very high	93 Å²	93	54.1 Å²	54.1	49%	0.487	30%	0.297	S	S	.	.	H	α-helix	trans	-60.5	-42.7	178.8	-170.6	62.9	0	0	0	111.6	G633 G634 V635 W639 V640 F641	G633-L637 WeakPolarHBondContact O-CB 3.41Å; G633-L637 PolarHBondContact O-N 3.47Å; G634-L637 PolarHBondContact O-N 2.77Å; V635-L637 VanDerWaalsContact C-N 3.33Å; V635-L637 PolarHBondContact O-N 2.94Å; L637-W639 VanDerWaalsContact C-N 3.33Å; L637-W639 PolarHBondContact O-N 3.5Å; L637-V640 PolarHBondContact O-N 3.17Å; L637-F641 HydrophobicContact CD1-CD2 3.87Å; L637-F641 HydrophobicContact CD1-CE2 3.34Å; L637-F641 HydrophobicContact CD1-CZ 4.11Å; L637-F641 HydrophobicContact CD2-CE2 4.01Å; L637-F641 HydrophobicContact CG-CD2 3.72Å; L637-F641 HydrophobicContact CG-CE2 3.46Å; L637-F641 VanDerWaalsContact CG-CE2 3.46Å; L637-F641 VanDerWaalsContact O-CD2 3.25Å; L637-F641 WeakPolarHBondContact O-CD2 3.42Å; L637-F641 PolarHBondContact O-N 3.2Å
638	T	93.1	Very high	92.1	Very high	10 Å²	10	49.3 Å²	49.3	6%	0.061	27%	0.272	C	S	.	.	H	α-helix	trans	-61.4	-41.3	173.5	-53	0	0	0	0	111.4	G634 V635 I636 V640 Y642 L862 I865 Y866	G634-T638 WeakPolarHBondContact O-CB 3.32Å; G634-T638 PolarHBondContact O-N 2.94Å; G634-T638 PolarHBondContact O-OG1 3Å; V635-T638 PolarHBondContact O-N 3.36Å; I636-T638 VanDerWaalsContact C-N 3.32Å; I636-T638 PolarHBondContact O-N 3.47Å; T638-V640 VanDerWaalsContact C-N 3.32Å; T638-V640 PolarHBondContact O-N 3.48Å; T638-Y642 HydrophobicContact CG2-CD2 3.74Å; T638-Y642 HydrophobicContact CG2-CE2 4.25Å; T638-Y642 WeakPolarHBondContact O-CB 3.28Å; T638-Y642 WeakPolarHBondContact O-CD2 2.95Å; T638-Y642 PolarHBondContact O-N 2.75Å; T638-L862 HydrophobicContact CG2-CD2 3.68Å; T638-I865 HydrophobicContact CG2-CD1 4.2Å; T638-I865 HydrophobicContact CG2-CG2 4.26Å; T638-Y866 HydrophobicContact CG2-CE2 3.72Å; T638-Y866 PolarHBondContact OG1-OH 2.85Å
639	W	93	Very high	91.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.7	-35	177.7	-110.3	-114	0	0	0	113.2	V635 I636 L637 S643 I648 Y657 L660 F858 K861 L862	V635-W639 HydrophobicContact CG1-CD2 4.45Å; V635-W639 HydrophobicContact CG1-CE3 3.61Å; V635-W639 HydrophobicContact CG1-CH2 4.45Å; V635-W639 HydrophobicContact CG1-CZ3 3.61Å; V635-W639 PolarHBondContact O-N 3.29Å; I636-W639 WeakPolarHBondContact O-CA 3.42Å; I636-W639 WeakPolarHBondContact O-CB 3.38Å; I636-W639 PolarHBondContact O-N 3.47Å; L637-W639 VanDerWaalsContact C-N 3.33Å; L637-W639 PolarHBondContact O-N 3.5Å; W639-S643 WeakPolarHBondContact O-CA 3.46Å; W639-S643 WeakPolarHBondContact O-CB 3.32Å; W639-S643 PolarHBondContact O-N 2.62Å; W639-S643 VanDerWaalsContact O-N 3.14Å; W639-I648 HydrophobicContact CD2-CD1 4.17Å; W639-I648 HydrophobicContact CE3-CD1 4.41Å; W639-I648 HydrophobicContact CG-CD1 4.34Å; W639-I648 HydrophobicContact CG-CG2 4.26Å; W639-Y657 HydrophobicContact CB-CE1 3.95Å; W639-L660 HydrophobicContact CG-CD1 4.48Å; W639-F858 HydrophobicContact CD2-CD1 4.48Å; W639-F858 HydrophobicContact CE3-CD1 4.43Å; W639-F858 HydrophobicContact CH2-CB 4.09Å; W639-F858 AromaticContact CH2-CD1 3.43Å; W639-F858 HydrophobicContact CH2-CD1 3.43Å; W639-F858 VanDerWaalsContact CH2-CD1 3.43Å; W639-F858 HydrophobicContact CH2-CE1 4.3Å; W639-F858 HydrophobicContact CH2-CG 4.2Å; W639-F858 AromaticContact CZ2-CD1 3.48Å; W639-F858 HydrophobicContact CZ2-CD1 3.48Å; W639-F858 VanDerWaalsContact CZ2-CD1 3.48Å; W639-F858 AromaticContact CZ2-CE1 3.91Å; W639-F858 HydrophobicContact CZ2-CE1 3.91Å; W639-F858 HydrophobicContact CZ3-CB 4.41Å; W639-F858 AromaticContact CZ3-CD1 3.94Å; W639-F858 HydrophobicContact CZ3-CD1 3.94Å; W639-K861 HydrophobicContact CH2-CB 3.78Å; W639-K861 HydrophobicContact CH2-CD 3.95Å; W639-K861 HydrophobicContact CH2-CG 4.49Å; W639-K861 HydrophobicContact CZ2-CB 4.49Å; W639-K861 HydrophobicContact CZ2-CD 3.91Å; W639-L862 HydrophobicContact CE3-CD2 4.42Å; W639-L862 HydrophobicContact CZ3-CD2 3.83Å; W639-L862 HydrophobicContact CZ3-CG 4.24Å
640	V	92.2	Very high	90.6	Very high	74 Å²	74	55.8 Å²	55.8	45%	0.448	31%	0.307	S	S	.	.	H	α-helix	trans	-70	-53.1	175.6	172.6	0	0	0	0	110.4	I636 L637 T638 Y642 S643 Y657	I636-V640 WeakPolarHBondContact O-CG2 3.45Å; I636-V640 PolarHBondContact O-N 3.2Å; L637-V640 PolarHBondContact O-N 3.17Å; T638-V640 VanDerWaalsContact C-N 3.32Å; T638-V640 PolarHBondContact O-N 3.48Å; V640-Y642 PolarHBondContact O-N 2.76Å; V640-S643 WeakPolarHBondContact O-CB 3.4Å; V640-S643 PolarHBondContact O-N 3.17Å; V640-S643 PolarHBondContact O-OG 3.11Å; V640-Y657 HydrophobicContact CG2-CE1 4.29Å
641	F	91.9	Very high	89.9	Confident	154 Å²	154	50 Å²	50	68%	0.675	28%	0.276	S	S	*	.	H	α-helix	trans	-65.1	-39.3	-177.7	-77.9	-58.2	0	0	0	113.6	L637	L637-F641 HydrophobicContact CD1-CD2 3.87Å; L637-F641 HydrophobicContact CD1-CE2 3.34Å; L637-F641 HydrophobicContact CD1-CZ 4.11Å; L637-F641 HydrophobicContact CD2-CE2 4.01Å; L637-F641 HydrophobicContact CG-CD2 3.72Å; L637-F641 HydrophobicContact CG-CE2 3.46Å; L637-F641 VanDerWaalsContact CG-CE2 3.46Å; L637-F641 VanDerWaalsContact O-CD2 3.25Å; L637-F641 WeakPolarHBondContact O-CD2 3.42Å; L637-F641 PolarHBondContact O-N 3.2Å
642	Y	90	Very high	89.3	Confident	91 Å²	91	46.6 Å²	46.6	36%	0.357	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	18.4	179.8	-66.3	-85.2	0	0	0	112.6	T638 V640 D644 T645 I648 I865 Y866	T638-Y642 HydrophobicContact CG2-CD2 3.74Å; T638-Y642 HydrophobicContact CG2-CE2 4.25Å; T638-Y642 WeakPolarHBondContact O-CB 3.28Å; T638-Y642 WeakPolarHBondContact O-CD2 2.95Å; T638-Y642 PolarHBondContact O-N 2.75Å; V640-Y642 PolarHBondContact O-N 2.76Å; Y642-D644 PolarHBondContact O-N 3.47Å; Y642-T645 HydrophobicContact CD1-CG2 3.88Å; Y642-T645 HydrophobicContact CG-CG2 4.39Å; Y642-T645 WeakPolarHBondContact O-CB 3.35Å; Y642-T645 WeakPolarHBondContact O-CG2 3.46Å; Y642-T645 PolarHBondContact O-N 3.15Å; Y642-T645 PolarHBondContact O-OG1 2.98Å; Y642-I648 WeakPolarHBondContact O-CD1 3.45Å; Y642-I865 HydrophobicContact CD1-CG2 3.98Å; Y642-I865 HydrophobicContact CD2-CG2 3.82Å; Y642-I865 HydrophobicContact CE1-CG2 4.08Å; Y642-I865 HydrophobicContact CE2-CG2 3.93Å; Y642-I865 HydrophobicContact CG-CG2 3.84Å; Y642-Y866 HydrophobicContact CE2-CE1 4.37Å
643	S	86.1	Confident	88.9	Confident	26 Å²	26	50.3 Å²	50.3	18%	0.182	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-19.8	-174.5	66.1	0	0	0	0	114.4	W639 V640 R649 R653	W639-S643 WeakPolarHBondContact O-CA 3.46Å; W639-S643 WeakPolarHBondContact O-CB 3.32Å; W639-S643 PolarHBondContact O-N 2.62Å; W639-S643 VanDerWaalsContact O-N 3.14Å; V640-S643 WeakPolarHBondContact O-CB 3.4Å; V640-S643 PolarHBondContact O-N 3.17Å; V640-S643 PolarHBondContact O-OG 3.11Å; S643-R649 WeakPolarHBondContact O-CG 3.46Å; S643-R653 WeakPolarHBondContact O-CD 3.48Å; S643-R653 PolarHBondContact O-NH1 3.36Å
644	D	83.3	Confident	88.7	Confident	104 Å²	104	52.3 Å²	52.3	56%	0.556	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-13.7	177.7	-70.5	-32.6	0	0	0	114.5	Y642 R649 R653	Y642-D644 PolarHBondContact O-N 3.47Å; D644-R649 WeakPolarHBondContact O-CD 3.42Å; D644-R649 PolarHBondContact O-NE 3.44Å; D644-R649 IonicContact OD1-CZ 3.21Å; D644-R649 IonicContact OD1-NE 3.52Å; D644-R649 IonicContact OD1-NH2 2.66Å; D644-R649 PolarHBondContact OD1-NH2 2.75Å; D644-R653 IonicContact OD1-NH1 2.77Å
645	T	86.1	Confident	88.5	Confident	25 Å²	25	50.7 Å²	50.7	15%	0.153	26%	0.26	C	S	.	.	S	Bend	trans	-65.7	143.9	-179.8	63.7	0	0	0	0	111.7	Y642 L647 I648 R649 N872	Y642-T645 HydrophobicContact CD1-CG2 3.88Å; Y642-T645 HydrophobicContact CG-CG2 4.39Å; Y642-T645 WeakPolarHBondContact O-CB 3.35Å; Y642-T645 WeakPolarHBondContact O-CG2 3.46Å; Y642-T645 PolarHBondContact O-N 3.15Å; Y642-T645 PolarHBondContact O-OG1 2.98Å; T645-L647 PolarHBondContact O-N 3.05Å; T645-I648 PolarHBondContact O-N 3.14Å; T645-I648 WeakPolarHBondContact OG1-CG1 3.27Å; T645-R649 WeakPolarHBondContact O-CG 3.28Å; T645-R649 PolarHBondContact O-N 3.42Å; T645-N872 WeakPolarHBondContact CB-ND2 3.35Å; T645-N872 WeakPolarHBondContact CG2-ND2 3.49Å
646	P	83.8	Confident	88.5	Confident	39 Å²	39	50.6 Å²	50.6	25%	0.253	26%	0.259	S	S	.	.	H	α-helix	trans	-63.2	-31.4	-175.6	25.5	-34.4	0	0	0	112.5	A650 N872 R874	P646-A650 WeakPolarHBondContact O-CB 3.39Å; P646-A650 PolarHBondContact O-N 3.1Å; P646-N872 WeakPolarHBondContact CG-O 3.41Å; P646-R874 HydrophobicContact CB-CG 3.76Å
647	L	83.9	Confident	88.5	Confident	38 Å²	38	51.8 Å²	51.8	20%	0.199	26%	0.261	C	S	.	.	H	α-helix	trans	-62.1	-48.3	175.4	-179.4	70.5	0	0	0	112.3	T645 A650 T651 K861 I864 I865 N872	T645-L647 PolarHBondContact O-N 3.05Å; L647-A650 PolarHBondContact O-N 3.46Å; L647-T651 PolarHBondContact O-N 3.24Å; L647-T651 PolarHBondContact O-OG1 3.31Å; L647-K861 HydrophobicContact CD2-CB 4.14Å; L647-I864 HydrophobicContact CD2-CB 3.92Å; L647-I864 HydrophobicContact CD2-CG2 3.71Å; L647-I865 HydrophobicContact CD2-CD1 4.45Å; L647-I865 HydrophobicContact CD2-CG1 4.01Å; L647-N872 WeakPolarHBondContact CB-OD1 3.28Å; L647-N872 PolarHBondContact N-OD1 2.97Å
648	I	86.7	Confident	88.5	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-71.7	-40.6	-178.4	-63.7	-169.3	0	0	0	110.7	W639 Y642 T645 A650 T651 R653 I865	W639-I648 HydrophobicContact CD2-CD1 4.17Å; W639-I648 HydrophobicContact CE3-CD1 4.41Å; W639-I648 HydrophobicContact CG-CD1 4.34Å; W639-I648 HydrophobicContact CG-CG2 4.26Å; Y642-I648 WeakPolarHBondContact O-CD1 3.45Å; T645-I648 PolarHBondContact O-N 3.14Å; T645-I648 WeakPolarHBondContact OG1-CG1 3.27Å; I648-A650 VanDerWaalsContact C-N 3.34Å; I648-A650 PolarHBondContact O-N 3.45Å; I648-T651 WeakPolarHBondContact O-CB 3.38Å; I648-T651 PolarHBondContact O-N 2.82Å; I648-R653 HydrophobicContact CG2-CG 3.95Å; I648-I865 HydrophobicContact CD1-CD1 3.71Å; I648-I865 HydrophobicContact CG1-CD1 4.04Å
649	R	84.4	Confident	88.6	Confident	125 Å²	125	48.3 Å²	48.3	47%	0.472	24%	0.244	S	C	.	.	H	α-helix	trans	-61.5	-40.2	174.1	-71.7	-178.4	171.5	-177.6	0.1	112.4	S643 D644 T645 T651 G652	S643-R649 WeakPolarHBondContact O-CG 3.46Å; D644-R649 WeakPolarHBondContact O-CD 3.42Å; D644-R649 PolarHBondContact O-NE 3.44Å; D644-R649 IonicContact OD1-CZ 3.21Å; D644-R649 IonicContact OD1-NE 3.52Å; D644-R649 IonicContact OD1-NH2 2.66Å; D644-R649 PolarHBondContact OD1-NH2 2.75Å; T645-R649 WeakPolarHBondContact O-CG 3.28Å; T645-R649 PolarHBondContact O-N 3.42Å; R649-T651 VanDerWaalsContact C-N 3.33Å; R649-T651 PolarHBondContact O-N 2.89Å; R649-G652 PolarHBondContact O-N 3.4Å
650	A	80	Confident	88.8	Confident	67 Å²	67	48.4 Å²	48.4	55%	0.554	24%	0.244	S	C	*	.	H	α-helix	trans	-65.7	-35	178.2	0	0	0	0	0	112.9	P646 L647 I648 G652	P646-A650 WeakPolarHBondContact O-CB 3.39Å; P646-A650 PolarHBondContact O-N 3.1Å; L647-A650 PolarHBondContact O-N 3.46Å; I648-A650 VanDerWaalsContact C-N 3.34Å; I648-A650 PolarHBondContact O-N 3.45Å; A650-G652 PolarHBondContact O-N 3.16Å
651	T	82.9	Confident	89.1	Confident	6 Å²	6	46.5 Å²	46.5	4%	0.037	24%	0.236	C	C	.	.	H	α-helix	trans	-62.7	-24.1	179.1	-68.7	0	0	0	0	113.6	L647 I648 R649 A656 K703 K861	L647-T651 PolarHBondContact O-N 3.24Å; L647-T651 PolarHBondContact O-OG1 3.31Å; I648-T651 WeakPolarHBondContact O-CB 3.38Å; I648-T651 PolarHBondContact O-N 2.82Å; R649-T651 VanDerWaalsContact C-N 3.33Å; R649-T651 PolarHBondContact O-N 2.89Å; T651-A656 HydrophobicContact CG2-CB 4.36Å; T651-K703 WeakPolarHBondContact O-CE 3.34Å; T651-K703 PolarHBondContact O-NZ 2.67Å; T651-K861 HydrophobicContact CG2-CD 4.46Å; T651-K861 WeakPolarHBondContact OG1-CE 3.39Å; T651-K861 PolarHBondContact OG1-NZ 2.84Å
652	G	84.1	Confident	89.3	Confident	12 Å²	12	39.2 Å²	39.2	12%	0.124	20%	0.204	C	C	.	.			trans	82.4	89.3	-171.5	0	0	0	0	0	111.6	R649 A650 E654 L655 A656	R649-G652 PolarHBondContact O-N 3.4Å; A650-G652 PolarHBondContact O-N 3.16Å; G652-E654 PolarHBondContact O-N 2.88Å; G652-L655 PolarHBondContact O-N 3.46Å; G652-A656 PolarHBondContact O-N 3.25Å
653	R	88.8	Confident	89.7	Confident	78 Å²	78	34.9 Å²	34.9	29%	0.294	19%	0.187	S	C	.	.	H	α-helix	trans	-55.2	-47.4	-173.6	-59.8	-175	-60.4	-169	7	113.1	S643 D644 I648 L655 A656 Y657	S643-R653 WeakPolarHBondContact O-CD 3.48Å; S643-R653 PolarHBondContact O-NH1 3.36Å; D644-R653 IonicContact OD1-NH1 2.77Å; I648-R653 HydrophobicContact CG2-CG 3.95Å; R653-L655 PolarHBondContact O-N 3.46Å; R653-A656 WeakPolarHBondContact O-CB 3.4Å; R653-A656 PolarHBondContact O-N 3.02Å; R653-A656 VanDerWaalsContact O-N 3.12Å; R653-Y657 HydrophobicContact CB-CE2 4.12Å; R653-Y657 WeakPolarHBondContact O-CD2 3.49Å; R653-Y657 PolarHBondContact O-N 3.14Å
654	E	90.9	Very high	90.2	Very high	75 Å²	75	35.9 Å²	35.9	35%	0.35	19%	0.19	S	C	.	.	H	α-helix	trans	-59.5	-48	-174.8	-50.1	-46.6	142.8	0	0	112.9	G652 A656 Y657 V658 P726 L730	G652-E654 PolarHBondContact O-N 2.88Å; E654-A656 VanDerWaalsContact C-N 3.33Å; E654-A656 PolarHBondContact O-N 2.82Å; E654-Y657 PolarHBondContact O-N 3.36Å; E654-V658 WeakPolarHBondContact O-CG2 3.47Å; E654-V658 PolarHBondContact O-N 2.89Å; E654-P726 HydrophobicContact CG-CB 4.03Å; E654-L730 HydrophobicContact CB-CD1 3.85Å; E654-L730 HydrophobicContact CB-CD2 3.92Å; E654-L730 HydrophobicContact CB-CG 3.85Å; E654-L730 HydrophobicContact CG-CD1 4.18Å
655	L	92.7	Very high	90.8	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-68.5	-34.2	177.3	-67.3	179.5	0	0	0	111.9	G652 R653 Y657 V658 Q659 T702 K703 Q729	G652-L655 PolarHBondContact O-N 3.46Å; R653-L655 PolarHBondContact O-N 3.46Å; L655-Y657 VanDerWaalsContact C-N 3.33Å; L655-V658 PolarHBondContact O-N 2.78Å; L655-Q659 WeakPolarHBondContact O-CG 2.98Å; L655-Q659 PolarHBondContact O-N 3.29Å; L655-T702 HydrophobicContact CD1-CG2 4.22Å; L655-T702 HydrophobicContact CD2-CG2 4.34Å; L655-K703 HydrophobicContact CD1-CB 4Å; L655-Q729 HydrophobicContact CD1-CB 4.1Å; L655-Q729 HydrophobicContact CD1-CG 4.45Å; L655-Q729 HydrophobicContact CD2-CB 4.19Å; L655-Q729 HydrophobicContact CG-CB 4.25Å
656	A	93.8	Very high	91.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.2	-38.4	176.6	0	0	0	0	0	111.8	T651 G652 R653 E654 Q659 L660 F858	T651-A656 HydrophobicContact CG2-CB 4.36Å; G652-A656 PolarHBondContact O-N 3.25Å; R653-A656 WeakPolarHBondContact O-CB 3.4Å; R653-A656 PolarHBondContact O-N 3.02Å; R653-A656 VanDerWaalsContact O-N 3.12Å; E654-A656 VanDerWaalsContact C-N 3.33Å; E654-A656 PolarHBondContact O-N 2.82Å; A656-Q659 WeakPolarHBondContact O-CB 2.92Å; A656-Q659 PolarHBondContact O-N 3.14Å; A656-L660 VanDerWaalsContact O-CG 3.31Å; A656-L660 WeakPolarHBondContact O-CG 3.15Å; A656-L660 PolarHBondContact O-N 3.08Å; A656-F858 HydrophobicContact CB-CE1 4.16Å
657	Y	95.4	Very high	92	Very high	70 Å²	70	29.5 Å²	29.5	28%	0.275	15%	0.154	S	C	.	.	H	α-helix	trans	-64.9	-39.9	173.3	-68.5	-51.7	0	0	0	112.3	W639 V640 R653 E654 L655 Q659 L660 A661	W639-Y657 HydrophobicContact CB-CE1 3.95Å; V640-Y657 HydrophobicContact CG2-CE1 4.29Å; R653-Y657 HydrophobicContact CB-CE2 4.12Å; R653-Y657 WeakPolarHBondContact O-CD2 3.49Å; R653-Y657 PolarHBondContact O-N 3.14Å; E654-Y657 PolarHBondContact O-N 3.36Å; L655-Y657 VanDerWaalsContact C-N 3.33Å; Y657-Q659 VanDerWaalsContact C-N 3.34Å; Y657-Q659 PolarHBondContact O-N 2.59Å; Y657-L660 PolarHBondContact O-N 2.86Å; Y657-A661 VanDerWaalsContact O-CB 3.28Å; Y657-A661 WeakPolarHBondContact O-CB 3.18Å; Y657-A661 PolarHBondContact O-N 2.88Å
658	V	96.1	Very high	92.5	Very high	29 Å²	29	29.9 Å²	29.9	18%	0.176	16%	0.16	C	C	.	.	H	α-helix	trans	-62.1	-41.3	173.6	179.1	0	0	0	0	111.4	E654 L655 G662 M695 L730 I737	E654-V658 WeakPolarHBondContact O-CG2 3.47Å; E654-V658 PolarHBondContact O-N 2.89Å; L655-V658 PolarHBondContact O-N 2.78Å; V658-G662 PolarHBondContact O-N 2.82Å; V658-M695 HydrophobicContact CG1-CB 4.44Å; V658-L730 HydrophobicContact CG2-CD2 3.79Å; V658-I737 HydrophobicContact CG1-CD1 3.82Å
659	Q	95.6	Very high	92.9	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-62.2	-46.7	175	-72.7	-178.7	-60.8	0	0	112.5	L655 A656 Y657 G662 C663 S699 F858	L655-Q659 WeakPolarHBondContact O-CG 2.98Å; L655-Q659 PolarHBondContact O-N 3.29Å; A656-Q659 WeakPolarHBondContact O-CB 2.92Å; A656-Q659 PolarHBondContact O-N 3.14Å; Y657-Q659 VanDerWaalsContact C-N 3.34Å; Y657-Q659 PolarHBondContact O-N 2.59Å; Q659-G662 PolarHBondContact O-N 2.84Å; Q659-C663 PolarHBondContact O-N 2.83Å; Q659-C663 PolarHBondContact O-SG 2.93Å; Q659-S699 WeakPolarHBondContact CG-OG 3.37Å; Q659-F858 HydrophobicContact CB-CE2 4.36Å; Q659-F858 HydrophobicContact CB-CZ 3.91Å
660	L	97.2	Very high	93.3	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-67.6	-39.3	-179.8	-70.8	167.4	0	0	0	111.7	T632 V635 I636 W639 A656 Y657 G662 C663 L664 L854 F858	T632-L660 HydrophobicContact CG2-CB 4.44Å; T632-L660 HydrophobicContact CG2-CD2 4.07Å; V635-L660 HydrophobicContact CB-CD2 4.15Å; V635-L660 HydrophobicContact CG1-CD1 4.13Å; V635-L660 HydrophobicContact CG1-CD2 3.72Å; I636-L660 HydrophobicContact CD1-CB 4.09Å; I636-L660 HydrophobicContact CG1-CB 3.74Å; I636-L660 HydrophobicContact CG1-CD1 3.76Å; I636-L660 HydrophobicContact CG1-CG 4.21Å; W639-L660 HydrophobicContact CG-CD1 4.48Å; A656-L660 VanDerWaalsContact O-CG 3.31Å; A656-L660 WeakPolarHBondContact O-CG 3.15Å; A656-L660 PolarHBondContact O-N 3.08Å; Y657-L660 PolarHBondContact O-N 2.86Å; L660-G662 VanDerWaalsContact C-N 3.33Å; L660-C663 WeakPolarHBondContact O-CB 3.45Å; L660-C663 PolarHBondContact O-N 3.18Å; L660-L664 PolarHBondContact O-N 3.29Å; L660-L854 HydrophobicContact CD2-CD1 3.93Å; L660-F858 HydrophobicContact CD1-CD1 4.25Å; L660-F858 HydrophobicContact CD1-CE1 3.76Å; L660-F858 HydrophobicContact CD1-CZ 4.39Å; L660-F858 HydrophobicContact CD2-CD1 3.89Å; L660-F858 HydrophobicContact CD2-CD2 4.33Å; L660-F858 HydrophobicContact CD2-CE1 3.71Å; L660-F858 HydrophobicContact CD2-CE2 4.15Å; L660-F858 HydrophobicContact CD2-CG 4.22Å; L660-F858 HydrophobicContact CD2-CZ 3.85Å; L660-F858 HydrophobicContact CG-CD1 4.23Å; L660-F858 HydrophobicContact CG-CE1 3.6Å; L660-F858 HydrophobicContact CG-CE2 4.49Å; L660-F858 HydrophobicContact CG-CZ 3.75Å
661	A	96.7	Very high	94	Very high	35 Å²	35	24.6 Å²	24.6	29%	0.289	13%	0.128	S	C	.	.	H	α-helix	trans	-62.9	-40.4	172.4	0	0	0	0	0	111.3	Y657 C663 L664 V665 M695	Y657-A661 VanDerWaalsContact O-CB 3.28Å; Y657-A661 WeakPolarHBondContact O-CB 3.18Å; Y657-A661 PolarHBondContact O-N 2.88Å; A661-C663 VanDerWaalsContact C-N 3.34Å; A661-C663 PolarHBondContact O-N 3.02Å; A661-L664 PolarHBondContact O-N 3.14Å; A661-V665 WeakPolarHBondContact O-CG2 3.43Å; A661-V665 PolarHBondContact O-N 2.84Å; A661-M695 HydrophobicContact CB-CE 3.46Å; A661-M695 VanDerWaalsContact CB-CE 3.46Å
662	G	97.2	Very high	94.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.1	-41.3	171.5	0	0	0	0	0	112.8	V658 Q659 L660 L664 V665 C666	V658-G662 PolarHBondContact O-N 2.82Å; Q659-G662 PolarHBondContact O-N 2.84Å; L660-G662 VanDerWaalsContact C-N 3.33Å; G662-L664 PolarHBondContact O-N 3.23Å; G662-V665 PolarHBondContact O-N 3.24Å; G662-C666 PolarHBondContact O-N 3.4Å; G662-C666 PolarHBondContact O-SG 3.16Å
663	C	97.1	Very high	94.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.7	-43.5	174.4	-63.6	0	0	0	0	111.8	T632 Q659 L660 A661 V665 C666 Y667 A850	T632-C663 HydrophobicContact CG2-CB 4.06Å; Q659-C663 PolarHBondContact O-N 2.83Å; Q659-C663 PolarHBondContact O-SG 2.93Å; L660-C663 WeakPolarHBondContact O-CB 3.45Å; L660-C663 PolarHBondContact O-N 3.18Å; A661-C663 VanDerWaalsContact C-N 3.34Å; A661-C663 PolarHBondContact O-N 3.02Å; C663-V665 PolarHBondContact O-N 2.91Å; C663-C666 PolarHBondContact O-N 3.12Å; C663-Y667 HydrophobicContact CB-CE2 4.35Å; C663-Y667 WeakPolarHBondContact O-CD2 3.4Å; C663-Y667 PolarHBondContact O-N 2.92Å; C663-A850 HydrophobicContact CB-CB 4.38Å
664	L	97.3	Very high	95.1	Very high	48 Å²	48	22.6 Å²	22.6	25%	0.251	12%	0.12	S	C	.	.	H	α-helix	trans	-61.8	-40.8	175.4	-74.5	178.1	0	0	0	112.7	I629 T632 I636 L660 A661 G662 S668	I629-L664 HydrophobicContact CG2-CD2 4.15Å; T632-L664 HydrophobicContact CG2-CD2 3.75Å; T632-L664 HydrophobicContact CG2-CG 3.7Å; I636-L664 HydrophobicContact CD1-CD1 3.5Å; I636-L664 HydrophobicContact CD1-CG 4.19Å; L660-L664 PolarHBondContact O-N 3.29Å; A661-L664 PolarHBondContact O-N 3.14Å; G662-L664 PolarHBondContact O-N 3.23Å; L664-S668 VanDerWaalsContact O-CB 3.28Å; L664-S668 WeakPolarHBondContact O-CB 3.1Å; L664-S668 PolarHBondContact O-N 2.56Å; L664-S668 PolarHBondContact O-OG 3.22Å
665	V	96.7	Very high	95.1	Very high	31 Å²	31	20.6 Å²	20.6	19%	0.188	12%	0.116	C	C	.	.	H	α-helix	trans	-63.2	-46.6	175.4	172.2	0	0	0	0	110.2	A661 G662 C663 Y667 S668 C669 L688 M695	A661-V665 WeakPolarHBondContact O-CG2 3.43Å; A661-V665 PolarHBondContact O-N 2.84Å; G662-V665 PolarHBondContact O-N 3.24Å; C663-V665 PolarHBondContact O-N 2.91Å; V665-Y667 PolarHBondContact O-N 2.85Å; V665-S668 PolarHBondContact O-N 3.23Å; V665-C669 PolarHBondContact O-N 2.85Å; V665-C669 PolarHBondContact O-SG 3.02Å; V665-L688 HydrophobicContact CG1-CB 4.32Å; V665-L688 HydrophobicContact CG1-CG 4.15Å; V665-M695 HydrophobicContact CG2-SD 4.2Å
666	C	96.5	Very high	95.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60	-46.3	177.4	-76	0	0	0	0	112.7	G662 C663 C669 G692 M696 I846 A850	G662-C666 PolarHBondContact O-N 3.4Å; G662-C666 PolarHBondContact O-SG 3.16Å; C663-C666 PolarHBondContact O-N 3.12Å; C666-C669 VanDerWaalsContact O-CB 3.25Å; C666-C669 WeakPolarHBondContact O-CB 3.35Å; C666-C669 PolarHBondContact O-N 2.79Å; C666-G692 VanDerWaalsContact SG-C 3.55Å; C666-M696 HydrophobicContact CB-SD 4.34Å; C666-I846 HydrophobicContact CB-CG2 3.71Å; C666-I846 WeakPolarHBondContact O-CG2 3.47Å; C666-A850 HydrophobicContact CB-CB 3.91Å
667	Y	97.5	Very high	94.9	Very high	3 Å²	3	28.9 Å²	28.9	1%	0.012	15%	0.15	C	C	.	.	H	α-helix	trans	-64	-43.9	176	-68.4	-59.3	0	0	0	111.4	F624 S625 I629 T632 C663 V665 C669 A670 N847 A850 S851	F624-Y667 HydrophobicContact CE1-CE1 4.41Å; S625-Y667 PolarHBondContact OG-O 2.89Å; I629-Y667 HydrophobicContact CG1-CG 4.39Å; T632-Y667 WeakPolarHBondContact OG1-CE2 3.2Å; C663-Y667 HydrophobicContact CB-CE2 4.35Å; C663-Y667 WeakPolarHBondContact O-CD2 3.4Å; C663-Y667 PolarHBondContact O-N 2.92Å; V665-Y667 PolarHBondContact O-N 2.85Å; Y667-C669 PolarHBondContact O-N 2.98Å; Y667-C669 VanDerWaalsContact O-N 3.14Å; Y667-A670 PolarHBondContact O-N 3.13Å; Y667-N847 WeakPolarHBondContact CA-OD1 3.35Å; Y667-N847 HydrophobicContact CD1-CB 4.07Å; Y667-N847 HydrophobicContact CE1-CB 4.1Å; Y667-A850 HydrophobicContact CD1-CB 4.43Å; Y667-A850 HydrophobicContact CD2-CB 4.31Å; Y667-A850 HydrophobicContact CE1-CB 3.98Å; Y667-A850 HydrophobicContact CE2-CB 3.83Å; Y667-S851 WeakPolarHBondContact OH-CA 3.49Å; Y667-S851 PolarHBondContact OH-N 3.48Å; Y667-S851 PolarHBondContact OH-OG 2.81Å
668	S	95.4	Very high	94.8	Very high	45 Å²	45	27.7 Å²	27.7	32%	0.315	15%	0.152	S	C	.	.	H	α-helix	trans	-58.6	-27.5	177	-58.1	0	0	0	0	113.5	L664 V665 A670 F671	L664-S668 VanDerWaalsContact O-CB 3.28Å; L664-S668 WeakPolarHBondContact O-CB 3.1Å; L664-S668 PolarHBondContact O-N 2.56Å; L664-S668 PolarHBondContact O-OG 3.22Å; V665-S668 PolarHBondContact O-N 3.23Å; S668-A670 PolarHBondContact O-N 3.38Å; S668-F671 PolarHBondContact O-N 3.38Å
669	C	94.5	Very high	94.5	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.02	17%	0.168	C	C	.	.	H	α-helix	trans	-56	-35.5	177.7	-67.3	0	0	0	0	113	V665 C666 Y667 F671 I672 L673 I846	V665-C669 PolarHBondContact O-N 2.85Å; V665-C669 PolarHBondContact O-SG 3.02Å; C666-C669 VanDerWaalsContact O-CB 3.25Å; C666-C669 WeakPolarHBondContact O-CB 3.35Å; C666-C669 PolarHBondContact O-N 2.79Å; Y667-C669 PolarHBondContact O-N 2.98Å; Y667-C669 VanDerWaalsContact O-N 3.14Å; C669-F671 VanDerWaalsContact C-N 3.3Å; C669-F671 PolarHBondContact O-N 2.9Å; C669-I672 PolarHBondContact O-N 3.04Å; C669-I672 VanDerWaalsContact O-N 3.16Å; C669-L673 HydrophobicContact CB-CD1 4.46Å; C669-L673 WeakPolarHBondContact O-CB 3.3Å; C669-L673 WeakPolarHBondContact O-CG 3.4Å; C669-L673 PolarHBondContact O-N 3.36Å; C669-I846 HydrophobicContact CB-CD1 4.49Å; C669-I846 HydrophobicContact CB-CG2 4.41Å
670	A	93.5	Very high	94.3	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-59.9	-40.5	-176.8	0	0	0	0	0	112.1	Y667 S668 L673 I674 C843	Y667-A670 PolarHBondContact O-N 3.13Å; S668-A670 PolarHBondContact O-N 3.38Å; A670-L673 PolarHBondContact O-N 2.93Å; A670-I674 WeakPolarHBondContact O-CG1 3.21Å; A670-I674 PolarHBondContact O-N 3.14Å; A670-I674 VanDerWaalsContact O-N 3.11Å; A670-C843 HydrophobicContact CB-CB 4.28Å
671	F	94.9	Very high	94.1	Very high	77 Å²	77	38.9 Å²	38.9	34%	0.338	20%	0.204	S	C	.	.	H	α-helix	trans	-65.1	-41.1	176.9	-64.8	-83.3	0	0	0	111.9	I622 S625 I629 S668 C669 A675	I622-F671 HydrophobicContact CG1-CD1 4.47Å; I622-F671 HydrophobicContact CG1-CE1 4.38Å; I622-F671 HydrophobicContact CG2-CE1 3.77Å; I622-F671 HydrophobicContact CG2-CZ 4.26Å; S625-F671 VanDerWaalsContact OG-CE2 3.24Å; S625-F671 WeakPolarHBondContact OG-CE2 3.37Å; I629-F671 HydrophobicContact CD1-CD2 4.44Å; I629-F671 HydrophobicContact CD1-CE2 3.74Å; S668-F671 PolarHBondContact O-N 3.38Å; C669-F671 VanDerWaalsContact C-N 3.3Å; C669-F671 PolarHBondContact O-N 2.9Å; F671-A675 VanDerWaalsContact O-CB 3.25Å; F671-A675 WeakPolarHBondContact O-CB 3.37Å; F671-A675 PolarHBondContact O-N 3.48Å
672	I	94.2	Very high	93.9	Very high	36 Å²	36	37.2 Å²	37.2	19%	0.185	19%	0.19	C	C	.	.	H	α-helix	trans	-71.6	-34.7	-179.8	-53.3	-49.9	0	0	0	111.2	C669 L684 Q685 L688	C669-I672 PolarHBondContact O-N 3.04Å; C669-I672 VanDerWaalsContact O-N 3.16Å; I672-L684 HydrophobicContact CB-CD2 4.41Å; I672-L684 HydrophobicContact CD1-CD2 3.56Å; I672-L684 HydrophobicContact CG1-CD2 3.67Å; I672-L684 HydrophobicContact CG1-CG 4.35Å; I672-L684 HydrophobicContact CG2-CB 3.82Å; I672-L684 HydrophobicContact CG2-CD2 3.8Å; I672-L684 HydrophobicContact CG2-CG 3.97Å; I672-Q685 HydrophobicContact CG2-CG 3.73Å; I672-Q685 PolarHBondContact O-NE2 2.9Å; I672-L688 HydrophobicContact CG1-CD2 4.08Å
673	L	92	Very high	93.6	Very high	11 Å²	11	38.5 Å²	38.5	6%	0.058	20%	0.198	C	C	.	.	H	α-helix	trans	-68.9	-35.9	177.7	-81.4	167.9	0	0	0	113.4	C669 A670 Q685 I689 I839 L842 C843 I846	C669-L673 HydrophobicContact CB-CD1 4.46Å; C669-L673 WeakPolarHBondContact O-CB 3.3Å; C669-L673 WeakPolarHBondContact O-CG 3.4Å; C669-L673 PolarHBondContact O-N 3.36Å; A670-L673 PolarHBondContact O-N 2.93Å; L673-Q685 HydrophobicContact CD2-CB 4.37Å; L673-Q685 HydrophobicContact CD2-CG 3.88Å; L673-Q685 HydrophobicContact CG-CG 4.27Å; L673-I689 HydrophobicContact CD1-CD1 4.21Å; L673-I689 HydrophobicContact CD2-CD1 4.11Å; L673-I689 HydrophobicContact CG-CD1 4.48Å; L673-I839 HydrophobicContact CB-CG2 4.18Å; L673-L842 HydrophobicContact CD1-CD2 4.01Å; L673-L842 HydrophobicContact CD1-CG 4.03Å; L673-L842 HydrophobicContact CD2-CD2 3.85Å; L673-C843 VanDerWaalsContact CB-SG 3.52Å; L673-I846 HydrophobicContact CD1-CD1 3.88Å
674	I	92.6	Very high	93.4	Very high	8 Å²	8	40.6 Å²	40.6	4%	0.041	21%	0.209	C	C	.	.	H	α-helix	trans	-86.8	-26.1	179.9	-67.4	164.5	0	0	0	111.8	I611 A618 P621 I622 A670	I611-I674 HydrophobicContact CG2-CG2 4.21Å; A618-I674 HydrophobicContact CB-CD1 4.48Å; A618-I674 HydrophobicContact CB-CG2 3.79Å; P621-I674 HydrophobicContact CB-CD1 3.98Å; P621-I674 HydrophobicContact CG-CD1 4.32Å; I622-I674 HydrophobicContact CD1-CD1 4.2Å; I622-I674 HydrophobicContact CD1-CG2 4.21Å; I622-I674 HydrophobicContact CG1-CD1 3.81Å; A670-I674 WeakPolarHBondContact O-CG1 3.21Å; A670-I674 PolarHBondContact O-N 3.14Å; A670-I674 VanDerWaalsContact O-N 3.11Å
675	A	91	Very high	93.1	Very high	33 Å²	33	39.3 Å²	39.3	27%	0.273	20%	0.202	S	C	.	.	S	Bend	trans	-56.2	151	177.3	0	0	0	0	0	112	F671 T681	F671-A675 VanDerWaalsContact O-CB 3.25Å; F671-A675 WeakPolarHBondContact O-CB 3.37Å; F671-A675 PolarHBondContact O-N 3.48Å; A675-T681 HydrophobicContact CB-CG2 4.1Å
676	R	91.1	Very high	92.7	Very high	154 Å²	154	38.2 Å²	38.2	58%	0.581	20%	0.195	S	C	*	.	P	Polyproline II helix	trans	-48.9	125.9	177.6	-175.7	177.2	175	-177.8	0.6	110.3	Y610 S678 T681 L767	Y610-R676 HydrophobicContact CD2-CB 4.41Å; Y610-R676 HydrophobicContact CD2-CG 4.5Å; Y610-R676 HydrophobicContact CE2-CB 4.31Å; Y610-R676 HydrophobicContact CE2-CG 4.47Å; R676-S678 PolarHBondContact O-N 3.47Å; R676-T681 PolarHBondContact O-OG1 3.39Å; R676-L767 HydrophobicContact CG-CD2 4.48Å
677	P	90.8	Very high	92.5	Very high	21 Å²	21	40.5 Å²	40.5	14%	0.136	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-60.7	128.4	177.7	-24.5	34.6	0	0	0	110.8	T755 L767	P677-T755 HydrophobicContact CB-CG2 4.19Å; P677-L767 HydrophobicContact CB-CD2 4.35Å; P677-L767 HydrophobicContact CB-CG 4.16Å; P677-L767 HydrophobicContact CG-CG 4.4Å
678	S	92.3	Very high	92.3	Very high	44 Å²	44	41.7 Å²	41.7	31%	0.308	21%	0.213	S	C	.	.			trans	-148.7	161.4	177.9	64.8	0	0	0	0	106.9	R676 F680 T681 C682	R676-S678 PolarHBondContact O-N 3.47Å; S678-F680 PolarHBondContact O-N 3.43Å; S678-F680 VanDerWaalsContact O-N 3.11Å; S678-T681 PolarHBondContact N-OG1 2.64Å; S678-T681 PolarHBondContact O-N 2.98Å; S678-T681 VanDerWaalsContact O-N 3.14Å; S678-T681 PolarHBondContact O-OG1 3.27Å; S678-T681 PolarHBondContact OG-N 3.16Å; S678-T681 PolarHBondContact OG-OG1 3.4Å; S678-C682 VanDerWaalsContact O-CB 3.28Å; S678-C682 WeakPolarHBondContact O-CB 3.3Å; S678-C682 PolarHBondContact O-N 2.8Å; S678-C682 PolarHBondContact O-SG 3.07Å
679	I	90.7	Very high	92	Very high	101 Å²	101	39.7 Å²	39.7	52%	0.518	20%	0.199	S	C	.	.	H	α-helix	trans	-51.5	-40.6	176.1	-63	166.6	0	0	0	110.5	S683	I679-S683 VanDerWaalsContact O-CB 3.32Å; I679-S683 WeakPolarHBondContact O-CB 3.37Å; I679-S683 PolarHBondContact O-N 3.45Å; I679-S683 PolarHBondContact O-OG 3.22Å
680	F	92.1	Very high	91.9	Very high	151 Å²	151	39.6 Å²	39.6	66%	0.662	20%	0.198	S	C	*	.	H	α-helix	trans	-65.8	-53.5	177.2	-178.7	-102.5	0	0	0	113	S678 C682 S683 L684	S678-F680 PolarHBondContact O-N 3.43Å; S678-F680 VanDerWaalsContact O-N 3.11Å; F680-C682 PolarHBondContact O-N 2.83Å; F680-S683 WeakPolarHBondContact O-CB 3.41Å; F680-S683 PolarHBondContact O-N 2.8Å; F680-L684 HydrophobicContact CE1-CD2 4.41Å; F680-L684 WeakPolarHBondContact O-CB 3.45Å; F680-L684 PolarHBondContact O-N 2.85Å
681	T	92.2	Very high	92	Very high	15 Å²	15	41.1 Å²	41.1	9%	0.092	21%	0.206	C	C	.	.	H	α-helix	trans	-65.1	-40.5	-178.9	50.9	0	0	0	0	111.5	A675 R676 S678 S683 L684 Q685	A675-T681 HydrophobicContact CB-CG2 4.1Å; R676-T681 PolarHBondContact O-OG1 3.39Å; S678-T681 PolarHBondContact N-OG1 2.64Å; S678-T681 PolarHBondContact O-N 2.98Å; S678-T681 VanDerWaalsContact O-N 3.14Å; S678-T681 PolarHBondContact O-OG1 3.27Å; S678-T681 PolarHBondContact OG-N 3.16Å; S678-T681 PolarHBondContact OG-OG1 3.4Å; T681-S683 PolarHBondContact O-N 3.4Å; T681-L684 PolarHBondContact O-N 3.12Å; T681-Q685 VanDerWaalsContact O-CG 3.28Å; T681-Q685 WeakPolarHBondContact O-CG 3.32Å; T681-Q685 PolarHBondContact O-N 2.78Å
682	C	92.1	Very high	92	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.9	-39.1	176.2	-64.4	0	0	0	0	112.7	S678 F680 L684 R686 C769	S678-C682 VanDerWaalsContact O-CB 3.28Å; S678-C682 WeakPolarHBondContact O-CB 3.3Å; S678-C682 PolarHBondContact O-N 2.8Å; S678-C682 PolarHBondContact O-SG 3.07Å; F680-C682 PolarHBondContact O-N 2.83Å; C682-L684 VanDerWaalsContact C-N 3.35Å; C682-R686 WeakPolarHBondContact O-CG 3.47Å; C682-R686 PolarHBondContact O-N 3.36Å; C682-C769 WeakPolarHBondContact CA-SG 3.21Å; C682-C769 HydrophobicContact CB-CB 3.76Å; C682-C769 WeakPolarHBondContact CB-SG 3.22Å; C682-C769 WeakPolarHBondContact SG-CA 3.4Å; C682-C769 WeakPolarHBondContact SG-CB 3.46Å; C682-C769 CovalentContact SG-SG 2.03Å; C682-C769 PolarHBondContact SG-SG 3.14Å
683	S	91.2	Very high	92.1	Very high	26 Å²	26	35.8 Å²	35.8	18%	0.182	18%	0.181	C	C	.	.	H	α-helix	trans	-60.9	-46.9	172.4	-60.3	0	0	0	0	110.9	I679 F680 T681 R686 I687 P753	I679-S683 VanDerWaalsContact O-CB 3.32Å; I679-S683 WeakPolarHBondContact O-CB 3.37Å; I679-S683 PolarHBondContact O-N 3.45Å; I679-S683 PolarHBondContact O-OG 3.22Å; F680-S683 WeakPolarHBondContact O-CB 3.41Å; F680-S683 PolarHBondContact O-N 2.8Å; T681-S683 PolarHBondContact O-N 3.4Å; S683-R686 PolarHBondContact O-N 3.37Å; S683-I687 WeakPolarHBondContact O-CG1 3.33Å; S683-I687 PolarHBondContact O-N 3.45Å; S683-P753 WeakPolarHBondContact OG-CB 3.28Å; S683-P753 WeakPolarHBondContact OG-CG 3.49Å
684	L	92.7	Very high	92.3	Very high	44 Å²	44	35.2 Å²	35.2	23%	0.23	18%	0.178	C	C	.	.	H	α-helix	trans	-66.4	-40.4	-177.4	-163.6	68.1	0	0	0	111.8	I672 F680 T681 C682 R686 I687 L688	I672-L684 HydrophobicContact CB-CD2 4.41Å; I672-L684 HydrophobicContact CD1-CD2 3.56Å; I672-L684 HydrophobicContact CG1-CD2 3.67Å; I672-L684 HydrophobicContact CG1-CG 4.35Å; I672-L684 HydrophobicContact CG2-CB 3.82Å; I672-L684 HydrophobicContact CG2-CD2 3.8Å; I672-L684 HydrophobicContact CG2-CG 3.97Å; F680-L684 HydrophobicContact CE1-CD2 4.41Å; F680-L684 WeakPolarHBondContact O-CB 3.45Å; F680-L684 PolarHBondContact O-N 2.85Å; T681-L684 PolarHBondContact O-N 3.12Å; C682-L684 VanDerWaalsContact C-N 3.35Å; L684-R686 VanDerWaalsContact C-N 3.33Å; L684-R686 PolarHBondContact O-N 2.84Å; L684-I687 PolarHBondContact O-N 2.68Å; L684-L688 HydrophobicContact CD1-CD1 3.29Å; L684-L688 HydrophobicContact CD1-CD2 4.25Å; L684-L688 HydrophobicContact CD1-CG 4.38Å; L684-L688 HydrophobicContact CD2-CD2 4.27Å; L684-L688 HydrophobicContact CG-CD1 3.65Å; L684-L688 HydrophobicContact CG-CD2 3.86Å; L684-L688 HydrophobicContact CG-CG 4.33Å; L684-L688 WeakPolarHBondContact O-CB 3.29Å; L684-L688 WeakPolarHBondContact O-CD1 3.44Å; L684-L688 PolarHBondContact O-N 3.14Å
685	Q	90.3	Very high	92.5	Very high	21 Å²	21	36.3 Å²	36.3	10%	0.098	18%	0.184	C	C	.	.	H	α-helix	trans	-56.6	-45.5	174.5	-70.6	173.8	12.1	0	0	111.9	I672 L673 T681 I687 I689 C769	I672-Q685 HydrophobicContact CG2-CG 3.73Å; I672-Q685 PolarHBondContact O-NE2 2.9Å; L673-Q685 HydrophobicContact CD2-CB 4.37Å; L673-Q685 HydrophobicContact CD2-CG 3.88Å; L673-Q685 HydrophobicContact CG-CG 4.27Å; T681-Q685 VanDerWaalsContact O-CG 3.28Å; T681-Q685 WeakPolarHBondContact O-CG 3.32Å; T681-Q685 PolarHBondContact O-N 2.78Å; Q685-I687 VanDerWaalsContact C-N 3.29Å; Q685-I687 PolarHBondContact O-N 3.34Å; Q685-I689 WeakPolarHBondContact O-CD1 3.41Å; Q685-I689 WeakPolarHBondContact O-CG1 3.44Å; Q685-I689 PolarHBondContact O-N 3.31Å; Q685-C769 PolarHBondContact OE1-SG 3.21Å; Q685-C769 VanDerWaalsContact OE1-SG 3.4Å
686	R	89	Confident	92.8	Very high	9 Å²	9	34.8 Å²	34.8	3%	0.034	17%	0.171	C	C	.	.	H	α-helix	trans	-65	-31.1	-178.4	-72.7	178.1	175.4	-168.2	13	113	C682 S683 L684 W747 F748 D751 S752 A770 M771	C682-R686 WeakPolarHBondContact O-CG 3.47Å; C682-R686 PolarHBondContact O-N 3.36Å; S683-R686 PolarHBondContact O-N 3.37Å; L684-R686 VanDerWaalsContact C-N 3.33Å; L684-R686 PolarHBondContact O-N 2.84Å; R686-W747 HydrophobicContact CB-CE3 4.45Å; R686-W747 HydrophobicContact CB-CZ3 4.02Å; R686-W747 HydrophobicContact CG-CH2 4.03Å; R686-W747 HydrophobicContact CG-CZ3 4.03Å; R686-F748 HydrophobicContact CB-CE1 3.79Å; R686-F748 HydrophobicContact CB-CZ 4.29Å; R686-F748 HydrophobicContact CG-CE1 4.45Å; R686-D751 PolarHBondContact NH1-O 2.97Å; R686-S752 PolarHBondContact NH2-O 3.47Å; R686-A770 PolarHBondContact NH2-O 2.85Å; R686-M771 HydrophobicContact CG-SD 4.47Å
687	I	92	Very high	93.1	Very high	48 Å²	48	27.4 Å²	27.4	25%	0.246	14%	0.143	C	C	.	.	H	α-helix	trans	-83.6	-52.5	178	-59.4	168.2	0	0	0	111.2	S683 L684 Q685 I689 G690 L691 L741 F748	S683-I687 WeakPolarHBondContact O-CG1 3.33Å; S683-I687 PolarHBondContact O-N 3.45Å; L684-I687 PolarHBondContact O-N 2.68Å; Q685-I687 VanDerWaalsContact C-N 3.29Å; Q685-I687 PolarHBondContact O-N 3.34Å; I687-I689 PolarHBondContact O-N 3.34Å; I687-G690 PolarHBondContact O-N 3.11Å; I687-L691 HydrophobicContact CG2-CD2 4.42Å; I687-L691 VanDerWaalsContact O-CB 3.22Å; I687-L691 WeakPolarHBondContact O-CB 3.21Å; I687-L691 PolarHBondContact O-N 3.26Å; I687-L741 HydrophobicContact CG2-CD2 4.38Å; I687-F748 HydrophobicContact CD1-CE2 3.7Å; I687-F748 HydrophobicContact CD1-CZ 3.8Å; I687-F748 HydrophobicContact CG1-CE2 3.77Å; I687-F748 HydrophobicContact CG1-CZ 3.56Å
688	L	92.9	Very high	93.4	Very high	27 Å²	27	26.4 Å²	26.4	14%	0.141	14%	0.137	C	C	.	.	H	α-helix	trans	-65.8	-38.4	-165.4	-95.3	57.6	0	0	0	113	V665 I672 L684 L691 G692	V665-L688 HydrophobicContact CG1-CB 4.32Å; V665-L688 HydrophobicContact CG1-CG 4.15Å; I672-L688 HydrophobicContact CG1-CD2 4.08Å; L684-L688 HydrophobicContact CD1-CD1 3.29Å; L684-L688 HydrophobicContact CD1-CD2 4.25Å; L684-L688 HydrophobicContact CD1-CG 4.38Å; L684-L688 HydrophobicContact CD2-CD2 4.27Å; L684-L688 HydrophobicContact CG-CD1 3.65Å; L684-L688 HydrophobicContact CG-CD2 3.86Å; L684-L688 HydrophobicContact CG-CG 4.33Å; L684-L688 WeakPolarHBondContact O-CB 3.29Å; L684-L688 WeakPolarHBondContact O-CD1 3.44Å; L684-L688 PolarHBondContact O-N 3.14Å; L688-L691 PolarHBondContact O-N 3.46Å; L688-G692 PolarHBondContact O-N 3.03Å
689	I	90.7	Very high	93.6	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-62	-50.6	-178.6	-62	170.1	0	0	0	110.1	L673 Q685 I687 F693 F776 L780 L842 I846	L673-I689 HydrophobicContact CD1-CD1 4.21Å; L673-I689 HydrophobicContact CD2-CD1 4.11Å; L673-I689 HydrophobicContact CG-CD1 4.48Å; Q685-I689 WeakPolarHBondContact O-CD1 3.41Å; Q685-I689 WeakPolarHBondContact O-CG1 3.44Å; Q685-I689 PolarHBondContact O-N 3.31Å; I687-I689 PolarHBondContact O-N 3.34Å; I689-F693 HydrophobicContact CG2-CD2 4.19Å; I689-F693 HydrophobicContact CG2-CE2 3.93Å; I689-F693 WeakPolarHBondContact O-CD2 3.34Å; I689-F693 PolarHBondContact O-N 2.67Å; I689-F776 HydrophobicContact CD1-CE2 3.87Å; I689-F776 HydrophobicContact CD1-CZ 4.2Å; I689-L780 HydrophobicContact CG2-CD2 3.75Å; I689-L842 HydrophobicContact CD1-CD2 4.15Å; I689-I846 HydrophobicContact CD1-CD1 4.29Å; I689-I846 HydrophobicContact CG1-CD1 3.95Å; I689-I846 HydrophobicContact CG2-CD1 4Å
690	G	92.1	Very high	93.8	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-66.8	-43.3	178	0	0	0	0	0	112.3	I687 A694 N783	I687-G690 PolarHBondContact O-N 3.11Å; G690-A694 VanDerWaalsContact O-CB 3.32Å; G690-A694 WeakPolarHBondContact O-CB 3.36Å; G690-A694 PolarHBondContact O-N 3.5Å; G690-N783 PolarHBondContact O-OD1 3Å
691	L	95.2	Very high	94	Very high	32 Å²	32	13.1 Å²	13.1	17%	0.168	7%	0.07	C	C	.	.	H	α-helix	trans	-61.9	-46	-179.3	179	60.4	0	0	0	112.4	I687 L688 F693 A694 M695 I737 L741	I687-L691 HydrophobicContact CG2-CD2 4.42Å; I687-L691 VanDerWaalsContact O-CB 3.22Å; I687-L691 WeakPolarHBondContact O-CB 3.21Å; I687-L691 PolarHBondContact O-N 3.26Å; L688-L691 PolarHBondContact O-N 3.46Å; L691-F693 PolarHBondContact O-N 2.8Å; L691-A694 PolarHBondContact O-N 3.39Å; L691-M695 HydrophobicContact CD1-CG 4.07Å; L691-M695 HydrophobicContact CD1-SD 4.1Å; L691-M695 HydrophobicContact CG-CG 4.43Å; L691-M695 HydrophobicContact CG-SD 4.02Å; L691-M695 WeakPolarHBondContact O-CB 3.41Å; L691-M695 VanDerWaalsContact O-CG 3.26Å; L691-M695 WeakPolarHBondContact O-CG 3.38Å; L691-M695 PolarHBondContact O-N 3.26Å; L691-I737 HydrophobicContact CD1-CG2 3.75Å; L691-L741 HydrophobicContact CD1-CD1 4.46Å; L691-L741 HydrophobicContact CD1-CD2 4Å; L691-L741 HydrophobicContact CD1-CG 4.21Å; L691-L741 HydrophobicContact CD2-CD2 4.47Å
692	G	95.7	Very high	94.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-59.7	-47.6	-179.8	0	0	0	0	0	112.2	C666 L688 M695 M696	C666-G692 VanDerWaalsContact SG-C 3.55Å; L688-G692 PolarHBondContact O-N 3.03Å; G692-M695 PolarHBondContact O-N 2.94Å; G692-M696 WeakPolarHBondContact O-CB 3.37Å; G692-M696 WeakPolarHBondContact O-CG 3.36Å; G692-M696 PolarHBondContact O-N 2.97Å
693	F	95.6	Very high	94	Very high	1 Å²	1	12.9 Å²	12.9	0%	0.004	7%	0.068	C	C	.	.	H	α-helix	trans	-65.4	-42.2	176.1	-71.6	-49.1	0	0	0	112.8	I689 L691 M695 M696 Y697 N783 W821 I846	I689-F693 HydrophobicContact CG2-CD2 4.19Å; I689-F693 HydrophobicContact CG2-CE2 3.93Å; I689-F693 WeakPolarHBondContact O-CD2 3.34Å; I689-F693 PolarHBondContact O-N 2.67Å; L691-F693 PolarHBondContact O-N 2.8Å; F693-M695 VanDerWaalsContact C-N 3.35Å; F693-M695 PolarHBondContact O-N 3.34Å; F693-M696 PolarHBondContact O-N 3.23Å; F693-Y697 HydrophobicContact CB-CD2 4.2Å; F693-Y697 HydrophobicContact CB-CE2 4.29Å; F693-Y697 HydrophobicContact CD1-CD2 4.4Å; F693-Y697 AromaticContact CD1-CE2 3.67Å; F693-Y697 HydrophobicContact CD1-CE2 3.67Å; F693-Y697 HydrophobicContact CE1-CE2 4.46Å; F693-Y697 HydrophobicContact CG-CE2 4.36Å; F693-Y697 WeakPolarHBondContact O-CD2 3.35Å; F693-Y697 PolarHBondContact O-N 3.49Å; F693-N783 HydrophobicContact CB-CB 4.15Å; F693-N783 VanDerWaalsContact CB-OD1 3.29Å; F693-N783 WeakPolarHBondContact CB-OD1 3.32Å; F693-W821 HydrophobicContact CD1-CZ2 4.24Å; F693-W821 HydrophobicContact CD2-CH2 4.12Å; F693-W821 AromaticContact CD2-CZ2 3.73Å; F693-W821 HydrophobicContact CD2-CZ2 3.73Å; F693-W821 AromaticContact CE1-CZ2 3.83Å; F693-W821 HydrophobicContact CE1-CZ2 3.83Å; F693-W821 AromaticContact CE2-CH2 3.64Å; F693-W821 HydrophobicContact CE2-CH2 3.64Å; F693-W821 AromaticContact CE2-CZ2 3.29Å; F693-W821 HydrophobicContact CE2-CZ2 3.29Å; F693-W821 HydrophobicContact CG-CZ2 4.18Å; F693-W821 HydrophobicContact CZ-CH2 4.06Å; F693-W821 AromaticContact CZ-CZ2 3.32Å; F693-W821 HydrophobicContact CZ-CZ2 3.32Å; F693-I846 HydrophobicContact CE2-CG1 3.95Å; F693-I846 HydrophobicContact CZ-CB 4.19Å; F693-I846 HydrophobicContact CZ-CG1 3.75Å; F693-I846 HydrophobicContact CZ-CG2 4.24Å
694	A	96.9	Very high	94	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-60.3	-44.8	176	0	0	0	0	0	111.2	G690 L691 M696 A698 Q740 N783 L786	G690-A694 VanDerWaalsContact O-CB 3.32Å; G690-A694 WeakPolarHBondContact O-CB 3.36Å; G690-A694 PolarHBondContact O-N 3.5Å; L691-A694 PolarHBondContact O-N 3.39Å; A694-M696 PolarHBondContact O-N 3.06Å; A694-A698 WeakPolarHBondContact O-CA 3.15Å; A694-A698 WeakPolarHBondContact O-CB 3.36Å; A694-A698 PolarHBondContact O-N 3.31Å; A694-Q740 HydrophobicContact CB-CB 3.7Å; A694-Q740 HydrophobicContact CB-CG 3.87Å; A694-N783 PolarHBondContact N-OD1 3.36Å; A694-L786 HydrophobicContact CB-CD1 4.37Å
695	M	96.9	Very high	93.9	Very high	31 Å²	31	11 Å²	11	15%	0.153	6%	0.056	C	C	.	.	H	α-helix	trans	-60.1	-44.3	176.3	-72	177.2	74	0	0	112.2	V658 A661 V665 L691 G692 F693 S699 I737	V658-M695 HydrophobicContact CG1-CB 4.44Å; A661-M695 HydrophobicContact CB-CE 3.46Å; A661-M695 VanDerWaalsContact CB-CE 3.46Å; V665-M695 HydrophobicContact CG2-SD 4.2Å; L691-M695 HydrophobicContact CD1-CG 4.07Å; L691-M695 HydrophobicContact CD1-SD 4.1Å; L691-M695 HydrophobicContact CG-CG 4.43Å; L691-M695 HydrophobicContact CG-SD 4.02Å; L691-M695 WeakPolarHBondContact O-CB 3.41Å; L691-M695 VanDerWaalsContact O-CG 3.26Å; L691-M695 WeakPolarHBondContact O-CG 3.38Å; L691-M695 PolarHBondContact O-N 3.26Å; G692-M695 PolarHBondContact O-N 2.94Å; F693-M695 VanDerWaalsContact C-N 3.35Å; F693-M695 PolarHBondContact O-N 3.34Å; M695-S699 WeakPolarHBondContact O-CB 3.44Å; M695-S699 PolarHBondContact O-OG 2.98Å; M695-I737 HydrophobicContact CB-CD1 4.42Å; M695-I737 HydrophobicContact CG-CD1 4.01Å; M695-I737 HydrophobicContact CG-CG1 4.31Å; M695-I737 HydrophobicContact CG-CG2 4.26Å
696	M	97	Very high	93.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64.5	-50.3	178.9	-78.2	178.9	60.3	0	0	113	C666 G692 F693 A694 S699 L700 A850 M853	C666-M696 HydrophobicContact CB-SD 4.34Å; G692-M696 WeakPolarHBondContact O-CB 3.37Å; G692-M696 WeakPolarHBondContact O-CG 3.36Å; G692-M696 PolarHBondContact O-N 2.97Å; F693-M696 PolarHBondContact O-N 3.23Å; A694-M696 PolarHBondContact O-N 3.06Å; M696-S699 PolarHBondContact O-OG 3.15Å; M696-L700 WeakPolarHBondContact O-CB 3.3Å; M696-L700 PolarHBondContact O-N 2.8Å; M696-A850 HydrophobicContact CE-CB 4.49Å; M696-A850 HydrophobicContact SD-CB 4.34Å; M696-M853 HydrophobicContact CB-CE 3.88Å; M696-M853 HydrophobicContact CE-CB 3.61Å; M696-M853 HydrophobicContact CE-CE 3.65Å; M696-M853 HydrophobicContact CE-CG 4.01Å; M696-M853 HydrophobicContact CG-CE 4.46Å
697	Y	97	Very high	93.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-91.8	-28.1	-170.4	-61.8	-61.7	0	0	0	113.8	F693 L700 L701 I787 M814 T817 M853	F693-Y697 HydrophobicContact CB-CD2 4.2Å; F693-Y697 HydrophobicContact CB-CE2 4.29Å; F693-Y697 HydrophobicContact CD1-CD2 4.4Å; F693-Y697 AromaticContact CD1-CE2 3.67Å; F693-Y697 HydrophobicContact CD1-CE2 3.67Å; F693-Y697 HydrophobicContact CE1-CE2 4.46Å; F693-Y697 HydrophobicContact CG-CE2 4.36Å; F693-Y697 WeakPolarHBondContact O-CD2 3.35Å; F693-Y697 PolarHBondContact O-N 3.49Å; Y697-L700 PolarHBondContact O-N 2.88Å; Y697-L701 WeakPolarHBondContact O-CB 3.31Å; Y697-L701 PolarHBondContact O-N 2.87Å; Y697-I787 HydrophobicContact CD1-CG1 4.18Å; Y697-I787 HydrophobicContact CD2-CD1 3.99Å; Y697-I787 HydrophobicContact CD2-CG1 3.52Å; Y697-I787 HydrophobicContact CE1-CG1 4.26Å; Y697-I787 HydrophobicContact CE2-CD1 3.65Å; Y697-I787 HydrophobicContact CE2-CG1 3.59Å; Y697-I787 HydrophobicContact CG-CG1 3.85Å; Y697-M814 HydrophobicContact CD1-CE 4.04Å; Y697-M814 HydrophobicContact CD1-SD 3.95Å; Y697-M814 HydrophobicContact CE1-CE 4.16Å; Y697-M814 HydrophobicContact CE1-SD 4.02Å; Y697-T817 HydrophobicContact CE1-CG2 3.92Å; Y697-T817 HydrophobicContact CE2-CG2 4.38Å; Y697-T817 WeakPolarHBondContact OH-CG2 3.38Å; Y697-T817 PolarHBondContact OH-OG1 3.49Å; Y697-T817 VanDerWaalsContact OH-OG1 3.06Å; Y697-M853 HydrophobicContact CD1-CE 4.04Å; Y697-M853 HydrophobicContact CE1-CE 3.81Å
698	A	97.3	Very high	93.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-65.4	-41.1	172.6	0	0	0	0	0	111.6	A694 T702 L736 I737	A694-A698 WeakPolarHBondContact O-CA 3.15Å; A694-A698 WeakPolarHBondContact O-CB 3.36Å; A694-A698 PolarHBondContact O-N 3.31Å; A698-T702 WeakPolarHBondContact O-CB 3.44Å; A698-T702 PolarHBondContact O-N 3.02Å; A698-T702 PolarHBondContact O-OG1 2.83Å; A698-L736 HydrophobicContact CB-CB 3.61Å; A698-L736 HydrophobicContact CB-CD1 4.03Å; A698-L736 HydrophobicContact CB-CG 4.5Å; A698-I737 HydrophobicContact CB-CG1 3.95Å
699	S	95.8	Very high	93.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-69.2	-41.2	176.6	58	0	0	0	0	111.3	Q659 M695 M696 T702 K703 S733	Q659-S699 WeakPolarHBondContact CG-OG 3.37Å; M695-S699 WeakPolarHBondContact O-CB 3.44Å; M695-S699 PolarHBondContact O-OG 2.98Å; M696-S699 PolarHBondContact O-OG 3.15Å; S699-T702 PolarHBondContact O-N 3.41Å; S699-K703 VanDerWaalsContact O-CB 3.3Å; S699-K703 WeakPolarHBondContact O-CB 3.35Å; S699-K703 PolarHBondContact O-N 3.42Å; S699-S733 WeakPolarHBondContact CA-OG 3.47Å; S699-S733 PolarHBondContact N-OG 3.26Å
700	L	95.2	Very high	92.9	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65.3	-41.3	174.2	-172.8	55.7	0	0	0	112.1	M696 Y697 K703 T704 I810 T813 M814 M853 L857	M696-L700 WeakPolarHBondContact O-CB 3.3Å; M696-L700 PolarHBondContact O-N 2.8Å; Y697-L700 PolarHBondContact O-N 2.88Å; L700-K703 WeakPolarHBondContact O-CB 3.33Å; L700-K703 PolarHBondContact O-N 2.87Å; L700-T704 HydrophobicContact CD1-CG2 4.41Å; L700-T704 WeakPolarHBondContact O-CG2 3.33Å; L700-T704 PolarHBondContact O-N 3.48Å; L700-T704 PolarHBondContact O-OG1 3.08Å; L700-I810 HydrophobicContact CD1-CD1 4.4Å; L700-I810 HydrophobicContact CD1-CG1 4.07Å; L700-I810 HydrophobicContact CD1-CG2 3.87Å; L700-I810 HydrophobicContact CD2-CG2 4.44Å; L700-I810 HydrophobicContact CG-CG2 4.35Å; L700-T813 HydrophobicContact CD2-CG2 4.25Å; L700-M814 HydrophobicContact CD2-CG 4.17Å; L700-M814 HydrophobicContact CD2-SD 3.39Å; L700-M814 WeakPolarHBondContact CD2-SD 3.06Å; L700-M814 HydrophobicContact CG-SD 4.44Å; L700-M853 HydrophobicContact CD2-CE 3.86Å; L700-M853 HydrophobicContact CD2-SD 4Å; L700-L857 HydrophobicContact CD1-CD1 3.81Å; L700-L857 HydrophobicContact CD2-CD1 4.4Å
701	L	95.4	Very high	92.5	Very high	17 Å²	17	17.8 Å²	17.8	9%	0.089	8%	0.082	C	C	.	.	H	α-helix	trans	-63.2	-45.5	174.9	174.9	59.1	0	0	0	111.4	Y697 K703 T704 N705 L736 L786 V789 C790 Y793	Y697-L701 WeakPolarHBondContact O-CB 3.31Å; Y697-L701 PolarHBondContact O-N 2.87Å; L701-K703 PolarHBondContact O-N 3.47Å; L701-T704 WeakPolarHBondContact CA-OG1 3.48Å; L701-T704 PolarHBondContact O-N 2.81Å; L701-T704 PolarHBondContact O-OG1 2.65Å; L701-T704 VanDerWaalsContact O-OG1 3.07Å; L701-N705 WeakPolarHBondContact O-CB 3.5Å; L701-N705 PolarHBondContact O-N 2.93Å; L701-L736 HydrophobicContact CD2-CD1 4.12Å; L701-L786 HydrophobicContact CD2-CD2 4.1Å; L701-V789 HydrophobicContact CD1-CG1 3.83Å; L701-V789 HydrophobicContact CD2-CG1 3.96Å; L701-C790 HydrophobicContact CB-CB 4.21Å; L701-C790 HydrophobicContact CD1-CB 4.45Å; L701-Y793 HydrophobicContact CD1-CD2 3.56Å; L701-Y793 HydrophobicContact CD1-CE2 4.12Å; L701-Y793 HydrophobicContact CD1-CG 4.11Å
702	T	94.3	Very high	91.8	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.012	9%	0.088	C	C	.	.	H	α-helix	trans	-59.7	-38.7	176.3	-58.6	0	0	0	0	110.5	L655 A698 S699 R706 Q729 I732	L655-T702 HydrophobicContact CD1-CG2 4.22Å; L655-T702 HydrophobicContact CD2-CG2 4.34Å; A698-T702 WeakPolarHBondContact O-CB 3.44Å; A698-T702 PolarHBondContact O-N 3.02Å; A698-T702 PolarHBondContact O-OG1 2.83Å; S699-T702 PolarHBondContact O-N 3.41Å; T702-R706 WeakPolarHBondContact O-CB 3.38Å; T702-R706 PolarHBondContact O-N 3.05Å; T702-Q729 HydrophobicContact CG2-CB 3.96Å; T702-Q729 HydrophobicContact CG2-CG 4.2Å; T702-I732 HydrophobicContact CG2-CB 4.11Å; T702-I732 HydrophobicContact CG2-CG2 4.08Å
703	K	91.6	Very high	91.2	Very high	7 Å²	7	19.6 Å²	19.6	3%	0.03	9%	0.094	C	C	.	.	H	α-helix	trans	-67.9	-47.3	176.5	-171.6	174	179.2	176.8	0	112.6	T651 L655 S699 L700 L701 R706 I707 E806	T651-K703 WeakPolarHBondContact O-CE 3.34Å; T651-K703 PolarHBondContact O-NZ 2.67Å; L655-K703 HydrophobicContact CD1-CB 4Å; S699-K703 VanDerWaalsContact O-CB 3.3Å; S699-K703 WeakPolarHBondContact O-CB 3.35Å; S699-K703 PolarHBondContact O-N 3.42Å; L700-K703 WeakPolarHBondContact O-CB 3.33Å; L700-K703 PolarHBondContact O-N 2.87Å; L701-K703 PolarHBondContact O-N 3.47Å; K703-R706 WeakPolarHBondContact O-CB 3.48Å; K703-R706 PolarHBondContact O-N 3.33Å; K703-I707 HydrophobicContact CG-CD1 4.28Å; K703-I707 VanDerWaalsContact O-CG1 3.29Å; K703-I707 WeakPolarHBondContact O-CG1 3.47Å; K703-I707 PolarHBondContact O-N 3.49Å; K703-E806 WeakPolarHBondContact CE-OE1 3.3Å; K703-E806 IonicContact NZ-OE1 3.93Å; K703-E806 PolarHBondContact NZ-OE1 2.81Å
704	T	91.2	Very high	90.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-68.7	-39.6	178.5	52.8	0	0	0	0	112.1	L700 L701 I707 A708 Y793 I810	L700-T704 HydrophobicContact CD1-CG2 4.41Å; L700-T704 WeakPolarHBondContact O-CG2 3.33Å; L700-T704 PolarHBondContact O-N 3.48Å; L700-T704 PolarHBondContact O-OG1 3.08Å; L701-T704 WeakPolarHBondContact CA-OG1 3.48Å; L701-T704 PolarHBondContact O-N 2.81Å; L701-T704 PolarHBondContact O-OG1 2.65Å; L701-T704 VanDerWaalsContact O-OG1 3.07Å; T704-I707 PolarHBondContact O-N 2.82Å; T704-A708 WeakPolarHBondContact O-CB 3.34Å; T704-A708 PolarHBondContact O-N 3.41Å; T704-Y793 WeakPolarHBondContact OG1-CB 3.33Å; T704-I810 HydrophobicContact CG2-CD1 4.17Å; T704-I810 HydrophobicContact CG2-CG2 3.47Å; T704-I810 VanDerWaalsContact CG2-CG2 3.47Å
705	N	90.7	Very high	89.6	Confident	31 Å²	31	30.3 Å²	30.3	17%	0.166	15%	0.154	C	C	.	.	H	α-helix	trans	-60.7	-44.7	173	173.9	-86.8	0	0	0	111.2	L701 I707 A708 R709 Y793	L701-N705 WeakPolarHBondContact O-CB 3.5Å; L701-N705 PolarHBondContact O-N 2.93Å; N705-I707 PolarHBondContact O-N 3.39Å; N705-A708 PolarHBondContact O-N 3.3Å; N705-R709 WeakPolarHBondContact O-CB 3.09Å; N705-R709 WeakPolarHBondContact O-CG 3.16Å; N705-R709 PolarHBondContact O-N 3.03Å; N705-R709 VanDerWaalsContact OD1-CZ 3.23Å; N705-R709 PolarHBondContact OD1-NE 3.32Å; N705-R709 PolarHBondContact OD1-NH2 3Å; N705-Y793 HydrophobicContact CB-CD1 4.29Å; N705-Y793 HydrophobicContact CB-CE1 4.1Å; N705-Y793 WeakPolarHBondContact ND2-CE1 3.3Å; N705-Y793 PolarHBondContact ND2-OH 2.95Å
706	R	89.2	Confident	88.8	Confident	60 Å²	60	39.4 Å²	39.4	23%	0.226	19%	0.187	C	C	.	.	H	α-helix	trans	-57.7	-48.6	173.6	177.5	-150.8	171.8	172.4	-17.5	110.9	T702 K703 R709 I710 Q729	T702-R706 WeakPolarHBondContact O-CB 3.38Å; T702-R706 PolarHBondContact O-N 3.05Å; K703-R706 WeakPolarHBondContact O-CB 3.48Å; K703-R706 PolarHBondContact O-N 3.33Å; R706-R709 PolarHBondContact O-N 2.7Å; R706-I710 HydrophobicContact CG-CD1 3.87Å; R706-I710 VanDerWaalsContact O-CG1 3.26Å; R706-I710 WeakPolarHBondContact O-CG1 3.35Å; R706-I710 PolarHBondContact O-N 2.88Å; R706-Q729 VanDerWaalsContact NH1-OE1 3.15Å
707	I	86.9	Confident	88	Confident	10 Å²	10	42.4 Å²	42.4	5%	0.051	21%	0.205	C	C	.	.	H	α-helix	trans	-58.8	-50.5	178.2	-69.1	166.1	0	0	0	110.1	K703 T704 N705 R709 I710 F711 T797 I800 I810	K703-I707 HydrophobicContact CG-CD1 4.28Å; K703-I707 VanDerWaalsContact O-CG1 3.29Å; K703-I707 WeakPolarHBondContact O-CG1 3.47Å; K703-I707 PolarHBondContact O-N 3.49Å; T704-I707 PolarHBondContact O-N 2.82Å; N705-I707 PolarHBondContact O-N 3.39Å; I707-R709 VanDerWaalsContact C-N 3.34Å; I707-R709 PolarHBondContact O-N 3.29Å; I707-I710 PolarHBondContact O-N 3.37Å; I707-F711 HydrophobicContact CG2-CD2 3.99Å; I707-F711 HydrophobicContact CG2-CE2 4.12Å; I707-F711 WeakPolarHBondContact O-CD2 3.31Å; I707-F711 PolarHBondContact O-N 2.95Å; I707-F711 VanDerWaalsContact O-N 3.15Å; I707-T797 HydrophobicContact CB-CG2 4.34Å; I707-T797 HydrophobicContact CG2-CG2 3.91Å; I707-I800 HydrophobicContact CG2-CD1 3.32Å; I707-I810 HydrophobicContact CD1-CD1 4.03Å
708	A	86.4	Confident	87	Confident	5 Å²	5	49.6 Å²	49.6	4%	0.041	25%	0.249	C	C	.	.	H	α-helix	trans	-57	-45.2	178.4	0	0	0	0	0	112.3	T704 N705 I710 F711 D712 Y793 T797	T704-A708 WeakPolarHBondContact O-CB 3.34Å; T704-A708 PolarHBondContact O-N 3.41Å; N705-A708 PolarHBondContact O-N 3.3Å; A708-I710 PolarHBondContact O-N 3.11Å; A708-F711 PolarHBondContact O-N 3.24Å; A708-D712 WeakPolarHBondContact O-CB 3.22Å; A708-D712 PolarHBondContact O-N 2.89Å; A708-Y793 HydrophobicContact CB-CD1 4.05Å; A708-Y793 HydrophobicContact CB-CE1 4.29Å; A708-T797 HydrophobicContact CB-CG2 3.94Å
709	R	87.1	Confident	86	Confident	65 Å²	65	57.5 Å²	57.5	25%	0.245	28%	0.284	C	S	.	.	H	α-helix	trans	-65	-38.3	178.5	-74.3	-170.3	-64.9	171.2	2.9	113.2	N705 R706 I707 A713 V722 Y723	N705-R709 WeakPolarHBondContact O-CB 3.09Å; N705-R709 WeakPolarHBondContact O-CG 3.16Å; N705-R709 PolarHBondContact O-N 3.03Å; N705-R709 VanDerWaalsContact OD1-CZ 3.23Å; N705-R709 PolarHBondContact OD1-NE 3.32Å; N705-R709 PolarHBondContact OD1-NH2 3Å; R706-R709 PolarHBondContact O-N 2.7Å; I707-R709 VanDerWaalsContact C-N 3.34Å; I707-R709 PolarHBondContact O-N 3.29Å; R709-A713 WeakPolarHBondContact O-CB 3.3Å; R709-A713 PolarHBondContact O-N 3.19Å; R709-V722 PolarHBondContact NH1-O 2.98Å; R709-Y723 PolarHBondContact NH2-O 2.6Å
710	I	84.4	Confident	84.8	Confident	54 Å²	54	66.5 Å²	66.5	28%	0.277	32%	0.317	S	S	.	.	H	α-helix	trans	-62.3	-47	176.9	-70.7	165.8	0	0	0	110.4	R706 I707 A708 A714 P721 I724	R706-I710 HydrophobicContact CG-CD1 3.87Å; R706-I710 VanDerWaalsContact O-CG1 3.26Å; R706-I710 WeakPolarHBondContact O-CG1 3.35Å; R706-I710 PolarHBondContact O-N 2.88Å; I707-I710 PolarHBondContact O-N 3.37Å; A708-I710 PolarHBondContact O-N 3.11Å; I710-A714 VanDerWaalsContact O-CB 3.3Å; I710-A714 WeakPolarHBondContact O-CB 3.46Å; I710-A714 PolarHBondContact O-N 3.28Å; I710-P721 HydrophobicContact CG1-CG 4.38Å; I710-I724 HydrophobicContact CD1-CD1 3.63Å; I710-I724 HydrophobicContact CD1-CG1 4.25Å; I710-I724 HydrophobicContact CG1-CD1 3.59Å; I710-I724 HydrophobicContact CG1-CG1 4.47Å
711	F	82.4	Confident	83.9	Confident	59 Å²	59	68 Å²	68	26%	0.259	33%	0.328	S	S	.	.	H	α-helix	trans	-73.4	-39.8	-178.5	-80.9	-81.9	0	0	0	112.9	I707 A708 A713 A714 K715 I800	I707-F711 HydrophobicContact CG2-CD2 3.99Å; I707-F711 HydrophobicContact CG2-CE2 4.12Å; I707-F711 WeakPolarHBondContact O-CD2 3.31Å; I707-F711 PolarHBondContact O-N 2.95Å; I707-F711 VanDerWaalsContact O-N 3.15Å; A708-F711 PolarHBondContact O-N 3.24Å; F711-A713 VanDerWaalsContact C-N 3.32Å; F711-A713 PolarHBondContact O-N 3.39Å; F711-A714 PolarHBondContact O-N 3.24Å; F711-K715 WeakPolarHBondContact O-CG 3.23Å; F711-K715 PolarHBondContact O-N 3.43Å; F711-K715 VanDerWaalsContact O-N 3.09Å; F711-I800 HydrophobicContact CB-CG1 4.49Å; F711-I800 HydrophobicContact CD1-CG1 4.31Å; F711-I800 HydrophobicContact CD1-CG2 4.32Å; F711-I800 HydrophobicContact CD2-CD1 3.43Å; F711-I800 VanDerWaalsContact CD2-CD1 3.43Å; F711-I800 HydrophobicContact CD2-CG1 3.85Å; F711-I800 HydrophobicContact CD2-CG2 4.19Å; F711-I800 HydrophobicContact CE1-CG2 3.75Å; F711-I800 HydrophobicContact CE2-CD1 3.73Å; F711-I800 HydrophobicContact CE2-CG1 4.13Å; F711-I800 HydrophobicContact CE2-CG2 3.6Å; F711-I800 HydrophobicContact CG-CD1 4.01Å; F711-I800 HydrophobicContact CG-CG1 3.96Å; F711-I800 HydrophobicContact CZ-CG1 4.48Å; F711-I800 HydrophobicContact CZ-CG2 3.35Å
712	D	81.8	Confident	83.2	Confident	53 Å²	53	72.2 Å²	72.2	28%	0.283	35%	0.353	S	S	.	.	H	α-helix	trans	-63.8	-38.7	174.9	-76.9	-16.3	0	0	0	111.3	A708 K796	A708-D712 WeakPolarHBondContact O-CB 3.22Å; A708-D712 PolarHBondContact O-N 2.89Å; D712-K796 VanDerWaalsContact OD2-CE 3.28Å; D712-K796 WeakPolarHBondContact OD2-CE 3.47Å; D712-K796 IonicContact OD2-NZ 3.61Å; D712-K796 PolarHBondContact OD2-NZ 2.94Å
713	A	82.1	Confident	82.4	Confident	17 Å²	17	79.1 Å²	79.1	14%	0.14	38%	0.38	C	S	.	.	H	α-helix	trans	-66.6	-45.6	173	0	0	0	0	0	111.4	R709 F711 K715 R716 T717 P721	R709-A713 WeakPolarHBondContact O-CB 3.3Å; R709-A713 PolarHBondContact O-N 3.19Å; F711-A713 VanDerWaalsContact C-N 3.32Å; F711-A713 PolarHBondContact O-N 3.39Å; A713-K715 PolarHBondContact O-N 3.3Å; A713-R716 CarbonylContact O-C 3.43Å; A713-R716 PolarHBondContact O-N 2.75Å; A713-T717 PolarHBondContact O-N 2.98Å; A713-P721 HydrophobicContact CB-CB 4.07Å; A713-P721 HydrophobicContact CB-CG 4.02Å
714	A	79.8	Confident	81.9	Confident	72 Å²	72	80 Å²	80	60%	0.595	39%	0.385	S	S	*	.	H	α-helix	trans	-60.1	-27.3	179.3	0	0	0	0	0	113.5	I710 F711 R716	I710-A714 VanDerWaalsContact O-CB 3.3Å; I710-A714 WeakPolarHBondContact O-CB 3.46Å; I710-A714 PolarHBondContact O-N 3.28Å; F711-A714 PolarHBondContact O-N 3.24Å; A714-R716 VanDerWaalsContact C-N 3.34Å
715	K	78.4	Confident	81.6	Confident	153 Å²	153	82.6 Å²	82.6	67%	0.665	40%	0.403	S	S	*	.	H	α-helix	trans	-71	-26.7	171.7	-71.9	175.7	-178.4	178.8	0	113.5	F711 A713	F711-K715 WeakPolarHBondContact O-CG 3.23Å; F711-K715 PolarHBondContact O-N 3.43Å; F711-K715 VanDerWaalsContact O-N 3.09Å; A713-K715 PolarHBondContact O-N 3.3Å
716	R	80.5	Confident	81.4	Confident	222 Å²	222	84.7 Å²	84.7	84%	0.838	42%	0.419	S	S	*	.	H	α-helix	trans	-110	-32.5	-169.4	-65.2	-179.7	179.8	-172.9	-0.6	113.7	A713 A714	A713-R716 CarbonylContact O-C 3.43Å; A713-R716 PolarHBondContact O-N 2.75Å; A714-R716 VanDerWaalsContact C-N 3.34Å
717	T	80.2	Confident	81.4	Confident	64 Å²	64	92.1 Å²	92.1	39%	0.393	45%	0.447	S	S	.	.			trans	-157.9	152.6	-170.5	-172.6	0	0	0	0	112.1	A713 K719	A713-T717 PolarHBondContact O-N 2.98Å; T717-K719 VanDerWaalsContact C-N 3.29Å; T717-K719 HydrophobicContact CG2-CB 4.1Å; T717-K719 PolarHBondContact OG1-N 3.04Å; T717-K719 VanDerWaalsContact OG1-N 3.12Å
718	T	75.3	Confident	81.5	Confident	150 Å²	150	92.5 Å²	92.5	92%	0.92	45%	0.45	S	S	*	.	S	Bend	trans	-81.2	-8.9	168	53.5	0	0	0	0	112.6	R720	T718-R720 PolarHBondContact O-N 3.45Å
719	K	76.4	Confident	81.8	Confident	166 Å²	166	92.5 Å²	92.5	72%	0.722	45%	0.449	S	S	*	.	S	Bend	trans	-68.3	131.3	176.7	-73.8	-172.2	177.2	-178.9	0	110.8	T717	T717-K719 VanDerWaalsContact C-N 3.29Å; T717-K719 HydrophobicContact CG2-CB 4.1Å; T717-K719 PolarHBondContact OG1-N 3.04Å; T717-K719 VanDerWaalsContact OG1-N 3.12Å
720	R	70.7	Confident	82.1	Confident	189 Å²	189	92.4 Å²	92.4	71%	0.713	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-64.1	128	177.7	-165.9	178.8	-170.4	-157.4	-0.2	109.9	T718 I724	T718-R720 PolarHBondContact O-N 3.45Å; R720-I724 HydrophobicContact CG-CD1 4.38Å; R720-I724 HydrophobicContact CG-CG2 4.08Å; R720-I724 VanDerWaalsContact CZ-CG2 3.47Å; R720-I724 VanDerWaalsContact NE-CG2 3.33Å
721	P	76.2	Confident	82.5	Confident	33 Å²	33	92.9 Å²	92.9	21%	0.214	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-65.9	151.2	179.2	25.3	-32.9	0	0	0	112	I710 A713 I724	I710-P721 HydrophobicContact CG1-CG 4.38Å; A713-P721 HydrophobicContact CB-CB 4.07Å; A713-P721 HydrophobicContact CB-CG 4.02Å; P721-I724 HydrophobicContact CG-CD1 4.35Å
722	V	80.9	Confident	83.1	Confident	104 Å²	104	92.4 Å²	92.4	63%	0.63	47%	0.465	S	S	*	.	S	Bend	trans	-69.5	151.4	178.7	-169.3	0	0	0	0	110.8	R709	R709-V722 PolarHBondContact NH1-O 2.98Å
723	Y	78.1	Confident	83.7	Confident	147 Å²	147	89.9 Å²	89.9	58%	0.576	45%	0.452	S	S	*	.	S	Bend	trans	63	39.4	180	-46.2	-69	0	0	0	115.9	R709 S728	R709-Y723 PolarHBondContact NH2-O 2.6Å; Y723-S728 WeakPolarHBondContact CA-OG 2.94Å; Y723-S728 PolarHBondContact O-OG 2.93Å
724	I	80.4	Confident	84.4	Confident	25 Å²	25	90.7 Å²	90.7	13%	0.128	46%	0.461	C	S	.	.			trans	-95.9	-10.1	174.8	-164.7	165.8	0	0	0	113.2	I710 R720 P721 Q729	I710-I724 HydrophobicContact CD1-CD1 3.63Å; I710-I724 HydrophobicContact CD1-CG1 4.25Å; I710-I724 HydrophobicContact CG1-CD1 3.59Å; I710-I724 HydrophobicContact CG1-CG1 4.47Å; R720-I724 HydrophobicContact CG-CD1 4.38Å; R720-I724 HydrophobicContact CG-CG2 4.08Å; R720-I724 VanDerWaalsContact CZ-CG2 3.47Å; R720-I724 VanDerWaalsContact NE-CG2 3.33Å; P721-I724 HydrophobicContact CG-CD1 4.35Å; I724-Q729 PolarHBondContact O-NE2 3.39Å
725	S	85.3	Confident	85.2	Confident	55 Å²	55	90.6 Å²	90.6	39%	0.385	46%	0.457	S	S	.	.	S	Bend	trans	-70	147.8	-178.1	74	0	0	0	0	111.2	R727 S728 Q729	S725-R727 VanDerWaalsContact C-N 3.26Å; S725-R727 PolarHBondContact O-N 3.01Å; S725-S728 PolarHBondContact N-OG 2.77Å; S725-S728 VanDerWaalsContact N-OG 3.17Å; S725-S728 PolarHBondContact O-N 3.26Å; S725-S728 VanDerWaalsContact O-N 3.09Å; S725-S728 PolarHBondContact O-OG 3.17Å; S725-S728 WeakPolarHBondContact OG-CB 3.19Å; S725-S728 PolarHBondContact OG-N 3.39Å; S725-S728 PolarHBondContact OG-OG 3.38Å; S725-Q729 WeakPolarHBondContact O-CG 3.29Å; S725-Q729 PolarHBondContact O-N 3.32Å
726	P	86.3	Confident	86.1	Confident	75 Å²	75	85.2 Å²	85.2	49%	0.487	44%	0.435	S	S	.	.	H	α-helix	trans	-55.9	-39.2	177.9	-26.6	34.8	0	0	0	113.4	E654 Q729 L730	E654-P726 HydrophobicContact CG-CB 4.03Å; P726-Q729 WeakPolarHBondContact O-CB 3.39Å; P726-Q729 PolarHBondContact O-N 2.87Å; P726-L730 PolarHBondContact O-N 3.29Å
727	R	88.7	Confident	86.9	Confident	216 Å²	216	75.7 Å²	75.7	82%	0.815	40%	0.4	S	S	*	.	H	α-helix	trans	-62	-43.7	175.4	-65.9	-176.6	-177.3	165.5	-0	112.1	S725 Q729 L730 A731	S725-R727 VanDerWaalsContact C-N 3.26Å; S725-R727 PolarHBondContact O-N 3.01Å; R727-Q729 VanDerWaalsContact C-N 3.3Å; R727-Q729 PolarHBondContact O-N 3.21Å; R727-L730 PolarHBondContact O-N 2.9Å; R727-A731 WeakPolarHBondContact O-CB 3.29Å; R727-A731 PolarHBondContact O-N 3.23Å
728	S	90	Very high	87.6	Confident	18 Å²	18	74.8 Å²	74.8	13%	0.126	40%	0.4	C	S	.	.	H	α-helix	trans	-66.2	-33.1	176.1	66.4	0	0	0	0	112.6	Y723 S725 A731 I732	Y723-S728 WeakPolarHBondContact CA-OG 2.94Å; Y723-S728 PolarHBondContact O-OG 2.93Å; S725-S728 PolarHBondContact N-OG 2.77Å; S725-S728 VanDerWaalsContact N-OG 3.17Å; S725-S728 PolarHBondContact O-N 3.26Å; S725-S728 VanDerWaalsContact O-N 3.09Å; S725-S728 PolarHBondContact O-OG 3.17Å; S725-S728 WeakPolarHBondContact OG-CB 3.19Å; S725-S728 PolarHBondContact OG-N 3.39Å; S725-S728 PolarHBondContact OG-OG 3.38Å; S728-A731 PolarHBondContact O-N 3.45Å; S728-I732 WeakPolarHBondContact O-CD1 3.26Å; S728-I732 VanDerWaalsContact O-CG1 3.24Å; S728-I732 WeakPolarHBondContact O-CG1 3.33Å; S728-I732 PolarHBondContact O-N 3.48Å
729	Q	91.7	Very high	88.6	Confident	5 Å²	5	71.6 Å²	71.6	2%	0.023	38%	0.376	C	S	.	.	H	α-helix	trans	-68.3	-44	175.2	-70.9	168.2	28.7	0	0	111.7	L655 T702 R706 I724 S725 P726 R727 A731 I732 S733	L655-Q729 HydrophobicContact CD1-CB 4.1Å; L655-Q729 HydrophobicContact CD1-CG 4.45Å; L655-Q729 HydrophobicContact CD2-CB 4.19Å; L655-Q729 HydrophobicContact CG-CB 4.25Å; T702-Q729 HydrophobicContact CG2-CB 3.96Å; T702-Q729 HydrophobicContact CG2-CG 4.2Å; R706-Q729 VanDerWaalsContact NH1-OE1 3.15Å; I724-Q729 PolarHBondContact O-NE2 3.39Å; S725-Q729 WeakPolarHBondContact O-CG 3.29Å; S725-Q729 PolarHBondContact O-N 3.32Å; P726-Q729 WeakPolarHBondContact O-CB 3.39Å; P726-Q729 PolarHBondContact O-N 2.87Å; R727-Q729 VanDerWaalsContact C-N 3.3Å; R727-Q729 PolarHBondContact O-N 3.21Å; Q729-A731 VanDerWaalsContact C-N 3.29Å; Q729-A731 PolarHBondContact O-N 3.43Å; Q729-I732 PolarHBondContact O-N 2.82Å; Q729-S733 WeakPolarHBondContact O-CB 3.37Å; Q729-S733 PolarHBondContact O-N 3.49Å
730	L	93.9	Very high	89.5	Confident	63 Å²	63	63.7 Å²	63.7	33%	0.33	34%	0.342	S	S	.	.	H	α-helix	trans	-62.2	-38.1	173.5	-77.2	177.8	0	0	0	111.8	E654 V658 P726 R727 G734	E654-L730 HydrophobicContact CB-CD1 3.85Å; E654-L730 HydrophobicContact CB-CD2 3.92Å; E654-L730 HydrophobicContact CB-CG 3.85Å; E654-L730 HydrophobicContact CG-CD1 4.18Å; V658-L730 HydrophobicContact CG2-CD2 3.79Å; P726-L730 PolarHBondContact O-N 3.29Å; R727-L730 PolarHBondContact O-N 2.9Å; L730-G734 WeakPolarHBondContact O-CA 3.15Å; L730-G734 PolarHBondContact O-N 3.43Å
731	A	94.2	Very high	90.6	Very high	64 Å²	64	58.4 Å²	58.4	53%	0.529	33%	0.327	S	S	.	.	H	α-helix	trans	-64.6	-42.8	175.5	0	0	0	0	0	112.4	R727 S728 Q729 G734 S735	R727-A731 WeakPolarHBondContact O-CB 3.29Å; R727-A731 PolarHBondContact O-N 3.23Å; S728-A731 PolarHBondContact O-N 3.45Å; Q729-A731 VanDerWaalsContact C-N 3.29Å; Q729-A731 PolarHBondContact O-N 3.43Å; A731-G734 PolarHBondContact O-N 3.08Å; A731-S735 WeakPolarHBondContact O-CB 3.47Å; A731-S735 PolarHBondContact O-N 3.1Å; A731-S735 PolarHBondContact O-OG 2.6Å
732	I	93.9	Very high	91.5	Very high	49 Å²	49	59.9 Å²	59.9	25%	0.251	34%	0.339	S	S	.	.	H	α-helix	trans	-66.7	-47	176.6	-65.8	162.6	0	0	0	111	T702 S728 Q729 G734 S735 L736	T702-I732 HydrophobicContact CG2-CB 4.11Å; T702-I732 HydrophobicContact CG2-CG2 4.08Å; S728-I732 WeakPolarHBondContact O-CD1 3.26Å; S728-I732 VanDerWaalsContact O-CG1 3.24Å; S728-I732 WeakPolarHBondContact O-CG1 3.33Å; S728-I732 PolarHBondContact O-N 3.48Å; Q729-I732 PolarHBondContact O-N 2.82Å; I732-G734 VanDerWaalsContact C-N 3.29Å; I732-G734 PolarHBondContact O-N 3.25Å; I732-S735 PolarHBondContact O-N 2.91Å; I732-S735 PolarHBondContact O-OG 3.36Å; I732-L736 HydrophobicContact CG2-CD1 4.47Å; I732-L736 WeakPolarHBondContact O-CG 3.3Å; I732-L736 PolarHBondContact O-N 3.31Å
733	S	95.4	Very high	92.1	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.007	33%	0.327	C	S	.	.	H	α-helix	trans	-63.6	-40.2	176.9	-173	0	0	0	0	110.9	S699 Q729 L736 I737	S699-S733 WeakPolarHBondContact CA-OG 3.47Å; S699-S733 PolarHBondContact N-OG 3.26Å; Q729-S733 WeakPolarHBondContact O-CB 3.37Å; Q729-S733 PolarHBondContact O-N 3.49Å; S733-L736 PolarHBondContact O-N 3.37Å; S733-I737 WeakPolarHBondContact O-CD1 3.25Å; S733-I737 WeakPolarHBondContact O-CG1 3.07Å; S733-I737 PolarHBondContact O-N 2.88Å
734	G	95.5	Very high	92.7	Very high	33 Å²	33	51.7 Å²	51.7	34%	0.34	30%	0.301	S	S	.	.	H	α-helix	trans	-65.9	-38.6	178.6	0	0	0	0	0	112.6	L730 A731 I732 I737 A738	L730-G734 WeakPolarHBondContact O-CA 3.15Å; L730-G734 PolarHBondContact O-N 3.43Å; A731-G734 PolarHBondContact O-N 3.08Å; I732-G734 VanDerWaalsContact C-N 3.29Å; I732-G734 PolarHBondContact O-N 3.25Å; G734-I737 PolarHBondContact O-N 2.76Å; G734-A738 VanDerWaalsContact O-CB 3.24Å; G734-A738 WeakPolarHBondContact O-CB 3.25Å; G734-A738 PolarHBondContact O-N 3.38Å
735	S	96.5	Very high	93.2	Very high	71 Å²	71	53.4 Å²	53.4	50%	0.497	32%	0.319	S	S	.	.	H	α-helix	trans	-68	-38.1	176.3	66.6	0	0	0	0	112.4	A731 I732 A738 L739	A731-S735 WeakPolarHBondContact O-CB 3.47Å; A731-S735 PolarHBondContact O-N 3.1Å; A731-S735 PolarHBondContact O-OG 2.6Å; I732-S735 PolarHBondContact O-N 2.91Å; I732-S735 PolarHBondContact O-OG 3.36Å; S735-A738 PolarHBondContact O-N 3.11Å; S735-L739 PolarHBondContact O-N 3.22Å
736	L	96.9	Very high	93.5	Very high	39 Å²	39	55.2 Å²	55.2	20%	0.204	32%	0.324	C	S	.	.	H	α-helix	trans	-65.1	-41.2	172.7	-67.9	173.5	0	0	0	111.8	A698 L701 I732 S733 L739 Q740 Y782 L786	A698-L736 HydrophobicContact CB-CB 3.61Å; A698-L736 HydrophobicContact CB-CD1 4.03Å; A698-L736 HydrophobicContact CB-CG 4.5Å; L701-L736 HydrophobicContact CD2-CD1 4.12Å; I732-L736 HydrophobicContact CG2-CD1 4.47Å; I732-L736 WeakPolarHBondContact O-CG 3.3Å; I732-L736 PolarHBondContact O-N 3.31Å; S733-L736 PolarHBondContact O-N 3.37Å; L736-L739 WeakPolarHBondContact O-CB 3.31Å; L736-L739 PolarHBondContact O-N 3.38Å; L736-Q740 PolarHBondContact O-N 3.37Å; L736-Y782 PolarHBondContact O-OH 3.2Å; L736-L786 HydrophobicContact CD2-CD2 4.44Å
737	I	97.4	Very high	93.6	Very high	22 Å²	22	52.9 Å²	52.9	11%	0.113	31%	0.305	C	S	.	.	H	α-helix	trans	-67.3	-41.6	175.3	-65.9	159.8	0	0	0	111.1	V658 L691 M695 A698 S733 G734 L739 Q740 L741	V658-I737 HydrophobicContact CG1-CD1 3.82Å; L691-I737 HydrophobicContact CD1-CG2 3.75Å; M695-I737 HydrophobicContact CB-CD1 4.42Å; M695-I737 HydrophobicContact CG-CD1 4.01Å; M695-I737 HydrophobicContact CG-CG1 4.31Å; M695-I737 HydrophobicContact CG-CG2 4.26Å; A698-I737 HydrophobicContact CB-CG1 3.95Å; S733-I737 WeakPolarHBondContact O-CD1 3.25Å; S733-I737 WeakPolarHBondContact O-CG1 3.07Å; S733-I737 PolarHBondContact O-N 2.88Å; G734-I737 PolarHBondContact O-N 2.76Å; I737-L739 VanDerWaalsContact C-N 3.25Å; I737-L739 PolarHBondContact O-N 3.4Å; I737-Q740 WeakPolarHBondContact O-CB 2.86Å; I737-Q740 PolarHBondContact O-N 2.82Å; I737-Q740 VanDerWaalsContact O-N 3.1Å; I737-L741 PolarHBondContact O-N 2.82Å; I737-L741 VanDerWaalsContact O-N 3.14Å
738	A	96.1	Very high	93.6	Very high	46 Å²	46	45.3 Å²	45.3	38%	0.38	28%	0.278	S	S	.	.	H	α-helix	trans	-61.2	-35.1	177.2	0	0	0	0	0	111.8	G734 S735 Q740 L741 S742	G734-A738 VanDerWaalsContact O-CB 3.24Å; G734-A738 WeakPolarHBondContact O-CB 3.25Å; G734-A738 PolarHBondContact O-N 3.38Å; S735-A738 PolarHBondContact O-N 3.11Å; A738-Q740 VanDerWaalsContact C-N 3.34Å; A738-Q740 PolarHBondContact O-N 2.9Å; A738-L741 PolarHBondContact O-N 3.4Å; A738-S742 PolarHBondContact O-N 3.36Å; A738-S742 PolarHBondContact O-OG 3.17Å; A738-S742 VanDerWaalsContact O-OG 3.11Å
739	L	96.2	Very high	93.4	Very high	82 Å²	82	47.9 Å²	47.9	43%	0.429	31%	0.307	S	S	.	.	H	α-helix	trans	-60	-42.2	173.5	-179.2	57	0	0	0	111.9	S735 L736 I737 S742 L743 Y782	S735-L739 PolarHBondContact O-N 3.22Å; L736-L739 WeakPolarHBondContact O-CB 3.31Å; L736-L739 PolarHBondContact O-N 3.38Å; I737-L739 VanDerWaalsContact C-N 3.25Å; I737-L739 PolarHBondContact O-N 3.4Å; L739-S742 PolarHBondContact O-N 3.01Å; L739-L743 HydrophobicContact CD1-CG 4.44Å; L739-L743 HydrophobicContact CG-CD1 4.43Å; L739-L743 VanDerWaalsContact O-CG 3.29Å; L739-L743 WeakPolarHBondContact O-CG 3.45Å; L739-L743 PolarHBondContact O-N 3Å; L739-Y782 HydrophobicContact CD2-CD2 4.27Å; L739-Y782 HydrophobicContact CD2-CE2 3.47Å; L739-Y782 VanDerWaalsContact CD2-CE2 3.47Å; L739-Y782 HydrophobicContact CG-CE2 4Å
740	Q	95.3	Very high	93.2	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-62.8	-42	173.6	174.7	63.6	51.5	0	0	112.1	A694 L736 I737 A738 L743 S744 Y782 N783	A694-Q740 HydrophobicContact CB-CB 3.7Å; A694-Q740 HydrophobicContact CB-CG 3.87Å; L736-Q740 PolarHBondContact O-N 3.37Å; I737-Q740 WeakPolarHBondContact O-CB 2.86Å; I737-Q740 PolarHBondContact O-N 2.82Å; I737-Q740 VanDerWaalsContact O-N 3.1Å; A738-Q740 VanDerWaalsContact C-N 3.34Å; A738-Q740 PolarHBondContact O-N 2.9Å; Q740-L743 PolarHBondContact O-N 2.92Å; Q740-S744 PolarHBondContact NE2-OG 3.12Å; Q740-S744 VanDerWaalsContact NE2-OG 3.09Å; Q740-S744 WeakPolarHBondContact O-CB 3.39Å; Q740-S744 PolarHBondContact O-N 2.62Å; Q740-S744 PolarHBondContact O-OG 3.25Å; Q740-Y782 HydrophobicContact CB-CD1 4Å; Q740-Y782 HydrophobicContact CB-CE1 3.89Å; Q740-Y782 VanDerWaalsContact OE1-CD1 3.24Å; Q740-N783 PolarHBondContact OE1-ND2 3.49Å
741	L	94.3	Very high	92.7	Very high	77 Å²	77	53.4 Å²	53.4	40%	0.403	33%	0.33	S	S	.	.	H	α-helix	trans	-63.4	-42.2	177.5	-72.3	172.7	0	0	0	111.5	I687 L691 I737 A738 S744 A745	I687-L741 HydrophobicContact CG2-CD2 4.38Å; L691-L741 HydrophobicContact CD1-CD1 4.46Å; L691-L741 HydrophobicContact CD1-CD2 4Å; L691-L741 HydrophobicContact CD1-CG 4.21Å; L691-L741 HydrophobicContact CD2-CD2 4.47Å; I737-L741 PolarHBondContact O-N 2.82Å; I737-L741 VanDerWaalsContact O-N 3.14Å; A738-L741 PolarHBondContact O-N 3.4Å; L741-S744 WeakPolarHBondContact O-CB 3.48Å; L741-S744 PolarHBondContact O-N 2.81Å; L741-A745 PolarHBondContact O-N 3.06Å
742	S	94.1	Very high	92.4	Very high	65 Å²	65	54.4 Å²	54.4	46%	0.455	33%	0.333	S	S	.	.	H	α-helix	trans	-62.4	-43.7	174.7	-61.2	0	0	0	0	112.2	A738 L739 S744 A745 I746	A738-S742 PolarHBondContact O-N 3.36Å; A738-S742 PolarHBondContact O-OG 3.17Å; A738-S742 VanDerWaalsContact O-OG 3.11Å; L739-S742 PolarHBondContact O-N 3.01Å; S742-S744 VanDerWaalsContact C-N 3.29Å; S742-S744 PolarHBondContact O-N 2.93Å; S742-A745 PolarHBondContact O-N 3.41Å; S742-I746 VanDerWaalsContact O-CG1 3.26Å; S742-I746 WeakPolarHBondContact O-CG1 3.41Å; S742-I746 PolarHBondContact O-N 3.14Å
743	L	93	Very high	92	Very high	73 Å²	73	53.6 Å²	53.6	38%	0.382	33%	0.331	S	S	.	.	H	α-helix	trans	-62	-37.8	174.7	-70	173.2	0	0	0	111.9	L739 Q740 W747 Y782	L739-L743 HydrophobicContact CD1-CG 4.44Å; L739-L743 HydrophobicContact CG-CD1 4.43Å; L739-L743 VanDerWaalsContact O-CG 3.29Å; L739-L743 WeakPolarHBondContact O-CG 3.45Å; L739-L743 PolarHBondContact O-N 3Å; Q740-L743 PolarHBondContact O-N 2.92Å; L743-W747 WeakPolarHBondContact O-CB 3.37Å; L743-W747 PolarHBondContact O-N 3.47Å; L743-Y782 HydrophobicContact CD1-CD1 4.41Å; L743-Y782 HydrophobicContact CD1-CD2 4.14Å; L743-Y782 HydrophobicContact CD1-CG 3.83Å
744	S	91.2	Very high	91.7	Very high	5 Å²	5	57.2 Å²	57.2	4%	0.035	35%	0.35	C	S	.	.	H	α-helix	trans	-68.5	-38	176.7	-50.2	0	0	0	0	111.8	Q740 L741 S742 W747 F748	Q740-S744 PolarHBondContact NE2-OG 3.12Å; Q740-S744 VanDerWaalsContact NE2-OG 3.09Å; Q740-S744 WeakPolarHBondContact O-CB 3.39Å; Q740-S744 PolarHBondContact O-N 2.62Å; Q740-S744 PolarHBondContact O-OG 3.25Å; L741-S744 WeakPolarHBondContact O-CB 3.48Å; L741-S744 PolarHBondContact O-N 2.81Å; S742-S744 VanDerWaalsContact C-N 3.29Å; S742-S744 PolarHBondContact O-N 2.93Å; S744-W747 WeakPolarHBondContact O-CB 3.28Å; S744-W747 PolarHBondContact O-N 2.94Å; S744-F748 PolarHBondContact O-N 3.27Å; S744-F748 VanDerWaalsContact O-N 3.08Å
745	A	91.1	Very high	91.4	Very high	61 Å²	61	57.8 Å²	57.8	50%	0.504	35%	0.347	S	S	.	.	H	α-helix	trans	-68	-42	175	0	0	0	0	0	112.3	L741 S742 W747 F748 G749	L741-A745 PolarHBondContact O-N 3.06Å; S742-A745 PolarHBondContact O-N 3.41Å; A745-W747 VanDerWaalsContact C-N 3.26Å; A745-W747 PolarHBondContact O-N 3.4Å; A745-F748 PolarHBondContact O-N 3.41Å; A745-G749 PolarHBondContact O-N 3.06Å
746	I	91.2	Very high	91	Very high	94 Å²	94	58.1 Å²	58.1	48%	0.482	34%	0.337	S	S	.	.	H	α-helix	trans	-59.6	-41.9	172.7	-69.1	164.9	0	0	0	109.9	S742 F748 G749 F750	S742-I746 VanDerWaalsContact O-CG1 3.26Å; S742-I746 WeakPolarHBondContact O-CG1 3.41Å; S742-I746 PolarHBondContact O-N 3.14Å; I746-F748 PolarHBondContact O-N 3.17Å; I746-G749 PolarHBondContact O-N 2.97Å; I746-G749 VanDerWaalsContact O-N 3.09Å; I746-F750 HydrophobicContact CG2-CD2 3.78Å; I746-F750 HydrophobicContact CG2-CE2 3.49Å; I746-F750 VanDerWaalsContact CG2-CE2 3.49Å; I746-F750 VanDerWaalsContact O-CD2 3.28Å; I746-F750 WeakPolarHBondContact O-CD2 3.12Å; I746-F750 PolarHBondContact O-N 3.4Å
747	W	88.2	Confident	90.5	Very high	25 Å²	25	58.6 Å²	58.6	10%	0.095	34%	0.339	C	S	.	.	H	α-helix	trans	-61.1	-42.7	177.3	-173.7	15.6	0	0	0	112.5	R686 L743 S744 A745 G749 F750 D751 S775 F776 S779	R686-W747 HydrophobicContact CB-CE3 4.45Å; R686-W747 HydrophobicContact CB-CZ3 4.02Å; R686-W747 HydrophobicContact CG-CH2 4.03Å; R686-W747 HydrophobicContact CG-CZ3 4.03Å; L743-W747 WeakPolarHBondContact O-CB 3.37Å; L743-W747 PolarHBondContact O-N 3.47Å; S744-W747 WeakPolarHBondContact O-CB 3.28Å; S744-W747 PolarHBondContact O-N 2.94Å; A745-W747 VanDerWaalsContact C-N 3.26Å; A745-W747 PolarHBondContact O-N 3.4Å; W747-G749 PolarHBondContact O-N 3.16Å; W747-F750 PolarHBondContact O-N 2.95Å; W747-F750 VanDerWaalsContact O-N 3.11Å; W747-D751 PolarHBondContact O-N 3.12Å; W747-S775 WeakPolarHBondContact CZ2-O 3.44Å; W747-S775 PolarHBondContact NE1-OG 3.27Å; W747-F776 HydrophobicContact CH2-CD2 4.38Å; W747-S779 VanDerWaalsContact CE3-CB 3.44Å; W747-S779 WeakPolarHBondContact CZ3-OG 3.47Å
748	F	89	Confident	89.8	Confident	58 Å²	58	59.4 Å²	59.4	25%	0.254	34%	0.344	S	S	.	.	H	α-helix	trans	-61.7	-29.5	173.3	-72.3	-21.1	0	0	0	114.1	R686 I687 S744 A745 I746 D751	R686-F748 HydrophobicContact CB-CE1 3.79Å; R686-F748 HydrophobicContact CB-CZ 4.29Å; R686-F748 HydrophobicContact CG-CE1 4.45Å; I687-F748 HydrophobicContact CD1-CE2 3.7Å; I687-F748 HydrophobicContact CD1-CZ 3.8Å; I687-F748 HydrophobicContact CG1-CE2 3.77Å; I687-F748 HydrophobicContact CG1-CZ 3.56Å; S744-F748 PolarHBondContact O-N 3.27Å; S744-F748 VanDerWaalsContact O-N 3.08Å; A745-F748 PolarHBondContact O-N 3.41Å; I746-F748 PolarHBondContact O-N 3.17Å; F748-D751 CarbonylContact O-C 3.53Å
749	G	86.9	Confident	89.1	Confident	71 Å²	71	62.1 Å²	62.1	73%	0.732	35%	0.349	S	S	*	.	H	α-helix	trans	-67.7	-35.5	173	0	0	0	0	0	113.2	A745 I746 W747	A745-G749 PolarHBondContact O-N 3.06Å; I746-G749 PolarHBondContact O-N 2.97Å; I746-G749 VanDerWaalsContact O-N 3.09Å; W747-G749 PolarHBondContact O-N 3.16Å
750	F	86.2	Confident	88.1	Confident	164 Å²	164	61 Å²	61	72%	0.719	34%	0.343	S	S	*	.	H	α-helix	trans	-85.7	-40.5	-179.6	-74.3	-64.8	0	0	0	113.9	I746 W747	I746-F750 HydrophobicContact CG2-CD2 3.78Å; I746-F750 HydrophobicContact CG2-CE2 3.49Å; I746-F750 VanDerWaalsContact CG2-CE2 3.49Å; I746-F750 VanDerWaalsContact O-CD2 3.28Å; I746-F750 WeakPolarHBondContact O-CD2 3.12Å; I746-F750 PolarHBondContact O-N 3.4Å; W747-F750 PolarHBondContact O-N 2.95Å; W747-F750 VanDerWaalsContact O-N 3.11Å
751	D	84.4	Confident	87.2	Confident	21 Å²	21	69.6 Å²	69.6	11%	0.112	38%	0.375	C	S	.	.	S	Bend	trans	-127.1	105.3	177.5	-73.4	-27.7	0	0	0	107.4	R686 W747 F748 K772 S775	R686-D751 PolarHBondContact NH1-O 2.97Å; W747-D751 PolarHBondContact O-N 3.12Å; F748-D751 CarbonylContact O-C 3.53Å; D751-K772 VanDerWaalsContact OD1-CE 3.31Å; D751-K772 WeakPolarHBondContact OD1-CE 3.37Å; D751-K772 IonicContact OD1-NZ 2.74Å; D751-K772 PolarHBondContact OD1-NZ 3.43Å; D751-S775 PolarHBondContact OD2-OG 2.99Å
752	S	86.8	Confident	86.2	Confident	85 Å²	85	70.9 Å²	70.9	59%	0.594	39%	0.388	S	S	*	.			trans	-60.7	147.2	172.2	53.7	0	0	0	0	110.5	R686 D754	R686-S752 PolarHBondContact NH2-O 3.47Å; S752-D754 PolarHBondContact O-N 3.4Å
753	P	85.9	Confident	85.3	Confident	31 Å²	31	68.8 Å²	68.8	20%	0.201	38%	0.377	C	S	.	.			trans	-73.4	118.7	173.2	28.9	-31.4	0	0	0	109.3	S683	S683-P753 WeakPolarHBondContact OG-CB 3.28Å; S683-P753 WeakPolarHBondContact OG-CG 3.49Å
754	D	89.4	Confident	84.7	Confident	78 Å²	78	68.8 Å²	68.8	42%	0.417	37%	0.372	S	S	.	.			trans	-142.5	174.6	177.2	-162.1	6	0	0	0	110	S752 A770	S752-D754 PolarHBondContact O-N 3.4Å; D754-A770 HydrophobicContact CB-CB 3.94Å; D754-A770 WeakPolarHBondContact O-CB 3.23Å; D754-A770 PolarHBondContact O-N 2.85Å
755	T	89.3	Confident	84.4	Confident	44 Å²	44	68.6 Å²	68.6	27%	0.27	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	141.9	171.8	54	0	0	0	0	110.4	P677 R768	P677-T755 HydrophobicContact CB-CG2 4.19Å; T755-R768 CarbonylContact C-O 3.56Å; T755-R768 WeakPolarHBondContact CA-O 3.27Å
756	R	87.7	Confident	84.2	Confident	79 Å²	79	65.7 Å²	65.7	30%	0.298	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	152	173.2	72.7	177	-163.5	-161.5	3.2	110.5	D758 R768 A770 M771	R756-D758 WeakPolarHBondContact CD-OD1 3.27Å; R756-D758 IonicContact CZ-OD1 2.75Å; R756-D758 IonicContact CZ-OD2 3.67Å; R756-D758 VanDerWaalsContact CZ-OD2 3.3Å; R756-D758 VanDerWaalsContact NE-CG 3.35Å; R756-D758 IonicContact NE-OD1 2.67Å; R756-D758 PolarHBondContact NE-OD1 3.33Å; R756-D758 IonicContact NE-OD2 3.62Å; R756-D758 PolarHBondContact NE-OD2 2.98Å; R756-D758 IonicContact NH2-OD2 3.99Å; R756-D758 PolarHBondContact NH2-OD2 2.98Å; R756-R768 HydrophobicContact CG-CB 4.4Å; R756-R768 PolarHBondContact N-O 3.13Å; R756-R768 PolarHBondContact O-N 3.44Å; R756-R768 VanDerWaalsContact O-O 3.12Å; R756-A770 HydrophobicContact CB-CB 4.08Å; R756-A770 HydrophobicContact CG-CB 4.37Å; R756-M771 PolarHBondContact NH1-O 3.14Å
757	I	87.5	Confident	84.1	Confident	48 Å²	48	62 Å²	62	25%	0.246	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.4	177.8	-63.4	164.2	0	0	0	107.1	L608 L765 V766 L767	L608-I757 HydrophobicContact CD1-CD1 4.11Å; L608-I757 HydrophobicContact CD2-CD1 3.89Å; L608-I757 HydrophobicContact CD2-CG1 4.08Å; L608-I757 HydrophobicContact CD2-CG2 3.77Å; I757-L765 HydrophobicContact CG2-CB 3.9Å; I757-L765 HydrophobicContact CG2-CD1 4.19Å; I757-L765 HydrophobicContact CG2-CD2 4.09Å; I757-L765 HydrophobicContact CG2-CG 4.29Å; I757-V766 WeakPolarHBondContact CA-O 3.16Å; I757-L767 HydrophobicContact CG1-CD1 3.84Å
758	D	82.7	Confident	84.1	Confident	39 Å²	39	62.8 Å²	62.8	21%	0.209	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	129	-178.9	-66.2	-16.7	0	0	0	109	R756 V766 R768	R756-D758 WeakPolarHBondContact CD-OD1 3.27Å; R756-D758 IonicContact CZ-OD1 2.75Å; R756-D758 IonicContact CZ-OD2 3.67Å; R756-D758 VanDerWaalsContact CZ-OD2 3.3Å; R756-D758 VanDerWaalsContact NE-CG 3.35Å; R756-D758 IonicContact NE-OD1 2.67Å; R756-D758 PolarHBondContact NE-OD1 3.33Å; R756-D758 IonicContact NE-OD2 3.62Å; R756-D758 PolarHBondContact NE-OD2 2.98Å; R756-D758 IonicContact NH2-OD2 3.99Å; R756-D758 PolarHBondContact NH2-OD2 2.98Å; D758-V766 PolarHBondContact N-O 3.46Å; D758-V766 PolarHBondContact O-N 3.09Å; D758-R768 WeakPolarHBondContact OD2-CD 3.22Å; D758-R768 IonicContact OD2-NE 3.68Å
759	E	80.3	Confident	84.1	Confident	103 Å²	103	60.6 Å²	60.6	48%	0.481	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	110.5	170.9	-173	175.2	-176.7	0	0	109.3	R761 P762 L765	E759-R761 VanDerWaalsContact CG-O 3.31Å; E759-R761 WeakPolarHBondContact CG-O 3.32Å; E759-P762 WeakPolarHBondContact OE1-CA 3.32Å; E759-L765 HydrophobicContact CB-CD2 4.03Å; E759-L765 HydrophobicContact CG-CD2 4.27Å
760	I	76	Confident	84.1	Confident	60 Å²	60	58.4 Å²	58.4	31%	0.308	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-33	-178.8	-55.2	180	0	0	0	110.4	Y764 V766	I760-Y764 PolarHBondContact N-O 3.04Å; I760-V766 HydrophobicContact CD1-CB 3.89Å; I760-V766 HydrophobicContact CD1-CG1 4.46Å; I760-V766 HydrophobicContact CD1-CG2 3.36Å; I760-V766 HydrophobicContact CG1-CB 4.41Å; I760-V766 HydrophobicContact CG1-CG2 4.05Å
761	R	75.4	Confident	83.9	Confident	180 Å²	180	52.6 Å²	52.6	68%	0.679	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.5	157	178.7	-56	-179.5	-163.7	173.9	5	108.6	E759 G763 Y764	E759-R761 VanDerWaalsContact CG-O 3.31Å; E759-R761 WeakPolarHBondContact CG-O 3.32Å; R761-G763 PolarHBondContact O-N 3.19Å; R761-G763 VanDerWaalsContact O-N 3.13Å; R761-Y764 PolarHBondContact O-N 3.44Å
762	P	73.7	Confident	83.7	Confident	104 Å²	104	58.1 Å²	58.1	68%	0.675	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	120.9	173.8	-24.6	33.8	0	0	0	110.7	W595 E759 Y764	W595-P762 HydrophobicContact CH2-CB 3.81Å; W595-P762 HydrophobicContact CZ3-CB 4.19Å; E759-P762 WeakPolarHBondContact OE1-CA 3.32Å; P762-Y764 VanDerWaalsContact C-N 3.33Å; P762-Y764 PolarHBondContact O-N 2.85Å
763	G	74.6	Confident	82.9	Confident	22 Å²	22	59.2 Å²	59.2	23%	0.227	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	12.2	-180	0	0	0	0	0	115.4	L606 R761	L606-G763 VanDerWaalsContact CD2-O 3.29Å; L606-G763 WeakPolarHBondContact CD2-O 3.41Å; R761-G763 PolarHBondContact O-N 3.19Å; R761-G763 VanDerWaalsContact O-N 3.13Å
764	Y	81.3	Confident	82.6	Confident	72 Å²	72	65.1 Å²	65.1	28%	0.282	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	104.1	177.5	-167.2	-92.7	0	0	0	111.8	H609 I760 R761 P762 V766	H609-Y764 HydrophobicContact CB-CE1 4.2Å; H609-Y764 HydrophobicContact CB-CE2 4.18Å; H609-Y764 WeakPolarHBondContact CB-OH 3.44Å; H609-Y764 AromaticContact CD2-CD2 3.6Å; H609-Y764 AromaticContact CD2-CE2 3.18Å; H609-Y764 WeakPolarHBondContact CD2-CE2 3.3Å; H609-Y764 AromaticContact CD2-CZ 3.61Å; H609-Y764 AromaticContact CE1-CE2 3.94Å; H609-Y764 AromaticContact CG-CE2 3.53Å; H609-Y764 AromaticContact CG-CZ 3.54Å; H609-Y764 AromaticContact ND1-CE2 3.98Å; H609-Y764 AromaticContact NE2-CD2 3.82Å; H609-Y764 AromaticContact NE2-CE2 3.44Å; H609-Y764 WeakPolarHBondContact NE2-CE2 3.41Å; I760-Y764 PolarHBondContact N-O 3.04Å; R761-Y764 PolarHBondContact O-N 3.44Å; P762-Y764 VanDerWaalsContact C-N 3.33Å; P762-Y764 PolarHBondContact O-N 2.85Å; Y764-V766 HydrophobicContact CD1-CG2 3.83Å; Y764-V766 HydrophobicContact CE1-CG2 3.37Å
765	L	86	Confident	82.3	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	135.4	-178.8	-59.8	178.5	0	0	0	111.5	Q593 L606 L608 H609 I757 E759	Q593-L765 HydrophobicContact CB-CD1 3.85Å; Q593-L765 HydrophobicContact CG-CD1 3.9Å; L606-L765 HydrophobicContact CB-CD1 3.59Å; L606-L765 HydrophobicContact CB-CG 4.1Å; L606-L765 HydrophobicContact CD1-CD1 3.88Å; L606-L765 HydrophobicContact CD1-CD2 4.44Å; L606-L765 HydrophobicContact CD1-CG 3.86Å; L606-L765 HydrophobicContact CG-CD1 4.39Å; L608-L765 HydrophobicContact CD2-CB 3.82Å; L608-L765 HydrophobicContact CD2-CD1 3.94Å; H609-L765 PolarHBondContact N-O 3.47Å; I757-L765 HydrophobicContact CG2-CB 3.9Å; I757-L765 HydrophobicContact CG2-CD1 4.19Å; I757-L765 HydrophobicContact CG2-CD2 4.09Å; I757-L765 HydrophobicContact CG2-CG 4.29Å; E759-L765 HydrophobicContact CB-CD2 4.03Å; E759-L765 HydrophobicContact CG-CD2 4.27Å
766	V	86.8	Confident	82	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.7	175.3	179.1	0	0	0	0	111.3	H609 I757 D758 I760 Y764 R768	H609-V766 HydrophobicContact CB-CG2 4.42Å; H609-V766 VanDerWaalsContact O-CA 3.27Å; H609-V766 WeakPolarHBondContact O-CA 3.28Å; I757-V766 WeakPolarHBondContact CA-O 3.16Å; D758-V766 PolarHBondContact N-O 3.46Å; D758-V766 PolarHBondContact O-N 3.09Å; I760-V766 HydrophobicContact CD1-CB 3.89Å; I760-V766 HydrophobicContact CD1-CG1 4.46Å; I760-V766 HydrophobicContact CD1-CG2 3.36Å; I760-V766 HydrophobicContact CG1-CB 4.41Å; I760-V766 HydrophobicContact CG1-CG2 4.05Å; Y764-V766 HydrophobicContact CD1-CG2 3.83Å; Y764-V766 HydrophobicContact CE1-CG2 3.37Å; V766-R768 HydrophobicContact CG1-CG 3.97Å
767	L	89.3	Confident	81.8	Confident	17 Å²	17	58 Å²	58	9%	0.089	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	122.8	174.2	-173.3	66.1	0	0	0	110.1	H609 R676 P677 I757	H609-L767 PolarHBondContact O-N 3Å; R676-L767 HydrophobicContact CG-CD2 4.48Å; P677-L767 HydrophobicContact CB-CD2 4.35Å; P677-L767 HydrophobicContact CB-CG 4.16Å; P677-L767 HydrophobicContact CG-CG 4.4Å; I757-L767 HydrophobicContact CG1-CD1 3.84Å
768	R	87	Confident	81.8	Confident	41 Å²	41	61.4 Å²	61.4	16%	0.155	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	163.1	178.9	-57.4	-168.3	-170.5	-171.4	5	111.3	T755 R756 D758 V766	T755-R768 CarbonylContact C-O 3.56Å; T755-R768 WeakPolarHBondContact CA-O 3.27Å; R756-R768 HydrophobicContact CG-CB 4.4Å; R756-R768 PolarHBondContact N-O 3.13Å; R756-R768 PolarHBondContact O-N 3.44Å; R756-R768 VanDerWaalsContact O-O 3.12Å; D758-R768 WeakPolarHBondContact OD2-CD 3.22Å; D758-R768 IonicContact OD2-NE 3.68Å; V766-R768 HydrophobicContact CG1-CG 3.97Å
769	C	89.4	Confident	81.9	Confident	13 Å²	13	60.6 Å²	60.6	9%	0.088	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	131.5	165.6	-65.2	0	0	0	0	109.8	C682 Q685 M771	C682-C769 WeakPolarHBondContact CA-SG 3.21Å; C682-C769 HydrophobicContact CB-CB 3.76Å; C682-C769 WeakPolarHBondContact CB-SG 3.22Å; C682-C769 WeakPolarHBondContact SG-CA 3.4Å; C682-C769 WeakPolarHBondContact SG-CB 3.46Å; C682-C769 CovalentContact SG-SG 2.03Å; C682-C769 PolarHBondContact SG-SG 3.14Å; Q685-C769 PolarHBondContact OE1-SG 3.21Å; Q685-C769 VanDerWaalsContact OE1-SG 3.4Å; C769-M771 HydrophobicContact CB-CG 4.47Å; C769-M771 PolarHBondContact O-N 3.27Å
770	A	87.1	Confident	82.3	Confident	25 Å²	25	56 Å²	56	21%	0.207	28%	0.279	C	S	.	.			trans	-66	103.1	175.9	0	0	0	0	0	108.9	R686 D754 R756	R686-A770 PolarHBondContact NH2-O 2.85Å; D754-A770 HydrophobicContact CB-CB 3.94Å; D754-A770 WeakPolarHBondContact O-CB 3.23Å; D754-A770 PolarHBondContact O-N 2.85Å; R756-A770 HydrophobicContact CB-CB 4.08Å; R756-A770 HydrophobicContact CG-CB 4.37Å
771	M	81.5	Confident	83.1	Confident	41 Å²	41	55.2 Å²	55.2	20%	0.202	28%	0.282	C	S	.	.			trans	-136.4	132.6	174.5	-63.9	-167.9	-65.3	0	0	108.5	R686 R756 C769 F776	R686-M771 HydrophobicContact CG-SD 4.47Å; R756-M771 PolarHBondContact NH1-O 3.14Å; C769-M771 HydrophobicContact CB-CG 4.47Å; C769-M771 PolarHBondContact O-N 3.27Å; M771-F776 HydrophobicContact CE-CB 4.3Å; M771-F776 HydrophobicContact CE-CD2 4.22Å; M771-F776 HydrophobicContact CE-CG 4.41Å; M771-F776 HydrophobicContact SD-CB 4.2Å; M771-F776 HydrophobicContact SD-CD2 4.12Å
772	K	80.6	Confident	84	Confident	137 Å²	137	48 Å²	48	60%	0.596	26%	0.255	S	S	*	.			trans	-64.5	140.3	169.3	-66.8	168.1	-179.9	153.7	0	108.7	D751 K774 S775	D751-K772 VanDerWaalsContact OD1-CE 3.31Å; D751-K772 WeakPolarHBondContact OD1-CE 3.37Å; D751-K772 IonicContact OD1-NZ 2.74Å; D751-K772 PolarHBondContact OD1-NZ 3.43Å; K772-K774 PolarHBondContact O-N 3.39Å; K772-S775 VanDerWaalsContact O-CB 3.25Å; K772-S775 WeakPolarHBondContact O-CB 3.44Å; K772-S775 PolarHBondContact O-N 3.19Å
773	D	69.4	Low	85	Confident	109 Å²	109	43 Å²	43	58%	0.583	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	-31	-165.1	-59	-30.9	0	0	0	115.1
774	K	79.8	Confident	85.8	Confident	154 Å²	154	44 Å²	44	67%	0.67	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-17.1	179.9	-59.5	-179.7	-175.5	176.8	0	113.9	K772 F776 L777 I778	K772-K774 PolarHBondContact O-N 3.39Å; K774-F776 VanDerWaalsContact C-N 3.34Å; K774-F776 PolarHBondContact O-N 3.44Å; K774-L777 PolarHBondContact O-N 2.96Å; K774-I778 HydrophobicContact CB-CD1 4.33Å; K774-I778 WeakPolarHBondContact O-CG1 3.35Å; K774-I778 PolarHBondContact O-N 2.55Å; K774-I778 VanDerWaalsContact O-N 3.15Å
775	S	83.2	Confident	86.5	Confident	16 Å²	16	45.3 Å²	45.3	11%	0.112	23%	0.232	C	C	.	.	H	α-helix	trans	-62.7	-40.5	-170.2	-163	0	0	0	0	111.7	W747 D751 K772 L777 I778 S779	W747-S775 WeakPolarHBondContact CZ2-O 3.44Å; W747-S775 PolarHBondContact NE1-OG 3.27Å; D751-S775 PolarHBondContact OD2-OG 2.99Å; K772-S775 VanDerWaalsContact O-CB 3.25Å; K772-S775 WeakPolarHBondContact O-CB 3.44Å; K772-S775 PolarHBondContact O-N 3.19Å; S775-L777 PolarHBondContact O-N 3.31Å; S775-I778 PolarHBondContact O-N 2.81Å; S775-S779 PolarHBondContact O-N 3.23Å
776	F	83.3	Confident	86.9	Confident	11 Å²	11	45.5 Å²	45.5	5%	0.048	23%	0.233	C	C	.	.	H	α-helix	trans	-59.6	-45.8	176.1	177.9	-104.7	0	0	0	113.3	I689 W747 M771 K774 S779 L780 F824 Y828 L842	I689-F776 HydrophobicContact CD1-CE2 3.87Å; I689-F776 HydrophobicContact CD1-CZ 4.2Å; W747-F776 HydrophobicContact CH2-CD2 4.38Å; M771-F776 HydrophobicContact CE-CB 4.3Å; M771-F776 HydrophobicContact CE-CD2 4.22Å; M771-F776 HydrophobicContact CE-CG 4.41Å; M771-F776 HydrophobicContact SD-CB 4.2Å; M771-F776 HydrophobicContact SD-CD2 4.12Å; K774-F776 VanDerWaalsContact C-N 3.34Å; K774-F776 PolarHBondContact O-N 3.44Å; F776-S779 WeakPolarHBondContact O-CB 3.24Å; F776-S779 PolarHBondContact O-N 3.44Å; F776-L780 HydrophobicContact CD1-CD1 4.37Å; F776-L780 HydrophobicContact CE1-CD1 3.69Å; F776-L780 HydrophobicContact CZ-CD1 3.82Å; F776-L780 PolarHBondContact O-N 3.11Å; F776-F824 HydrophobicContact CE1-CZ 4.47Å; F776-Y828 HydrophobicContact CD1-CE1 4.17Å; F776-Y828 AromaticContact CD1-CE2 3.93Å; F776-Y828 HydrophobicContact CD1-CE2 3.93Å; F776-Y828 AromaticContact CD1-CZ 3.53Å; F776-Y828 VanDerWaalsContact CD1-OH 3.28Å; F776-Y828 WeakPolarHBondContact CD1-OH 3.4Å; F776-Y828 HydrophobicContact CE1-CD2 4.46Å; F776-Y828 AromaticContact CE1-CE2 3.77Å; F776-Y828 HydrophobicContact CE1-CE2 3.77Å; F776-Y828 AromaticContact CE1-CZ 3.89Å; F776-L842 HydrophobicContact CE1-CD1 4.24Å; F776-L842 HydrophobicContact CE1-CD2 4.26Å; F776-L842 HydrophobicContact CE2-CD2 4.32Å; F776-L842 HydrophobicContact CZ-CD1 3.82Å; F776-L842 HydrophobicContact CZ-CD2 3.62Å; F776-L842 HydrophobicContact CZ-CG 4.4Å
777	L	83.2	Confident	87.3	Confident	24 Å²	24	45.6 Å²	45.6	13%	0.126	23%	0.234	C	C	.	.	H	α-helix	trans	-71.3	-33.2	-177.9	-67.7	172.4	0	0	0	112.4	K774 S775 S779 L780 A781 L825 Y828 Y829	K774-L777 PolarHBondContact O-N 2.96Å; S775-L777 PolarHBondContact O-N 3.31Å; L777-S779 VanDerWaalsContact C-N 3.27Å; L777-S779 PolarHBondContact O-N 3.09Å; L777-L780 PolarHBondContact O-N 2.99Å; L777-L780 VanDerWaalsContact O-N 3.15Å; L777-A781 PolarHBondContact O-N 3.34Å; L777-L825 HydrophobicContact CD2-CD2 4.09Å; L777-Y828 HydrophobicContact CD1-CD1 4.14Å; L777-Y828 HydrophobicContact CD1-CE1 4.12Å; L777-Y828 HydrophobicContact CD2-CD1 3.93Å; L777-Y828 HydrophobicContact CD2-CE1 4.06Å; L777-Y828 HydrophobicContact CG-CD1 4.3Å; L777-Y828 HydrophobicContact CG-CE1 4.07Å; L777-Y829 HydrophobicContact CD1-CD2 4.48Å; L777-Y829 HydrophobicContact CD1-CE1 3.82Å; L777-Y829 HydrophobicContact CD1-CE2 3.53Å; L777-Y829 WeakPolarHBondContact CD1-OH 3.34Å
778	I	86.3	Confident	87.6	Confident	120 Å²	120	49.9 Å²	49.9	62%	0.615	26%	0.256	S	S	*	.	H	α-helix	trans	-60.7	-39.8	173.7	-67.2	165.3	0	0	0	110.4	K774 S775 L780 A781	K774-I778 HydrophobicContact CB-CD1 4.33Å; K774-I778 WeakPolarHBondContact O-CG1 3.35Å; K774-I778 PolarHBondContact O-N 2.55Å; K774-I778 VanDerWaalsContact O-N 3.15Å; S775-I778 PolarHBondContact O-N 2.81Å; I778-L780 PolarHBondContact O-N 3.17Å; I778-A781 WeakPolarHBondContact O-CB 3.34Å; I778-A781 PolarHBondContact O-N 2.96Å; I778-A781 VanDerWaalsContact O-N 3.1Å
779	S	85.9	Confident	88	Confident	22 Å²	22	50.6 Å²	50.6	15%	0.154	26%	0.264	C	S	.	.	H	α-helix	trans	-63	-28.5	176.8	-174.5	0	0	0	0	113.8	W747 S775 F776 L777 A781	W747-S779 VanDerWaalsContact CE3-CB 3.44Å; W747-S779 WeakPolarHBondContact CZ3-OG 3.47Å; S775-S779 PolarHBondContact O-N 3.23Å; F776-S779 WeakPolarHBondContact O-CB 3.24Å; F776-S779 PolarHBondContact O-N 3.44Å; L777-S779 VanDerWaalsContact C-N 3.27Å; L777-S779 PolarHBondContact O-N 3.09Å; S779-A781 VanDerWaalsContact C-N 3.35Å
780	L	89.2	Confident	88.3	Confident	6 Å²	6	50 Å²	50	3%	0.031	26%	0.26	C	S	.	.	H	α-helix	trans	-82.9	-10	177.2	-59.9	179.5	0	0	0	113.4	I689 F776 L777 I778 Y782 N783 M784 W821 F824	I689-L780 HydrophobicContact CG2-CD2 3.75Å; F776-L780 HydrophobicContact CD1-CD1 4.37Å; F776-L780 HydrophobicContact CE1-CD1 3.69Å; F776-L780 HydrophobicContact CZ-CD1 3.82Å; F776-L780 PolarHBondContact O-N 3.11Å; L777-L780 PolarHBondContact O-N 2.99Å; L777-L780 VanDerWaalsContact O-N 3.15Å; I778-L780 PolarHBondContact O-N 3.17Å; L780-Y782 VanDerWaalsContact C-N 3.34Å; L780-Y782 PolarHBondContact O-N 3.3Å; L780-N783 WeakPolarHBondContact O-CB 3.44Å; L780-N783 PolarHBondContact O-N 2.03Å; L780-N783 VanDerWaalsContact O-N 3.11Å; L780-M784 PolarHBondContact O-N 3.35Å; L780-W821 HydrophobicContact CD1-CH2 4.07Å; L780-W821 HydrophobicContact CD1-CZ3 4Å; L780-W821 HydrophobicContact CD2-CH2 4.4Å; L780-F824 HydrophobicContact CD1-CE1 4.26Å
781	A	91.7	Very high	88.6	Confident	45 Å²	45	49.8 Å²	49.8	37%	0.372	26%	0.257	S	S	.	.	H	α-helix	trans	-60.2	-40.6	-176.6	0	0	0	0	0	112.9	L777 I778 S779 N783 M784 I785	L777-A781 PolarHBondContact O-N 3.34Å; I778-A781 WeakPolarHBondContact O-CB 3.34Å; I778-A781 PolarHBondContact O-N 2.96Å; I778-A781 VanDerWaalsContact O-N 3.1Å; S779-A781 VanDerWaalsContact C-N 3.35Å; A781-N783 VanDerWaalsContact C-N 3.33Å; A781-N783 PolarHBondContact O-N 3.29Å; A781-M784 WeakPolarHBondContact O-CB 3.31Å; A781-M784 PolarHBondContact O-N 2.88Å; A781-I785 WeakPolarHBondContact O-CG1 3.48Å; A781-I785 PolarHBondContact O-N 3.08Å
782	Y	95.2	Very high	89.2	Confident	28 Å²	28	50.7 Å²	50.7	11%	0.11	27%	0.27	C	S	.	.	H	α-helix	trans	-62.2	-41.1	175.8	176	-106.3	0	0	0	112.1	L736 L739 Q740 L743 L780 M784 I785 L786	L736-Y782 PolarHBondContact O-OH 3.2Å; L739-Y782 HydrophobicContact CD2-CD2 4.27Å; L739-Y782 HydrophobicContact CD2-CE2 3.47Å; L739-Y782 VanDerWaalsContact CD2-CE2 3.47Å; L739-Y782 HydrophobicContact CG-CE2 4Å; Q740-Y782 HydrophobicContact CB-CD1 4Å; Q740-Y782 HydrophobicContact CB-CE1 3.89Å; Q740-Y782 VanDerWaalsContact OE1-CD1 3.24Å; L743-Y782 HydrophobicContact CD1-CD1 4.41Å; L743-Y782 HydrophobicContact CD1-CD2 4.14Å; L743-Y782 HydrophobicContact CD1-CG 3.83Å; L780-Y782 VanDerWaalsContact C-N 3.34Å; L780-Y782 PolarHBondContact O-N 3.3Å; Y782-M784 VanDerWaalsContact C-N 3.31Å; Y782-M784 PolarHBondContact O-N 3.17Å; Y782-I785 PolarHBondContact O-N 3.37Å; Y782-L786 HydrophobicContact CD1-CD1 3.98Å; Y782-L786 HydrophobicContact CD1-CG 4.35Å; Y782-L786 HydrophobicContact CE1-CD1 3.32Å; Y782-L786 HydrophobicContact CE1-CG 3.83Å; Y782-L786 HydrophobicContact CE2-CD2 4.5Å; Y782-L786 HydrophobicContact CE2-CG 4.23Å; Y782-L786 PolarHBondContact O-N 3.06Å
783	N	93.7	Very high	89.8	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.8	-38.9	176.2	-68.3	-70.1	0	0	0	111.5	G690 F693 A694 Q740 L780 A781 L786 I787	G690-N783 PolarHBondContact O-OD1 3Å; F693-N783 HydrophobicContact CB-CB 4.15Å; F693-N783 VanDerWaalsContact CB-OD1 3.29Å; F693-N783 WeakPolarHBondContact CB-OD1 3.32Å; A694-N783 PolarHBondContact N-OD1 3.36Å; Q740-N783 PolarHBondContact OE1-ND2 3.49Å; L780-N783 WeakPolarHBondContact O-CB 3.44Å; L780-N783 PolarHBondContact O-N 2.03Å; L780-N783 VanDerWaalsContact O-N 3.11Å; A781-N783 VanDerWaalsContact C-N 3.33Å; A781-N783 PolarHBondContact O-N 3.29Å; N783-L786 WeakPolarHBondContact O-CB 3.49Å; N783-L786 PolarHBondContact O-N 3.39Å; N783-I787 VanDerWaalsContact O-CG1 3.26Å; N783-I787 WeakPolarHBondContact O-CG1 3.35Å; N783-I787 PolarHBondContact O-N 3.25Å
784	M	92.7	Very high	90.8	Very high	43 Å²	43	42.3 Å²	42.3	21%	0.212	23%	0.228	C	C	.	.	H	α-helix	trans	-63.1	-41.7	173.5	-67.7	-56.9	-66.5	0	0	112.1	L780 A781 Y782 I787 I788 W821 L825	L780-M784 PolarHBondContact O-N 3.35Å; A781-M784 WeakPolarHBondContact O-CB 3.31Å; A781-M784 PolarHBondContact O-N 2.88Å; Y782-M784 VanDerWaalsContact C-N 3.31Å; Y782-M784 PolarHBondContact O-N 3.17Å; M784-I787 PolarHBondContact O-N 3.41Å; M784-I787 HydrophobicContact SD-CD1 4.31Å; M784-I788 WeakPolarHBondContact O-CB 3.35Å; M784-I788 VanDerWaalsContact O-CG1 3.24Å; M784-I788 WeakPolarHBondContact O-CG1 3.26Å; M784-I788 PolarHBondContact O-N 2.86Å; M784-W821 HydrophobicContact CE-CB 4.04Å; M784-W821 HydrophobicContact CE-CG 4.46Å; M784-W821 HydrophobicContact SD-CB 4.14Å; M784-W821 HydrophobicContact SD-CD2 3.61Å; M784-W821 HydrophobicContact SD-CE3 3.44Å; M784-W821 HydrophobicContact SD-CG 3.95Å; M784-W821 HydrophobicContact SD-CZ3 4.02Å; M784-L825 HydrophobicContact CE-CD1 4.47Å
785	I	95	Very high	91.3	Very high	98 Å²	98	37.5 Å²	37.5	50%	0.503	21%	0.211	S	C	.	.	H	α-helix	trans	-61.5	-45.8	174.4	-66.5	165.8	0	0	0	110.4	A781 Y782 I787 I788 V789	A781-I785 WeakPolarHBondContact O-CG1 3.48Å; A781-I785 PolarHBondContact O-N 3.08Å; Y782-I785 PolarHBondContact O-N 3.37Å; I785-I787 VanDerWaalsContact C-N 3.33Å; I785-I787 PolarHBondContact O-N 3.2Å; I785-I788 PolarHBondContact O-N 2.92Å; I785-V789 HydrophobicContact CG2-CG2 4.2Å; I785-V789 WeakPolarHBondContact O-CB 3.32Å; I785-V789 VanDerWaalsContact O-CG2 3.27Å; I785-V789 WeakPolarHBondContact O-CG2 3.18Å; I785-V789 PolarHBondContact O-N 2.66Å
786	L	95.6	Very high	91.5	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-57.9	-44.3	175.5	-79.1	-179.3	0	0	0	111.9	A694 L701 L736 Y782 N783 C790	A694-L786 HydrophobicContact CB-CD1 4.37Å; L701-L786 HydrophobicContact CD2-CD2 4.1Å; L736-L786 HydrophobicContact CD2-CD2 4.44Å; Y782-L786 HydrophobicContact CD1-CD1 3.98Å; Y782-L786 HydrophobicContact CD1-CG 4.35Å; Y782-L786 HydrophobicContact CE1-CD1 3.32Å; Y782-L786 HydrophobicContact CE1-CG 3.83Å; Y782-L786 HydrophobicContact CE2-CD2 4.5Å; Y782-L786 HydrophobicContact CE2-CG 4.23Å; Y782-L786 PolarHBondContact O-N 3.06Å; N783-L786 WeakPolarHBondContact O-CB 3.49Å; N783-L786 PolarHBondContact O-N 3.39Å; L786-C790 WeakPolarHBondContact O-CB 3.35Å; L786-C790 PolarHBondContact O-N 3.35Å
787	I	94.9	Very high	91.6	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-45.2	177.9	-69.9	164.7	0	0	0	110.9	Y697 N783 M784 I785 C790 T791 M814 T817 W821	Y697-I787 HydrophobicContact CD1-CG1 4.18Å; Y697-I787 HydrophobicContact CD2-CD1 3.99Å; Y697-I787 HydrophobicContact CD2-CG1 3.52Å; Y697-I787 HydrophobicContact CE1-CG1 4.26Å; Y697-I787 HydrophobicContact CE2-CD1 3.65Å; Y697-I787 HydrophobicContact CE2-CG1 3.59Å; Y697-I787 HydrophobicContact CG-CG1 3.85Å; N783-I787 VanDerWaalsContact O-CG1 3.26Å; N783-I787 WeakPolarHBondContact O-CG1 3.35Å; N783-I787 PolarHBondContact O-N 3.25Å; M784-I787 PolarHBondContact O-N 3.41Å; M784-I787 HydrophobicContact SD-CD1 4.31Å; I785-I787 VanDerWaalsContact C-N 3.33Å; I785-I787 PolarHBondContact O-N 3.2Å; I787-C790 PolarHBondContact O-N 2.79Å; I787-T791 WeakPolarHBondContact O-CB 3.14Å; I787-T791 PolarHBondContact O-N 3.1Å; I787-T791 PolarHBondContact O-OG1 3.07Å; I787-M814 HydrophobicContact CB-CE 4.35Å; I787-M814 HydrophobicContact CG2-CE 3.85Å; I787-M814 VanDerWaalsContact O-CE 3.29Å; I787-M814 WeakPolarHBondContact O-CE 3.47Å; I787-T817 HydrophobicContact CD1-CG2 4Å; I787-T817 HydrophobicContact CG1-CG2 4.22Å; I787-T817 HydrophobicContact CG2-CG2 3.91Å; I787-W821 HydrophobicContact CD1-CD2 4.42Å; I787-W821 HydrophobicContact CD1-CG 4.34Å; I787-W821 HydrophobicContact CD1-CZ2 4.37Å
788	I	94.9	Very high	91.7	Very high	106 Å²	106	48.6 Å²	48.6	54%	0.544	25%	0.252	S	S	.	.	H	α-helix	trans	-64	-48.2	179.6	-69.1	164.4	0	0	0	110.6	M784 I785 C790 T791 A792	M784-I788 WeakPolarHBondContact O-CB 3.35Å; M784-I788 VanDerWaalsContact O-CG1 3.24Å; M784-I788 WeakPolarHBondContact O-CG1 3.26Å; M784-I788 PolarHBondContact O-N 2.86Å; I785-I788 PolarHBondContact O-N 2.92Å; I788-C790 VanDerWaalsContact C-N 3.35Å; I788-C790 PolarHBondContact O-N 3.14Å; I788-T791 WeakPolarHBondContact O-CB 3.15Å; I788-T791 PolarHBondContact O-N 3.23Å; I788-A792 PolarHBondContact O-N 2.84Å
789	V	95.8	Very high	91.3	Very high	56 Å²	56	50 Å²	50	34%	0.339	26%	0.256	S	S	.	.	H	α-helix	trans	-63.4	-43.4	178.2	176.3	0	0	0	0	110.2	L701 I785 T791 A792 Y793	L701-V789 HydrophobicContact CD1-CG1 3.83Å; L701-V789 HydrophobicContact CD2-CG1 3.96Å; I785-V789 HydrophobicContact CG2-CG2 4.2Å; I785-V789 WeakPolarHBondContact O-CB 3.32Å; I785-V789 VanDerWaalsContact O-CG2 3.27Å; I785-V789 WeakPolarHBondContact O-CG2 3.18Å; I785-V789 PolarHBondContact O-N 2.66Å; V789-T791 VanDerWaalsContact C-N 3.3Å; V789-T791 PolarHBondContact O-N 3.06Å; V789-A792 PolarHBondContact O-N 3.04Å; V789-Y793 HydrophobicContact CG1-CD2 3.99Å; V789-Y793 HydrophobicContact CG1-CE2 4.03Å; V789-Y793 WeakPolarHBondContact O-CD2 3.48Å; V789-Y793 PolarHBondContact O-N 2.83Å
790	C	95.5	Very high	90.7	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.4	-39.2	175.5	-168.4	0	0	0	0	111.9	L701 L786 I787 I788 Y793 A794 M814	L701-C790 HydrophobicContact CB-CB 4.21Å; L701-C790 HydrophobicContact CD1-CB 4.45Å; L786-C790 WeakPolarHBondContact O-CB 3.35Å; L786-C790 PolarHBondContact O-N 3.35Å; I787-C790 PolarHBondContact O-N 2.79Å; I788-C790 VanDerWaalsContact C-N 3.35Å; I788-C790 PolarHBondContact O-N 3.14Å; C790-Y793 PolarHBondContact O-N 2.98Å; C790-A794 WeakPolarHBondContact O-CB 3.32Å; C790-A794 PolarHBondContact O-N 2.97Å; C790-M814 HydrophobicContact CB-CE 3.67Å; C790-M814 HydrophobicContact CB-SD 4.14Å
791	T	94.4	Very high	89.8	Confident	22 Å²	22	53.5 Å²	53.5	14%	0.135	28%	0.277	C	S	.	.	H	α-helix	trans	-65.5	-41.8	175.1	-56.6	0	0	0	0	111.5	I787 I788 V789 Y793 A794 V795 M814 Y815 C818	I787-T791 WeakPolarHBondContact O-CB 3.14Å; I787-T791 PolarHBondContact O-N 3.1Å; I787-T791 PolarHBondContact O-OG1 3.07Å; I788-T791 WeakPolarHBondContact O-CB 3.15Å; I788-T791 PolarHBondContact O-N 3.23Å; V789-T791 VanDerWaalsContact C-N 3.3Å; V789-T791 PolarHBondContact O-N 3.06Å; T791-Y793 VanDerWaalsContact C-N 3.33Å; T791-Y793 PolarHBondContact O-N 3.41Å; T791-A794 WeakPolarHBondContact O-CB 3.26Å; T791-A794 PolarHBondContact O-N 3.14Å; T791-A794 VanDerWaalsContact O-N 3.14Å; T791-V795 WeakPolarHBondContact O-CG2 3.25Å; T791-V795 PolarHBondContact O-N 3.31Å; T791-M814 HydrophobicContact CG2-CB 4.47Å; T791-M814 WeakPolarHBondContact OG1-CE 3.03Å; T791-Y815 HydrophobicContact CG2-CD1 4.17Å; T791-Y815 HydrophobicContact CG2-CE1 4.11Å; T791-C818 PolarHBondContact OG1-SG 3.33Å; T791-C818 VanDerWaalsContact OG1-SG 3.38Å
792	A	94	Very high	88.1	Confident	59 Å²	59	58.8 Å²	58.8	49%	0.488	29%	0.294	S	S	.	.	H	α-helix	trans	-60.6	-42.4	175.1	0	0	0	0	0	111.6	I788 V789 V795 K796	I788-A792 PolarHBondContact O-N 2.84Å; V789-A792 PolarHBondContact O-N 3.04Å; A792-V795 PolarHBondContact O-N 2.81Å; A792-K796 WeakPolarHBondContact O-CB 3.47Å; A792-K796 PolarHBondContact O-N 2.98Å
793	Y	92.3	Very high	86.3	Confident	69 Å²	69	64 Å²	64	27%	0.271	32%	0.324	S	S	.	.	H	α-helix	trans	-68.9	-34.2	173.4	-85.9	-85.2	0	0	0	112.9	L701 T704 N705 A708 V789 C790 T791 K796 T797	L701-Y793 HydrophobicContact CD1-CD2 3.56Å; L701-Y793 HydrophobicContact CD1-CE2 4.12Å; L701-Y793 HydrophobicContact CD1-CG 4.11Å; T704-Y793 WeakPolarHBondContact OG1-CB 3.33Å; N705-Y793 HydrophobicContact CB-CD1 4.29Å; N705-Y793 HydrophobicContact CB-CE1 4.1Å; N705-Y793 WeakPolarHBondContact ND2-CE1 3.3Å; N705-Y793 PolarHBondContact ND2-OH 2.95Å; A708-Y793 HydrophobicContact CB-CD1 4.05Å; A708-Y793 HydrophobicContact CB-CE1 4.29Å; V789-Y793 HydrophobicContact CG1-CD2 3.99Å; V789-Y793 HydrophobicContact CG1-CE2 4.03Å; V789-Y793 WeakPolarHBondContact O-CD2 3.48Å; V789-Y793 PolarHBondContact O-N 2.83Å; C790-Y793 PolarHBondContact O-N 2.98Å; T791-Y793 VanDerWaalsContact C-N 3.33Å; T791-Y793 PolarHBondContact O-N 3.41Å; Y793-K796 PolarHBondContact O-N 3.07Å; Y793-T797 WeakPolarHBondContact O-CB 3.34Å; Y793-T797 WeakPolarHBondContact O-CG2 3.48Å; Y793-T797 PolarHBondContact O-N 2.75Å; Y793-T797 PolarHBondContact O-OG1 3.32Å
794	A	90.1	Very high	84.7	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.008	34%	0.344	C	S	.	.	H	α-helix	trans	-63.6	-43	173.1	0	0	0	0	0	111.4	C790 T791 T797 R798 I810 M814	C790-A794 WeakPolarHBondContact O-CB 3.32Å; C790-A794 PolarHBondContact O-N 2.97Å; T791-A794 WeakPolarHBondContact O-CB 3.26Å; T791-A794 PolarHBondContact O-N 3.14Å; T791-A794 VanDerWaalsContact O-N 3.14Å; A794-T797 WeakPolarHBondContact CA-OG1 3.42Å; A794-T797 PolarHBondContact O-N 2.77Å; A794-T797 PolarHBondContact O-OG1 3.45Å; A794-R798 PolarHBondContact O-N 3.05Å; A794-I810 HydrophobicContact CB-CG2 4.14Å; A794-M814 HydrophobicContact CB-CB 4.21Å; A794-M814 HydrophobicContact CB-CG 3.98Å
795	V	90.8	Very high	83.5	Confident	54 Å²	54	71.2 Å²	71.2	33%	0.327	36%	0.359	S	S	.	.	H	α-helix	trans	-64.1	-43.5	173.2	174.6	0	0	0	0	110.8	T791 A792 T797 R798 Y815	T791-V795 WeakPolarHBondContact O-CG2 3.25Å; T791-V795 PolarHBondContact O-N 3.31Å; A792-V795 PolarHBondContact O-N 2.81Å; V795-T797 VanDerWaalsContact C-N 3.26Å; V795-T797 PolarHBondContact O-N 3.15Å; V795-R798 VanDerWaalsContact O-CB 3.3Å; V795-R798 WeakPolarHBondContact O-CB 3.46Å; V795-R798 VanDerWaalsContact O-CD 3.29Å; V795-R798 WeakPolarHBondContact O-CD 3.49Å; V795-R798 WeakPolarHBondContact O-CG 3.36Å; V795-R798 PolarHBondContact O-N 3.32Å; V795-R798 VanDerWaalsContact O-N 3.16Å; V795-Y815 HydrophobicContact CG2-CE1 3.87Å; V795-Y815 WeakPolarHBondContact CG2-OH 3.42Å
796	K	88.1	Confident	82.7	Confident	107 Å²	107	68 Å²	68	47%	0.465	34%	0.341	S	S	.	.	H	α-helix	trans	-60.4	-37.2	177.4	-173.5	176.8	174.4	-176.5	0	112	D712 A792 Y793 R798	D712-K796 VanDerWaalsContact OD2-CE 3.28Å; D712-K796 WeakPolarHBondContact OD2-CE 3.47Å; D712-K796 IonicContact OD2-NZ 3.61Å; D712-K796 PolarHBondContact OD2-NZ 2.94Å; A792-K796 WeakPolarHBondContact O-CB 3.47Å; A792-K796 PolarHBondContact O-N 2.98Å; Y793-K796 PolarHBondContact O-N 3.07Å; K796-R798 VanDerWaalsContact C-N 3.28Å; K796-R798 PolarHBondContact O-N 2.9Å
797	T	85.2	Confident	82.1	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.006	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-80.2	-2.3	-179.9	51	0	0	0	0	114.2	I707 A708 Y793 A794 V795 Q799 I800	I707-T797 HydrophobicContact CB-CG2 4.34Å; I707-T797 HydrophobicContact CG2-CG2 3.91Å; A708-T797 HydrophobicContact CB-CG2 3.94Å; Y793-T797 WeakPolarHBondContact O-CB 3.34Å; Y793-T797 WeakPolarHBondContact O-CG2 3.48Å; Y793-T797 PolarHBondContact O-N 2.75Å; Y793-T797 PolarHBondContact O-OG1 3.32Å; A794-T797 WeakPolarHBondContact CA-OG1 3.42Å; A794-T797 PolarHBondContact O-N 2.77Å; A794-T797 PolarHBondContact O-OG1 3.45Å; V795-T797 VanDerWaalsContact C-N 3.26Å; V795-T797 PolarHBondContact O-N 3.15Å; T797-Q799 VanDerWaalsContact C-N 3.29Å; T797-Q799 PolarHBondContact O-N 3.19Å; T797-I800 HydrophobicContact CG2-CD1 3.94Å; T797-I800 WeakPolarHBondContact O-CB 3.41Å; T797-I800 WeakPolarHBondContact O-CD1 3.28Å; T797-I800 VanDerWaalsContact O-CG1 3.3Å; T797-I800 WeakPolarHBondContact O-CG1 3.17Å; T797-I800 PolarHBondContact O-N 2.68Å
798	R	84.4	Confident	81.7	Confident	175 Å²	175	73.9 Å²	73.9	66%	0.66	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-66.5	-25.2	178.4	85.1	-169.9	172.5	155.1	-1.3	114.6	A794 V795 K796 I800	A794-R798 PolarHBondContact O-N 3.05Å; V795-R798 VanDerWaalsContact O-CB 3.3Å; V795-R798 WeakPolarHBondContact O-CB 3.46Å; V795-R798 VanDerWaalsContact O-CD 3.29Å; V795-R798 WeakPolarHBondContact O-CD 3.49Å; V795-R798 WeakPolarHBondContact O-CG 3.36Å; V795-R798 PolarHBondContact O-N 3.32Å; V795-R798 VanDerWaalsContact O-N 3.16Å; K796-R798 VanDerWaalsContact C-N 3.28Å; K796-R798 PolarHBondContact O-N 2.9Å; R798-I800 PolarHBondContact O-N 2.89Å
799	Q	77.3	Confident	81.5	Confident	150 Å²	150	72.3 Å²	72.3	70%	0.701	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-78.4	-3.7	-179.2	-66.4	-177.8	-4.6	0	0	112.9	T797	T797-Q799 VanDerWaalsContact C-N 3.29Å; T797-Q799 PolarHBondContact O-N 3.19Å
800	I	75.1	Confident	81.3	Confident	21 Å²	21	69.7 Å²	69.7	11%	0.108	34%	0.341	C	S	.	.	S	Bend	trans	-70.8	132.6	178.8	-65.5	170.2	0	0	0	108.5	I707 F711 T797 R798 F804	I707-I800 HydrophobicContact CG2-CD1 3.32Å; F711-I800 HydrophobicContact CB-CG1 4.49Å; F711-I800 HydrophobicContact CD1-CG1 4.31Å; F711-I800 HydrophobicContact CD1-CG2 4.32Å; F711-I800 HydrophobicContact CD2-CD1 3.43Å; F711-I800 VanDerWaalsContact CD2-CD1 3.43Å; F711-I800 HydrophobicContact CD2-CG1 3.85Å; F711-I800 HydrophobicContact CD2-CG2 4.19Å; F711-I800 HydrophobicContact CE1-CG2 3.75Å; F711-I800 HydrophobicContact CE2-CD1 3.73Å; F711-I800 HydrophobicContact CE2-CG1 4.13Å; F711-I800 HydrophobicContact CE2-CG2 3.6Å; F711-I800 HydrophobicContact CG-CD1 4.01Å; F711-I800 HydrophobicContact CG-CG1 3.96Å; F711-I800 HydrophobicContact CZ-CG1 4.48Å; F711-I800 HydrophobicContact CZ-CG2 3.35Å; T797-I800 HydrophobicContact CG2-CD1 3.94Å; T797-I800 WeakPolarHBondContact O-CB 3.41Å; T797-I800 WeakPolarHBondContact O-CD1 3.28Å; T797-I800 VanDerWaalsContact O-CG1 3.3Å; T797-I800 WeakPolarHBondContact O-CG1 3.17Å; T797-I800 PolarHBondContact O-N 2.68Å; R798-I800 PolarHBondContact O-N 2.89Å; I800-F804 HydrophobicContact CG2-CB 3.9Å
801	P	69.6	Low	81.1	Confident	81 Å²	81	69.9 Å²	69.9	53%	0.526	34%	0.343	S	S	.	.			trans	-55.9	143	-178	20.2	-32.4	0	0	0	112.2	N803 F804	P801-N803 PolarHBondContact O-N 2.96Å; P801-F804 PolarHBondContact O-N 3.45Å
802	E	54.7	Low	81	Confident	155 Å²	155	73.2 Å²	73.2	72%	0.724	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-54.7	-16.4	-173.4	-63.5	-167.1	148.7	0	0	114.8	F804 N805	E802-F804 PolarHBondContact O-N 2.85Å; E802-N805 VanDerWaalsContact O-CG 3.25Å; E802-N805 PolarHBondContact O-N 3.16Å; E802-N805 PolarHBondContact O-OD1 3.23Å
803	N	57.3	Low	81	Confident	139 Å²	139	70.4 Å²	70.4	74%	0.743	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-55.5	-21.6	170.8	-68.8	-30.6	0	0	0	112.9	P801	P801-N803 PolarHBondContact O-N 2.96Å
804	F	61.6	Low	81.1	Confident	96 Å²	96	67.1 Å²	67.1	42%	0.421	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-106.2	60.2	169.5	-127.5	-92.9	0	0	0	111.4	I800 P801 E802 E806 S807	I800-F804 HydrophobicContact CG2-CB 3.9Å; P801-F804 PolarHBondContact O-N 3.45Å; E802-F804 PolarHBondContact O-N 2.85Å; F804-E806 HydrophobicContact CD1-CB 4.36Å; F804-E806 PolarHBondContact O-N 2.78Å; F804-S807 PolarHBondContact O-N 3.36Å; F804-S807 VanDerWaalsContact O-N 3.15Å
805	N	66.2	Low	81.3	Confident	98 Å²	98	71.2 Å²	71.2	52%	0.524	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-16.4	-179.6	-88.8	-29.8	0	0	0	115.9	E802 S807 K808 F809	E802-N805 VanDerWaalsContact O-CG 3.25Å; E802-N805 PolarHBondContact O-N 3.16Å; E802-N805 PolarHBondContact O-OD1 3.23Å; N805-S807 VanDerWaalsContact C-N 3.33Å; N805-S807 PolarHBondContact O-N 3.48Å; N805-K808 PolarHBondContact O-N 3.11Å; N805-F809 WeakPolarHBondContact O-CD2 3.38Å
806	E	78.5	Confident	81.5	Confident	29 Å²	29	70.7 Å²	70.7	14%	0.136	33%	0.333	C	S	.	.	H	α-helix	trans	-59.9	-36.5	175.8	-172.9	165.1	-145.8	0	0	113.3	K703 F804 K808 F809 I810 K861	K703-E806 WeakPolarHBondContact CE-OE1 3.3Å; K703-E806 IonicContact NZ-OE1 3.93Å; K703-E806 PolarHBondContact NZ-OE1 2.81Å; F804-E806 HydrophobicContact CD1-CB 4.36Å; F804-E806 PolarHBondContact O-N 2.78Å; E806-K808 VanDerWaalsContact C-N 3.28Å; E806-K808 PolarHBondContact O-N 2.97Å; E806-F809 PolarHBondContact O-N 2.82Å; E806-I810 HydrophobicContact CG-CD1 3.99Å; E806-I810 HydrophobicContact CG-CG1 4.4Å; E806-I810 WeakPolarHBondContact O-CG1 3.34Å; E806-I810 PolarHBondContact O-N 3.45Å; E806-I810 VanDerWaalsContact O-N 3.08Å; E806-K861 IonicContact OE1-NZ 2.66Å; E806-K861 PolarHBondContact OE1-NZ 3.13Å
807	S	83.6	Confident	81.8	Confident	9 Å²	9	65.6 Å²	65.6	6%	0.063	31%	0.311	C	S	.	.	H	α-helix	trans	-61.9	-34.8	-178.5	-58.8	0	0	0	0	112.9	F804 N805 I810 G811	F804-S807 PolarHBondContact O-N 3.36Å; F804-S807 VanDerWaalsContact O-N 3.15Å; N805-S807 VanDerWaalsContact C-N 3.33Å; N805-S807 PolarHBondContact O-N 3.48Å; S807-I810 PolarHBondContact O-N 2.93Å; S807-G811 PolarHBondContact O-N 2.87Å
808	K	87.1	Confident	82.2	Confident	124 Å²	124	67.1 Å²	67.1	54%	0.539	32%	0.321	S	S	.	.	H	α-helix	trans	-66.6	-43.9	178.4	-174.5	176.5	-176.9	172.3	0	111.7	N805 E806 I810 G811 F812	N805-K808 PolarHBondContact O-N 3.11Å; E806-K808 VanDerWaalsContact C-N 3.28Å; E806-K808 PolarHBondContact O-N 2.97Å; K808-I810 VanDerWaalsContact C-N 3.33Å; K808-I810 PolarHBondContact O-N 3.04Å; K808-G811 PolarHBondContact O-N 3.22Å; K808-F812 HydrophobicContact CD-CE2 3.96Å; K808-F812 HydrophobicContact CD-CZ 4.3Å; K808-F812 VanDerWaalsContact CE-CZ 3.45Å; K808-F812 HydrophobicContact CG-CD2 4.08Å; K808-F812 HydrophobicContact CG-CE2 3.52Å; K808-F812 HydrophobicContact CG-CZ 3.97Å; K808-F812 VanDerWaalsContact O-CD2 3.31Å; K808-F812 WeakPolarHBondContact O-CD2 2.95Å; K808-F812 WeakPolarHBondContact O-CG 3.41Å; K808-F812 PolarHBondContact O-N 3.32Å
809	F	90.6	Very high	82.7	Confident	73 Å²	73	64.1 Å²	64.1	32%	0.32	32%	0.317	S	S	.	.	H	α-helix	trans	-64.5	-37.7	176	-68.9	-64.7	0	0	0	112.2	N805 E806 F812 T813 C856 L857 P860	N805-F809 WeakPolarHBondContact O-CD2 3.38Å; E806-F809 PolarHBondContact O-N 2.82Å; F809-F812 HydrophobicContact CD1-CD2 4.5Å; F809-F812 PolarHBondContact O-N 3.21Å; F809-T813 PolarHBondContact O-N 2.88Å; F809-T813 PolarHBondContact O-OG1 2.87Å; F809-T813 VanDerWaalsContact O-OG1 3.09Å; F809-C856 WeakPolarHBondContact CB-O 3.45Å; F809-C856 WeakPolarHBondContact CD1-O 3.31Å; F809-C856 WeakPolarHBondContact CG-O 3.45Å; F809-L857 HydrophobicContact CB-CD2 4.22Å; F809-P860 HydrophobicContact CD1-CG 3.82Å; F809-P860 HydrophobicContact CE1-CB 4.12Å; F809-P860 HydrophobicContact CE1-CG 3.56Å; F809-P860 HydrophobicContact CE2-CB 4.1Å; F809-P860 HydrophobicContact CE2-CG 4.28Å; F809-P860 HydrophobicContact CG-CG 4.3Å; F809-P860 HydrophobicContact CZ-CB 3.83Å; F809-P860 HydrophobicContact CZ-CG 3.82Å
810	I	91.2	Very high	83.4	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63	-43.8	173.2	-63.4	167.9	0	0	0	111.3	L700 T704 I707 A794 E806 S807 K808 F812 T813 M814 L857	L700-I810 HydrophobicContact CD1-CD1 4.4Å; L700-I810 HydrophobicContact CD1-CG1 4.07Å; L700-I810 HydrophobicContact CD1-CG2 3.87Å; L700-I810 HydrophobicContact CD2-CG2 4.44Å; L700-I810 HydrophobicContact CG-CG2 4.35Å; T704-I810 HydrophobicContact CG2-CD1 4.17Å; T704-I810 HydrophobicContact CG2-CG2 3.47Å; T704-I810 VanDerWaalsContact CG2-CG2 3.47Å; I707-I810 HydrophobicContact CD1-CD1 4.03Å; A794-I810 HydrophobicContact CB-CG2 4.14Å; E806-I810 HydrophobicContact CG-CD1 3.99Å; E806-I810 HydrophobicContact CG-CG1 4.4Å; E806-I810 WeakPolarHBondContact O-CG1 3.34Å; E806-I810 PolarHBondContact O-N 3.45Å; E806-I810 VanDerWaalsContact O-N 3.08Å; S807-I810 PolarHBondContact O-N 2.93Å; K808-I810 VanDerWaalsContact C-N 3.33Å; K808-I810 PolarHBondContact O-N 3.04Å; I810-F812 PolarHBondContact O-N 3.14Å; I810-T813 PolarHBondContact O-N 3.25Å; I810-M814 HydrophobicContact CG2-CG 4.45Å; I810-M814 WeakPolarHBondContact O-CG 3.12Å; I810-M814 PolarHBondContact O-N 2.79Å; I810-L857 HydrophobicContact CB-CD2 4.42Å; I810-L857 HydrophobicContact CG1-CD2 3.8Å
811	G	90.8	Very high	84.2	Confident	4 Å²	4	57.5 Å²	57.5	4%	0.041	29%	0.286	C	S	.	.	H	α-helix	trans	-54.9	-50.9	172.6	0	0	0	0	0	111.8	S807 K808 T813 M814 Y815	S807-G811 PolarHBondContact O-N 2.87Å; K808-G811 PolarHBondContact O-N 3.22Å; G811-T813 PolarHBondContact O-N 3.38Å; G811-M814 PolarHBondContact O-N 3.27Å; G811-Y815 WeakPolarHBondContact O-CB 3.37Å; G811-Y815 WeakPolarHBondContact O-CD2 3.36Å; G811-Y815 PolarHBondContact O-N 2.93Å
812	F	92.4	Very high	85.2	Confident	93 Å²	93	59.7 Å²	59.7	41%	0.408	29%	0.292	S	S	.	.	H	α-helix	trans	-60.3	-41.8	178.4	-68.6	-43.7	0	0	0	113.6	K808 F809 I810 T816	K808-F812 HydrophobicContact CD-CE2 3.96Å; K808-F812 HydrophobicContact CD-CZ 4.3Å; K808-F812 VanDerWaalsContact CE-CZ 3.45Å; K808-F812 HydrophobicContact CG-CD2 4.08Å; K808-F812 HydrophobicContact CG-CE2 3.52Å; K808-F812 HydrophobicContact CG-CZ 3.97Å; K808-F812 VanDerWaalsContact O-CD2 3.31Å; K808-F812 WeakPolarHBondContact O-CD2 2.95Å; K808-F812 WeakPolarHBondContact O-CG 3.41Å; K808-F812 PolarHBondContact O-N 3.32Å; F809-F812 HydrophobicContact CD1-CD2 4.5Å; F809-F812 PolarHBondContact O-N 3.21Å; I810-F812 PolarHBondContact O-N 3.14Å; F812-T816 VanDerWaalsContact O-CB 3.32Å; F812-T816 WeakPolarHBondContact O-CB 3.41Å; F812-T816 PolarHBondContact O-N 3.32Å; F812-T816 PolarHBondContact O-OG1 3.32Å
813	T	94.2	Very high	87	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-56.3	-52.9	173.4	-61	0	0	0	0	110.5	L700 F809 I810 G811 T816 T817 V852 M853 C856 L857	L700-T813 HydrophobicContact CD2-CG2 4.25Å; F809-T813 PolarHBondContact O-N 2.88Å; F809-T813 PolarHBondContact O-OG1 2.87Å; F809-T813 VanDerWaalsContact O-OG1 3.09Å; I810-T813 PolarHBondContact O-N 3.25Å; G811-T813 PolarHBondContact O-N 3.38Å; T813-T816 PolarHBondContact O-N 3.27Å; T813-T817 WeakPolarHBondContact O-CB 3.28Å; T813-T817 PolarHBondContact O-N 2.9Å; T813-T817 PolarHBondContact O-OG1 2.94Å; T813-T817 VanDerWaalsContact O-OG1 3.05Å; T813-V852 HydrophobicContact CG2-CG1 4.23Å; T813-M853 HydrophobicContact CG2-CB 4.37Å; T813-M853 HydrophobicContact CG2-CE 4.19Å; T813-M853 HydrophobicContact CG2-SD 3.73Å; T813-C856 WeakPolarHBondContact OG1-CB 3.37Å; T813-L857 WeakPolarHBondContact OG1-CD2 3.48Å; T813-L857 WeakPolarHBondContact OG1-CG 3.49Å
814	M	94.7	Very high	88.6	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67.6	-41.7	-175	-66.8	-47.4	-54.6	0	0	113	Y697 L700 I787 C790 T791 A794 I810 G811 T817 C818	Y697-M814 HydrophobicContact CD1-CE 4.04Å; Y697-M814 HydrophobicContact CD1-SD 3.95Å; Y697-M814 HydrophobicContact CE1-CE 4.16Å; Y697-M814 HydrophobicContact CE1-SD 4.02Å; L700-M814 HydrophobicContact CD2-CG 4.17Å; L700-M814 HydrophobicContact CD2-SD 3.39Å; L700-M814 WeakPolarHBondContact CD2-SD 3.06Å; L700-M814 HydrophobicContact CG-SD 4.44Å; I787-M814 HydrophobicContact CB-CE 4.35Å; I787-M814 HydrophobicContact CG2-CE 3.85Å; I787-M814 VanDerWaalsContact O-CE 3.29Å; I787-M814 WeakPolarHBondContact O-CE 3.47Å; C790-M814 HydrophobicContact CB-CE 3.67Å; C790-M814 HydrophobicContact CB-SD 4.14Å; T791-M814 HydrophobicContact CG2-CB 4.47Å; T791-M814 WeakPolarHBondContact OG1-CE 3.03Å; A794-M814 HydrophobicContact CB-CB 4.21Å; A794-M814 HydrophobicContact CB-CG 3.98Å; I810-M814 HydrophobicContact CG2-CG 4.45Å; I810-M814 WeakPolarHBondContact O-CG 3.12Å; I810-M814 PolarHBondContact O-N 2.79Å; G811-M814 PolarHBondContact O-N 3.27Å; M814-T817 PolarHBondContact O-N 3.01Å; M814-C818 PolarHBondContact O-N 2.8Å; M814-C818 PolarHBondContact O-SG 3.48Å
815	Y	94.3	Very high	89.8	Confident	87 Å²	87	46.3 Å²	46.3	34%	0.341	24%	0.236	S	C	.	.	H	α-helix	trans	-64.7	-43.4	178.3	-56.7	-30	0	0	0	111.8	T791 V795 G811 C818 I819	T791-Y815 HydrophobicContact CG2-CD1 4.17Å; T791-Y815 HydrophobicContact CG2-CE1 4.11Å; V795-Y815 HydrophobicContact CG2-CE1 3.87Å; V795-Y815 WeakPolarHBondContact CG2-OH 3.42Å; G811-Y815 WeakPolarHBondContact O-CB 3.37Å; G811-Y815 WeakPolarHBondContact O-CD2 3.36Å; G811-Y815 PolarHBondContact O-N 2.93Å; Y815-C818 PolarHBondContact O-N 2.93Å; Y815-I819 WeakPolarHBondContact O-CG1 3.32Å; Y815-I819 PolarHBondContact O-N 3.17Å
816	T	94.2	Very high	91	Very high	43 Å²	43	45.5 Å²	45.5	26%	0.264	24%	0.236	S	C	.	.	H	α-helix	trans	-68.2	-39.2	178.8	-48	0	0	0	0	110.9	F812 T813 I819 I820 V852	F812-T816 VanDerWaalsContact O-CB 3.32Å; F812-T816 WeakPolarHBondContact O-CB 3.41Å; F812-T816 PolarHBondContact O-N 3.32Å; F812-T816 PolarHBondContact O-OG1 3.32Å; T813-T816 PolarHBondContact O-N 3.27Å; T816-I819 PolarHBondContact O-N 3.21Å; T816-I820 HydrophobicContact CG2-CD1 4.31Å; T816-I820 WeakPolarHBondContact O-CG1 3.2Å; T816-I820 PolarHBondContact O-N 2.81Å; T816-V852 HydrophobicContact CG2-CG1 4.05Å; T816-V852 HydrophobicContact CG2-CG2 3.58Å
817	T	93.9	Very high	91.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.3	-50.2	170.3	-71	0	0	0	0	111.2	Y697 I787 T813 M814 I819 I820 W821	Y697-T817 HydrophobicContact CE1-CG2 3.92Å; Y697-T817 HydrophobicContact CE2-CG2 4.38Å; Y697-T817 WeakPolarHBondContact OH-CG2 3.38Å; Y697-T817 PolarHBondContact OH-OG1 3.49Å; Y697-T817 VanDerWaalsContact OH-OG1 3.06Å; I787-T817 HydrophobicContact CD1-CG2 4Å; I787-T817 HydrophobicContact CG1-CG2 4.22Å; I787-T817 HydrophobicContact CG2-CG2 3.91Å; T813-T817 WeakPolarHBondContact O-CB 3.28Å; T813-T817 PolarHBondContact O-N 2.9Å; T813-T817 PolarHBondContact O-OG1 2.94Å; T813-T817 VanDerWaalsContact O-OG1 3.05Å; M814-T817 PolarHBondContact O-N 3.01Å; T817-I819 VanDerWaalsContact C-N 3.27Å; T817-I819 PolarHBondContact O-N 3.32Å; T817-I820 PolarHBondContact O-N 2.53Å; T817-I820 VanDerWaalsContact O-N 3.14Å; T817-W821 VanDerWaalsContact O-CD1 3.25Å; T817-W821 PolarHBondContact O-N 2.84Å
818	C	94.5	Very high	91.7	Very high	32 Å²	32	47.8 Å²	47.8	22%	0.216	25%	0.246	C	C	.	.	H	α-helix	trans	-57.8	-40.7	178.9	-72.2	0	0	0	0	112.1	T791 M814 Y815 W821 L822	T791-C818 PolarHBondContact OG1-SG 3.33Å; T791-C818 VanDerWaalsContact OG1-SG 3.38Å; M814-C818 PolarHBondContact O-N 2.8Å; M814-C818 PolarHBondContact O-SG 3.48Å; Y815-C818 PolarHBondContact O-N 2.93Å; C818-W821 PolarHBondContact O-N 2.59Å; C818-L822 WeakPolarHBondContact O-CB 3.34Å; C818-L822 VanDerWaalsContact O-CG 3.27Å; C818-L822 WeakPolarHBondContact O-CG 3.45Å; C818-L822 PolarHBondContact O-N 2.84Å
819	I	94.3	Very high	91.7	Very high	113 Å²	113	48 Å²	48	58%	0.579	24%	0.244	S	C	*	.	H	α-helix	trans	-62.7	-45.6	176	-67.3	165.8	0	0	0	111.1	Y815 T816 T817 W821 L822 A823	Y815-I819 WeakPolarHBondContact O-CG1 3.32Å; Y815-I819 PolarHBondContact O-N 3.17Å; T816-I819 PolarHBondContact O-N 3.21Å; T817-I819 VanDerWaalsContact C-N 3.27Å; T817-I819 PolarHBondContact O-N 3.32Å; I819-W821 VanDerWaalsContact C-N 3.3Å; I819-W821 PolarHBondContact O-N 2.73Å; I819-L822 PolarHBondContact O-N 3.27Å; I819-A823 PolarHBondContact O-N 2.89Å
820	I	93.6	Very high	91.6	Very high	24 Å²	24	48.1 Å²	48.1	12%	0.123	26%	0.259	C	S	.	.	H	α-helix	trans	-58.3	-43.8	176.9	-69.1	163.5	0	0	0	110.8	T816 T817 A823 F824 L848 V852	T816-I820 HydrophobicContact CG2-CD1 4.31Å; T816-I820 WeakPolarHBondContact O-CG1 3.2Å; T816-I820 PolarHBondContact O-N 2.81Å; T817-I820 PolarHBondContact O-N 2.53Å; T817-I820 VanDerWaalsContact O-N 3.14Å; I820-A823 PolarHBondContact O-N 3.12Å; I820-F824 WeakPolarHBondContact O-CB 3.05Å; I820-F824 PolarHBondContact O-N 2.01Å; I820-L848 HydrophobicContact CD1-CB 3.95Å; I820-V852 HydrophobicContact CD1-CG2 3.7Å
821	W	90.8	Very high	91.4	Very high	8 Å²	8	48.5 Å²	48.5	3%	0.03	26%	0.261	C	S	.	.	H	α-helix	trans	-73	-35.6	-179	-82	94.1	0	0	0	113.8	F693 L780 M784 I787 T817 C818 I819 A823 F824 L825	F693-W821 HydrophobicContact CD1-CZ2 4.24Å; F693-W821 HydrophobicContact CD2-CH2 4.12Å; F693-W821 AromaticContact CD2-CZ2 3.73Å; F693-W821 HydrophobicContact CD2-CZ2 3.73Å; F693-W821 AromaticContact CE1-CZ2 3.83Å; F693-W821 HydrophobicContact CE1-CZ2 3.83Å; F693-W821 AromaticContact CE2-CH2 3.64Å; F693-W821 HydrophobicContact CE2-CH2 3.64Å; F693-W821 AromaticContact CE2-CZ2 3.29Å; F693-W821 HydrophobicContact CE2-CZ2 3.29Å; F693-W821 HydrophobicContact CG-CZ2 4.18Å; F693-W821 HydrophobicContact CZ-CH2 4.06Å; F693-W821 AromaticContact CZ-CZ2 3.32Å; F693-W821 HydrophobicContact CZ-CZ2 3.32Å; L780-W821 HydrophobicContact CD1-CH2 4.07Å; L780-W821 HydrophobicContact CD1-CZ3 4Å; L780-W821 HydrophobicContact CD2-CH2 4.4Å; M784-W821 HydrophobicContact CE-CB 4.04Å; M784-W821 HydrophobicContact CE-CG 4.46Å; M784-W821 HydrophobicContact SD-CB 4.14Å; M784-W821 HydrophobicContact SD-CD2 3.61Å; M784-W821 HydrophobicContact SD-CE3 3.44Å; M784-W821 HydrophobicContact SD-CG 3.95Å; M784-W821 HydrophobicContact SD-CZ3 4.02Å; I787-W821 HydrophobicContact CD1-CD2 4.42Å; I787-W821 HydrophobicContact CD1-CG 4.34Å; I787-W821 HydrophobicContact CD1-CZ2 4.37Å; T817-W821 VanDerWaalsContact O-CD1 3.25Å; T817-W821 PolarHBondContact O-N 2.84Å; C818-W821 PolarHBondContact O-N 2.59Å; I819-W821 VanDerWaalsContact C-N 3.3Å; I819-W821 PolarHBondContact O-N 2.73Å; W821-A823 VanDerWaalsContact C-N 3.26Å; W821-A823 PolarHBondContact O-N 3.31Å; W821-F824 AromaticContact CE3-CD1 3.69Å; W821-F824 HydrophobicContact CE3-CD1 3.69Å; W821-F824 HydrophobicContact CE3-CE1 4.26Å; W821-F824 AromaticContact CZ3-CD1 3.72Å; W821-F824 HydrophobicContact CZ3-CD1 3.72Å; W821-F824 AromaticContact CZ3-CE1 3.82Å; W821-F824 HydrophobicContact CZ3-CE1 3.82Å; W821-F824 PolarHBondContact O-N 3.16Å; W821-L825 PolarHBondContact O-N 3.1Å
822	L	91.6	Very high	91	Very high	127 Å²	127	52.2 Å²	52.2	67%	0.665	28%	0.279	S	S	*	.	H	α-helix	trans	-64	-32.2	171.9	-75.2	172.8	0	0	0	111.9	C818 I819 P826	C818-L822 WeakPolarHBondContact O-CB 3.34Å; C818-L822 VanDerWaalsContact O-CG 3.27Å; C818-L822 WeakPolarHBondContact O-CG 3.45Å; C818-L822 PolarHBondContact O-N 2.84Å; I819-L822 PolarHBondContact O-N 3.27Å; L822-P826 WeakPolarHBondContact O-CD 3.12Å; L822-P826 WeakPolarHBondContact O-CG 3.37Å
823	A	91.8	Very high	90.4	Very high	47 Å²	47	52.1 Å²	52.1	39%	0.388	29%	0.29	S	S	.	.	H	α-helix	trans	-78.4	-39.3	173.5	0	0	0	0	0	112.7	I819 I820 W821 P826 M827	I819-A823 PolarHBondContact O-N 2.89Å; I820-A823 PolarHBondContact O-N 3.12Å; W821-A823 VanDerWaalsContact C-N 3.26Å; W821-A823 PolarHBondContact O-N 3.31Å; A823-P826 WeakPolarHBondContact O-CD 3.23Å; A823-M827 HydrophobicContact CB-CE 4.41Å; A823-M827 VanDerWaalsContact O-CG 3.3Å; A823-M827 WeakPolarHBondContact O-CG 3.29Å; A823-M827 PolarHBondContact O-N 2.89Å
824	F	90.8	Very high	90.1	Very high	1 Å²	1	54.8 Å²	54.8	0%	0.004	30%	0.304	C	S	.	.	H	α-helix	trans	-61.4	-46.5	-178.7	166.4	-104.4	0	0	0	112.8	F776 L780 I820 W821 M827 Y828 T841 L842 S845	F776-F824 HydrophobicContact CE1-CZ 4.47Å; L780-F824 HydrophobicContact CD1-CE1 4.26Å; I820-F824 WeakPolarHBondContact O-CB 3.05Å; I820-F824 PolarHBondContact O-N 2.01Å; W821-F824 AromaticContact CE3-CD1 3.69Å; W821-F824 HydrophobicContact CE3-CD1 3.69Å; W821-F824 HydrophobicContact CE3-CE1 4.26Å; W821-F824 AromaticContact CZ3-CD1 3.72Å; W821-F824 HydrophobicContact CZ3-CD1 3.72Å; W821-F824 AromaticContact CZ3-CE1 3.82Å; W821-F824 HydrophobicContact CZ3-CE1 3.82Å; W821-F824 PolarHBondContact O-N 3.16Å; F824-M827 PolarHBondContact O-N 3.27Å; F824-Y828 AromaticContact CE2-CD2 3.94Å; F824-Y828 HydrophobicContact CE2-CD2 3.94Å; F824-Y828 HydrophobicContact CE2-CG 4.33Å; F824-Y828 AromaticContact CZ-CD2 3.76Å; F824-Y828 HydrophobicContact CZ-CD2 3.76Å; F824-Y828 HydrophobicContact CZ-CG 4.02Å; F824-Y828 WeakPolarHBondContact O-CB 3.26Å; F824-Y828 PolarHBondContact O-N 3.39Å; F824-T841 HydrophobicContact CD2-CG2 4.49Å; F824-L842 HydrophobicContact CE2-CB 4.2Å; F824-L842 HydrophobicContact CE2-CD1 3.69Å; F824-L842 HydrophobicContact CZ-CD1 3.63Å; F824-S845 WeakPolarHBondContact CD2-OG 3.32Å
825	L	86.9	Confident	89.6	Confident	60 Å²	60	55.4 Å²	55.4	31%	0.314	31%	0.307	S	S	.	.	H	α-helix	trans	-58.1	-51.6	-174.1	-76.5	169.9	0	0	0	112.8	L777 M784 W821 Y828 Y829	L777-L825 HydrophobicContact CD2-CD2 4.09Å; M784-L825 HydrophobicContact CE-CD1 4.47Å; W821-L825 PolarHBondContact O-N 3.1Å; L825-Y828 PolarHBondContact O-N 3.49Å; L825-Y829 WeakPolarHBondContact O-CD2 3.41Å; L825-Y829 PolarHBondContact O-N 3.18Å
826	P	90.3	Very high	89.3	Confident	82 Å²	82	53 Å²	53	53%	0.532	30%	0.299	S	S	.	.	H	α-helix	trans	-62.3	-41	173.6	-23.7	34.3	0	0	0	113.4	L822 A823 Y828 Y829 A830	L822-P826 WeakPolarHBondContact O-CD 3.12Å; L822-P826 WeakPolarHBondContact O-CG 3.37Å; A823-P826 WeakPolarHBondContact O-CD 3.23Å; P826-Y828 VanDerWaalsContact C-N 3.34Å; P826-Y828 PolarHBondContact O-N 3Å; P826-Y829 PolarHBondContact O-N 3.35Å; P826-A830 WeakPolarHBondContact O-CB 3.07Å; P826-A830 PolarHBondContact O-N 3.39Å
827	M	89.9	Confident	89.1	Confident	65 Å²	65	52.4 Å²	52.4	32%	0.32	29%	0.294	S	S	.	.	H	α-helix	trans	-65.1	-37	-179.8	-71.9	-165	-59.1	0	0	112.5	A823 F824 Y829 A830 T831 T841	A823-M827 HydrophobicContact CB-CE 4.41Å; A823-M827 VanDerWaalsContact O-CG 3.3Å; A823-M827 WeakPolarHBondContact O-CG 3.29Å; A823-M827 PolarHBondContact O-N 2.89Å; F824-M827 PolarHBondContact O-N 3.27Å; M827-Y829 PolarHBondContact O-N 3.22Å; M827-A830 PolarHBondContact O-N 3.05Å; M827-T831 WeakPolarHBondContact O-CB 3.15Å; M827-T831 VanDerWaalsContact O-CG2 3.23Å; M827-T831 WeakPolarHBondContact O-CG2 3.14Å; M827-T831 PolarHBondContact O-N 3.25Å; M827-T831 VanDerWaalsContact O-N 3.09Å; M827-T831 PolarHBondContact O-OG1 3.16Å; M827-T841 HydrophobicContact CB-CG2 3.94Å; M827-T841 HydrophobicContact CE-CG2 3.85Å; M827-T841 HydrophobicContact SD-CG2 4.43Å
828	Y	87.3	Confident	88.8	Confident	21 Å²	21	53.4 Å²	53.4	8%	0.082	30%	0.299	C	S	.	.	H	α-helix	trans	-62.1	-42.5	177.6	-177.9	-94.1	0	0	0	111.9	F776 L777 F824 L825 P826 T831 Q838	F776-Y828 HydrophobicContact CD1-CE1 4.17Å; F776-Y828 AromaticContact CD1-CE2 3.93Å; F776-Y828 HydrophobicContact CD1-CE2 3.93Å; F776-Y828 AromaticContact CD1-CZ 3.53Å; F776-Y828 VanDerWaalsContact CD1-OH 3.28Å; F776-Y828 WeakPolarHBondContact CD1-OH 3.4Å; F776-Y828 HydrophobicContact CE1-CD2 4.46Å; F776-Y828 AromaticContact CE1-CE2 3.77Å; F776-Y828 HydrophobicContact CE1-CE2 3.77Å; F776-Y828 AromaticContact CE1-CZ 3.89Å; L777-Y828 HydrophobicContact CD1-CD1 4.14Å; L777-Y828 HydrophobicContact CD1-CE1 4.12Å; L777-Y828 HydrophobicContact CD2-CD1 3.93Å; L777-Y828 HydrophobicContact CD2-CE1 4.06Å; L777-Y828 HydrophobicContact CG-CD1 4.3Å; L777-Y828 HydrophobicContact CG-CE1 4.07Å; F824-Y828 AromaticContact CE2-CD2 3.94Å; F824-Y828 HydrophobicContact CE2-CD2 3.94Å; F824-Y828 HydrophobicContact CE2-CG 4.33Å; F824-Y828 AromaticContact CZ-CD2 3.76Å; F824-Y828 HydrophobicContact CZ-CD2 3.76Å; F824-Y828 HydrophobicContact CZ-CG 4.02Å; F824-Y828 WeakPolarHBondContact O-CB 3.26Å; F824-Y828 PolarHBondContact O-N 3.39Å; L825-Y828 PolarHBondContact O-N 3.49Å; P826-Y828 VanDerWaalsContact C-N 3.34Å; P826-Y828 PolarHBondContact O-N 3Å; Y828-T831 PolarHBondContact O-OG1 3.09Å; Y828-Q838 HydrophobicContact CD2-CG 4.04Å; Y828-Q838 HydrophobicContact CE2-CG 3.88Å; Y828-Q838 VanDerWaalsContact CZ-NE2 3.33Å
829	Y	88.1	Confident	88.6	Confident	128 Å²	128	54.1 Å²	54.1	50%	0.502	30%	0.3	S	S	.	.	H	α-helix	trans	-71.2	-41.5	175.3	-78.6	-69.7	0	0	0	112.6	L777 L825 P826 M827 T831 I832	L777-Y829 HydrophobicContact CD1-CD2 4.48Å; L777-Y829 HydrophobicContact CD1-CE1 3.82Å; L777-Y829 HydrophobicContact CD1-CE2 3.53Å; L777-Y829 WeakPolarHBondContact CD1-OH 3.34Å; L825-Y829 WeakPolarHBondContact O-CD2 3.41Å; L825-Y829 PolarHBondContact O-N 3.18Å; P826-Y829 PolarHBondContact O-N 3.35Å; M827-Y829 PolarHBondContact O-N 3.22Å; Y829-T831 PolarHBondContact O-N 3.01Å; Y829-I832 WeakPolarHBondContact O-CG2 3.47Å; Y829-I832 PolarHBondContact O-N 3.04Å
830	A	87.7	Confident	88.5	Confident	76 Å²	76	49 Å²	49	63%	0.628	28%	0.275	S	S	*	.	H	α-helix	trans	-63.8	-22.4	179.6	0	0	0	0	0	113.2	P826 M827	P826-A830 WeakPolarHBondContact O-CB 3.07Å; P826-A830 PolarHBondContact O-N 3.39Å; M827-A830 PolarHBondContact O-N 3.05Å
831	T	87.6	Confident	88.4	Confident	8 Å²	8	49 Å²	49	5%	0.049	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	7.3	-175.7	55.8	0	0	0	0	113.6	M827 Y828 Y829 S833 N834 I837 Q838	M827-T831 WeakPolarHBondContact O-CB 3.15Å; M827-T831 VanDerWaalsContact O-CG2 3.23Å; M827-T831 WeakPolarHBondContact O-CG2 3.14Å; M827-T831 PolarHBondContact O-N 3.25Å; M827-T831 VanDerWaalsContact O-N 3.09Å; M827-T831 PolarHBondContact O-OG1 3.16Å; Y828-T831 PolarHBondContact O-OG1 3.09Å; Y829-T831 PolarHBondContact O-N 3.01Å; T831-S833 PolarHBondContact O-N 3.37Å; T831-S833 VanDerWaalsContact O-N 3.09Å; T831-N834 CarbonylContact O-C 3.47Å; T831-N834 PolarHBondContact O-N 3.17Å; T831-I837 HydrophobicContact CG2-CB 4.24Å; T831-I837 HydrophobicContact CG2-CG2 3.45Å; T831-I837 VanDerWaalsContact CG2-CG2 3.45Å; T831-Q838 WeakPolarHBondContact OG1-CA 3.18Å
832	I	82	Confident	88.5	Confident	82 Å²	82	49.1 Å²	49.1	42%	0.421	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-28.4	-177	-162.4	166.5	0	0	0	113.9	Y829	Y829-I832 WeakPolarHBondContact O-CG2 3.47Å; Y829-I832 PolarHBondContact O-N 3.04Å
833	S	80.6	Confident	88.6	Confident	90 Å²	90	43.1 Å²	43.1	63%	0.629	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-27.8	177.4	57.5	0	0	0	0	113.2	T831	T831-S833 PolarHBondContact O-N 3.37Å; T831-S833 VanDerWaalsContact O-N 3.09Å
834	N	86.8	Confident	88.7	Confident	56 Å²	56	43 Å²	43	30%	0.299	24%	0.238	S	C	.	.			trans	-115.5	99.6	-178.3	-170.1	-33	0	0	0	110.8	T831 Q836 I837 Q838	T831-N834 CarbonylContact O-C 3.47Å; T831-N834 PolarHBondContact O-N 3.17Å; N834-Q836 VanDerWaalsContact C-N 3.28Å; N834-Q836 PolarHBondContact O-N 2.79Å; N834-Q836 PolarHBondContact OD1-N 3.27Å; N834-Q836 VanDerWaalsContact OD1-N 3.13Å; N834-I837 HydrophobicContact CB-CB 4.25Å; N834-I837 HydrophobicContact CB-CD1 4.01Å; N834-I837 HydrophobicContact CB-CG1 4.16Å; N834-I837 VanDerWaalsContact ND2-CD1 3.33Å; N834-I837 WeakPolarHBondContact ND2-CD1 3.46Å; N834-I837 PolarHBondContact O-N 2.83Å; N834-I837 PolarHBondContact OD1-N 3.41Å; N834-Q838 WeakPolarHBondContact O-CB 3.49Å; N834-Q838 PolarHBondContact O-N 3.36Å
835	H	83.7	Confident	88.8	Confident	13 Å²	13	43.5 Å²	43.5	6%	0.06	24%	0.241	C	C	.	.	H	α-helix	trans	-56.9	-36.9	-177.6	68.7	-81.9	0	0	0	113.8	I839	H835-I839 WeakPolarHBondContact O-CG1 3.45Å; H835-I839 PolarHBondContact O-N 2.98Å; H835-I839 VanDerWaalsContact O-N 3.12Å
836	Q	88.6	Confident	89.1	Confident	37 Å²	37	40.7 Å²	40.7	17%	0.173	23%	0.227	C	C	.	.	H	α-helix	trans	-66.4	-47.2	-179.2	-56.6	-173.4	-23.5	0	0	110.5	I611 F617 N834 A840	I611-Q836 HydrophobicContact CG1-CG 4.23Å; F617-Q836 HydrophobicContact CB-CB 4.27Å; F617-Q836 HydrophobicContact CD2-CB 3.8Å; F617-Q836 VanDerWaalsContact CD2-OE1 3.28Å; F617-Q836 HydrophobicContact CE2-CB 4.33Å; F617-Q836 HydrophobicContact CG-CB 4.02Å; N834-Q836 VanDerWaalsContact C-N 3.28Å; N834-Q836 PolarHBondContact O-N 2.79Å; N834-Q836 PolarHBondContact OD1-N 3.27Å; N834-Q836 VanDerWaalsContact OD1-N 3.13Å; Q836-A840 VanDerWaalsContact O-CB 3.24Å; Q836-A840 WeakPolarHBondContact O-CB 3.45Å; Q836-A840 PolarHBondContact O-N 2.79Å
837	I	89.4	Confident	89.4	Confident	30 Å²	30	36.8 Å²	36.8	15%	0.154	20%	0.201	C	C	.	.	H	α-helix	trans	-67.3	-40.3	179.6	-56.9	177.3	0	0	0	110.5	F617 T831 N834 T841	F617-I837 HydrophobicContact CD1-CG1 4.46Å; F617-I837 HydrophobicContact CE1-CG1 3.81Å; F617-I837 HydrophobicContact CZ-CG1 4.07Å; T831-I837 HydrophobicContact CG2-CB 4.24Å; T831-I837 HydrophobicContact CG2-CG2 3.45Å; T831-I837 VanDerWaalsContact CG2-CG2 3.45Å; N834-I837 HydrophobicContact CB-CB 4.25Å; N834-I837 HydrophobicContact CB-CD1 4.01Å; N834-I837 HydrophobicContact CB-CG1 4.16Å; N834-I837 VanDerWaalsContact ND2-CD1 3.33Å; N834-I837 WeakPolarHBondContact ND2-CD1 3.46Å; N834-I837 PolarHBondContact O-N 2.83Å; N834-I837 PolarHBondContact OD1-N 3.41Å; I837-T841 VanDerWaalsContact O-CB 3.25Å; I837-T841 WeakPolarHBondContact O-CB 3.4Å; I837-T841 PolarHBondContact O-N 3.43Å; I837-T841 PolarHBondContact O-OG1 2.94Å
838	Q	89.1	Confident	89.6	Confident	22 Å²	22	35.5 Å²	35.5	10%	0.103	20%	0.195	C	C	.	.	H	α-helix	trans	-60.1	-50.6	179.8	-170	-178.5	28.8	0	0	112.2	Y828 T831 N834 T841 L842	Y828-Q838 HydrophobicContact CD2-CG 4.04Å; Y828-Q838 HydrophobicContact CE2-CG 3.88Å; Y828-Q838 VanDerWaalsContact CZ-NE2 3.33Å; T831-Q838 WeakPolarHBondContact OG1-CA 3.18Å; N834-Q838 WeakPolarHBondContact O-CB 3.49Å; N834-Q838 PolarHBondContact O-N 3.36Å; Q838-T841 PolarHBondContact O-N 3.41Å; Q838-L842 PolarHBondContact O-N 2.87Å; Q838-L842 VanDerWaalsContact O-N 3.08Å
839	I	90.1	Very high	90	Very high	46 Å²	46	34.5 Å²	34.5	24%	0.236	19%	0.191	C	C	.	.	H	α-helix	trans	-68.9	-41.8	-179.3	-66.2	170.5	0	0	0	110.9	I611 L673 H835 T841 L842 C843	I611-I839 HydrophobicContact CD1-CB 3.65Å; I611-I839 HydrophobicContact CD1-CD1 3.69Å; I611-I839 HydrophobicContact CD1-CG1 4.22Å; I611-I839 HydrophobicContact CD1-CG2 3.75Å; L673-I839 HydrophobicContact CB-CG2 4.18Å; H835-I839 WeakPolarHBondContact O-CG1 3.45Å; H835-I839 PolarHBondContact O-N 2.98Å; H835-I839 VanDerWaalsContact O-N 3.12Å; I839-T841 VanDerWaalsContact C-N 3.33Å; I839-T841 PolarHBondContact O-N 2.89Å; I839-L842 PolarHBondContact O-N 3.05Å; I839-C843 PolarHBondContact O-N 3.18Å; I839-C843 PolarHBondContact O-SG 2.87Å
840	A	92	Very high	90.4	Very high	7 Å²	7	28.4 Å²	28.4	6%	0.058	17%	0.168	C	C	.	.	H	α-helix	trans	-61.3	-42.7	176.7	0	0	0	0	0	111.7	F617 P621 Q836 L842 C843 I844	F617-A840 HydrophobicContact CB-CB 4.16Å; F617-A840 HydrophobicContact CD1-CB 4.32Å; P621-A840 HydrophobicContact CG-CB 4.38Å; Q836-A840 VanDerWaalsContact O-CB 3.24Å; Q836-A840 WeakPolarHBondContact O-CB 3.45Å; Q836-A840 PolarHBondContact O-N 2.79Å; A840-L842 PolarHBondContact O-N 3.17Å; A840-C843 PolarHBondContact O-N 3.17Å; A840-I844 VanDerWaalsContact O-CG1 3.3Å; A840-I844 WeakPolarHBondContact O-CG1 3.46Å; A840-I844 PolarHBondContact O-N 3.1Å
841	T	91.4	Very high	90.8	Very high	22 Å²	22	26 Å²	26	14%	0.135	15%	0.147	C	C	.	.	H	α-helix	trans	-60.6	-45.5	176.1	-59	0	0	0	0	111	F824 M827 I837 Q838 I839 C843 I844 S845	F824-T841 HydrophobicContact CD2-CG2 4.49Å; M827-T841 HydrophobicContact CB-CG2 3.94Å; M827-T841 HydrophobicContact CE-CG2 3.85Å; M827-T841 HydrophobicContact SD-CG2 4.43Å; I837-T841 VanDerWaalsContact O-CB 3.25Å; I837-T841 WeakPolarHBondContact O-CB 3.4Å; I837-T841 PolarHBondContact O-N 3.43Å; I837-T841 PolarHBondContact O-OG1 2.94Å; Q838-T841 PolarHBondContact O-N 3.41Å; I839-T841 VanDerWaalsContact C-N 3.33Å; I839-T841 PolarHBondContact O-N 2.89Å; T841-C843 PolarHBondContact O-N 3.1Å; T841-I844 PolarHBondContact O-N 3.03Å; T841-S845 WeakPolarHBondContact O-CB 3.48Å; T841-S845 PolarHBondContact O-N 2.89Å; T841-S845 PolarHBondContact O-OG 3.19Å; T841-S845 VanDerWaalsContact O-OG 3.11Å
842	L	92	Very high	91.3	Very high	12 Å²	12	26.6 Å²	26.6	6%	0.063	15%	0.15	C	C	.	.	H	α-helix	trans	-59.5	-46.6	175.8	177	61.5	0	0	0	112	L673 I689 F776 F824 Q838 I839 A840 I844 S845 I846	L673-L842 HydrophobicContact CD1-CD2 4.01Å; L673-L842 HydrophobicContact CD1-CG 4.03Å; L673-L842 HydrophobicContact CD2-CD2 3.85Å; I689-L842 HydrophobicContact CD1-CD2 4.15Å; F776-L842 HydrophobicContact CE1-CD1 4.24Å; F776-L842 HydrophobicContact CE1-CD2 4.26Å; F776-L842 HydrophobicContact CE2-CD2 4.32Å; F776-L842 HydrophobicContact CZ-CD1 3.82Å; F776-L842 HydrophobicContact CZ-CD2 3.62Å; F776-L842 HydrophobicContact CZ-CG 4.4Å; F824-L842 HydrophobicContact CE2-CB 4.2Å; F824-L842 HydrophobicContact CE2-CD1 3.69Å; F824-L842 HydrophobicContact CZ-CD1 3.63Å; Q838-L842 PolarHBondContact O-N 2.87Å; Q838-L842 VanDerWaalsContact O-N 3.08Å; I839-L842 PolarHBondContact O-N 3.05Å; A840-L842 PolarHBondContact O-N 3.17Å; L842-I844 PolarHBondContact O-N 2.79Å; L842-S845 PolarHBondContact O-N 3.03Å; L842-I846 HydrophobicContact CD1-CD1 3.81Å; L842-I846 HydrophobicContact CD1-CG1 4.24Å; L842-I846 HydrophobicContact CG-CD1 3.91Å; L842-I846 WeakPolarHBondContact O-CD1 3.44Å; L842-I846 VanDerWaalsContact O-CG1 3.26Å; L842-I846 WeakPolarHBondContact O-CG1 3Å; L842-I846 PolarHBondContact O-N 3.03Å
843	C	94.1	Very high	91.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.4	-46	177.8	-64.9	0	0	0	0	111.9	P621 A670 L673 I839 A840 T841 I846 N847	P621-C843 HydrophobicContact CB-CB 3.66Å; P621-C843 HydrophobicContact CG-CB 4.15Å; A670-C843 HydrophobicContact CB-CB 4.28Å; L673-C843 VanDerWaalsContact CB-SG 3.52Å; I839-C843 PolarHBondContact O-N 3.18Å; I839-C843 PolarHBondContact O-SG 2.87Å; A840-C843 PolarHBondContact O-N 3.17Å; T841-C843 PolarHBondContact O-N 3.1Å; C843-I846 PolarHBondContact O-N 3.26Å; C843-N847 WeakPolarHBondContact O-CB 3.43Å; C843-N847 VanDerWaalsContact O-CG 3.25Å; C843-N847 PolarHBondContact O-N 2.94Å; C843-N847 PolarHBondContact O-ND2 3.27Å
844	I	93.6	Very high	92.6	Very high	46 Å²	46	19 Å²	19	24%	0.236	10%	0.103	C	C	.	.	H	α-helix	trans	-63.9	-44.6	180	-69.6	168.9	0	0	0	110.6	P621 A840 T841 L842 I846 N847 L848 L967	P621-I844 HydrophobicContact CG-CG1 4.19Å; A840-I844 VanDerWaalsContact O-CG1 3.3Å; A840-I844 WeakPolarHBondContact O-CG1 3.46Å; A840-I844 PolarHBondContact O-N 3.1Å; T841-I844 PolarHBondContact O-N 3.03Å; L842-I844 PolarHBondContact O-N 2.79Å; I844-I846 PolarHBondContact O-N 3.11Å; I844-N847 PolarHBondContact O-N 2.81Å; I844-L848 HydrophobicContact CG2-CD1 3.64Å; I844-L848 HydrophobicContact CG2-CG 4.08Å; I844-L848 VanDerWaalsContact O-CB 3.29Å; I844-L848 WeakPolarHBondContact O-CB 3.46Å; I844-L848 VanDerWaalsContact O-CG 3.23Å; I844-L848 WeakPolarHBondContact O-CG 3.4Å; I844-L848 PolarHBondContact O-N 3.19Å; I844-L967 HydrophobicContact CD1-CD1 4.46Å
845	S	93.4	Very high	93	Very high	10 Å²	10	19.5 Å²	19.5	7%	0.07	11%	0.11	C	C	.	.	H	α-helix	trans	-62.8	-39.4	178.6	-65	0	0	0	0	113	F824 T841 L842 S849	F824-S845 WeakPolarHBondContact CD2-OG 3.32Å; T841-S845 WeakPolarHBondContact O-CB 3.48Å; T841-S845 PolarHBondContact O-N 2.89Å; T841-S845 PolarHBondContact O-OG 3.19Å; T841-S845 VanDerWaalsContact O-OG 3.11Å; L842-S845 PolarHBondContact O-N 3.03Å; S845-S849 PolarHBondContact O-N 3.32Å; S845-S849 VanDerWaalsContact O-N 3.13Å; S845-S849 PolarHBondContact O-OG 3.3Å
846	I	94.4	Very high	93.4	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-64.8	-50.1	175.1	-66.4	164.2	0	0	0	110.4	C666 C669 L673 I689 F693 L842 C843 I844 L848 S849 A850	C666-I846 HydrophobicContact CB-CG2 3.71Å; C666-I846 WeakPolarHBondContact O-CG2 3.47Å; C669-I846 HydrophobicContact CB-CD1 4.49Å; C669-I846 HydrophobicContact CB-CG2 4.41Å; L673-I846 HydrophobicContact CD1-CD1 3.88Å; I689-I846 HydrophobicContact CD1-CD1 4.29Å; I689-I846 HydrophobicContact CG1-CD1 3.95Å; I689-I846 HydrophobicContact CG2-CD1 4Å; F693-I846 HydrophobicContact CE2-CG1 3.95Å; F693-I846 HydrophobicContact CZ-CB 4.19Å; F693-I846 HydrophobicContact CZ-CG1 3.75Å; F693-I846 HydrophobicContact CZ-CG2 4.24Å; L842-I846 HydrophobicContact CD1-CD1 3.81Å; L842-I846 HydrophobicContact CD1-CG1 4.24Å; L842-I846 HydrophobicContact CG-CD1 3.91Å; L842-I846 WeakPolarHBondContact O-CD1 3.44Å; L842-I846 VanDerWaalsContact O-CG1 3.26Å; L842-I846 WeakPolarHBondContact O-CG1 3Å; L842-I846 PolarHBondContact O-N 3.03Å; C843-I846 PolarHBondContact O-N 3.26Å; I844-I846 PolarHBondContact O-N 3.11Å; I846-L848 PolarHBondContact O-N 3.29Å; I846-S849 WeakPolarHBondContact O-CB 3.25Å; I846-S849 PolarHBondContact O-N 2.77Å; I846-A850 PolarHBondContact O-N 2.78Å; I846-A850 VanDerWaalsContact O-N 3.16Å
847	N	95.6	Very high	93.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65.9	-38.3	-178.2	-67.5	-23.4	0	0	0	112.3	P621 F624 Y667 C843 I844 S849 A850 S851	P621-N847 PolarHBondContact O-ND2 3.21Å; F624-N847 HydrophobicContact CD1-CB 3.37Å; F624-N847 HydrophobicContact CE1-CB 3.42Å; F624-N847 VanDerWaalsContact CE1-CB 3.42Å; Y667-N847 WeakPolarHBondContact CA-OD1 3.35Å; Y667-N847 HydrophobicContact CD1-CB 4.07Å; Y667-N847 HydrophobicContact CE1-CB 4.1Å; C843-N847 WeakPolarHBondContact O-CB 3.43Å; C843-N847 VanDerWaalsContact O-CG 3.25Å; C843-N847 PolarHBondContact O-N 2.94Å; C843-N847 PolarHBondContact O-ND2 3.27Å; I844-N847 PolarHBondContact O-N 2.81Å; N847-S849 VanDerWaalsContact C-N 3.32Å; N847-S849 PolarHBondContact O-N 2.92Å; N847-A850 PolarHBondContact O-N 2.03Å; N847-S851 WeakPolarHBondContact O-CB 3.44Å; N847-S851 PolarHBondContact O-N 3.22Å; N847-S851 PolarHBondContact O-OG 3.45Å
848	L	95	Very high	93.8	Very high	37 Å²	37	17.2 Å²	17.2	19%	0.194	10%	0.102	C	C	.	.	H	α-helix	trans	-62.3	-40.7	175.4	-77.1	173.7	0	0	0	111.4	F624 I820 I844 I846 A850 S851 V852 L960	F624-L848 HydrophobicContact CZ-CD2 4.09Å; I820-L848 HydrophobicContact CD1-CB 3.95Å; I844-L848 HydrophobicContact CG2-CD1 3.64Å; I844-L848 HydrophobicContact CG2-CG 4.08Å; I844-L848 VanDerWaalsContact O-CB 3.29Å; I844-L848 WeakPolarHBondContact O-CB 3.46Å; I844-L848 VanDerWaalsContact O-CG 3.23Å; I844-L848 WeakPolarHBondContact O-CG 3.4Å; I844-L848 PolarHBondContact O-N 3.19Å; I846-L848 PolarHBondContact O-N 3.29Å; L848-A850 PolarHBondContact O-N 2.78Å; L848-S851 WeakPolarHBondContact O-CB 3.25Å; L848-S851 PolarHBondContact O-N 2.73Å; L848-V852 WeakPolarHBondContact O-CG2 3.39Å; L848-V852 PolarHBondContact O-N 3.22Å; L848-L960 HydrophobicContact CD2-CD2 3.66Å
849	S	94.8	Very high	93.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.1	-43.7	176.2	-63.6	0	0	0	0	112	S845 I846 N847 M853	S845-S849 PolarHBondContact O-N 3.32Å; S845-S849 VanDerWaalsContact O-N 3.13Å; S845-S849 PolarHBondContact O-OG 3.3Å; I846-S849 WeakPolarHBondContact O-CB 3.25Å; I846-S849 PolarHBondContact O-N 2.77Å; N847-S849 VanDerWaalsContact C-N 3.32Å; N847-S849 PolarHBondContact O-N 2.92Å; S849-M853 PolarHBondContact O-N 3.18Å
850	A	96.8	Very high	93.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.2	-38.9	173.9	0	0	0	0	0	112.2	C663 C666 Y667 M696 I846 N847 L848 M853 L854	C663-A850 HydrophobicContact CB-CB 4.38Å; C666-A850 HydrophobicContact CB-CB 3.91Å; Y667-A850 HydrophobicContact CD1-CB 4.43Å; Y667-A850 HydrophobicContact CD2-CB 4.31Å; Y667-A850 HydrophobicContact CE1-CB 3.98Å; Y667-A850 HydrophobicContact CE2-CB 3.83Å; M696-A850 HydrophobicContact CE-CB 4.49Å; M696-A850 HydrophobicContact SD-CB 4.34Å; I846-A850 PolarHBondContact O-N 2.78Å; I846-A850 VanDerWaalsContact O-N 3.16Å; N847-A850 PolarHBondContact O-N 2.03Å; L848-A850 PolarHBondContact O-N 2.78Å; A850-M853 WeakPolarHBondContact O-CB 3.41Å; A850-M853 PolarHBondContact O-N 3.27Å; A850-L854 WeakPolarHBondContact O-CB 3.43Å; A850-L854 PolarHBondContact O-N 2.94Å
851	S	96.6	Very high	93.8	Very high	27 Å²	27	21.4 Å²	21.4	19%	0.189	12%	0.119	C	C	.	.	H	α-helix	trans	-64.6	-42	179	-61	0	0	0	0	112.4	F624 Y667 N847 L848 L854 C855	F624-S851 VanDerWaalsContact CE1-OG 3.27Å; F624-S851 WeakPolarHBondContact CE1-OG 3.32Å; F624-S851 VanDerWaalsContact CZ-OG 3.23Å; F624-S851 WeakPolarHBondContact CZ-OG 3.47Å; Y667-S851 WeakPolarHBondContact OH-CA 3.49Å; Y667-S851 PolarHBondContact OH-N 3.48Å; Y667-S851 PolarHBondContact OH-OG 2.81Å; N847-S851 WeakPolarHBondContact O-CB 3.44Å; N847-S851 PolarHBondContact O-N 3.22Å; N847-S851 PolarHBondContact O-OG 3.45Å; L848-S851 WeakPolarHBondContact O-CB 3.25Å; L848-S851 PolarHBondContact O-N 2.73Å; S851-L854 PolarHBondContact O-N 2.91Å; S851-C855 WeakPolarHBondContact O-CB 3.28Å; S851-C855 PolarHBondContact O-N 2.87Å
852	V	96.5	Very high	93.7	Very high	19 Å²	19	21.6 Å²	21.6	12%	0.115	12%	0.119	C	C	.	.	H	α-helix	trans	-62	-43.4	175.8	166.1	0	0	0	0	111.1	T813 T816 I820 L848 C856	T813-V852 HydrophobicContact CG2-CG1 4.23Å; T816-V852 HydrophobicContact CG2-CG1 4.05Å; T816-V852 HydrophobicContact CG2-CG2 3.58Å; I820-V852 HydrophobicContact CD1-CG2 3.7Å; L848-V852 WeakPolarHBondContact O-CG2 3.39Å; L848-V852 PolarHBondContact O-N 3.22Å; V852-C856 VanDerWaalsContact O-CB 3.23Å; V852-C856 WeakPolarHBondContact O-CB 3.45Å; V852-C856 PolarHBondContact O-N 3Å; V852-C856 PolarHBondContact O-SG 3.28Å
853	M	95.3	Very high	93.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.2	-47.6	175.5	-174.5	76.9	75.2	0	0	111.2	M696 Y697 L700 T813 S849 A850 L857 F858	M696-M853 HydrophobicContact CB-CE 3.88Å; M696-M853 HydrophobicContact CE-CB 3.61Å; M696-M853 HydrophobicContact CE-CE 3.65Å; M696-M853 HydrophobicContact CE-CG 4.01Å; M696-M853 HydrophobicContact CG-CE 4.46Å; Y697-M853 HydrophobicContact CD1-CE 4.04Å; Y697-M853 HydrophobicContact CE1-CE 3.81Å; L700-M853 HydrophobicContact CD2-CE 3.86Å; L700-M853 HydrophobicContact CD2-SD 4Å; T813-M853 HydrophobicContact CG2-CB 4.37Å; T813-M853 HydrophobicContact CG2-CE 4.19Å; T813-M853 HydrophobicContact CG2-SD 3.73Å; S849-M853 PolarHBondContact O-N 3.18Å; A850-M853 WeakPolarHBondContact O-CB 3.41Å; A850-M853 PolarHBondContact O-N 3.27Å; M853-L857 HydrophobicContact CG-CD1 4.31Å; M853-L857 VanDerWaalsContact O-CB 3.31Å; M853-L857 WeakPolarHBondContact O-CB 3.46Å; M853-L857 PolarHBondContact O-N 3Å; M853-L857 HydrophobicContact SD-CD1 3.26Å; M853-L857 WeakPolarHBondContact SD-CD1 3.48Å; M853-L857 HydrophobicContact SD-CG 4.02Å; M853-F858 HydrophobicContact CG-CE2 4.34Å
854	L	95.8	Very high	93.3	Very high	13 Å²	13	27.7 Å²	27.7	7%	0.068	15%	0.145	C	C	.	.	I	π-helix	trans	-64	-47.8	-179.8	-163.5	65.8	0	0	0	111.8	I631 V635 L660 A850 S851 F858 F859	I631-L854 HydrophobicContact CB-CD2 4.15Å; I631-L854 HydrophobicContact CG2-CD2 3.6Å; I631-L854 HydrophobicContact CG2-CG 4.48Å; V635-L854 HydrophobicContact CB-CD1 4.28Å; V635-L854 HydrophobicContact CG1-CD1 4.41Å; V635-L854 HydrophobicContact CG2-CD1 3.81Å; L660-L854 HydrophobicContact CD2-CD1 3.93Å; A850-L854 WeakPolarHBondContact O-CB 3.43Å; A850-L854 PolarHBondContact O-N 2.94Å; S851-L854 PolarHBondContact O-N 2.91Å; L854-F858 HydrophobicContact CD1-CB 4.25Å; L854-F858 HydrophobicContact CD1-CD2 4.27Å; L854-F858 HydrophobicContact CD1-CG 4.35Å; L854-F858 WeakPolarHBondContact O-CB 3.35Å; L854-F858 PolarHBondContact O-N 3.26Å; L854-F858 VanDerWaalsContact O-N 3.13Å; L854-F859 PolarHBondContact O-N 3.15Å
855	C	94.4	Very high	92.9	Very high	67 Å²	67	25.9 Å²	25.9	45%	0.453	14%	0.135	S	C	.	.	I	π-helix	trans	-67.6	-43.1	-178.3	-173	0	0	0	0	112.3	S851 F859 P860	S851-C855 WeakPolarHBondContact O-CB 3.28Å; S851-C855 PolarHBondContact O-N 2.87Å; C855-F859 VanDerWaalsContact O-CB 3.25Å; C855-F859 WeakPolarHBondContact O-CB 3.38Å; C855-P860 WeakPolarHBondContact O-CD 3.43Å
856	C	93.3	Very high	92.7	Very high	25 Å²	25	31.7 Å²	31.7	17%	0.169	16%	0.157	C	C	.	.	I	π-helix	trans	-83.4	-38.9	-176.4	-65.7	0	0	0	0	112.8	F809 T813 V852 P860	F809-C856 WeakPolarHBondContact CB-O 3.45Å; F809-C856 WeakPolarHBondContact CD1-O 3.31Å; F809-C856 WeakPolarHBondContact CG-O 3.45Å; T813-C856 WeakPolarHBondContact OG1-CB 3.37Å; V852-C856 VanDerWaalsContact O-CB 3.23Å; V852-C856 WeakPolarHBondContact O-CB 3.45Å; V852-C856 PolarHBondContact O-N 3Å; V852-C856 PolarHBondContact O-SG 3.28Å; C856-P860 WeakPolarHBondContact O-CD 3.38Å; C856-P860 WeakPolarHBondContact O-CG 3.41Å
857	L	92.1	Very high	92.4	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.026	19%	0.185	C	C	.	.	I	π-helix	trans	-94.6	-31.6	-173	-59.4	-166.8	0	0	0	114.7	L700 F809 I810 T813 M853 K861	L700-L857 HydrophobicContact CD1-CD1 3.81Å; L700-L857 HydrophobicContact CD2-CD1 4.4Å; F809-L857 HydrophobicContact CB-CD2 4.22Å; I810-L857 HydrophobicContact CB-CD2 4.42Å; I810-L857 HydrophobicContact CG1-CD2 3.8Å; T813-L857 WeakPolarHBondContact OG1-CD2 3.48Å; T813-L857 WeakPolarHBondContact OG1-CG 3.49Å; M853-L857 HydrophobicContact CG-CD1 4.31Å; M853-L857 VanDerWaalsContact O-CB 3.31Å; M853-L857 WeakPolarHBondContact O-CB 3.46Å; M853-L857 PolarHBondContact O-N 3Å; M853-L857 HydrophobicContact SD-CD1 3.26Å; M853-L857 WeakPolarHBondContact SD-CD1 3.48Å; M853-L857 HydrophobicContact SD-CG 4.02Å; L857-K861 WeakPolarHBondContact O-CD 3.46Å; L857-K861 VanDerWaalsContact O-CE 3.32Å; L857-K861 WeakPolarHBondContact O-CE 3.05Å
858	F	94.1	Very high	91.9	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.009	21%	0.205	C	C	.	.	I	π-helix	trans	-107	-42	-171.7	-62.1	-94.3	0	0	0	112.1	V635 W639 A656 Q659 L660 M853 L854 K861 L862	V635-F858 HydrophobicContact CG1-CB 3.95Å; V635-F858 HydrophobicContact CG1-CD1 3.78Å; V635-F858 HydrophobicContact CG1-CG 4.12Å; W639-F858 HydrophobicContact CD2-CD1 4.48Å; W639-F858 HydrophobicContact CE3-CD1 4.43Å; W639-F858 HydrophobicContact CH2-CB 4.09Å; W639-F858 AromaticContact CH2-CD1 3.43Å; W639-F858 HydrophobicContact CH2-CD1 3.43Å; W639-F858 VanDerWaalsContact CH2-CD1 3.43Å; W639-F858 HydrophobicContact CH2-CE1 4.3Å; W639-F858 HydrophobicContact CH2-CG 4.2Å; W639-F858 AromaticContact CZ2-CD1 3.48Å; W639-F858 HydrophobicContact CZ2-CD1 3.48Å; W639-F858 VanDerWaalsContact CZ2-CD1 3.48Å; W639-F858 AromaticContact CZ2-CE1 3.91Å; W639-F858 HydrophobicContact CZ2-CE1 3.91Å; W639-F858 HydrophobicContact CZ3-CB 4.41Å; W639-F858 AromaticContact CZ3-CD1 3.94Å; W639-F858 HydrophobicContact CZ3-CD1 3.94Å; A656-F858 HydrophobicContact CB-CE1 4.16Å; Q659-F858 HydrophobicContact CB-CE2 4.36Å; Q659-F858 HydrophobicContact CB-CZ 3.91Å; L660-F858 HydrophobicContact CD1-CD1 4.25Å; L660-F858 HydrophobicContact CD1-CE1 3.76Å; L660-F858 HydrophobicContact CD1-CZ 4.39Å; L660-F858 HydrophobicContact CD2-CD1 3.89Å; L660-F858 HydrophobicContact CD2-CD2 4.33Å; L660-F858 HydrophobicContact CD2-CE1 3.71Å; L660-F858 HydrophobicContact CD2-CE2 4.15Å; L660-F858 HydrophobicContact CD2-CG 4.22Å; L660-F858 HydrophobicContact CD2-CZ 3.85Å; L660-F858 HydrophobicContact CG-CD1 4.23Å; L660-F858 HydrophobicContact CG-CE1 3.6Å; L660-F858 HydrophobicContact CG-CE2 4.49Å; L660-F858 HydrophobicContact CG-CZ 3.75Å; M853-F858 HydrophobicContact CG-CE2 4.34Å; L854-F858 HydrophobicContact CD1-CB 4.25Å; L854-F858 HydrophobicContact CD1-CD2 4.27Å; L854-F858 HydrophobicContact CD1-CG 4.35Å; L854-F858 WeakPolarHBondContact O-CB 3.35Å; L854-F858 PolarHBondContact O-N 3.26Å; L854-F858 VanDerWaalsContact O-N 3.13Å; F858-K861 WeakPolarHBondContact O-CA 3.48Å; F858-K861 WeakPolarHBondContact O-CB 3.41Å; F858-K861 PolarHBondContact O-N 2.98Å; F858-L862 WeakPolarHBondContact O-CG 3.45Å; F858-L862 PolarHBondContact O-N 3.14Å
859	F	90.7	Very high	91.2	Very high	117 Å²	117	44.2 Å²	44.2	51%	0.513	22%	0.219	S	C	.	.	H	α-helix	trans	-57	-41.9	-179.2	-169	-98.3	0	0	0	114.6	L854 C855 K861 L862 Y863	L854-F859 PolarHBondContact O-N 3.15Å; C855-F859 VanDerWaalsContact O-CB 3.25Å; C855-F859 WeakPolarHBondContact O-CB 3.38Å; F859-K861 PolarHBondContact O-N 3.07Å; F859-L862 PolarHBondContact O-N 3.23Å; F859-Y863 PolarHBondContact O-N 3.4Å
860	P	90.2	Very high	90.4	Very high	26 Å²	26	47.7 Å²	47.7	17%	0.169	24%	0.235	C	C	.	.	H	α-helix	trans	-61.9	-28.9	176.1	-23.2	35.2	0	0	0	112.5	F809 C855 C856 I864	F809-P860 HydrophobicContact CD1-CG 3.82Å; F809-P860 HydrophobicContact CE1-CB 4.12Å; F809-P860 HydrophobicContact CE1-CG 3.56Å; F809-P860 HydrophobicContact CE2-CB 4.1Å; F809-P860 HydrophobicContact CE2-CG 4.28Å; F809-P860 HydrophobicContact CG-CG 4.3Å; F809-P860 HydrophobicContact CZ-CB 3.83Å; F809-P860 HydrophobicContact CZ-CG 3.82Å; C855-P860 WeakPolarHBondContact O-CD 3.43Å; C856-P860 WeakPolarHBondContact O-CD 3.38Å; C856-P860 WeakPolarHBondContact O-CG 3.41Å; P860-I864 WeakPolarHBondContact O-CD1 3.45Å; P860-I864 VanDerWaalsContact O-CG1 3.31Å; P860-I864 WeakPolarHBondContact O-CG1 3.42Å; P860-I864 PolarHBondContact O-N 2.86Å
861	K	89.4	Confident	89.4	Confident	19 Å²	19	53.1 Å²	53.1	8%	0.083	26%	0.259	C	S	.	.	H	α-helix	trans	-79.5	-40.2	177.9	-61.7	175.2	-174.6	179.2	0	111.2	W639 L647 T651 E806 L857 F858 F859 Y863 I864 I865	W639-K861 HydrophobicContact CH2-CB 3.78Å; W639-K861 HydrophobicContact CH2-CD 3.95Å; W639-K861 HydrophobicContact CH2-CG 4.49Å; W639-K861 HydrophobicContact CZ2-CB 4.49Å; W639-K861 HydrophobicContact CZ2-CD 3.91Å; L647-K861 HydrophobicContact CD2-CB 4.14Å; T651-K861 HydrophobicContact CG2-CD 4.46Å; T651-K861 WeakPolarHBondContact OG1-CE 3.39Å; T651-K861 PolarHBondContact OG1-NZ 2.84Å; E806-K861 IonicContact OE1-NZ 2.66Å; E806-K861 PolarHBondContact OE1-NZ 3.13Å; L857-K861 WeakPolarHBondContact O-CD 3.46Å; L857-K861 VanDerWaalsContact O-CE 3.32Å; L857-K861 WeakPolarHBondContact O-CE 3.05Å; F858-K861 WeakPolarHBondContact O-CA 3.48Å; F858-K861 WeakPolarHBondContact O-CB 3.41Å; F858-K861 PolarHBondContact O-N 2.98Å; F859-K861 PolarHBondContact O-N 3.07Å; K861-Y863 VanDerWaalsContact C-N 3.29Å; K861-Y863 PolarHBondContact O-N 3.45Å; K861-I864 PolarHBondContact O-N 3.18Å; K861-I864 VanDerWaalsContact O-N 3.15Å; K861-I865 WeakPolarHBondContact O-CD1 3.4Å; K861-I865 VanDerWaalsContact O-CG1 3.24Å; K861-I865 WeakPolarHBondContact O-CG1 3.19Å; K861-I865 PolarHBondContact O-N 3.47Å
862	L	90.2	Very high	88.4	Confident	26 Å²	26	52.9 Å²	52.9	14%	0.136	26%	0.256	C	S	.	.	H	α-helix	trans	-58	-44	170.8	-64.6	171.7	0	0	0	111.1	V635 T638 W639 F858 F859 I864 I865 Y866	V635-L862 HydrophobicContact CG1-CD2 4.5Å; V635-L862 HydrophobicContact CG2-CD1 3.59Å; T638-L862 HydrophobicContact CG2-CD2 3.68Å; W639-L862 HydrophobicContact CE3-CD2 4.42Å; W639-L862 HydrophobicContact CZ3-CD2 3.83Å; W639-L862 HydrophobicContact CZ3-CG 4.24Å; F858-L862 WeakPolarHBondContact O-CG 3.45Å; F858-L862 PolarHBondContact O-N 3.14Å; F859-L862 PolarHBondContact O-N 3.23Å; L862-I864 VanDerWaalsContact C-N 3.3Å; L862-I864 PolarHBondContact O-N 3.23Å; L862-I865 PolarHBondContact O-N 3.2Å; L862-I865 VanDerWaalsContact O-N 3.15Å; L862-Y866 HydrophobicContact CD2-CE2 4.37Å; L862-Y866 WeakPolarHBondContact O-CD2 3.3Å; L862-Y866 PolarHBondContact O-N 3.37Å
863	Y	89.5	Confident	87.3	Confident	101 Å²	101	54.1 Å²	54.1	40%	0.396	26%	0.263	S	S	.	.	H	α-helix	trans	-57.1	-43.4	174.7	179	-90.7	0	0	0	111.8	F859 K861 L867 R868	F859-Y863 PolarHBondContact O-N 3.4Å; K861-Y863 VanDerWaalsContact C-N 3.29Å; K861-Y863 PolarHBondContact O-N 3.45Å; Y863-L867 HydrophobicContact CD2-CB 4.23Å; Y863-L867 HydrophobicContact CD2-CD1 3.5Å; Y863-L867 VanDerWaalsContact CD2-CD1 3.5Å; Y863-L867 HydrophobicContact CD2-CG 4.39Å; Y863-L867 HydrophobicContact CE2-CB 4.06Å; Y863-L867 HydrophobicContact CE2-CD1 3.48Å; Y863-L867 VanDerWaalsContact CE2-CD1 3.48Å; Y863-L867 HydrophobicContact CE2-CG 4.41Å; Y863-L867 HydrophobicContact CG-CD1 4.5Å; Y863-L867 WeakPolarHBondContact O-CA 3.46Å; Y863-L867 WeakPolarHBondContact O-CB 3.49Å; Y863-L867 PolarHBondContact O-N 3.05Å; Y863-R868 HydrophobicContact CD1-CG 4.42Å; Y863-R868 HydrophobicContact CE1-CG 3.66Å; Y863-R868 PolarHBondContact O-N 3.31Å
864	I	86.8	Confident	85.6	Confident	40 Å²	40	62.9 Å²	62.9	21%	0.205	30%	0.296	C	S	.	.	H	α-helix	trans	-67.2	-40.8	176.2	-67.3	164.7	0	0	0	111.5	L647 P860 K861 L862 R868 K871 N872	L647-I864 HydrophobicContact CD2-CB 3.92Å; L647-I864 HydrophobicContact CD2-CG2 3.71Å; P860-I864 WeakPolarHBondContact O-CD1 3.45Å; P860-I864 VanDerWaalsContact O-CG1 3.31Å; P860-I864 WeakPolarHBondContact O-CG1 3.42Å; P860-I864 PolarHBondContact O-N 2.86Å; K861-I864 PolarHBondContact O-N 3.18Å; K861-I864 VanDerWaalsContact O-N 3.15Å; L862-I864 VanDerWaalsContact C-N 3.3Å; L862-I864 PolarHBondContact O-N 3.23Å; I864-R868 CarbonylContact O-C 3.55Å; I864-R868 PolarHBondContact O-N 2.64Å; I864-K871 HydrophobicContact CG2-CB 3.95Å; I864-N872 HydrophobicContact CG2-CB 4.38Å
865	I	86.8	Confident	83.5	Confident	8 Å²	8	70.5 Å²	70.5	4%	0.041	32%	0.324	C	S	.	.	H	α-helix	trans	-64.6	-48.7	-178.6	-69.2	159.7	0	0	0	111.1	T638 Y642 L647 I648 K861 L862	T638-I865 HydrophobicContact CG2-CD1 4.2Å; T638-I865 HydrophobicContact CG2-CG2 4.26Å; Y642-I865 HydrophobicContact CD1-CG2 3.98Å; Y642-I865 HydrophobicContact CD2-CG2 3.82Å; Y642-I865 HydrophobicContact CE1-CG2 4.08Å; Y642-I865 HydrophobicContact CE2-CG2 3.93Å; Y642-I865 HydrophobicContact CG-CG2 3.84Å; L647-I865 HydrophobicContact CD2-CD1 4.45Å; L647-I865 HydrophobicContact CD2-CG1 4.01Å; I648-I865 HydrophobicContact CD1-CD1 3.71Å; I648-I865 HydrophobicContact CG1-CD1 4.04Å; K861-I865 WeakPolarHBondContact O-CD1 3.4Å; K861-I865 VanDerWaalsContact O-CG1 3.24Å; K861-I865 WeakPolarHBondContact O-CG1 3.19Å; K861-I865 PolarHBondContact O-N 3.47Å; L862-I865 PolarHBondContact O-N 3.2Å; L862-I865 VanDerWaalsContact O-N 3.15Å
866	Y	88.6	Confident	81.1	Confident	132 Å²	132	75.6 Å²	75.6	52%	0.518	35%	0.346	S	S	.	.	H	α-helix	trans	-90.2	-42.3	-172.8	-73.5	-70.8	0	0	0	114.1	T638 Y642 L862	T638-Y866 HydrophobicContact CG2-CE2 3.72Å; T638-Y866 PolarHBondContact OG1-OH 2.85Å; Y642-Y866 HydrophobicContact CE2-CE1 4.37Å; L862-Y866 HydrophobicContact CD2-CE2 4.37Å; L862-Y866 WeakPolarHBondContact O-CD2 3.3Å; L862-Y866 PolarHBondContact O-N 3.37Å
867	L	87.5	Confident	78.6	Confident	115 Å²	115	78 Å²	78	60%	0.602	36%	0.36	S	S	*	.	H	α-helix	trans	-103	-21.2	-169.3	-63.7	175.6	0	0	0	113.8	Y863	Y863-L867 HydrophobicContact CD2-CB 4.23Å; Y863-L867 HydrophobicContact CD2-CD1 3.5Å; Y863-L867 VanDerWaalsContact CD2-CD1 3.5Å; Y863-L867 HydrophobicContact CD2-CG 4.39Å; Y863-L867 HydrophobicContact CE2-CB 4.06Å; Y863-L867 HydrophobicContact CE2-CD1 3.48Å; Y863-L867 VanDerWaalsContact CE2-CD1 3.48Å; Y863-L867 HydrophobicContact CE2-CG 4.41Å; Y863-L867 HydrophobicContact CG-CD1 4.5Å; Y863-L867 WeakPolarHBondContact O-CA 3.46Å; Y863-L867 WeakPolarHBondContact O-CB 3.49Å; Y863-L867 PolarHBondContact O-N 3.05Å
868	R	85.4	Confident	76.2	Confident	109 Å²	109	81.8 Å²	81.8	41%	0.411	38%	0.379	S	S	.	.			trans	-136.4	56.7	179.9	-58.2	-63.6	-75.7	-158.4	-0.5	112.2	Y863 I864 E870 K871	Y863-R868 HydrophobicContact CD1-CG 4.42Å; Y863-R868 HydrophobicContact CE1-CG 3.66Å; Y863-R868 PolarHBondContact O-N 3.31Å; I864-R868 CarbonylContact O-C 3.55Å; I864-R868 PolarHBondContact O-N 2.64Å; R868-E870 WeakPolarHBondContact CA-OE2 3.16Å; R868-E870 WeakPolarHBondContact CD-OE1 3.43Å; R868-E870 IonicContact CZ-OE1 3.66Å; R868-E870 IonicContact NE-OE1 3.65Å; R868-E870 PolarHBondContact NE-OE1 2.8Å; R868-E870 IonicContact NH2-OE1 3.29Å; R868-E870 PolarHBondContact NH2-OE1 3.32Å; R868-E870 PolarHBondContact O-N 3.48Å; R868-E870 VanDerWaalsContact O-N 3.08Å; R868-K871 HydrophobicContact CB-CD 4.24Å; R868-K871 HydrophobicContact CB-CG 4.41Å; R868-K871 WeakPolarHBondContact O-CB 3.49Å; R868-K871 PolarHBondContact O-N 3.06Å
869	P	81.2	Confident	73.7	Confident	77 Å²	77	89.4 Å²	89.4	50%	0.5	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-60.3	-21.9	-175.9	27	-35.6	0	0	0	112.7	K871 N872	P869-K871 PolarHBondContact O-N 3.34Å; P869-N872 WeakPolarHBondContact O-CA 3.21Å; P869-N872 VanDerWaalsContact O-CB 3.22Å; P869-N872 WeakPolarHBondContact O-CB 3.31Å; P869-N872 PolarHBondContact O-N 3.21Å
870	E	77	Confident	71.6	Confident	73 Å²	73	88.6 Å²	88.6	34%	0.341	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-63.3	-21.6	174.6	77.9	-71.8	171.4	0	0	113.4	R868 N872 V873	R868-E870 WeakPolarHBondContact CA-OE2 3.16Å; R868-E870 WeakPolarHBondContact CD-OE1 3.43Å; R868-E870 IonicContact CZ-OE1 3.66Å; R868-E870 IonicContact NE-OE1 3.65Å; R868-E870 PolarHBondContact NE-OE1 2.8Å; R868-E870 IonicContact NH2-OE1 3.29Å; R868-E870 PolarHBondContact NH2-OE1 3.32Å; R868-E870 PolarHBondContact O-N 3.48Å; R868-E870 VanDerWaalsContact O-N 3.08Å; E870-N872 VanDerWaalsContact C-N 3.34Å; E870-V873 WeakPolarHBondContact O-CG2 3.15Å
871	K	76	Confident	69.7	Low	115 Å²	115	94.8 Å²	94.8	50%	0.5	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-84.2	-10.2	173	-64.9	-176.9	-179.4	180	0	112.6	I864 R868 P869 V873	I864-K871 HydrophobicContact CG2-CB 3.95Å; R868-K871 HydrophobicContact CB-CD 4.24Å; R868-K871 HydrophobicContact CB-CG 4.41Å; R868-K871 WeakPolarHBondContact O-CB 3.49Å; R868-K871 PolarHBondContact O-N 3.06Å; P869-K871 PolarHBondContact O-N 3.34Å; K871-V873 PolarHBondContact O-N 3.31Å; K871-V873 VanDerWaalsContact O-N 3.09Å
872	N	75.4	Confident	67.8	Low	22 Å²	22	98 Å²	98	12%	0.118	47%	0.471	C	S	.	.	S	Bend	trans	-84.7	44	179.4	-164.7	8.7	0	0	0	112.3	T645 P646 L647 I864 P869 E870	T645-N872 WeakPolarHBondContact CB-ND2 3.35Å; T645-N872 WeakPolarHBondContact CG2-ND2 3.49Å; P646-N872 WeakPolarHBondContact CG-O 3.41Å; L647-N872 WeakPolarHBondContact CB-OD1 3.28Å; L647-N872 PolarHBondContact N-OD1 2.97Å; I864-N872 HydrophobicContact CG2-CB 4.38Å; P869-N872 WeakPolarHBondContact O-CA 3.21Å; P869-N872 VanDerWaalsContact O-CB 3.22Å; P869-N872 WeakPolarHBondContact O-CB 3.31Å; P869-N872 PolarHBondContact O-N 3.21Å; E870-N872 VanDerWaalsContact C-N 3.34Å
873	V	74.7	Confident	65.9	Low	45 Å²	45	97.8 Å²	97.8	27%	0.273	47%	0.473	S	S	.	.	S	Bend	trans	-124.2	150.7	179.5	-65.8	0	0	0	0	110.7	E870 K871 R875 F887	E870-V873 WeakPolarHBondContact O-CG2 3.15Å; K871-V873 PolarHBondContact O-N 3.31Å; K871-V873 VanDerWaalsContact O-N 3.09Å; V873-R875 PolarHBondContact O-N 2.91Å; V873-F887 HydrophobicContact CG1-CE2 4.45Å
874	R	58.5	Low	63.9	Low	183 Å²	183	99.4 Å²	99.4	69%	0.691	48%	0.481	S	S	*	.			trans	-65.4	107.1	175.2	-76.9	-176.3	175.5	175.5	-1.1	109.4	P646 L876 T877	P646-R874 HydrophobicContact CB-CG 3.76Å; R874-L876 PolarHBondContact O-N 3.24Å; R874-T877 PolarHBondContact O-N 3.41Å; R874-T877 PolarHBondContact O-OG1 2.67Å
875	R	51.3	Low	62.5	Low	173 Å²	173	103.3 Å²	103.3	65%	0.653	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-57.7	-9	-176.2	-92.1	-171.4	171.5	-165.6	-4.2	116.6	V873 T877 M878	V873-R875 PolarHBondContact O-N 2.91Å; R875-T877 PolarHBondContact O-N 3.33Å; R875-M878 PolarHBondContact O-N 3.01Å
876	L	44.9	Very low	60.8	Low	174 Å²	174	110.1 Å²	110.1	91%	0.911	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-65.9	-1.2	167	-73.6	168.5	0	0	0	113.8	R874	R874-L876 PolarHBondContact O-N 3.24Å
877	T	40.5	Very low	59	Low	77 Å²	77	108 Å²	108	47%	0.472	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-104.3	3	172.1	45.7	0	0	0	0	114.8	R874 R875 A883	R874-T877 PolarHBondContact O-N 3.41Å; R874-T877 PolarHBondContact O-OG1 2.67Å; R875-T877 PolarHBondContact O-N 3.33Å; T877-A883 WeakPolarHBondContact O-CB 3.43Å
878	M	40.9	Very low	57.5	Low	84 Å²	84	105.1 Å²	105.1	41%	0.414	52%	0.515	S	S	.	.	S	Bend	trans	-97.1	-11.7	176.7	-76.1	-147.3	152.4	0	0	115.5	R875	R875-M878 PolarHBondContact O-N 3.01Å
879	N	42.9	Very low	56	Low	161 Å²	161	104.1 Å²	104.1	86%	0.861	52%	0.517	S	S	*	.	S	Bend	trans	-93.6	-0.9	176.3	-78.6	8.6	0	0	0	114.1
880	N	45.4	Very low	54.6	Low	101 Å²	101	104.4 Å²	104.4	54%	0.54	51%	0.514	S	S	.	.			trans	-91.8	119.4	167.6	-124.1	-4.8	0	0	0	108.6	T882 A883 K884	N880-T882 VanDerWaalsContact CG-OG1 3.28Å; N880-T882 PolarHBondContact ND2-OG1 2.94Å; N880-T882 PolarHBondContact O-N 3.27Å; N880-T882 PolarHBondContact OD1-OG1 3.07Å; N880-A883 HydrophobicContact CB-CB 3.96Å; N880-A883 WeakPolarHBondContact O-CA 3.15Å; N880-A883 WeakPolarHBondContact O-CB 3.27Å; N880-A883 PolarHBondContact O-N 3.3Å; N880-K884 PolarHBondContact O-N 3.48Å; N880-K884 VanDerWaalsContact O-N 3.11Å
881	M	50.4	Low	53.6	Low	155 Å²	155	105.2 Å²	105.2	76%	0.764	52%	0.524	S	S	*	.	H	α-helix	trans	-51.6	-36.2	170.5	-92.6	170.6	40.3	0	0	111.2	A883 K884 Q885	M881-A883 VanDerWaalsContact C-N 3.28Å; M881-A883 PolarHBondContact O-N 3.32Å; M881-K884 PolarHBondContact O-N 3.17Å; M881-Q885 PolarHBondContact O-N 3.08Å
882	T	50.9	Low	52.4	Low	88 Å²	88	106.9 Å²	106.9	54%	0.54	53%	0.531	S	S	.	.	H	α-helix	trans	-59.8	-32.6	172.8	14.1	0	0	0	0	113.6	N880 K886	N880-T882 VanDerWaalsContact CG-OG1 3.28Å; N880-T882 PolarHBondContact ND2-OG1 2.94Å; N880-T882 PolarHBondContact O-N 3.27Å; N880-T882 PolarHBondContact OD1-OG1 3.07Å; T882-K886 WeakPolarHBondContact O-CB 3.47Å; T882-K886 PolarHBondContact O-N 3.45Å
883	A	49.6	Very low	51	Low	21 Å²	21	110.8 Å²	110.8	17%	0.174	55%	0.549	C	S	.	.	H	α-helix	trans	-86	-30.5	179.5	0	0	0	0	0	112.6	T877 N880 M881 K886 F887	T877-A883 WeakPolarHBondContact O-CB 3.43Å; N880-A883 HydrophobicContact CB-CB 3.96Å; N880-A883 WeakPolarHBondContact O-CA 3.15Å; N880-A883 WeakPolarHBondContact O-CB 3.27Å; N880-A883 PolarHBondContact O-N 3.3Å; M881-A883 VanDerWaalsContact C-N 3.28Å; M881-A883 PolarHBondContact O-N 3.32Å; A883-K886 PolarHBondContact O-N 3.24Å; A883-F887 WeakPolarHBondContact O-CB 3.32Å; A883-F887 PolarHBondContact O-N 2.79Å
884	K	48.2	Very low	49.5	Very low	134 Å²	134	116.1 Å²	116.1	58%	0.583	57%	0.568	S	S	*	*	H	α-helix	trans	-63.3	-43.6	165.1	-90	-174.9	177.9	178.2	0	111.5	N880 M881 F887 A888	N880-K884 PolarHBondContact O-N 3.48Å; N880-K884 VanDerWaalsContact O-N 3.11Å; M881-K884 PolarHBondContact O-N 3.17Å; K884-F887 PolarHBondContact O-N 3.36Å; K884-A888 VanDerWaalsContact O-CB 3.31Å; K884-A888 WeakPolarHBondContact O-CB 3.38Å; K884-A888 PolarHBondContact O-N 3.08Å
885	Q	55.7	Low	48.8	Very low	122 Å²	122	111.4 Å²	111.4	57%	0.57	56%	0.564	S	S	*	*	H	α-helix	trans	-64.2	-41.8	172.2	-93.3	171.3	-30.7	0	0	111.6	M881 F887 A888 N889	M881-Q885 PolarHBondContact O-N 3.08Å; Q885-F887 VanDerWaalsContact C-N 3.35Å; Q885-F887 PolarHBondContact O-N 2.86Å; Q885-A888 PolarHBondContact O-N 3.38Å; Q885-N889 WeakPolarHBondContact O-CB 3Å; Q885-N889 PolarHBondContact O-N 3.42Å; Q885-N889 PolarHBondContact O-OD1 3.27Å
886	K	52	Low	48.4	Very low	151 Å²	151	105.9 Å²	105.9	66%	0.657	56%	0.555	S	S	*	*	H	α-helix	trans	-61.5	-39.6	174	-111.6	178.6	176.9	178.8	0	112.7	T882 A883 L890	T882-K886 WeakPolarHBondContact O-CB 3.47Å; T882-K886 PolarHBondContact O-N 3.45Å; A883-K886 PolarHBondContact O-N 3.24Å; K886-L890 VanDerWaalsContact O-CB 3.26Å; K886-L890 WeakPolarHBondContact O-CB 3.47Å; K886-L890 WeakPolarHBondContact O-CD1 3.46Å; K886-L890 PolarHBondContact O-N 3.08Å
887	F	51.5	Low	48	Very low	89 Å²	89	101.5 Å²	101.5	39%	0.39	53%	0.532	S	S	.	.	H	α-helix	trans	-73	-39.3	177.7	-140	-84.2	0	0	0	111.9	V873 A883 K884 Q885 N889 L890 V891	V873-F887 HydrophobicContact CG1-CE2 4.45Å; A883-F887 WeakPolarHBondContact O-CB 3.32Å; A883-F887 PolarHBondContact O-N 2.79Å; K884-F887 PolarHBondContact O-N 3.36Å; Q885-F887 VanDerWaalsContact C-N 3.35Å; Q885-F887 PolarHBondContact O-N 2.86Å; F887-N889 VanDerWaalsContact C-N 3.32Å; F887-L890 PolarHBondContact O-N 3.21Å; F887-V891 HydrophobicContact CD1-CG2 4.15Å; F887-V891 HydrophobicContact CE1-CG2 4.4Å; F887-V891 VanDerWaalsContact O-CG2 3.3Å; F887-V891 WeakPolarHBondContact O-CG2 3.01Å; F887-V891 PolarHBondContact O-N 3.19Å
888	A	54.8	Low	47.7	Very low	54 Å²	54	105.1 Å²	105.1	45%	0.446	55%	0.548	S	S	.	.	H	α-helix	trans	-64.1	-38.3	172.5	0	0	0	0	0	111.6	K884 Q885 V891 K892	K884-A888 VanDerWaalsContact O-CB 3.31Å; K884-A888 WeakPolarHBondContact O-CB 3.38Å; K884-A888 PolarHBondContact O-N 3.08Å; Q885-A888 PolarHBondContact O-N 3.38Å; A888-V891 PolarHBondContact O-N 3.12Å; A888-K892 WeakPolarHBondContact O-CB 3.34Å; A888-K892 WeakPolarHBondContact O-CG 3.35Å; A888-K892 PolarHBondContact O-N 3.22Å
889	N	53.9	Low	47.7	Very low	88 Å²	88	106.8 Å²	106.8	47%	0.471	56%	0.563	S	S	.	*	H	α-helix	trans	-70.3	-37	173.6	-71	-2.8	0	0	0	111.5	Q885 F887 K892 E893	Q885-N889 WeakPolarHBondContact O-CB 3Å; Q885-N889 PolarHBondContact O-N 3.42Å; Q885-N889 PolarHBondContact O-OD1 3.27Å; F887-N889 VanDerWaalsContact C-N 3.32Å; N889-K892 CarbonylContact O-C 3.41Å; N889-K892 PolarHBondContact O-N 3.11Å; N889-E893 WeakPolarHBondContact O-CA 3.21Å; N889-E893 WeakPolarHBondContact O-CB 3.45Å; N889-E893 PolarHBondContact O-N 2.87Å
890	L	52.9	Low	47	Very low	82 Å²	82	104 Å²	104	43%	0.429	55%	0.554	S	S	.	*	H	α-helix	trans	-68.9	-32.2	174.2	-97.9	149.9	0	0	0	112.9	K886 F887 K894	K886-L890 VanDerWaalsContact O-CB 3.26Å; K886-L890 WeakPolarHBondContact O-CB 3.47Å; K886-L890 WeakPolarHBondContact O-CD1 3.46Å; K886-L890 PolarHBondContact O-N 3.08Å; F887-L890 PolarHBondContact O-N 3.21Å; L890-K894 WeakPolarHBondContact O-CB 3.49Å; L890-K894 WeakPolarHBondContact O-CG 3.31Å; L890-K894 PolarHBondContact O-N 3.21Å
891	V	56	Low	46.4	Very low	91 Å²	91	105.2 Å²	105.2	55%	0.552	57%	0.565	S	S	*	*	H	α-helix	trans	-74.6	-39.9	172.5	173.5	0	0	0	0	110.2	F887 A888 K894 S895	F887-V891 HydrophobicContact CD1-CG2 4.15Å; F887-V891 HydrophobicContact CE1-CG2 4.4Å; F887-V891 VanDerWaalsContact O-CG2 3.3Å; F887-V891 WeakPolarHBondContact O-CG2 3.01Å; F887-V891 PolarHBondContact O-N 3.19Å; A888-V891 PolarHBondContact O-N 3.12Å; V891-K894 PolarHBondContact O-N 3.36Å; V891-S895 PolarHBondContact O-N 2.84Å; V891-S895 PolarHBondContact O-OG 3.41Å; V891-S895 VanDerWaalsContact O-OG 3.13Å
892	K	49.3	Very low	45.3	Very low	150 Å²	150	102.9 Å²	102.9	65%	0.652	56%	0.564	S	S	*	*	H	α-helix	trans	-64.1	-39.5	171.2	-83.5	-175.5	173.7	-175.6	0	112.5	A888 N889 S895 A896	A888-K892 WeakPolarHBondContact O-CB 3.34Å; A888-K892 WeakPolarHBondContact O-CG 3.35Å; A888-K892 PolarHBondContact O-N 3.22Å; N889-K892 CarbonylContact O-C 3.41Å; N889-K892 PolarHBondContact O-N 3.11Å; K892-S895 VanDerWaalsContact CA-OG 3.3Å; K892-S895 WeakPolarHBondContact CA-OG 2.97Å; K892-S895 CarbonylContact O-C 3.53Å; K892-S895 PolarHBondContact O-N 3.39Å; K892-S895 PolarHBondContact O-OG 3.25Å; K892-A896 WeakPolarHBondContact O-CB 3.19Å; K892-A896 PolarHBondContact O-N 3.47Å
893	E	46.6	Very low	44.2	Very low	104 Å²	104	105.8 Å²	105.8	49%	0.486	58%	0.577	S	S	.	*	H	α-helix	trans	-68.3	-39.7	174.2	-94.7	-178.6	152.9	0	0	110.5	N889 S895 A896 I897	N889-E893 WeakPolarHBondContact O-CA 3.21Å; N889-E893 WeakPolarHBondContact O-CB 3.45Å; N889-E893 PolarHBondContact O-N 2.87Å; E893-S895 VanDerWaalsContact C-N 3.29Å; E893-S895 PolarHBondContact O-N 2.82Å; E893-A896 CarbonylContact O-C 3.59Å; E893-A896 PolarHBondContact O-N 3.36Å; E893-I897 HydrophobicContact CB-CD1 3.76Å; E893-I897 HydrophobicContact CB-CG1 4.42Å; E893-I897 HydrophobicContact CG-CD1 4.14Å; E893-I897 WeakPolarHBondContact O-CA 3.31Å; E893-I897 WeakPolarHBondContact O-CB 3.46Å; E893-I897 WeakPolarHBondContact O-CD1 3.43Å; E893-I897 WeakPolarHBondContact O-CG1 3.41Å; E893-I897 PolarHBondContact O-N 2.85Å
894	K	42.8	Very low	43	Very low	156 Å²	156	114.7 Å²	114.7	68%	0.678	61%	0.607	S	S	*	*	H	α-helix	trans	-69.5	-25.6	173.8	-78.9	-173.2	175.6	-170.6	0	113.6	L890 V891	L890-K894 WeakPolarHBondContact O-CB 3.49Å; L890-K894 WeakPolarHBondContact O-CG 3.31Å; L890-K894 PolarHBondContact O-N 3.21Å; V891-K894 PolarHBondContact O-N 3.36Å
895	S	43.7	Very low	41.9	Very low	85 Å²	85	113.6 Å²	113.6	59%	0.594	61%	0.612	S	S	*	*	H	α-helix	trans	-76.9	-19.9	166.4	51.1	0	0	0	0	113.8	V891 K892 E893	V891-S895 PolarHBondContact O-N 2.84Å; V891-S895 PolarHBondContact O-OG 3.41Å; V891-S895 VanDerWaalsContact O-OG 3.13Å; K892-S895 VanDerWaalsContact CA-OG 3.3Å; K892-S895 WeakPolarHBondContact CA-OG 2.97Å; K892-S895 CarbonylContact O-C 3.53Å; K892-S895 PolarHBondContact O-N 3.39Å; K892-S895 PolarHBondContact O-OG 3.25Å; E893-S895 VanDerWaalsContact C-N 3.29Å; E893-S895 PolarHBondContact O-N 2.82Å
896	A	44.4	Very low	40.5	Very low	57 Å²	57	112.6 Å²	112.6	47%	0.471	62%	0.618	S	S	.	*	H	α-helix	trans	-99.5	-20	177.1	0	0	0	0	0	114.1	K892 E893 N898 V899	K892-A896 WeakPolarHBondContact O-CB 3.19Å; K892-A896 PolarHBondContact O-N 3.47Å; E893-A896 CarbonylContact O-C 3.59Å; E893-A896 PolarHBondContact O-N 3.36Å; A896-N898 VanDerWaalsContact C-N 3.33Å; A896-V899 VanDerWaalsContact O-CB 3.29Å; A896-V899 WeakPolarHBondContact O-CB 3.25Å; A896-V899 PolarHBondContact O-N 2.96Å
897	I	36.6	Very low	39.3	Very low	82 Å²	82	111.7 Å²	111.7	42%	0.421	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89	-6.3	-178.4	-68.6	168.8	0	0	0	111.1	E893 V899 C900 V901	E893-I897 HydrophobicContact CB-CD1 3.76Å; E893-I897 HydrophobicContact CB-CG1 4.42Å; E893-I897 HydrophobicContact CG-CD1 4.14Å; E893-I897 WeakPolarHBondContact O-CA 3.31Å; E893-I897 WeakPolarHBondContact O-CB 3.46Å; E893-I897 WeakPolarHBondContact O-CD1 3.43Å; E893-I897 WeakPolarHBondContact O-CG1 3.41Å; E893-I897 PolarHBondContact O-N 2.85Å; I897-V899 PolarHBondContact O-N 2.83Å; I897-V899 VanDerWaalsContact O-N 3.14Å; I897-C900 PolarHBondContact O-N 3.45Å; I897-V901 HydrophobicContact CG2-CG2 4.48Å
898	N	33.6	Very low	37.9	Very low	153 Å²	153	113.8 Å²	113.8	82%	0.818	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-2.3	152.7	-80.8	-1.4	0	0	0	112.9	A896	A896-N898 VanDerWaalsContact C-N 3.33Å
899	V	40.6	Very low	36.5	Very low	119 Å²	119	117 Å²	117	72%	0.721	65%	0.65	S	S	*	*	S	Bend	trans	-110.2	-16.3	176.1	-175.9	0	0	0	0	114	A896 I897	A896-V899 VanDerWaalsContact O-CB 3.29Å; A896-V899 WeakPolarHBondContact O-CB 3.25Å; A896-V899 PolarHBondContact O-N 2.96Å; I897-V899 PolarHBondContact O-N 2.83Å; I897-V899 VanDerWaalsContact O-N 3.14Å
900	C	27.5	Very low	35	Very low	101 Å²	101	117 Å²	117	68%	0.682	66%	0.657	S	S	*	*			trans	-140.9	65.9	-175.5	-62.3	0	0	0	0	113.7	I897	I897-C900 PolarHBondContact O-N 3.45Å
901	V	32.9	Very low	33.6	Very low	127 Å²	127	120.2 Å²	120.2	77%	0.77	67%	0.674	S	S	*	*			trans	-105.5	85.1	148.8	177.9	0	0	0	0	106.5	I897	I897-V901 HydrophobicContact CG2-CG2 4.48Å
902	S	28.1	Very low	31.9	Very low	106 Å²	106	121.2 Å²	121.2	74%	0.741	68%	0.68	S	S	*	*			trans	-154.7	121.7	161.3	-71.2	0	0	0	0	107.2
903	N	26.6	Very low	30.7	Very low	150 Å²	150	119.8 Å²	119.8	80%	0.802	68%	0.684	S	S	*	*			trans	93.1	95.1	169.8	-59.5	-11.9	0	0	0	119.9
904	Y	26.1	Very low	29.5	Very low	207 Å²	207	119.3 Å²	119.3	81%	0.812	69%	0.692	S	S	*	*				60.8	125.9	113	-89	-95.4	0	0	0	122.9
905	T	24.3	Very low	28.5	Very low	112 Å²	112	117 Å²	117	69%	0.687	70%	0.695	S	S	*	*			trans	78.2	123.2	137.2	42.3	0	0	0	0	124.7
906	S	26.4	Very low	27.5	Very low	100 Å²	100	117.4 Å²	117.4	70%	0.699	70%	0.698	S	S	*	*				86.6	128.1	126.5	-61.3	0	0	0	0	122.8
907	D	26.1	Very low	26.5	Very low	133 Å²	133	120.1 Å²	120.1	71%	0.711	71%	0.709	S	S	*	*			trans	84.1	109	137.4	-72	-20.7	0	0	0	123
908	N	23.8	Very low	25.8	Very low	133 Å²	133	125 Å²	125	71%	0.711	73%	0.728	S	S	*	*				70.9	129.2	115.6	-76.5	-21.5	0	0	0	123
909	T	24	Very low	25.2	Very low	120 Å²	120	123.7 Å²	123.7	74%	0.736	73%	0.725	S	S	*	*			trans	77	112.6	139.2	34.3	0	0	0	0	121.9
910	S	23.2	Very low	24.4	Very low	88 Å²	88	121.4 Å²	121.4	62%	0.615	73%	0.725	S	S	*	*				93.6	134.6	110.2	82.8	0	0	0	0	120.2
911	L	22.6	Very low	24.1	Very low	151 Å²	151	124.5 Å²	124.5	79%	0.791	73%	0.734	S	S	*	*			trans	64.3	145.3	136.9	-62.8	160.8	0	0	0	115.8
912	T	21.8	Very low	23.6	Very low	111 Å²	111	126.4 Å²	126.4	68%	0.681	74%	0.735	S	S	*	*			cis	180	165.4	8.6	11.3	0	0	0	0	108.1
913	V	22.1	Very low	23.3	Very low	120 Å²	120	125.9 Å²	125.9	73%	0.727	73%	0.727	S	S	*	*			trans	76.8	104.5	136.3	164.6	0	0	0	0	119.5
914	S	22	Very low	23.1	Very low	94 Å²	94	125.6 Å²	125.6	66%	0.657	73%	0.726	S	S	*	*				86	128.1	111.9	-52.1	0	0	0	0	122.8
915	S	22.1	Very low	23	Very low	107 Å²	107	120.1 Å²	120.1	75%	0.748	72%	0.718	S	S	*	*				97.5	140.8	126.4	83.3	0	0	0	0	119.8
916	S	22.8	Very low	23	Very low	95 Å²	95	120.8 Å²	120.8	66%	0.664	72%	0.717	S	S	*	*			trans	99	100.1	134.1	-57.6	0	0	0	0	120.3
917	T	22.5	Very low	22.8	Very low	114 Å²	114	124.4 Å²	124.4	70%	0.699	72%	0.72	S	S	*	*				71.9	140.8	117.6	-13.9	0	0	0	0	122.6
918	K	22.5	Very low	22.6	Very low	185 Å²	185	121.1 Å²	121.1	80%	0.804	72%	0.718	S	S	*	*			trans	73.9	150.3	141.6	-92.7	167.3	-175.1	-172.1	0	116.4
919	T	22	Very low	22.5	Very low	125 Å²	125	122.2 Å²	122.2	77%	0.767	72%	0.722	S	S	*	*			cis	178.9	151.8	-16.4	17.4	0	0	0	0	104.7
920	G	22.1	Very low	22.4	Very low	70 Å²	70	123.5 Å²	123.5	72%	0.722	72%	0.723	S	S	*	*			trans	67.7	113.4	147.8	0	0	0	0	0	117.8
921	L	22.8	Very low	22.3	Very low	167 Å²	167	125.1 Å²	125.1	87%	0.874	73%	0.73	S	S	*	*				69.9	145.5	77.8	-123.6	106.7	0	0	0	115.9
922	Q	21.8	Very low	22.6	Very low	166 Å²	166	123.1 Å²	123.1	78%	0.776	73%	0.729	S	S	*	*			trans	78.9	146	171.3	-85.7	165.3	-56.8	0	0	117.8
923	T	22.2	Very low	22.8	Very low	96 Å²	96	123.9 Å²	123.9	59%	0.589	74%	0.736	S	S	*	*			cis	-179.3	166.7	-22	26.3	0	0	0	0	103
924	D	22.1	Very low	22.7	Very low	143 Å²	143	121.4 Å²	121.4	77%	0.765	73%	0.734	S	S	*	*			trans	71.9	153.3	153.4	-68.5	-42.3	0	0	0	116.6
925	S	23	Very low	22.8	Very low	92 Å²	92	125 Å²	125	64%	0.643	75%	0.746	S	S	*	*			cis	-177.4	-176.7	-16.1	-100.1	0	0	0	0	103
926	D	24.5	Very low	22.9	Very low	126 Å²	126	124.9 Å²	124.9	67%	0.674	74%	0.743	S	S	*	*			trans	84.2	139.9	168.5	-70.3	-6.5	0	0	0	116.2
927	K	22.3	Very low	22.9	Very low	177 Å²	177	126.5 Å²	126.5	77%	0.77	75%	0.749	S	S	*	*			cis	-177.5	160.6	-11.7	-114.4	169.3	-166.8	136.2	0	105.4
928	G	22.8	Very low	22.9	Very low	64 Å²	64	130.4 Å²	130.4	66%	0.66	76%	0.759	S	S	*	*			trans	93.7	97.6	150.2	0	0	0	0	0	114.7
929	I	21.3	Very low	23.1	Very low	156 Å²	156	127.1 Å²	127.1	80%	0.8	76%	0.759	S	S	*	*				83.4	127.1	63.4	-64	174.4	0	0	0	113.7
930	L	22.1	Very low	23.2	Very low	146 Å²	146	126.8 Å²	126.8	76%	0.764	76%	0.757	S	S	*	*			trans	95.6	108.5	154.1	-107.5	94.5	0	0	0	121.6
931	T	21.8	Very low	23.5	Very low	122 Å²	122	130 Å²	130	75%	0.748	76%	0.763	S	S	*	*				85.2	118.1	129.8	48.4	0	0	0	0	123.4
932	S	27.9	Very low	23.8	Very low	110 Å²	110	127.3 Å²	127.3	77%	0.769	75%	0.753	S	S	*	*			trans	-61.8	153.8	158.2	-158.1	0	0	0	0	111.5
933	P	25.2	Very low	24.3	Very low	127 Å²	127	126.1 Å²	126.1	83%	0.825	75%	0.752	S	S	*	*				-146.4	157.1	76.3	36	-16.6	0	0	0	116.5
934	G	21.2	Very low	25	Very low	68 Å²	68	126.7 Å²	126.7	70%	0.701	76%	0.756	S	S	*	*			trans	93.4	108.1	142	0	0	0	0	0	117.7
935	N	22.8	Very low	25.6	Very low	169 Å²	169	123.6 Å²	123.6	90%	0.904	75%	0.745	S	S	*	*			trans	-85.7	129.6	168	-148.3	10.3	0	0	0	109.2
936	P	24.8	Very low	26.4	Very low	104 Å²	104	128.7 Å²	128.7	68%	0.675	75%	0.752	S	S	*	*			trans	-126.7	120.8	150.7	32.1	-17.7	0	0	0	112.1
937	T	23.7	Very low	27	Very low	130 Å²	130	128 Å²	128	80%	0.798	75%	0.748	S	S	*	*			trans	39.8	117.4	142.6	49.6	0	0	0	0	120.9
938	Q	22.7	Very low	27.6	Very low	196 Å²	196	127 Å²	127	92%	0.916	74%	0.743	S	S	*	*			trans	-24.3	121.8	150.4	-68.1	168.2	-14.6	0	0	115.5
939	S	24.9	Very low	28.3	Very low	115 Å²	115	128.4 Å²	128.4	80%	0.804	74%	0.735	S	S	*	*			trans	-141.2	126.3	143.5	61.2	0	0	0	0	110.4
940	T	24.9	Very low	29.3	Very low	119 Å²	119	122.7 Å²	122.7	73%	0.73	72%	0.715	S	S	*	*			trans	-72.3	128.4	-171.9	-34.8	0	0	0	0	111.9	T942	T940-T942 HydrophobicContact CG2-CG2 4.05Å
941	V	27.7	Very low	30.2	Very low	138 Å²	138	122.4 Å²	122.4	84%	0.836	71%	0.707	S	S	*	*			trans	-119.4	102.5	157.6	-179.1	0	0	0	0	108
942	T	29.1	Very low	31.2	Very low	110 Å²	110	121.2 Å²	121.2	68%	0.675	70%	0.695	S	S	*	*			trans	-76.9	117.2	-177.2	23.6	0	0	0	0	111.5	T940 T944	T940-T942 HydrophobicContact CG2-CG2 4.05Å; T942-T944 PolarHBondContact O-N 2.93Å
943	N	33.8	Very low	31.9	Very low	141 Å²	141	120.4 Å²	120.4	75%	0.754	68%	0.681	S	S	*	*			trans	-77.8	108.1	177.2	-92.7	-31.7	0	0	0	111.9	S945	N943-S945 VanDerWaalsContact C-N 3.31Å; N943-S945 PolarHBondContact O-N 3.04Å
944	T	35.9	Very low	33	Very low	108 Å²	108	119.1 Å²	119.1	66%	0.663	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	7.3	-166.4	-0.1	0	0	0	0	116.2	T942	T942-T944 PolarHBondContact O-N 2.93Å
945	S	36.2	Very low	34.3	Very low	78 Å²	78	121.8 Å²	121.8	55%	0.545	66%	0.66	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.8	-36.7	-172.5	54.5	0	0	0	0	114.7	N943 K948	N943-S945 VanDerWaalsContact C-N 3.31Å; N943-S945 PolarHBondContact O-N 3.04Å; S945-K948 PolarHBondContact O-N 3.12Å
946	Y	38.4	Very low	35.1	Very low	199 Å²	199	118.2 Å²	118.2	78%	0.78	64%	0.64	S	S	*	*	H	α-helix	trans	-73.5	-27.3	179.5	-73.3	-87.7	0	0	0	113.2	K948 G950	Y946-K948 VanDerWaalsContact C-N 3.29Å; Y946-K948 PolarHBondContact O-N 2.99Å; Y946-G950 PolarHBondContact O-N 3.48Å
947	L	36.6	Very low	36.2	Very low	111 Å²	111	118.2 Å²	118.2	58%	0.581	63%	0.633	S	S	*	*	H	α-helix	trans	-67	-24.9	174.2	-101	138.9	0	0	0	113.1	K951	L947-K951 WeakPolarHBondContact O-CB 3.5Å; L947-K951 VanDerWaalsContact O-CG 3.22Å; L947-K951 WeakPolarHBondContact O-CG 3.42Å; L947-K951 PolarHBondContact O-N 2.9Å; L947-K951 VanDerWaalsContact O-N 3.15Å
948	K	36.6	Very low	37.3	Very low	155 Å²	155	117 Å²	117	67%	0.674	62%	0.621	S	S	*	*	H	α-helix	trans	-74.5	-37.3	177.5	-79.9	-175.2	176.6	-178.7	0	113	S945 Y946 K951 I952	S945-K948 PolarHBondContact O-N 3.12Å; Y946-K948 VanDerWaalsContact C-N 3.29Å; Y946-K948 PolarHBondContact O-N 2.99Å; K948-K951 PolarHBondContact O-N 3.35Å; K948-I952 WeakPolarHBondContact O-CG1 3.23Å; K948-I952 PolarHBondContact O-N 2.88Å
949	L	37.3	Very low	38.5	Very low	95 Å²	95	112 Å²	112	50%	0.497	60%	0.598	S	S	.	*	H	α-helix	trans	-73.9	-39.5	179.5	-165	72.9	0	0	0	112.1	K951 I952 I953	L949-K951 VanDerWaalsContact C-N 3.3Å; L949-K951 PolarHBondContact O-N 3.49Å; L949-I952 PolarHBondContact O-N 3.34Å; L949-I953 WeakPolarHBondContact O-CG1 3.4Å; L949-I953 PolarHBondContact O-N 2.91Å
950	G	41.1	Very low	39.5	Very low	36 Å²	36	110.2 Å²	110.2	37%	0.371	58%	0.579	S	S	.	*	H	α-helix	trans	-61.7	-37.3	170.7	0	0	0	0	0	112.3	Y946 N954	Y946-G950 PolarHBondContact O-N 3.48Å; G950-N954 WeakPolarHBondContact O-CB 3.31Å; G950-N954 PolarHBondContact O-N 3.26Å
951	K	41.8	Very low	40.7	Very low	140 Å²	140	108 Å²	108	61%	0.609	57%	0.565	S	S	*	*	H	α-helix	trans	-66.7	-35.8	173	-79.5	179.3	179.9	-172.6	0	113.2	L947 K948 L949 F955	L947-K951 WeakPolarHBondContact O-CB 3.5Å; L947-K951 VanDerWaalsContact O-CG 3.22Å; L947-K951 WeakPolarHBondContact O-CG 3.42Å; L947-K951 PolarHBondContact O-N 2.9Å; L947-K951 VanDerWaalsContact O-N 3.15Å; K948-K951 PolarHBondContact O-N 3.35Å; L949-K951 VanDerWaalsContact C-N 3.3Å; L949-K951 PolarHBondContact O-N 3.49Å; K951-F955 WeakPolarHBondContact O-CA 3.37Å; K951-F955 WeakPolarHBondContact O-CB 3.35Å; K951-F955 PolarHBondContact O-N 3.41Å
952	I	43.5	Very low	41.4	Very low	96 Å²	96	104.5 Å²	104.5	49%	0.492	54%	0.544	S	S	.	.	H	α-helix	trans	-69.8	-40.5	176.4	-68.2	163.6	0	0	0	111.3	K948 L949 F955 L956	K948-I952 WeakPolarHBondContact O-CG1 3.23Å; K948-I952 PolarHBondContact O-N 2.88Å; L949-I952 PolarHBondContact O-N 3.34Å; I952-F955 PolarHBondContact O-N 3.47Å; I952-L956 HydrophobicContact CG2-CD1 4.27Å; I952-L956 WeakPolarHBondContact O-CG 3.47Å; I952-L956 PolarHBondContact O-N 2.6Å
953	I	42.6	Very low	42.2	Very low	93 Å²	93	103.2 Å²	103.2	48%	0.477	53%	0.532	S	S	.	.	H	α-helix	trans	-65.9	-46	175	-65.4	169.7	0	0	0	110.1	L949 F955 L956 M957	L949-I953 WeakPolarHBondContact O-CG1 3.4Å; L949-I953 PolarHBondContact O-N 2.91Å; I953-F955 VanDerWaalsContact C-N 3.29Å; I953-F955 PolarHBondContact O-N 2.93Å; I953-L956 PolarHBondContact O-N 3.49Å; I953-M957 HydrophobicContact CG2-CG 4.48Å; I953-M957 WeakPolarHBondContact O-CB 3.35Å; I953-M957 VanDerWaalsContact O-CG 3.32Å; I953-M957 WeakPolarHBondContact O-CG 3.15Å; I953-M957 PolarHBondContact O-N 2.89Å
954	N	46.4	Very low	42.7	Very low	100 Å²	100	101.1 Å²	101.1	54%	0.535	52%	0.518	S	S	.	.	H	α-helix	trans	-65.1	-31.1	173.9	-83.7	-0.7	0	0	0	112.8	G950 N958	G950-N954 WeakPolarHBondContact O-CB 3.31Å; G950-N954 PolarHBondContact O-N 3.26Å; N954-N958 WeakPolarHBondContact O-CB 3.45Å; N954-N958 VanDerWaalsContact O-CG 3.22Å; N954-N958 PolarHBondContact O-N 3.08Å
955	F	49.5	Very low	43.1	Very low	124 Å²	124	101.4 Å²	101.4	54%	0.544	51%	0.511	S	S	.	.	H	α-helix	trans	-67.9	-44.4	174.9	-177.9	-98.7	0	0	0	111	K951 I952 I953 N958 H959	K951-F955 WeakPolarHBondContact O-CA 3.37Å; K951-F955 WeakPolarHBondContact O-CB 3.35Å; K951-F955 PolarHBondContact O-N 3.41Å; I952-F955 PolarHBondContact O-N 3.47Å; I953-F955 VanDerWaalsContact C-N 3.29Å; I953-F955 PolarHBondContact O-N 2.93Å; F955-N958 PolarHBondContact O-N 3.36Å; F955-H959 AromaticContact CD1-CD2 3.79Å; F955-H959 AromaticContact CD2-CD2 3.97Å; F955-H959 AromaticContact CE1-CD2 3.48Å; F955-H959 VanDerWaalsContact CE1-CD2 3.48Å; F955-H959 WeakPolarHBondContact CE1-CD2 3.47Å; F955-H959 AromaticContact CE1-NE2 3.63Å; F955-H959 AromaticContact CE2-CD2 3.68Å; F955-H959 AromaticContact CE2-NE2 3.31Å; F955-H959 VanDerWaalsContact CE2-NE2 3.31Å; F955-H959 WeakPolarHBondContact CE2-NE2 3.27Å; F955-H959 AromaticContact CZ-CD2 3.43Å; F955-H959 VanDerWaalsContact CZ-CD2 3.43Å; F955-H959 WeakPolarHBondContact CZ-CD2 3.21Å; F955-H959 AromaticContact CZ-NE2 3.07Å; F955-H959 WeakPolarHBondContact CZ-NE2 3.34Å; F955-H959 WeakPolarHBondContact O-CB 2.94Å; F955-H959 PolarHBondContact O-CD2 3.09Å; F955-H959 VanDerWaalsContact O-CD2 3.27Å; F955-H959 PolarHBondContact O-N 3.08Å
956	L	39	Very low	43.5	Very low	94 Å²	94	102.5 Å²	102.5	49%	0.492	51%	0.511	S	S	.	.	H	α-helix	trans	-64.9	-40	173.4	-72.5	168.2	0	0	0	112	I952 I953 L960	I952-L956 HydrophobicContact CG2-CD1 4.27Å; I952-L956 WeakPolarHBondContact O-CG 3.47Å; I952-L956 PolarHBondContact O-N 2.6Å; I953-L956 PolarHBondContact O-N 3.49Å; L956-L960 WeakPolarHBondContact O-CB 3.41Å; L956-L960 PolarHBondContact O-N 3.43Å
957	M	48.2	Very low	43.8	Very low	105 Å²	105	96.5 Å²	96.5	52%	0.517	49%	0.492	S	S	.	.	H	α-helix	trans	-68.8	-39.5	175.3	-67.8	-152.3	102.7	0	0	112.4	I953 L960 V961	I953-M957 HydrophobicContact CG2-CG 4.48Å; I953-M957 WeakPolarHBondContact O-CB 3.35Å; I953-M957 VanDerWaalsContact O-CG 3.32Å; I953-M957 WeakPolarHBondContact O-CG 3.15Å; I953-M957 PolarHBondContact O-N 2.89Å; M957-L960 WeakPolarHBondContact O-CB 2.89Å; M957-L960 PolarHBondContact O-N 2.85Å; M957-V961 VanDerWaalsContact O-CG2 3.3Å; M957-V961 WeakPolarHBondContact O-CG2 3.17Å; M957-V961 PolarHBondContact O-N 2.86Å
958	N	47.4	Very low	44.2	Very low	103 Å²	103	95.4 Å²	95.4	55%	0.551	49%	0.486	S	S	*	.	H	α-helix	trans	-66.8	-38.8	174.8	-78.6	-6.5	0	0	0	111.3	N954 F955 L960 V961 V962	N954-N958 WeakPolarHBondContact O-CB 3.45Å; N954-N958 VanDerWaalsContact O-CG 3.22Å; N954-N958 PolarHBondContact O-N 3.08Å; F955-N958 PolarHBondContact O-N 3.36Å; N958-L960 VanDerWaalsContact C-N 3.34Å; N958-V961 PolarHBondContact O-N 3.49Å; N958-V962 WeakPolarHBondContact O-CB 3.44Å; N958-V962 WeakPolarHBondContact O-CG2 3.18Å; N958-V962 PolarHBondContact O-N 3.36Å
959	H	47.3	Very low	44.5	Very low	91 Å²	91	96.2 Å²	96.2	42%	0.421	49%	0.492	S	S	.	.	H	α-helix	trans	-66.8	-34.5	173	-86.2	-72.6	0	0	0	112.5	F955 V962 I963	F955-H959 AromaticContact CD1-CD2 3.79Å; F955-H959 AromaticContact CD2-CD2 3.97Å; F955-H959 AromaticContact CE1-CD2 3.48Å; F955-H959 VanDerWaalsContact CE1-CD2 3.48Å; F955-H959 WeakPolarHBondContact CE1-CD2 3.47Å; F955-H959 AromaticContact CE1-NE2 3.63Å; F955-H959 AromaticContact CE2-CD2 3.68Å; F955-H959 AromaticContact CE2-NE2 3.31Å; F955-H959 VanDerWaalsContact CE2-NE2 3.31Å; F955-H959 WeakPolarHBondContact CE2-NE2 3.27Å; F955-H959 AromaticContact CZ-CD2 3.43Å; F955-H959 VanDerWaalsContact CZ-CD2 3.43Å; F955-H959 WeakPolarHBondContact CZ-CD2 3.21Å; F955-H959 AromaticContact CZ-NE2 3.07Å; F955-H959 WeakPolarHBondContact CZ-NE2 3.34Å; F955-H959 WeakPolarHBondContact O-CB 2.94Å; F955-H959 PolarHBondContact O-CD2 3.09Å; F955-H959 VanDerWaalsContact O-CD2 3.27Å; F955-H959 PolarHBondContact O-N 3.08Å; H959-V962 PolarHBondContact O-N 3.47Å; H959-I963 WeakPolarHBondContact O-CB 3.4Å; H959-I963 WeakPolarHBondContact O-CD1 3.4Å; H959-I963 WeakPolarHBondContact O-CG1 3.41Å; H959-I963 PolarHBondContact O-N 3.02Å
960	L	46.4	Very low	44.5	Very low	78 Å²	78	99.9 Å²	99.9	41%	0.408	51%	0.505	S	S	.	.	H	α-helix	trans	-66.7	-40.4	171.7	-87.5	157.7	0	0	0	112.6	L848 L956 M957 N958 I963 H964	L848-L960 HydrophobicContact CD2-CD2 3.66Å; L956-L960 WeakPolarHBondContact O-CB 3.41Å; L956-L960 PolarHBondContact O-N 3.43Å; M957-L960 WeakPolarHBondContact O-CB 2.89Å; M957-L960 PolarHBondContact O-N 2.85Å; N958-L960 VanDerWaalsContact C-N 3.34Å; L960-I963 PolarHBondContact O-N 3.34Å; L960-H964 VanDerWaalsContact O-CB 3.31Å; L960-H964 WeakPolarHBondContact O-CB 3.41Å; L960-H964 PolarHBondContact O-N 2.98Å
961	V	49.2	Very low	44.5	Very low	74 Å²	74	106.5 Å²	106.5	45%	0.448	52%	0.523	S	S	.	.	H	α-helix	trans	-67.7	-37.9	173.8	171.7	0	0	0	0	110.9	M957 N958 H964 Q965	M957-V961 VanDerWaalsContact O-CG2 3.3Å; M957-V961 WeakPolarHBondContact O-CG2 3.17Å; M957-V961 PolarHBondContact O-N 2.86Å; N958-V961 PolarHBondContact O-N 3.49Å; V961-H964 CarbonylContact O-C 3.42Å; V961-H964 PolarHBondContact O-N 3.18Å; V961-Q965 HydrophobicContact CG1-CG 4.44Å; V961-Q965 WeakPolarHBondContact O-CB 3.3Å; V961-Q965 WeakPolarHBondContact O-CG 3.28Å; V961-Q965 PolarHBondContact O-N 3Å
962	V	44.1	Very low	44.6	Very low	63 Å²	63	104.9 Å²	104.9	38%	0.382	52%	0.519	S	S	.	.	H	α-helix	trans	-68.5	-39.4	175.1	169	0	0	0	0	111	N958 H959 H964 Q965 L966	N958-V962 WeakPolarHBondContact O-CB 3.44Å; N958-V962 WeakPolarHBondContact O-CG2 3.18Å; N958-V962 PolarHBondContact O-N 3.36Å; H959-V962 PolarHBondContact O-N 3.47Å; V962-H964 VanDerWaalsContact C-N 3.32Å; V962-Q965 PolarHBondContact O-N 3.49Å; V962-L966 HydrophobicContact CG1-CD1 3.83Å; V962-L966 HydrophobicContact CG1-CG 4.24Å; V962-L966 VanDerWaalsContact O-CB 3.25Å; V962-L966 WeakPolarHBondContact O-CB 3.48Å; V962-L966 WeakPolarHBondContact O-CG 3.28Å; V962-L966 PolarHBondContact O-N 3.03Å
963	I	45.7	Very low	44.7	Very low	84 Å²	84	105.3 Å²	105.3	43%	0.431	52%	0.52	S	S	.	.	H	α-helix	trans	-63.9	-41.2	172	-70.4	163.3	0	0	0	110.2	H959 L960 L966 L967	H959-I963 WeakPolarHBondContact O-CB 3.4Å; H959-I963 WeakPolarHBondContact O-CD1 3.4Å; H959-I963 WeakPolarHBondContact O-CG1 3.41Å; H959-I963 PolarHBondContact O-N 3.02Å; L960-I963 PolarHBondContact O-N 3.34Å; I963-L966 PolarHBondContact O-N 3.09Å; I963-L967 HydrophobicContact CG2-CD1 4.01Å; I963-L967 WeakPolarHBondContact O-CB 3.31Å; I963-L967 WeakPolarHBondContact O-CD1 3.47Å; I963-L967 VanDerWaalsContact O-CG 3.25Å; I963-L967 WeakPolarHBondContact O-CG 3.49Å; I963-L967 PolarHBondContact O-N 3.24Å
964	H	43.7	Very low	44.8	Very low	97 Å²	97	106 Å²	106	45%	0.449	52%	0.523	S	S	.	.	H	α-helix	trans	-66.3	-37.8	175.2	-170.9	64.3	0	0	0	112.8	L960 V961 V962 N968	L960-H964 VanDerWaalsContact O-CB 3.31Å; L960-H964 WeakPolarHBondContact O-CB 3.41Å; L960-H964 PolarHBondContact O-N 2.98Å; V961-H964 CarbonylContact O-C 3.42Å; V961-H964 PolarHBondContact O-N 3.18Å; V962-H964 VanDerWaalsContact C-N 3.32Å; H964-N968 WeakPolarHBondContact O-CB 3.36Å; H964-N968 PolarHBondContact O-N 3.21Å
965	Q	45.1	Very low	44.7	Very low	114 Å²	114	106.4 Å²	106.4	53%	0.533	52%	0.522	S	S	.	.	H	α-helix	trans	-73.2	-37.9	175	-83.4	178.7	-36.6	0	0	112.4	V961 V962 L967 N968 Q969	V961-Q965 HydrophobicContact CG1-CG 4.44Å; V961-Q965 WeakPolarHBondContact O-CB 3.3Å; V961-Q965 WeakPolarHBondContact O-CG 3.28Å; V961-Q965 PolarHBondContact O-N 3Å; V962-Q965 PolarHBondContact O-N 3.49Å; Q965-L967 VanDerWaalsContact C-N 3.32Å; Q965-N968 CarbonylContact O-C 3.58Å; Q965-N968 PolarHBondContact O-N 3.27Å; Q965-Q969 WeakPolarHBondContact O-CB 3.29Å; Q965-Q969 PolarHBondContact O-N 3.47Å
966	L	44.5	Very low	44.4	Very low	101 Å²	101	105.3 Å²	105.3	53%	0.529	52%	0.521	S	S	.	.	H	α-helix	trans	-63.4	-41	172.6	-77.2	167.9	0	0	0	110.3	V962 I963 N968 Q969 F970	V962-L966 HydrophobicContact CG1-CD1 3.83Å; V962-L966 HydrophobicContact CG1-CG 4.24Å; V962-L966 VanDerWaalsContact O-CB 3.25Å; V962-L966 WeakPolarHBondContact O-CB 3.48Å; V962-L966 WeakPolarHBondContact O-CG 3.28Å; V962-L966 PolarHBondContact O-N 3.03Å; I963-L966 PolarHBondContact O-N 3.09Å; L966-N968 VanDerWaalsContact C-N 3.33Å; L966-N968 PolarHBondContact O-N 3.42Å; L966-Q969 PolarHBondContact O-N 2.72Å; L966-F970 WeakPolarHBondContact O-CB 3.46Å; L966-F970 PolarHBondContact O-N 3.19Å
967	L	43.5	Very low	44.8	Very low	73 Å²	73	106 Å²	106	38%	0.382	52%	0.523	S	S	.	.	H	α-helix	trans	-65.8	-32.5	172.7	-76.4	165.2	0	0	0	112.9	I844 I963 Q965 K971	I844-L967 HydrophobicContact CD1-CD1 4.46Å; I963-L967 HydrophobicContact CG2-CD1 4.01Å; I963-L967 WeakPolarHBondContact O-CB 3.31Å; I963-L967 WeakPolarHBondContact O-CD1 3.47Å; I963-L967 VanDerWaalsContact O-CG 3.25Å; I963-L967 WeakPolarHBondContact O-CG 3.49Å; I963-L967 PolarHBondContact O-N 3.24Å; Q965-L967 VanDerWaalsContact C-N 3.32Å; L967-K971 PolarHBondContact O-N 3.35Å
968	N	44.5	Very low	44.5	Very low	88 Å²	88	106.1 Å²	106.1	47%	0.471	52%	0.523	S	S	.	.	H	α-helix	trans	-80.8	-24.2	174.4	-88.2	-15	0	0	0	114	H964 Q965 L966	H964-N968 WeakPolarHBondContact O-CB 3.36Å; H964-N968 PolarHBondContact O-N 3.21Å; Q965-N968 CarbonylContact O-C 3.58Å; Q965-N968 PolarHBondContact O-N 3.27Å; L966-N968 VanDerWaalsContact C-N 3.33Å; L966-N968 PolarHBondContact O-N 3.42Å
969	Q	43	Very low	44.3	Very low	171 Å²	171	106.3 Å²	106.3	80%	0.799	52%	0.521	S	S	*	.	H	α-helix	trans	-85.2	-25.5	174	-82.1	-124	-30.5	0	0	112.8	Q965 L966 K971	Q965-Q969 WeakPolarHBondContact O-CB 3.29Å; Q965-Q969 PolarHBondContact O-N 3.47Å; L966-Q969 PolarHBondContact O-N 2.72Å; Q969-K971 VanDerWaalsContact C-N 3.29Å
970	F	38.6	Very low	44.1	Very low	173 Å²	173	107.6 Å²	107.6	76%	0.759	53%	0.529	S	S	*	.			trans	-76.4	-19.8	170.3	-112.5	-86.4	0	0	0	113.1	L966	L966-F970 WeakPolarHBondContact O-CB 3.46Å; L966-F970 PolarHBondContact O-N 3.19Å
971	K	40.6	Very low	43.9	Very low	175 Å²	175	110.3 Å²	110.3	76%	0.761	54%	0.54	S	S	*	.			trans	-79	0	170.4	-137.4	-174.5	-172.6	-175.4	0	109.4	L967 Q969	L967-K971 PolarHBondContact O-N 3.35Å; Q969-K971 VanDerWaalsContact C-N 3.29Å

Retrieved 971 of 971 residues in 743.3 ms (Link to these results)

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